*HEADER    TRANSPORT PROTEIN                       15-FEB-08   2K0X              
*TITLE     THE ACTINORHODIN HOLO ACYL CARRIER PROTEIN FROM S.                    
*TITLE    2 COELICOLOR                                                           
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ACTINORHODIN POLYKETIDE SYNTHASE ACYL CARRIER              
*COMPND   3 PROTEIN;                                                             
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 SYNONYM: ACP, ACTI ORF3;                                             
*COMPND   6 ENGINEERED: YES;                                                     
*COMPND   7 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: STREPTOMYCES COELICOLOR;                        
*SOURCE   3 STRAIN: A3(2);                                                       
*SOURCE   4 GENE: ACTI;                                                          
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21;                                      
*SOURCE   7 EXPRESSION_SYSTEM_VARIANT: DE3;                                      
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR: PET11C;                                    
*SOURCE   9 OTHER_DETAILS: ACTINORHODIN ACYL CARRIER PROTEIN (ACT ACP)           
*SOURCE  10 FROM S. COELICOLOR WAS HETEROLOGOUSLY OVEREXPRESSED IN ITS           
*SOURCE  11 APO FORM IN E. COLI BL21 (DE3) CELLS. THESE CELLS                    
*SOURCE  12 CONTAINED THE PLASMID PET11C C17S ACT ACP (COURTESY OF DR.           
*SOURCE  13 TOM NICHOLSON). THIS IPTG INDUCIBLE VECTOR IS BOTH EASIER            
*SOURCE  14 TO USE AND MORE RELIABLE THAN THE HEAT INDUCIBLE PT7-7               
*SOURCE  15 VERSION ORIGINALLY CONSTRUCTED. THE PROTEIN WAS MODIFIED             
*SOURCE  16 TO THE HOLO FORM USING S. COELICOLOR ACPS AND ENZYME COA.            
*KEYWDS    ACYL CARRIER PROTEIN, POLYKETIDE, HOLO, PHOSPHOPANTETHEINE,           
*KEYWDS   2 ANTIBIOTIC BIOSYNTHESIS, TRANSPORT PROTEIN                           
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    M.P.CRUMP, S.E.EVANS, C.WILLIAMS                                      
*REVDAT   1   16-SEP-08 2K0X    0                                                


 ASSI {   26}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 79   and name HD22))
      4.000     2.000     2.000 peak    26 spectrum    1 weight  0.10000E+01 volume  0.65077E-03 ppm1      4.487 ppm2      7.673 CV     1
 OR {   26}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
 ASSI {   28}
   (( segid "    " and resid 76   and name HB1 ))
   (( segid "    " and resid 73   and name HA  ))
      3.200     1.300     1.300 peak    28 spectrum    1 weight  0.10000E+01 volume  0.14180E-02 ppm1      2.776 ppm2      4.246 CV     1
 OR {   28}
   (( segid "    " and resid 76   and name HB1 ))
   (( segid "    " and resid 77   and name HA  ))
 ASSI {   29}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 73   and name HA  ))
      3.100     1.200     1.200 peak    29 spectrum    1 weight  0.10000E+01 volume  0.22254E-02 ppm1      2.720 ppm2      4.244 CV     1
 OR {   29}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 77   and name HA  ))
 ASSI {   40}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 73   and name HB1 ))
      2.300     0.700     0.700 peak    40 spectrum    1 weight  0.10000E+01 volume  0.83330E-02 ppm1      4.238 ppm2      2.484 CV     1
 OR {   40}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HG2 ))
 OR {   40}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 73   and name HG2 ))
 ASSI {   41}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HB1 ))
      2.800     1.000     1.000 peak    41 spectrum    1 weight  0.10000E+01 volume  0.58755E-02 ppm1      4.234 ppm2      2.341 CV     1
 OR {   41}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 46   and name HB2 ))
 OR {   41}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 46   and name HB1 ))
 ASSI {   42}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HB2 ))
      2.200     0.600     0.600 peak    42 spectrum    1 weight  0.10000E+01 volume  0.10549E-01 ppm1      4.237 ppm2      2.199 CV     1
 OR {   42}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HB1 ))
 ASSI {   46}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
      2.600     0.900     0.900 peak    46 spectrum    1 weight  0.10000E+01 volume  0.48672E-02 ppm1      4.239 ppm2      8.113 CV     1
 OR {   46}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
 ASSI {   47}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      3.200     1.300     1.300 peak    47 spectrum    1 weight  0.10000E+01 volume  0.22804E-02 ppm1      4.237 ppm2      8.226 CV     1
 OR {   47}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
 OR {   47}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
 ASSI {   78}
   (( segid "    " and resid 35   and name HZ  ))
   (  segid "    " and resid 14   and name HD1%)
      4.500     2.500     1.500 peak    78 spectrum    1 weight  0.10000E+01 volume  0.35910E-03 ppm1      6.891 ppm2      0.766 CV     1
 OR {   78}
   (( segid "    " and resid 35   and name HZ  ))
   (  segid "    " and resid 75   and name HD1%)
 OR {   78}
   (( segid "    " and resid 35   and name HZ  ))
   (  segid "    " and resid 31   and name HD2%)
 ASSI {   81}
   (( segid "    " and resid 35   and name HZ  ))
   (( segid "    " and resid 74   and name HB1 ))
      4.500     2.500     1.500 peak    81 spectrum    1 weight  0.10000E+01 volume  0.20974E-03 ppm1      6.872 ppm2      2.422 CV     1
 OR {   81}
   (( segid "    " and resid 35   and name HZ  ))
   (( segid "    " and resid 68   and name HB  ))
 ASSI {   84}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 30   and name HN  ))
      4.000     2.000     2.000 peak    84 spectrum    1 weight  0.10000E+01 volume  0.52039E-03 ppm1      7.216 ppm2      8.052 CV     1
 OR {   84}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 30   and name HN  ))
 OR {   84}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 32   and name HN  ))
 ASSI {   86}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 14   and name HD2%)
      3.000     1.100     1.100 peak    86 spectrum    1 weight  0.10000E+01 volume  0.19952E-02 ppm1      6.741 ppm2      0.875 CV     1
 OR {   86}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 38   and name HD1%)
 ASSI {   88}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 46   and name HA  ))
      2.700     0.900     0.900 peak    88 spectrum    1 weight  0.10000E+01 volume  0.51784E-02 ppm1      1.528 ppm2      4.262 CV     1
 OR {   88}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 50   and name HA  ))
 OR {   88}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 47   and name HA  ))
 ASSI {   91}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 61   and name HD1 ))
      3.500     1.500     1.500 peak    91 spectrum    1 weight  0.10000E+01 volume  0.27698E-02 ppm1      1.023 ppm2      4.003 CV     1
 OR {   91}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 65   and name HA  ))
 ASSI {   92}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 78   and name HA  ))
      4.700     2.800     1.300 peak    92 spectrum    1 weight  0.10000E+01 volume  0.64892E-03 ppm1      1.024 ppm2      3.740 CV     1
 OR {   92}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 59   and name HB2 ))
 ASSI {   97}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HB2 ))
      2.500     0.800     0.800 peak    97 spectrum    1 weight  0.10000E+01 volume  0.64037E-02 ppm1      4.210 ppm2      1.564 CV     1
 OR {   97}
   (( segid "    " and resid 82   and name HA  ))
   (  segid "    " and resid 85   and name HB% )
 ASSI {  104}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 82   and name HA  ))
      4.000     2.000     2.000 peak   104 spectrum    1 weight  0.10000E+01 volume  0.15330E-02 ppm1      0.980 ppm2      4.219 CV     1
 OR {  104}
   (( segid "    " and resid 74   and name HG  ))
   (( segid "    " and resid 71   and name HA  ))
 ASSI {  108}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 4    and name HA  ))
      2.400     0.700     0.700 peak   108 spectrum    1 weight  0.10000E+01 volume  0.28788E-02 ppm1      0.981 ppm2      4.365 CV     1
 ASSI {  113}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 74   and name HD2%)
      2.100     2.100     3.900 peak   113 spectrum    1 weight  0.10000E+01 volume  0.68307E-02 ppm1      0.794 ppm2      1.060 CV     1
 OR {  113}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 52   and name HD2%)
 OR {  113}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 74   and name HD1%)
 ASSI {  114}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 77   and name HD1%)
      2.900     1.000     1.000 peak   114 spectrum    1 weight  0.10000E+01 volume  0.52143E-02 ppm1      0.793 ppm2      0.989 CV     1
 OR {  114}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 82   and name HD1%)
 OR {  114}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 58   and name HG2%)
 OR {  114}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 82   and name HD2%)
 ASSI {  117}
   (  segid "    " and resid 60   and name HD1%)
   (  segid "    " and resid 81   and name HB% )
      3.100     1.200     1.200 peak   117 spectrum    1 weight  0.10000E+01 volume  0.26647E-02 ppm1      0.842 ppm2      1.630 CV     1
 ASSI {  123}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 33   and name HB2 ))
      3.200     1.200     1.200 peak   123 spectrum    1 weight  0.10000E+01 volume  0.18891E-02 ppm1      0.868 ppm2      1.378 CV     1
 OR {  123}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 45   and name HG  ))
 ASSI {  126}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 77   and name HG  ))
      4.100     2.100     1.900 peak   126 spectrum    1 weight  0.10000E+01 volume  0.72587E-03 ppm1      0.794 ppm2      1.824 CV     1
 OR {  126}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 82   and name HG  ))
 ASSI {  127}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 77   and name HB1 ))
      3.800     1.900     1.900 peak   127 spectrum    1 weight  0.10000E+01 volume  0.83537E-03 ppm1      0.844 ppm2      2.036 CV     1
 OR {  127}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 52   and name HG  ))
 OR {  127}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 61   and name HB2 ))
 ASSI {  128}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 52   and name HG  ))
      3.600     1.600     1.600 peak   128 spectrum    1 weight  0.10000E+01 volume  0.50532E-03 ppm1      0.798 ppm2      2.049 CV     1
 OR {  128}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 77   and name HB1 ))
 ASSI {  129}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 71   and name HG1 ))
      3.300     1.400     1.400 peak   129 spectrum    1 weight  0.10000E+01 volume  0.17141E-02 ppm1      0.864 ppm2      2.199 CV     1
 OR {  129}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 52   and name HB1 ))
 OR {  129}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 64   and name HB  ))
 ASSI {  134}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 30   and name HB1 ))
      3.900     1.900     1.900 peak   134 spectrum    1 weight  0.10000E+01 volume  0.56343E-03 ppm1      0.871 ppm2      3.280 CV     1
 OR {  134}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 31   and name HA  ))
 OR {  134}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 41   and name HB1 ))
 ASSI {  137}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 53   and name HG1 ))
      3.300     1.300     1.300 peak   137 spectrum    1 weight  0.10000E+01 volume  0.11013E-02 ppm1      0.852 ppm2      2.772 CV     1
 OR {  137}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 40   and name HB2 ))
 ASSI {  138}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 53   and name HG1 ))
      3.800     1.800     1.800 peak   138 spectrum    1 weight  0.10000E+01 volume  0.88226E-03 ppm1      0.800 ppm2      2.761 CV     1
 OR {  138}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 56   and name HB2 ))
 ASSI {  141}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 50   and name HA  ))
      4.000     2.000     2.000 peak   141 spectrum    1 weight  0.10000E+01 volume  0.71334E-03 ppm1      0.857 ppm2      4.258 CV     1
 OR {  141}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 77   and name HA  ))
 OR {  141}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 71   and name HA  ))
 OR {  141}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 39   and name HA1 ))
 OR {  141}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 46   and name HA  ))
 OR {  141}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 42   and name HA  ))
 ASSI {  143}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 52   and name HA  ))
      3.700     1.700     1.700 peak   143 spectrum    1 weight  0.10000E+01 volume  0.67479E-03 ppm1      0.794 ppm2      4.286 CV     1
 OR {  143}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 77   and name HA  ))
 OR {  143}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 74   and name HA  ))
 ASSI {  147}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 60   and name HA  ))
      3.900     1.900     1.900 peak   147 spectrum    1 weight  0.10000E+01 volume  0.20891E-02 ppm1      0.851 ppm2      4.658 CV     1
 OR {  147}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 38   and name HA  ))
 ASSI {  149}
   (  segid "    " and resid 38   and name HD1%)
   (  segid "    " and resid 30   and name HE% )
      3.500     1.600     1.600 peak   149 spectrum    1 weight  0.10000E+01 volume  0.10934E-02 ppm1      0.873 ppm2      7.213 CV     1
 OR {  149}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 33   and name HN  ))
 ASSI {  153}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 38   and name HN  ))
      4.400     2.400     1.600 peak   153 spectrum    1 weight  0.10000E+01 volume  0.13224E-02 ppm1      0.871 ppm2      7.711 CV     1
 OR {  153}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 39   and name HN  ))
 ASSI {  154}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 78   and name HN  ))
      4.900     3.000     1.100 peak   154 spectrum    1 weight  0.10000E+01 volume  0.33981E-03 ppm1      0.844 ppm2      8.256 CV     1
 OR {  154}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 82   and name HN  ))
 ASSI {  158}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 35   and name HN  ))
      4.500     2.600     1.500 peak   158 spectrum    1 weight  0.10000E+01 volume  0.58325E-03 ppm1      0.868 ppm2      8.463 CV     1
 OR {  158}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 34   and name HN  ))
 ASSI {  159}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 52   and name HN  ))
      3.900     1.900     1.900 peak   159 spectrum    1 weight  0.10000E+01 volume  0.32079E-03 ppm1      0.841 ppm2      8.410 CV     1
 OR {  159}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 80   and name HN  ))
 ASSI {  160}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 52   and name HN  ))
      4.000     2.000     2.000 peak   160 spectrum    1 weight  0.10000E+01 volume  0.42708E-03 ppm1      0.796 ppm2      8.413 CV     1
 OR {  160}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 80   and name HN  ))
 ASSI {  163}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 60   and name HG2%)
      2.900     1.100     1.100 peak   163 spectrum    1 weight  0.10000E+01 volume  0.27886E-02 ppm1      1.523 ppm2      1.038 CV     1
 OR {  163}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 74   and name HD2%)
 OR {  163}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 74   and name HD1%)
 OR {  163}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 52   and name HD2%)
 ASSI {  164}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 60   and name HD1%)
      2.800     1.000     1.000 peak   164 spectrum    1 weight  0.10000E+01 volume  0.28731E-02 ppm1      1.527 ppm2      0.844 CV     1
 OR {  164}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 52   and name HD1%)
 ASSI {  171}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 60   and name HG11))
      3.100     1.200     1.200 peak   171 spectrum    1 weight  0.10000E+01 volume  0.32035E-02 ppm1      1.022 ppm2      1.509 CV     1
 OR {  171}
   (  segid "    " and resid 60   and name HG2%)
   (  segid "    " and resid 49   and name HB% )
 ASSI {  175}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 5    and name HG  ))
      3.000     1.200     1.200 peak   175 spectrum    1 weight  0.10000E+01 volume  0.24129E-02 ppm1      0.866 ppm2      1.591 CV     1
 OR {  175}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 4    and name HB1 ))
 OR {  175}
   (  segid "    " and resid 78   and name HG2%)
   (  segid "    " and resid 83   and name HB% )
 ASSI {  178}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 53   and name HG2 ))
      3.900     1.900     1.900 peak   178 spectrum    1 weight  0.10000E+01 volume  0.95479E-03 ppm1      1.531 ppm2      2.331 CV     1
 OR {  178}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 53   and name HB2 ))
 OR {  178}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 46   and name HB1 ))
 ASSI {  179}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 52   and name HB1 ))
      4.300     2.300     1.700 peak   179 spectrum    1 weight  0.10000E+01 volume  0.99067E-03 ppm1      1.529 ppm2      2.192 CV     1
 OR {  179}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 64   and name HB  ))
 ASSI {  184}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 56   and name HB2 ))
      3.900     1.900     1.900 peak   184 spectrum    1 weight  0.10000E+01 volume  0.82513E-03 ppm1      0.864 ppm2      2.776 CV     1
 OR {  184}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 79   and name HB2 ))
 OR {  184}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 53   and name HG1 ))
 ASSI {  189}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 50   and name HA  ))
      2.100     0.500     0.500 peak   189 spectrum    1 weight  0.10000E+01 volume  0.17354E-01 ppm1      1.648 ppm2      4.252 CV     1
 OR {  189}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 47   and name HA  ))
 ASSI {  192}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 82   and name HN  ))
      3.700     1.700     1.700 peak   192 spectrum    1 weight  0.10000E+01 volume  0.19156E-02 ppm1      0.865 ppm2      8.274 CV     1
 OR {  192}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 78   and name HN  ))
 ASSI {  211}
   (  segid "    " and resid 65   and name HB% )
   (  segid "    " and resid 60   and name HG2%)
      2.300     2.300     3.700 peak   211 spectrum    1 weight  0.10000E+01 volume  0.34185E-02 ppm1      1.392 ppm2      1.036 CV     1
 OR {  211}
   (  segid "    " and resid 65   and name HB% )
   (  segid "    " and resid 64   and name HG2%)
 ASSI {  212}
   (  segid "    " and resid 65   and name HB% )
   (  segid "    " and resid 64   and name HG1%)
      3.200     1.300     1.300 peak   212 spectrum    1 weight  0.10000E+01 volume  0.31581E-02 ppm1      1.388 ppm2      0.983 CV     1
 OR {  212}
   (  segid "    " and resid 65   and name HB% )
   (  segid "    " and resid 77   and name HD1%)
 OR {  212}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 74   and name HG  ))
 OR {  212}
   (  segid "    " and resid 65   and name HB% )
   (  segid "    " and resid 77   and name HD2%)
 ASSI {  218}
   (  segid "    " and resid 13   and name HB% )
   (  segid "    " and resid 48   and name HG2%)
      3.000     1.100     1.100 peak   218 spectrum    1 weight  0.10000E+01 volume  0.54562E-02 ppm1      1.669 ppm2      1.135 CV     1
 OR {  218}
   (  segid "    " and resid 13   and name HB% )
   (  segid "    " and resid 10   and name HD2%)
 OR {  218}
   (  segid "    " and resid 13   and name HB% )
   (  segid "    " and resid 15   and name HG2%)
 ASSI {  227}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 52   and name HG  ))
      2.900     1.000     1.000 peak   227 spectrum    1 weight  0.10000E+01 volume  0.32339E-02 ppm1      1.668 ppm2      2.033 CV     1
 OR {  227}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 12   and name HB2 ))
 OR {  227}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 51   and name HB2 ))
 OR {  227}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 11   and name HB1 ))
 OR {  227}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 11   and name HB2 ))
 ASSI {  228}
   (  segid "    " and resid 81   and name HB% )
   (( segid "    " and resid 58   and name HB  ))
      3.300     1.400     1.400 peak   228 spectrum    1 weight  0.10000E+01 volume  0.33969E-02 ppm1      1.626 ppm2      2.134 CV     1
 OR {  228}
   (  segid "    " and resid 81   and name HB% )
   (( segid "    " and resid 84   and name HB2 ))
 ASSI {  230}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 51   and name HB1 ))
      3.700     1.700     1.700 peak   230 spectrum    1 weight  0.10000E+01 volume  0.14657E-02 ppm1      1.669 ppm2      2.200 CV     1
 OR {  230}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 52   and name HB1 ))
 ASSI {  231}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 40   and name HB2 ))
      2.700     0.900     0.900 peak   231 spectrum    1 weight  0.10000E+01 volume  0.14869E-02 ppm1      1.510 ppm2      2.810 CV     1
 OR {  231}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 62   and name HB1 ))
 ASSI {  232}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 37   and name HB1 ))
      3.200     1.300     1.300 peak   232 spectrum    1 weight  0.10000E+01 volume  0.97733E-03 ppm1      1.058 ppm2      3.092 CV     1
 OR {  232}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 35   and name HB2 ))
 ASSI {  233}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 40   and name HB1 ))
      3.500     1.600     1.600 peak   233 spectrum    1 weight  0.10000E+01 volume  0.94156E-03 ppm1      1.058 ppm2      2.995 CV     1
 OR {  233}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 30   and name HB2 ))
 ASSI {  247}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 45   and name HA  ))
      3.900     1.900     1.900 peak   247 spectrum    1 weight  0.10000E+01 volume  0.84109E-03 ppm1      1.394 ppm2      3.878 CV     1
 OR {  247}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 66   and name HA2 ))
 ASSI {  248}
   (  segid "    " and resid 83   and name HB% )
   (( segid "    " and resid 80   and name HA2 ))
      2.900     1.100     1.100 peak   248 spectrum    1 weight  0.10000E+01 volume  0.27846E-02 ppm1      1.604 ppm2      4.021 CV     1
 OR {  248}
   (  segid "    " and resid 81   and name HB% )
   (( segid "    " and resid 80   and name HA1 ))
 OR {  248}
   (  segid "    " and resid 81   and name HB% )
   (( segid "    " and resid 80   and name HA2 ))
 ASSI {  249}
   (  segid "    " and resid 83   and name HB% )
   (( segid "    " and resid 84   and name HA  ))
      3.600     1.600     1.600 peak   249 spectrum    1 weight  0.10000E+01 volume  0.79197E-03 ppm1      1.602 ppm2      4.391 CV     1
 ASSI {  259}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 38   and name HN  ))
      2.900     1.100     1.100 peak   259 spectrum    1 weight  0.10000E+01 volume  0.22807E-02 ppm1      1.058 ppm2      7.714 CV     1
 OR {  259}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 39   and name HN  ))
 ASSI {  268}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 65   and name HN  ))
      2.200     0.600     0.600 peak   268 spectrum    1 weight  0.10000E+01 volume  0.99672E-02 ppm1      1.393 ppm2      8.224 CV     1
 OR {  268}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 46   and name HN  ))
 ASSI {  279}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 82   and name HN  ))
      4.300     2.300     1.700 peak   279 spectrum    1 weight  0.10000E+01 volume  0.66983E-03 ppm1      0.918 ppm2      8.277 CV     1
 OR {  279}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 78   and name HN  ))
 ASSI {  287}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 20   and name HN  ))
      3.400     1.400     1.400 peak   287 spectrum    1 weight  0.10000E+01 volume  0.10867E-02 ppm1      1.541 ppm2      8.479 CV     1
 OR {  287}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 23   and name HN  ))
 OR {  287}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 15   and name HN  ))
 OR {  287}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 22   and name HN  ))
 ASSI {  304}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 58   and name HA  ))
      3.100     1.200     1.200 peak   304 spectrum    1 weight  0.10000E+01 volume  0.34089E-02 ppm1      0.919 ppm2      4.682 CV     1
 OR {  304}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 60   and name HA  ))
 ASSI {  307}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 19   and name HA2 ))
      3.600     1.600     1.600 peak   307 spectrum    1 weight  0.10000E+01 volume  0.13801E-02 ppm1      1.541 ppm2      4.061 CV     1
 OR {  307}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 19   and name HA1 ))
 OR {  307}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 17   and name HB2 ))
 ASSI {  311}
   (  segid "    " and resid 85   and name HB% )
   (( segid "    " and resid 82   and name HA  ))
      3.000     1.200     1.200 peak   311 spectrum    1 weight  0.10000E+01 volume  0.29273E-02 ppm1      1.569 ppm2      4.214 CV     1
 OR {  311}
   (  segid "    " and resid 85   and name HB% )
   (( segid "    " and resid 86   and name HA  ))
 ASSI {  313}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 17   and name HA  ))
      4.400     2.400     1.600 peak   313 spectrum    1 weight  0.10000E+01 volume  0.70060E-03 ppm1      1.539 ppm2      4.567 CV     1
 OR {  313}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 40   and name HA  ))
 ASSI {  317}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 78   and name HA  ))
      3.300     1.300     1.300 peak   317 spectrum    1 weight  0.10000E+01 volume  0.15599E-02 ppm1      0.919 ppm2      3.741 CV     1
 OR {  317}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 59   and name HB2 ))
 ASSI {  319}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 22   and name HB1 ))
      3.200     3.200     2.800 peak   319 spectrum    1 weight  0.10000E+01 volume  0.55069E-03 ppm1      1.542 ppm2      2.838 CV     1
 OR {  319}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 22   and name HB2 ))
 OR {  319}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 41   and name HB2 ))
 ASSI {  320}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 56   and name HB2 ))
      3.200     1.200     1.200 peak   320 spectrum    1 weight  0.10000E+01 volume  0.25171E-02 ppm1      0.919 ppm2      2.777 CV     1
 OR {  320}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 53   and name HG1 ))
 ASSI {  324}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 68   and name HB  ))
      2.000     0.500     0.500 peak   324 spectrum    1 weight  0.10000E+01 volume  0.11490E-01 ppm1      1.211 ppm2      2.412 CV     1
 OR {  324}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 74   and name HB1 ))
 ASSI {  328}
   (  segid "    " and resid 58   and name HG1%)
   (  segid "    " and resid 81   and name HB% )
      3.300     1.300     1.300 peak   328 spectrum    1 weight  0.10000E+01 volume  0.34392E-02 ppm1      0.918 ppm2      1.617 CV     1
 ASSI {  335}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 74   and name HG  ))
      2.400     0.700     0.700 peak   335 spectrum    1 weight  0.10000E+01 volume  0.56920E-02 ppm1      1.210 ppm2      1.009 CV     1
 OR {  335}
   (  segid "    " and resid 68   and name HG2%)
   (  segid "    " and resid 64   and name HG1%)
 ASSI {  337}
   (  segid "    " and resid 85   and name HB% )
   (  segid "    " and resid 82   and name HD2%)
      2.400     2.400     3.600 peak   337 spectrum    1 weight  0.10000E+01 volume  0.31193E-02 ppm1      1.569 ppm2      0.979 CV     1
 OR {  337}
   (  segid "    " and resid 85   and name HB% )
   (  segid "    " and resid 58   and name HG2%)
 OR {  337}
   (  segid "    " and resid 85   and name HB% )
   (  segid "    " and resid 82   and name HD1%)
 ASSI {  341}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 67   and name HB1 ))
      3.600     1.600     1.600 peak   341 spectrum    1 weight  0.10000E+01 volume  0.71470E-03 ppm1      1.210 ppm2      2.055 CV     1
 OR {  341}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 77   and name HB1 ))
 ASSI {  345}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 77   and name HD1%)
      3.300     3.300     2.700 peak   345 spectrum    1 weight  0.10000E+01 volume  0.28914E-02 ppm1      1.125 ppm2      0.938 CV     1
 OR {  345}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 77   and name HD2%)
 OR {  345}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 58   and name HG1%)
 ASSI {  346}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 52   and name HD1%)
      2.400     0.700     0.700 peak   346 spectrum    1 weight  0.10000E+01 volume  0.72140E-02 ppm1      1.125 ppm2      0.865 CV     1
 OR {  346}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 60   and name HD1%)
 ASSI {  349}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 13   and name HB% )
      2.800     1.000     1.000 peak   349 spectrum    1 weight  0.10000E+01 volume  0.57399E-02 ppm1      1.125 ppm2      1.669 CV     1
 OR {  349}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 45   and name HB1 ))
 OR {  349}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 74   and name HB2 ))
 OR {  349}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 50   and name HB% )
 ASSI {  350}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 52   and name HG  ))
      3.000     1.100     1.100 peak   350 spectrum    1 weight  0.10000E+01 volume  0.21430E-02 ppm1      1.125 ppm2      2.029 CV     1
 OR {  350}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 51   and name HB2 ))
 ASSI {  351}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 14   and name HG  ))
      2.900     1.000     1.000 peak   351 spectrum    1 weight  0.10000E+01 volume  0.27510E-02 ppm1      1.125 ppm2      1.883 CV     1
 OR {  351}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 10   and name HG  ))
 ASSI {  360}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 56   and name HB2 ))
      4.500     2.500     1.500 peak   360 spectrum    1 weight  0.10000E+01 volume  0.96334E-03 ppm1      0.967 ppm2      2.782 CV     1
 OR {  360}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 53   and name HG1 ))
 ASSI {  366}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 51   and name HB1 ))
      4.000     2.000     2.000 peak   366 spectrum    1 weight  0.10000E+01 volume  0.10909E-02 ppm1      1.124 ppm2      2.196 CV     1
 OR {  366}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 52   and name HB1 ))
 OR {  366}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 71   and name HG1 ))
 OR {  366}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 75   and name HB1 ))
 ASSI {  367}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 49   and name HB% )
      3.800     1.800     1.800 peak   367 spectrum    1 weight  0.10000E+01 volume  0.13449E-02 ppm1      1.127 ppm2      1.546 CV     1
 OR {  367}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 10   and name HB2 ))
 ASSI {  370}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 8    and name HB2 ))
      4.400     2.400     1.600 peak   370 spectrum    1 weight  0.10000E+01 volume  0.79252E-03 ppm1      1.414 ppm2      2.712 CV     1
 OR {  370}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 9    and name HB2 ))
 OR {  370}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 8    and name HB1 ))
 ASSI {  376}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 12   and name HA  ))
      3.400     1.500     1.500 peak   376 spectrum    1 weight  0.10000E+01 volume  0.14895E-02 ppm1      1.035 ppm2      4.044 CV     1
 OR {  376}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 19   and name HA2 ))
 OR {  376}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 23   and name HA2 ))
 OR {  376}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 19   and name HA1 ))
 ASSI {  378}
   (  segid "    " and resid 64   and name HG1%)
   (( segid "    " and resid 65   and name HA  ))
      3.400     1.400     1.400 peak   378 spectrum    1 weight  0.10000E+01 volume  0.13928E-02 ppm1      0.975 ppm2      3.989 CV     1
 OR {  378}
   (  segid "    " and resid 64   and name HG1%)
   (( segid "    " and resid 61   and name HD1 ))
 ASSI {  383}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 48   and name HA  ))
      2.400     0.700     0.700 peak   383 spectrum    1 weight  0.10000E+01 volume  0.66373E-02 ppm1      1.125 ppm2      3.954 CV     1
 OR {  383}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 49   and name HA  ))
 ASSI {  384}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 48   and name HB  ))
      2.200     0.600     0.600 peak   384 spectrum    1 weight  0.10000E+01 volume  0.96938E-02 ppm1      1.126 ppm2      4.412 CV     1
 OR {  384}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 14   and name HA  ))
 ASSI {  404}
   (  segid "    " and resid 64   and name HG1%)
   (( segid "    " and resid 64   and name HN  ))
      3.600     1.600     1.600 peak   404 spectrum    1 weight  0.10000E+01 volume  0.25460E-02 ppm1      0.975 ppm2      7.397 CV     1
 OR {  404}
   (  segid "    " and resid 64   and name HG1%)
   (( segid "    " and resid 67   and name HE  ))
 ASSI {  405}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 65   and name HN  ))
      3.900     1.900     1.900 peak   405 spectrum    1 weight  0.10000E+01 volume  0.12319E-02 ppm1      1.036 ppm2      8.222 CV     1
 OR {  405}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 16   and name HN  ))
 OR {  405}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 19   and name HN  ))
 ASSI {  407}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 50   and name HN  ))
      4.800     2.800     1.200 peak   407 spectrum    1 weight  0.10000E+01 volume  0.39338E-03 ppm1      1.125 ppm2      8.223 CV     1
 OR {  407}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 16   and name HN  ))
 OR {  407}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 46   and name HN  ))
 ASSI {  410}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 34   and name HN  ))
      3.600     1.600     1.600 peak   410 spectrum    1 weight  0.10000E+01 volume  0.21167E-02 ppm1      1.071 ppm2      8.456 CV     1
 OR {  410}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 35   and name HN  ))
 ASSI {  412}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 14   and name HN  ))
      3.400     1.500     1.500 peak   412 spectrum    1 weight  0.10000E+01 volume  0.19447E-02 ppm1      1.126 ppm2      8.410 CV     1
 OR {  412}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 52   and name HN  ))
 ASSI {  415}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 23   and name HN  ))
      3.500     1.500     1.500 peak   415 spectrum    1 weight  0.10000E+01 volume  0.72532E-03 ppm1      1.276 ppm2      8.470 CV     1
 OR {  415}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 26   and name HN  ))
 OR {  415}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 35   and name HN  ))
 ASSI {  416}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 22   and name HN  ))
      3.800     1.800     1.800 peak   416 spectrum    1 weight  0.10000E+01 volume  0.98022E-03 ppm1      1.241 ppm2      8.476 CV     1
 OR {  416}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 23   and name HN  ))
 ASSI {  424}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 16   and name HN  ))
      3.700     1.700     1.700 peak   424 spectrum    1 weight  0.10000E+01 volume  0.20449E-02 ppm1      1.112 ppm2      8.221 CV     1
 OR {  424}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 19   and name HN  ))
 ASSI {  436}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 12   and name HA  ))
      2.800     1.000     1.000 peak   436 spectrum    1 weight  0.10000E+01 volume  0.40359E-02 ppm1      1.113 ppm2      4.035 CV     1
 OR {  436}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 19   and name HA2 ))
 ASSI {  443}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 15   and name HB  ))
      2.200     0.600     0.600 peak   443 spectrum    1 weight  0.10000E+01 volume  0.10498E-01 ppm1      1.113 ppm2      2.268 CV     1
 OR {  443}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 73   and name HB2 ))
 ASSI {  456}
   (  segid "    " and resid 74   and name HD2%)
   (  segid "    " and resid 49   and name HB% )
      2.800     1.000     1.000 peak   456 spectrum    1 weight  0.10000E+01 volume  0.31837E-02 ppm1      1.063 ppm2      1.529 CV     1
 OR {  456}
   (  segid "    " and resid 74   and name HD1%)
   (  segid "    " and resid 49   and name HB% )
 OR {  456}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 75   and name HB2 ))
 ASSI {  458}
   (  segid "    " and resid 15   and name HG2%)
   (  segid "    " and resid 26   and name HD2%)
      2.700     0.900     0.900 peak   458 spectrum    1 weight  0.10000E+01 volume  0.35216E-02 ppm1      1.112 ppm2      0.795 CV     1
 OR {  458}
   (  segid "    " and resid 15   and name HG2%)
   (  segid "    " and resid 14   and name HD1%)
 ASSI {  459}
   (  segid "    " and resid 74   and name HD2%)
   (  segid "    " and resid 78   and name HD1%)
      2.700     0.900     0.900 peak   459 spectrum    1 weight  0.10000E+01 volume  0.43077E-02 ppm1      1.065 ppm2      0.790 CV     1
 OR {  459}
   (  segid "    " and resid 74   and name HD1%)
   (  segid "    " and resid 14   and name HD1%)
 OR {  459}
   (  segid "    " and resid 74   and name HD1%)
   (  segid "    " and resid 78   and name HD1%)
 OR {  459}
   (  segid "    " and resid 74   and name HD2%)
   (  segid "    " and resid 75   and name HD1%)
 OR {  459}
   (  segid "    " and resid 74   and name HD1%)
   (  segid "    " and resid 75   and name HD1%)
 ASSI {  463}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 11   and name HN  ))
      3.500     1.500     1.500 peak   463 spectrum    1 weight  0.10000E+01 volume  0.22130E-02 ppm1      1.386 ppm2      8.839 CV     1
 OR {  463}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 7    and name HN  ))
 ASSI {  466}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 75   and name HN  ))
      4.200     2.200     1.800 peak   466 spectrum    1 weight  0.10000E+01 volume  0.77030E-03 ppm1      1.042 ppm2      8.730 CV     1
 OR {  466}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 49   and name HN  ))
 OR {  466}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 49   and name HN  ))
 ASSI {  471}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 52   and name HN  ))
      3.200     1.300     1.300 peak   471 spectrum    1 weight  0.10000E+01 volume  0.27519E-02 ppm1      1.039 ppm2      8.410 CV     1
 OR {  471}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 14   and name HN  ))
 ASSI {  472}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 26   and name HN  ))
      3.900     1.900     1.900 peak   472 spectrum    1 weight  0.10000E+01 volume  0.12714E-02 ppm1      0.692 ppm2      8.457 CV     1
 OR {  472}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 15   and name HN  ))
 ASSI {  474}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 10   and name HN  ))
      4.000     2.000     2.000 peak   474 spectrum    1 weight  0.10000E+01 volume  0.17214E-02 ppm1      1.041 ppm2      8.077 CV     1
 OR {  474}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 55   and name HN  ))
 ASSI {  476}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 83   and name HN  ))
      3.100     1.200     1.200 peak   476 spectrum    1 weight  0.10000E+01 volume  0.66188E-03 ppm1      0.984 ppm2      7.964 CV     1
 OR {  476}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 57   and name HN  ))
 ASSI {  479}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 82   and name HN  ))
      5.100     3.300     0.900 peak   479 spectrum    1 weight  0.10000E+01 volume  0.54519E-03 ppm1      0.880 ppm2      8.280 CV     1
 OR {  479}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 78   and name HN  ))
 ASSI {  481}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 30   and name HN  ))
      4.400     2.500     1.600 peak   481 spectrum    1 weight  0.10000E+01 volume  0.85497E-03 ppm1      0.454 ppm2      8.055 CV     1
 OR {  481}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 32   and name HN  ))
 ASSI {  485}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 46   and name HN  ))
      5.000     3.200     1.000 peak   485 spectrum    1 weight  0.10000E+01 volume  0.43696E-03 ppm1      0.234 ppm2      8.234 CV     1
 OR {  485}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 65   and name HN  ))
 ASSI {  492}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 67   and name HN  ))
      3.800     1.800     1.800 peak   492 spectrum    1 weight  0.10000E+01 volume  0.19485E-02 ppm1      1.131 ppm2      7.479 CV     1
 OR {  492}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 70   and name HN  ))
 ASSI {  494}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 13   and name HN  ))
      4.100     2.100     1.900 peak   494 spectrum    1 weight  0.10000E+01 volume  0.77956E-03 ppm1      1.040 ppm2      7.711 CV     1
 OR {  494}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 74   and name HN  ))
 ASSI {  509}
   (  segid "    " and resid 31   and name HD1%)
   (  segid "    " and resid 30   and name HE% )
      3.000     1.100     1.100 peak   509 spectrum    1 weight  0.10000E+01 volume  0.21932E-02 ppm1      0.452 ppm2      7.214 CV     1
 OR {  509}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 33   and name HN  ))
 ASSI {  512}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 35   and name HE% )
      3.400     1.400     1.400 peak   512 spectrum    1 weight  0.10000E+01 volume  0.14466E-02 ppm1      0.236 ppm2      6.942 CV     1
 OR {  512}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 40   and name HD% )
 ASSI {  514}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 72   and name HH21))
      4.900     3.000     1.100 peak   514 spectrum    1 weight  0.10000E+01 volume  0.63656E-03 ppm1      0.452 ppm2      6.910 CV     1
 OR {  514}
   (  segid "    " and resid 31   and name HD1%)
   (  segid "    " and resid 35   and name HE% )
 OR {  514}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 35   and name HZ  ))
 OR {  514}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 72   and name HH22))
 OR {  514}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 72   and name HH11))
 ASSI {  521}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 14   and name HA  ))
      4.000     2.000     2.000 peak   521 spectrum    1 weight  0.10000E+01 volume  0.95522E-03 ppm1      1.040 ppm2      4.414 CV     1
 OR {  521}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 13   and name HA  ))
 OR {  521}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 48   and name HB  ))
 OR {  521}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 13   and name HA  ))
 ASSI {  524}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 75   and name HA  ))
      3.500     1.600     1.600 peak   524 spectrum    1 weight  0.10000E+01 volume  0.14743E-02 ppm1      1.042 ppm2      3.893 CV     1
 OR {  524}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 7    and name HA  ))
 ASSI {  525}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 58   and name HA  ))
      3.100     1.200     1.200 peak   525 spectrum    1 weight  0.10000E+01 volume  0.58750E-03 ppm1      0.987 ppm2      4.678 CV     1
 OR {  525}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 56   and name HA  ))
 ASSI {  526}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 4    and name HA  ))
      2.900     1.100     1.100 peak   526 spectrum    1 weight  0.10000E+01 volume  0.77662E-02 ppm1      0.882 ppm2      4.365 CV     1
 OR {  526}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 3    and name HA  ))
 ASSI {  529}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 7    and name HA  ))
      3.700     1.700     1.700 peak   529 spectrum    1 weight  0.10000E+01 volume  0.90790E-03 ppm1      0.452 ppm2      3.871 CV     1
 OR {  529}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 75   and name HA  ))
 ASSI {  533}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 45   and name HA  ))
      3.000     1.100     1.100 peak   533 spectrum    1 weight  0.10000E+01 volume  0.38479E-02 ppm1      0.238 ppm2      3.896 CV     1
 OR {  533}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 66   and name HA2 ))
 ASSI {  540}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 42   and name HA  ))
      4.500     2.500     1.500 peak   540 spectrum    1 weight  0.10000E+01 volume  0.86864E-03 ppm1      0.353 ppm2      4.279 CV     1
 OR {  540}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 46   and name HA  ))
 ASSI {  547}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 40   and name HB1 ))
      4.100     2.100     1.900 peak   547 spectrum    1 weight  0.10000E+01 volume  0.64620E-03 ppm1      0.236 ppm2      3.019 CV     1
 OR {  547}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 69   and name HB1 ))
 ASSI {  548}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 40   and name HB2 ))
      3.500     1.500     1.500 peak   548 spectrum    1 weight  0.10000E+01 volume  0.10720E-02 ppm1      0.239 ppm2      2.789 CV     1
 OR {  548}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 71   and name HD2 ))
 OR {  548}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 76   and name HB1 ))
 ASSI {  549}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 68   and name HB  ))
      4.500     2.500     1.500 peak   549 spectrum    1 weight  0.10000E+01 volume  0.68051E-03 ppm1      0.240 ppm2      2.411 CV     1
 OR {  549}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 74   and name HB1 ))
 ASSI {  553}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 55   and name HD2 ))
      3.400     1.500     1.500 peak   553 spectrum    1 weight  0.10000E+01 volume  0.11786E-02 ppm1      1.039 ppm2      3.024 CV     1
 OR {  553}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 9    and name HB1 ))
 OR {  553}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 9    and name HB1 ))
 ASSI {  555}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 68   and name HB  ))
      2.100     0.500     0.500 peak   555 spectrum    1 weight  0.10000E+01 volume  0.11627E-01 ppm1      1.131 ppm2      2.412 CV     1
 OR {  555}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 74   and name HB1 ))
 ASSI {  558}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 67   and name HB2 ))
      3.500     1.500     1.500 peak   558 spectrum    1 weight  0.10000E+01 volume  0.11906E-02 ppm1      1.131 ppm2      1.883 CV     1
 OR {  558}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 72   and name HB1 ))
 ASSI {  565}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 72   and name HB1 ))
      3.800     1.800     1.800 peak   565 spectrum    1 weight  0.10000E+01 volume  0.14812E-02 ppm1      0.453 ppm2      1.870 CV     1
 OR {  565}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 10   and name HG  ))
 ASSI {  571}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 45   and name HB2 ))
      3.200     1.300     1.300 peak   571 spectrum    1 weight  0.10000E+01 volume  0.35152E-02 ppm1      0.357 ppm2      1.503 CV     1
 OR {  571}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 44   and name HB% )
 ASSI {  577}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 14   and name HB1 ))
      3.600     1.600     1.600 peak   577 spectrum    1 weight  0.10000E+01 volume  0.94820E-03 ppm1      0.692 ppm2      1.992 CV     1
 OR {  577}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 71   and name HB2 ))
 ASSI {  578}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 13   and name HB% )
      4.000     2.000     2.000 peak   578 spectrum    1 weight  0.10000E+01 volume  0.11092E-02 ppm1      0.761 ppm2      1.671 CV     1
 OR {  578}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 45   and name HB1 ))
 OR {  578}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 74   and name HB2 ))
 ASSI {  581}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 4    and name HB1 ))
      3.000     1.100     1.100 peak   581 spectrum    1 weight  0.10000E+01 volume  0.64282E-02 ppm1      0.881 ppm2      1.607 CV     1
 OR {  581}
   (  segid "    " and resid 4    and name HD1%)
   (  segid "    " and resid 83   and name HB% )
 ASSI {  585}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 52   and name HG  ))
      2.300     0.700     0.700 peak   585 spectrum    1 weight  0.10000E+01 volume  0.59311E-02 ppm1      1.036 ppm2      2.035 CV     1
 OR {  585}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 52   and name HG  ))
 ASSI {  586}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 10   and name HG  ))
      2.200     0.600     0.600 peak   586 spectrum    1 weight  0.10000E+01 volume  0.10382E-01 ppm1      1.044 ppm2      1.888 CV     1
 OR {  586}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 55   and name HB1 ))
 ASSI {  587}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 52   and name HB1 ))
      2.800     1.000     1.000 peak   587 spectrum    1 weight  0.10000E+01 volume  0.23807E-02 ppm1      1.036 ppm2      2.213 CV     1
 OR {  587}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 75   and name HB1 ))
 ASSI {  588}
   (  segid "    " and resid 52   and name HD2%)
   (  segid "    " and resid 13   and name HB% )
      2.200     0.600     0.600 peak   588 spectrum    1 weight  0.10000E+01 volume  0.12920E-01 ppm1      1.039 ppm2      1.672 CV     1
 OR {  588}
   (  segid "    " and resid 10   and name HD1%)
   (  segid "    " and resid 13   and name HB% )
 ASSI {  589}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 10   and name HB2 ))
      2.400     0.700     0.700 peak   589 spectrum    1 weight  0.10000E+01 volume  0.68312E-02 ppm1      1.042 ppm2      1.557 CV     1
 OR {  589}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 75   and name HB2 ))
 OR {  589}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 5    and name HG  ))
 OR {  589}
   (  segid "    " and resid 52   and name HD2%)
   (  segid "    " and resid 49   and name HB% )
 ASSI {  590}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 52   and name HB2 ))
      3.000     1.100     1.100 peak   590 spectrum    1 weight  0.10000E+01 volume  0.44645E-02 ppm1      1.039 ppm2      1.451 CV     1
 OR {  590}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 14   and name HB2 ))
 ASSI {  591}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 38   and name HG2%)
      2.700     0.900     0.900 peak   591 spectrum    1 weight  0.10000E+01 volume  0.48205E-02 ppm1      0.693 ppm2      1.055 CV     1
 OR {  591}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 33   and name HD2%)
 OR {  591}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 10   and name HD1%)
 ASSI {  594}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 10   and name HD1%)
      3.200     1.300     1.300 peak   594 spectrum    1 weight  0.10000E+01 volume  0.18833E-02 ppm1      0.760 ppm2      1.035 CV     1
 OR {  594}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 52   and name HD2%)
 OR {  594}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 15   and name HG1%)
 ASSI {  598}
   (  segid "    " and resid 31   and name HD1%)
   (  segid "    " and resid 75   and name HD2%)
      2.500     0.800     0.800 peak   598 spectrum    1 weight  0.10000E+01 volume  0.50580E-02 ppm1      0.453 ppm2      0.879 CV     1
 OR {  598}
   (  segid "    " and resid 31   and name HD1%)
   (  segid "    " and resid 14   and name HD2%)
 ASSI {  602}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 48   and name HG2%)
      4.000     2.000     2.000 peak   602 spectrum    1 weight  0.10000E+01 volume  0.82132E-03 ppm1      0.358 ppm2      1.140 CV     1
 OR {  602}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 68   and name HG1%)
 ASSI {  603}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 68   and name HG1%)
      4.200     2.200     1.800 peak   603 spectrum    1 weight  0.10000E+01 volume  0.15617E-02 ppm1      0.239 ppm2      1.116 CV     1
 OR {  603}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 48   and name HG2%)
 ASSI {  605}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 74   and name HD1%)
      3.700     1.700     1.700 peak   605 spectrum    1 weight  0.10000E+01 volume  0.15382E-02 ppm1      0.236 ppm2      1.065 CV     1
 OR {  605}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 74   and name HD2%)
 OR {  605}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 43   and name HD2%)
 ASSI {  606}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 74   and name HG  ))
      2.900     1.100     1.100 peak   606 spectrum    1 weight  0.10000E+01 volume  0.23722E-02 ppm1      0.357 ppm2      0.975 CV     1
 OR {  606}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 77   and name HD2%)
 ASSI {  607}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 74   and name HG  ))
      3.300     1.400     1.400 peak   607 spectrum    1 weight  0.10000E+01 volume  0.23284E-02 ppm1      0.238 ppm2      0.972 CV     1
 OR {  607}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 64   and name HG1%)
 OR {  607}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 77   and name HD2%)
 ASSI {  608}
   (  segid "    " and resid 52   and name HD2%)
   (  segid "    " and resid 5    and name HD1%)
      2.500     0.800     0.800 peak   608 spectrum    1 weight  0.10000E+01 volume  0.73196E-02 ppm1      1.038 ppm2      0.630 CV     1
 OR {  608}
   (  segid "    " and resid 10   and name HD1%)
   (  segid "    " and resid 5    and name HD2%)
 OR {  608}
   (  segid "    " and resid 10   and name HD1%)
   (  segid "    " and resid 5    and name HD1%)
 OR {  608}
   (  segid "    " and resid 52   and name HD2%)
   (  segid "    " and resid 5    and name HD2%)
 ASSI {  613}
   (  segid "    " and resid 7    and name HG2%)
   (  segid "    " and resid 75   and name HD2%)
      3.400     1.400     1.400 peak   613 spectrum    1 weight  0.10000E+01 volume  0.18971E-02 ppm1      1.382 ppm2      0.874 CV     1
 OR {  613}
   (  segid "    " and resid 7    and name HG2%)
   (  segid "    " and resid 14   and name HD2%)
 ASSI {  619}
   (  segid "    " and resid 52   and name HD2%)
   (  segid "    " and resid 52   and name HD1%)
      2.100     0.500     0.500 peak   619 spectrum    1 weight  0.10000E+01 volume  0.15630E-01 ppm1      1.039 ppm2      0.855 CV     1
 OR {  619}
   (  segid "    " and resid 10   and name HD1%)
   (  segid "    " and resid 52   and name HD1%)
 ASSI {  620}
   (  segid "    " and resid 10   and name HD1%)
   (  segid "    " and resid 75   and name HD1%)
      2.700     0.900     0.900 peak   620 spectrum    1 weight  0.10000E+01 volume  0.70468E-02 ppm1      1.038 ppm2      0.787 CV     1
 OR {  620}
   (  segid "    " and resid 10   and name HD1%)
   (  segid "    " and resid 14   and name HD1%)
 OR {  620}
   (  segid "    " and resid 52   and name HD2%)
   (  segid "    " and resid 78   and name HD1%)
 OR {  620}
   (  segid "    " and resid 10   and name HD1%)
   (  segid "    " and resid 78   and name HD1%)
 ASSI {  621}
   (  segid "    " and resid 68   and name HG1%)
   (  segid "    " and resid 77   and name HD2%)
      2.500     0.800     0.800 peak   621 spectrum    1 weight  0.10000E+01 volume  0.75238E-02 ppm1      1.132 ppm2      0.952 CV     1
 OR {  621}
   (  segid "    " and resid 68   and name HG1%)
   (  segid "    " and resid 64   and name HG1%)
 OR {  621}
   (  segid "    " and resid 68   and name HG1%)
   (  segid "    " and resid 77   and name HD1%)
 OR {  621}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 74   and name HG  ))
 ASSI {  624}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 52   and name HD2%)
      2.700     0.900     0.900 peak   624 spectrum    1 weight  0.10000E+01 volume  0.52604E-02 ppm1      0.611 ppm2      1.041 CV     1
 OR {  624}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 10   and name HD1%)
 ASSI {  625}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 52   and name HD1%)
      2.800     1.000     1.000 peak   625 spectrum    1 weight  0.10000E+01 volume  0.56403E-02 ppm1      0.612 ppm2      0.876 CV     1
 OR {  625}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 78   and name HG2%)
 OR {  625}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 75   and name HD2%)
 ASSI {  627}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 4    and name HD2%)
      4.400     2.500     1.600 peak   627 spectrum    1 weight  0.10000E+01 volume  0.67729E-03 ppm1      0.620 ppm2      0.949 CV     1
 OR {  627}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 58   and name HG1%)
 OR {  627}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 77   and name HD1%)
 OR {  627}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 77   and name HD2%)
 ASSI {  629}
   (  segid "    " and resid 5    and name HD2%)
   (  segid "    " and resid 52   and name HD2%)
      2.500     0.800     0.800 peak   629 spectrum    1 weight  0.10000E+01 volume  0.57617E-02 ppm1      0.654 ppm2      1.010 CV     1
 OR {  629}
   (  segid "    " and resid 5    and name HD2%)
   (  segid "    " and resid 82   and name HD1%)
 ASSI {  630}
   (  segid "    " and resid 5    and name HD2%)
   (  segid "    " and resid 58   and name HG1%)
      3.300     3.300     2.700 peak   630 spectrum    1 weight  0.10000E+01 volume  0.26369E-02 ppm1      0.655 ppm2      0.922 CV     1
 OR {  630}
   (  segid "    " and resid 5    and name HD2%)
   (  segid "    " and resid 14   and name HD2%)
 ASSI {  632}
   (  segid "    " and resid 75   and name HD1%)
   (  segid "    " and resid 10   and name HD1%)
      3.200     1.300     1.300 peak   632 spectrum    1 weight  0.10000E+01 volume  0.22902E-02 ppm1      0.795 ppm2      1.067 CV     1
 OR {  632}
   (  segid "    " and resid 75   and name HD1%)
   (  segid "    " and resid 74   and name HD2%)
 OR {  632}
   (  segid "    " and resid 75   and name HD1%)
   (  segid "    " and resid 52   and name HD2%)
 OR {  632}
   (  segid "    " and resid 31   and name HD2%)
   (  segid "    " and resid 33   and name HD2%)
 ASSI {  633}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 75   and name HB2 ))
      2.200     0.600     0.600 peak   633 spectrum    1 weight  0.10000E+01 volume  0.87425E-02 ppm1      0.792 ppm2      1.563 CV     1
 OR {  633}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 10   and name HB2 ))
 OR {  633}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 5    and name HG  ))
 ASSI {  636}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 5    and name HG  ))
      2.300     0.700     0.700 peak   636 spectrum    1 weight  0.10000E+01 volume  0.79785E-02 ppm1      0.612 ppm2      1.573 CV     1
 OR {  636}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 5    and name HB1 ))
 OR {  636}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 10   and name HB2 ))
 ASSI {  637}
   (  segid "    " and resid 4    and name HD2%)
   (( segid "    " and resid 4    and name HB1 ))
      2.400     0.700     0.700 peak   637 spectrum    1 weight  0.10000E+01 volume  0.53846E-02 ppm1      0.950 ppm2      1.614 CV     1
 OR {  637}
   (  segid "    " and resid 4    and name HD2%)
   (  segid "    " and resid 83   and name HB% )
 ASSI {  647}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 10   and name HB1 ))
      3.600     1.600     1.600 peak   647 spectrum    1 weight  0.10000E+01 volume  0.15287E-02 ppm1      0.793 ppm2      2.340 CV     1
 OR {  647}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 32   and name HB2 ))
 ASSI {  654}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 31   and name HA  ))
      3.800     1.800     1.800 peak   654 spectrum    1 weight  0.10000E+01 volume  0.70528E-03 ppm1      0.779 ppm2      3.300 CV     1
 OR {  654}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 30   and name HB1 ))
 ASSI {  655}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 75   and name HA  ))
      3.500     1.500     1.500 peak   655 spectrum    1 weight  0.10000E+01 volume  0.18580E-02 ppm1      0.611 ppm2      3.890 CV     1
 OR {  655}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 7    and name HA  ))
 ASSI {  665}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 52   and name HA  ))
      4.900     3.000     1.100 peak   665 spectrum    1 weight  0.10000E+01 volume  0.34159E-03 ppm1      0.614 ppm2      4.329 CV     1
 OR {  665}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 7    and name HB  ))
 OR {  665}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 74   and name HA  ))
 ASSI {  667}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 77   and name HA  ))
      3.000     1.100     1.100 peak   667 spectrum    1 weight  0.10000E+01 volume  0.45437E-02 ppm1      0.955 ppm2      4.276 CV     1
 OR {  667}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 77   and name HA  ))
 OR {  667}
   (  segid "    " and resid 4    and name HD2%)
   (( segid "    " and resid 83   and name HA  ))
 ASSI {  668}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 65   and name HA  ))
      2.600     0.900     0.900 peak   668 spectrum    1 weight  0.10000E+01 volume  0.28120E-02 ppm1      0.955 ppm2      3.978 CV     1
 OR {  668}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 65   and name HA  ))
 OR {  668}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 49   and name HA  ))
 OR {  668}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 49   and name HA  ))
 ASSI {  669}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 42   and name H28B))
      3.600     3.600     2.400 peak   669 spectrum    1 weight  0.10000E+01 volume  0.69548E-03 ppm1      1.006 ppm2      3.910 CV     1
 OR {  669}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 66   and name HA2 ))
 ASSI {  676}
   (  segid "    " and resid 31   and name HD2%)
   (  segid "    " and resid 30   and name HD% )
      3.100     1.200     1.200 peak   676 spectrum    1 weight  0.10000E+01 volume  0.32624E-02 ppm1      0.793 ppm2      7.328 CV     1
 OR {  676}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 79   and name HD21))
 ASSI {  680}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 78   and name HN  ))
      5.100     3.200     0.900 peak   680 spectrum    1 weight  0.10000E+01 volume  0.15170E-03 ppm1      0.786 ppm2      8.270 CV     1
 OR {  680}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 82   and name HN  ))
 ASSI {  681}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 30   and name HN  ))
      3.500     1.600     1.600 peak   681 spectrum    1 weight  0.10000E+01 volume  0.50372E-03 ppm1      0.794 ppm2      8.070 CV     1
 OR {  681}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 32   and name HN  ))
 ASSI {  682}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 8    and name HN  ))
      5.400     3.700     0.600 peak   682 spectrum    1 weight  0.10000E+01 volume  0.23117E-03 ppm1      0.653 ppm2      8.270 CV     1
 OR {  682}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 78   and name HN  ))
 OR {  682}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 82   and name HN  ))
 ASSI {  683}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 78   and name HN  ))
      4.700     2.800     1.300 peak   683 spectrum    1 weight  0.10000E+01 volume  0.38840E-03 ppm1      0.612 ppm2      8.274 CV     1
 OR {  683}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 8    and name HN  ))
 OR {  683}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 82   and name HN  ))
 ASSI {  686}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 79   and name HN  ))
      3.700     1.700     1.700 peak   686 spectrum    1 weight  0.10000E+01 volume  0.76039E-03 ppm1      0.790 ppm2      8.851 CV     1
 OR {  686}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 7    and name HN  ))
 ASSI {  687}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 75   and name HN  ))
      4.400     2.400     1.600 peak   687 spectrum    1 weight  0.10000E+01 volume  0.94962E-03 ppm1      0.792 ppm2      8.721 CV     1
 OR {  687}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 76   and name HN  ))
 ASSI {  694}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 7    and name HN  ))
      3.800     1.800     1.800 peak   694 spectrum    1 weight  0.10000E+01 volume  0.60547E-03 ppm1      0.870 ppm2      8.851 CV     1
 OR {  694}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 79   and name HN  ))
 ASSI {  695}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 75   and name HN  ))
      2.600     2.600     3.400 peak   695 spectrum    1 weight  0.10000E+01 volume  0.25416E-02 ppm1      0.872 ppm2      8.716 CV     1
 OR {  695}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 76   and name HN  ))
 OR {  695}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 75   and name HN  ))
 OR {  695}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 76   and name HN  ))
 ASSI {  697}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 15   and name HN  ))
      3.300     1.400     1.400 peak   697 spectrum    1 weight  0.10000E+01 volume  0.15596E-02 ppm1      0.801 ppm2      8.458 CV     1
 OR {  697}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 26   and name HN  ))
 ASSI {  700}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 51   and name HN  ))
      3.800     1.800     1.800 peak   700 spectrum    1 weight  0.10000E+01 volume  0.49392E-03 ppm1      0.863 ppm2      8.098 CV     1
 OR {  700}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 10   and name HN  ))
 OR {  700}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 55   and name HN  ))
 ASSI {  703}
   (( segid "    " and resid 26   and name HG  ))
   (( segid "    " and resid 26   and name HN  ))
      3.900     1.900     1.900 peak   703 spectrum    1 weight  0.10000E+01 volume  0.16246E-02 ppm1      1.578 ppm2      8.454 CV     1
 OR {  703}
   (( segid "    " and resid 26   and name HG  ))
   (( segid "    " and resid 15   and name HN  ))
 ASSI {  704}
   (( segid "    " and resid 75   and name HG  ))
   (( segid "    " and resid 76   and name HN  ))
      3.800     1.800     1.800 peak   704 spectrum    1 weight  0.10000E+01 volume  0.11116E-02 ppm1      1.686 ppm2      8.716 CV     1
 OR {  704}
   (( segid "    " and resid 75   and name HG  ))
   (( segid "    " and resid 75   and name HN  ))
 ASSI {  708}
   (( segid "    " and resid 71   and name HG1 ))
   (  segid "    " and resid 30   and name HE% )
      3.900     1.900     1.900 peak   708 spectrum    1 weight  0.10000E+01 volume  0.77438E-03 ppm1      2.186 ppm2      7.205 CV     1
 OR {  708}
   (( segid "    " and resid 71   and name HG1 ))
   (( segid "    " and resid 33   and name HN  ))
 ASSI {  713}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 33   and name HN  ))
      3.800     1.800     1.800 peak   713 spectrum    1 weight  0.10000E+01 volume  0.54236E-03 ppm1      1.329 ppm2      7.206 CV     1
 OR {  713}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 30   and name HE% )
 ASSI {  726}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 79   and name HD21))
      3.100     3.100     2.900 peak   726 spectrum    1 weight  0.10000E+01 volume  0.18484E-02 ppm1      0.874 ppm2      7.329 CV     1
 OR {  726}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 30   and name HZ  ))
 OR {  726}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 79   and name HD21))
 ASSI {  727}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 79   and name HD22))
      2.700     2.700     3.300 peak   727 spectrum    1 weight  0.10000E+01 volume  0.23309E-02 ppm1      0.873 ppm2      7.668 CV     1
 OR {  727}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 79   and name HD22))
 ASSI {  747}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 23   and name HA1 ))
      3.500     1.500     1.500 peak   747 spectrum    1 weight  0.10000E+01 volume  0.34986E-03 ppm1      0.801 ppm2      4.063 CV     1
 OR {  747}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 23   and name HA2 ))
 OR {  747}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 17   and name HB2 ))
 ASSI {  750}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 7    and name HA  ))
      3.300     1.400     1.400 peak   750 spectrum    1 weight  0.10000E+01 volume  0.27558E-02 ppm1      0.873 ppm2      3.886 CV     1
 OR {  750}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 75   and name HA  ))
 ASSI {  751}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 14   and name HA  ))
      4.300     2.300     1.700 peak   751 spectrum    1 weight  0.10000E+01 volume  0.13264E-02 ppm1      0.895 ppm2      4.398 CV     1
 OR {  751}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 48   and name HB  ))
 ASSI {  752}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 71   and name HA  ))
      3.800     1.800     1.800 peak   752 spectrum    1 weight  0.10000E+01 volume  0.75064E-03 ppm1      0.895 ppm2      4.220 CV     1
 OR {  752}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 10   and name HA  ))
 OR {  752}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 24   and name HB  ))
 OR {  752}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 16   and name HA  ))
 ASSI {  753}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 76   and name HA  ))
      3.400     1.400     1.400 peak   753 spectrum    1 weight  0.10000E+01 volume  0.54851E-03 ppm1      0.872 ppm2      4.494 CV     1
 OR {  753}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 76   and name HA  ))
 ASSI {  754}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 48   and name HB  ))
      4.600     2.600     1.400 peak   754 spectrum    1 weight  0.10000E+01 volume  0.32739E-03 ppm1      0.865 ppm2      4.417 CV     1
 OR {  754}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 13   and name HA  ))
 ASSI {  756}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 10   and name HA  ))
      3.600     1.600     1.600 peak   756 spectrum    1 weight  0.10000E+01 volume  0.12274E-02 ppm1      0.864 ppm2      4.213 CV     1
 OR {  756}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 51   and name HA  ))
 ASSI {  761}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 30   and name HB1 ))
      2.600     0.900     0.900 peak   761 spectrum    1 weight  0.10000E+01 volume  0.15902E-02 ppm1      1.062 ppm2      3.290 CV     1
 OR {  761}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 31   and name HA  ))
 ASSI {  762}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 32   and name HB1 ))
      3.500     1.600     1.600 peak   762 spectrum    1 weight  0.10000E+01 volume  0.88264E-03 ppm1      1.062 ppm2      3.007 CV     1
 OR {  762}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 30   and name HB2 ))
 ASSI {  765}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 53   and name HG1 ))
      4.000     2.000     2.000 peak   765 spectrum    1 weight  0.10000E+01 volume  0.72755E-03 ppm1      0.871 ppm2      2.759 CV     1
 OR {  765}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 79   and name HB2 ))
 ASSI {  778}
   (( segid "    " and resid 52   and name HG  ))
   (  segid "    " and resid 48   and name HG2%)
      3.200     1.300     1.300 peak   778 spectrum    1 weight  0.10000E+01 volume  0.13026E-02 ppm1      2.041 ppm2      1.138 CV     1
 OR {  778}
   (( segid "    " and resid 52   and name HG  ))
   (  segid "    " and resid 10   and name HD2%)
 ASSI {  781}
   (( segid "    " and resid 14   and name HG  ))
   (  segid "    " and resid 15   and name HG2%)
      4.200     2.200     1.800 peak   781 spectrum    1 weight  0.10000E+01 volume  0.98474E-03 ppm1      1.894 ppm2      1.125 CV     1
 OR {  781}
   (( segid "    " and resid 14   and name HG  ))
   (  segid "    " and resid 48   and name HG2%)
 ASSI {  790}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 75   and name HB2 ))
      2.400     0.700     0.700 peak   790 spectrum    1 weight  0.10000E+01 volume  0.86434E-02 ppm1      0.872 ppm2      1.544 CV     1
 OR {  790}
   (  segid "    " and resid 52   and name HD1%)
   (  segid "    " and resid 49   and name HB% )
 ASSI {  792}
   (  segid "    " and resid 75   and name HD2%)
   (  segid "    " and resid 7    and name HG2%)
      2.300     2.300     3.700 peak   792 spectrum    1 weight  0.10000E+01 volume  0.38113E-02 ppm1      0.869 ppm2      1.394 CV     1
 OR {  792}
   (  segid "    " and resid 75   and name HD2%)
   (  segid "    " and resid 6    and name HG2%)
 OR {  792}
   (  segid "    " and resid 52   and name HD1%)
   (  segid "    " and resid 65   and name HB% )
 ASSI {  798}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 75   and name HB1 ))
      2.200     0.600     0.600 peak   798 spectrum    1 weight  0.10000E+01 volume  0.10740E-01 ppm1      0.869 ppm2      2.202 CV     1
 OR {  798}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 52   and name HB1 ))
 ASSI {  805}
   (( segid "    " and resid 71   and name HG1 ))
   (  segid "    " and resid 38   and name HD1%)
      2.900     1.100     1.100 peak   805 spectrum    1 weight  0.10000E+01 volume  0.13105E-02 ppm1      2.185 ppm2      0.882 CV     1
 OR {  805}
   (( segid "    " and resid 71   and name HG1 ))
   (  segid "    " and resid 14   and name HD2%)
 ASSI {  817}
   (  segid "    " and resid 82   and name HD1%)
   (  segid "    " and resid 5    and name HD1%)
      2.800     1.000     1.000 peak   817 spectrum    1 weight  0.10000E+01 volume  0.14229E-02 ppm1      0.981 ppm2      0.638 CV     1
 OR {  817}
   (  segid "    " and resid 82   and name HD1%)
   (  segid "    " and resid 5    and name HD2%)
 OR {  817}
   (( segid "    " and resid 74   and name HG  ))
   (  segid "    " and resid 5    and name HD1%)
 ASSI {  820}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 38   and name HD1%)
      3.200     1.300     1.300 peak   820 spectrum    1 weight  0.10000E+01 volume  0.12991E-02 ppm1      1.322 ppm2      0.882 CV     1
 OR {  820}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 14   and name HD2%)
 OR {  820}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 75   and name HD2%)
 ASSI {  828}
   (  segid "    " and resid 10   and name HD2%)
   (  segid "    " and resid 75   and name HD2%)
      3.100     1.200     1.200 peak   828 spectrum    1 weight  0.10000E+01 volume  0.33805E-02 ppm1      1.124 ppm2      0.867 CV     1
 OR {  828}
   (  segid "    " and resid 10   and name HD2%)
   (  segid "    " and resid 52   and name HD1%)
 ASSI {  833}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 75   and name HG  ))
      3.900     1.900     1.900 peak   833 spectrum    1 weight  0.10000E+01 volume  0.22959E-02 ppm1      1.124 ppm2      1.692 CV     1
 OR {  833}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 74   and name HB2 ))
 OR {  833}
   (  segid "    " and resid 10   and name HD2%)
   (  segid "    " and resid 13   and name HB% )
 ASSI {  834}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 75   and name HB2 ))
      2.200     0.600     0.600 peak   834 spectrum    1 weight  0.10000E+01 volume  0.76300E-02 ppm1      1.124 ppm2      1.557 CV     1
 OR {  834}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 10   and name HB2 ))
 ASSI {  841}
   (( segid "    " and resid 55   and name HG1 ))
   (( segid "    " and resid 55   and name HB2 ))
      2.300     0.700     0.700 peak   841 spectrum    1 weight  0.10000E+01 volume  0.76436E-02 ppm1      1.353 ppm2      1.628 CV     1
 OR {  841}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 45   and name HB1 ))
 ASSI {  842}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 45   and name HB2 ))
      2.300     0.700     0.700 peak   842 spectrum    1 weight  0.10000E+01 volume  0.52373E-02 ppm1      1.353 ppm2      1.495 CV     1
 OR {  842}
   (( segid "    " and resid 45   and name HG  ))
   (  segid "    " and resid 44   and name HB% )
 ASSI {  855}
   (( segid "    " and resid 61   and name HG2 ))
   (  segid "    " and resid 64   and name HG2%)
      3.300     1.400     1.400 peak   855 spectrum    1 weight  0.10000E+01 volume  0.29886E-02 ppm1      2.132 ppm2      1.022 CV     1
 OR {  855}
   (( segid "    " and resid 61   and name HG1 ))
   (  segid "    " and resid 64   and name HG2%)
 OR {  855}
   (( segid "    " and resid 61   and name HG2 ))
   (  segid "    " and resid 60   and name HG2%)
 ASSI {  857}
   (( segid "    " and resid 4    and name HG  ))
   (( segid "    " and resid 4    and name HB1 ))
      2.200     0.600     0.600 peak   857 spectrum    1 weight  0.10000E+01 volume  0.72592E-02 ppm1      1.705 ppm2      1.597 CV     1
 OR {  857}
   (( segid "    " and resid 4    and name HG  ))
   (  segid "    " and resid 83   and name HB% )
 ASSI {  859}
   (( segid "    " and resid 10   and name HG  ))
   (  segid "    " and resid 10   and name HD1%)
      2.500     0.800     0.800 peak   859 spectrum    1 weight  0.10000E+01 volume  0.43490E-02 ppm1      1.887 ppm2      1.042 CV     1
 OR {  859}
   (( segid "    " and resid 10   and name HG  ))
   (  segid "    " and resid 74   and name HD1%)
 ASSI {  860}
   (( segid "    " and resid 14   and name HG  ))
   (  segid "    " and resid 14   and name HD1%)
      2.500     0.800     0.800 peak   860 spectrum    1 weight  0.10000E+01 volume  0.43194E-02 ppm1      1.884 ppm2      0.772 CV     1
 OR {  860}
   (( segid "    " and resid 10   and name HG  ))
   (  segid "    " and resid 75   and name HD1%)
 ASSI {  862}
   (( segid "    " and resid 38   and name HG11))
   (  segid "    " and resid 38   and name HD1%)
      2.200     0.600     0.600 peak   862 spectrum    1 weight  0.10000E+01 volume  0.64903E-02 ppm1      1.823 ppm2      0.874 CV     1
 OR {  862}
   (( segid "    " and resid 77   and name HG  ))
   (  segid "    " and resid 60   and name HD1%)
 ASSI {  872}
   (( segid "    " and resid 77   and name HG  ))
   (( segid "    " and resid 77   and name HB1 ))
      2.300     0.700     0.700 peak   872 spectrum    1 weight  0.10000E+01 volume  0.90289E-02 ppm1      1.827 ppm2      2.028 CV     1
 OR {  872}
   (( segid "    " and resid 82   and name HG  ))
   (( segid "    " and resid 82   and name HB1 ))
 ASSI {  881}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 71   and name HB2 ))
      3.500     1.500     1.500 peak   881 spectrum    1 weight  0.10000E+01 volume  0.16344E-02 ppm1      1.123 ppm2      2.005 CV     1
 OR {  881}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 14   and name HB1 ))
 ASSI {  898}
   (( segid "    " and resid 14   and name HG  ))
   (( segid "    " and resid 14   and name HA  ))
      3.500     1.600     1.600 peak   898 spectrum    1 weight  0.10000E+01 volume  0.91580E-03 ppm1      1.884 ppm2      4.400 CV     1
 OR {  898}
   (( segid "    " and resid 10   and name HG  ))
   (( segid "    " and resid 14   and name HA  ))
 ASSI {  904}
   (( segid "    " and resid 77   and name HG  ))
   (( segid "    " and resid 77   and name HA  ))
      3.200     1.300     1.300 peak   904 spectrum    1 weight  0.10000E+01 volume  0.17529E-02 ppm1      1.821 ppm2      4.272 CV     1
 OR {  904}
   (( segid "    " and resid 38   and name HG11))
   (( segid "    " and resid 39   and name HA1 ))
 ASSI {  905}
   (( segid "    " and resid 82   and name HG  ))
   (( segid "    " and resid 82   and name HA  ))
      3.200     1.300     1.300 peak   905 spectrum    1 weight  0.10000E+01 volume  0.17979E-02 ppm1      1.834 ppm2      4.232 CV     1
 OR {  905}
   (( segid "    " and resid 38   and name HG11))
   (( segid "    " and resid 39   and name HA1 ))
 ASSI {  911}
   (( segid "    " and resid 38   and name HG12))
   (( segid "    " and resid 35   and name HA  ))
      2.300     0.700     0.700 peak   911 spectrum    1 weight  0.10000E+01 volume  0.26267E-02 ppm1      1.544 ppm2      4.370 CV     1
 OR {  911}
   (( segid "    " and resid 5    and name HG  ))
   (( segid "    " and resid 4    and name HA  ))
 ASSI {  917}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 75   and name HA  ))
      3.200     1.300     1.300 peak   917 spectrum    1 weight  0.10000E+01 volume  0.19767E-02 ppm1      1.124 ppm2      3.881 CV     1
 OR {  917}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 7    and name HA  ))
 ASSI {  918}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 10   and name HA  ))
      3.500     1.600     1.600 peak   918 spectrum    1 weight  0.10000E+01 volume  0.26020E-02 ppm1      1.125 ppm2      4.220 CV     1
 OR {  918}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 71   and name HA  ))
 ASSI {  921}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 30   and name HZ  ))
      3.300     1.400     1.400 peak   921 spectrum    1 weight  0.10000E+01 volume  0.16633E-02 ppm1      1.124 ppm2      7.334 CV     1
 OR {  921}
   (  segid "    " and resid 10   and name HD2%)
   (  segid "    " and resid 30   and name HD% )
 OR {  921}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 79   and name HD21))
 ASSI {  925}
   (( segid "    " and resid 38   and name HG12))
   (( segid "    " and resid 38   and name HN  ))
      2.200     0.600     0.600 peak   925 spectrum    1 weight  0.10000E+01 volume  0.36238E-02 ppm1      1.543 ppm2      7.714 CV     1
 OR {  925}
   (( segid "    " and resid 38   and name HG12))
   (( segid "    " and resid 39   and name HN  ))
 ASSI {  929}
   (( segid "    " and resid 10   and name HG  ))
   (  segid "    " and resid 30   and name HE% )
      3.600     1.600     1.600 peak   929 spectrum    1 weight  0.10000E+01 volume  0.67125E-03 ppm1      1.889 ppm2      7.213 CV     1
 OR {  929}
   (( segid "    " and resid 14   and name HG  ))
   (  segid "    " and resid 30   and name HE% )
 ASSI {  934}
   (( segid "    " and resid 38   and name HG11))
   (( segid "    " and resid 38   and name HN  ))
      3.200     1.300     1.300 peak   934 spectrum    1 weight  0.10000E+01 volume  0.24261E-02 ppm1      1.821 ppm2      7.712 CV     1
 OR {  934}
   (( segid "    " and resid 38   and name HG11))
   (( segid "    " and resid 39   and name HN  ))
 ASSI {  946}
   (( segid "    " and resid 82   and name HG  ))
   (( segid "    " and resid 82   and name HN  ))
      2.400     0.700     0.700 peak   946 spectrum    1 weight  0.10000E+01 volume  0.31636E-02 ppm1      1.838 ppm2      8.282 CV     1
 OR {  946}
   (( segid "    " and resid 77   and name HG  ))
   (( segid "    " and resid 78   and name HN  ))
 ASSI {  947}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 75   and name HN  ))
      3.400     1.500     1.500 peak   947 spectrum    1 weight  0.10000E+01 volume  0.18836E-02 ppm1      1.125 ppm2      8.721 CV     1
 OR {  947}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 76   and name HN  ))
 ASSI {  953}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 34   and name HN  ))
      3.900     1.900     1.900 peak   953 spectrum    1 weight  0.10000E+01 volume  0.13736E-02 ppm1      1.622 ppm2      8.460 CV     1
 OR {  953}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 35   and name HN  ))
 ASSI {  955}
   (( segid "    " and resid 34   and name HG1 ))
   (( segid "    " and resid 34   and name HN  ))
      2.600     0.900     0.900 peak   955 spectrum    1 weight  0.10000E+01 volume  0.19510E-02 ppm1      1.939 ppm2      8.459 CV     1
 OR {  955}
   (( segid "    " and resid 34   and name HG1 ))
   (( segid "    " and resid 35   and name HN  ))
 ASSI {  960}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 46   and name HN  ))
      4.600     2.700     1.400 peak   960 spectrum    1 weight  0.10000E+01 volume  0.44871E-03 ppm1      2.347 ppm2      8.230 CV     1
 OR {  960}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 50   and name HN  ))
 OR {  960}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 50   and name HN  ))
 ASSI {  969}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 37   and name HN  ))
      4.400     2.400     1.600 peak   969 spectrum    1 weight  0.10000E+01 volume  0.31797E-03 ppm1      2.134 ppm2      7.560 CV     1
 OR {  969}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 51   and name HE  ))
 ASSI {  970}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 51   and name HE  ))
      3.700     1.800     1.800 peak   970 spectrum    1 weight  0.10000E+01 volume  0.49609E-03 ppm1      2.254 ppm2      7.555 CV     1
 OR {  970}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 37   and name HN  ))
 ASSI {  986}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 50   and name HA  ))
      2.800     1.000     1.000 peak   986 spectrum    1 weight  0.10000E+01 volume  0.35022E-02 ppm1      2.342 ppm2      4.246 CV     1
 OR {  986}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 47   and name HA  ))
 ASSI {  987}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 53   and name HA  ))
      2.600     0.900     0.900 peak   987 spectrum    1 weight  0.10000E+01 volume  0.27660E-02 ppm1      2.505 ppm2      4.093 CV     1
 OR {  987}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 54   and name HB2 ))
 OR {  987}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 57   and name HA2 ))
 ASSI {  988}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HA  ))
      3.200     1.300     1.300 peak   988 spectrum    1 weight  0.10000E+01 volume  0.21747E-02 ppm1      2.355 ppm2      4.089 CV     1
 OR {  988}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 54   and name HB1 ))
 OR {  988}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 54   and name HB2 ))
 ASSI { 1003}
   (( segid "    " and resid 53   and name HB2 ))
   (  segid "    " and resid 50   and name HB% )
      4.500     2.500     1.500 peak  1003 spectrum    1 weight  0.10000E+01 volume  0.43099E-03 ppm1      2.348 ppm2      1.640 CV     1
 OR { 1003}
   (( segid "    " and resid 47   and name HB1 ))
   (  segid "    " and resid 50   and name HB% )
 OR { 1003}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 55   and name HB2 ))
 OR { 1003}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 45   and name HB1 ))
 ASSI { 1004}
   (( segid "    " and resid 47   and name HB1 ))
   (  segid "    " and resid 44   and name HB% )
      4.400     2.400     1.600 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.54333E-03 ppm1      2.350 ppm2      1.517 CV     1
 OR { 1004}
   (( segid "    " and resid 53   and name HB2 ))
   (  segid "    " and resid 49   and name HB% )
 OR { 1004}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 60   and name HG11))
 ASSI { 1017}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HB1 ))
      1.800     0.400     0.400 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.11166E-01 ppm1      2.350 ppm2      2.486 CV     1
 OR { 1017}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 47   and name HG2 ))
 ASSI { 1024}
   (( segid "    " and resid 78   and name HG11))
   (  segid "    " and resid 74   and name HD2%)
      3.400     1.500     1.500 peak  1024 spectrum    1 weight  0.10000E+01 volume  0.12212E-02 ppm1      1.721 ppm2      1.058 CV     1
 OR { 1024}
   (( segid "    " and resid 78   and name HG11))
   (  segid "    " and resid 52   and name HD2%)
 ASSI { 1028}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 12   and name HG2 ))
      2.500     0.800     0.800 peak  1028 spectrum    1 weight  0.10000E+01 volume  0.59382E-02 ppm1      2.030 ppm2      1.705 CV     1
 OR { 1028}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 12   and name HG2 ))
 OR { 1028}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 12   and name HG2 ))
 ASSI { 1029}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HG1 ))
      2.700     0.900     0.900 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.28630E-02 ppm1      2.040 ppm2      1.399 CV     1
 OR { 1029}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HG1 ))
 OR { 1029}
   (( segid "    " and resid 11   and name HB2 ))
   (  segid "    " and resid 7    and name HG2%)
 OR { 1029}
   (( segid "    " and resid 11   and name HB1 ))
   (  segid "    " and resid 7    and name HG2%)
 ASSI { 1030}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HG2 ))
      2.700     0.900     0.900 peak  1030 spectrum    1 weight  0.10000E+01 volume  0.28910E-02 ppm1      2.038 ppm2      1.144 CV     1
 OR { 1030}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HG2 ))
 OR { 1030}
   (( segid "    " and resid 11   and name HB1 ))
   (  segid "    " and resid 15   and name HG2%)
 OR { 1030}
   (( segid "    " and resid 11   and name HB2 ))
   (  segid "    " and resid 15   and name HG2%)
 OR { 1030}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 11   and name HG2 ))
 OR { 1030}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 11   and name HG2 ))
 ASSI { 1033}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 34   and name HG2 ))
      2.800     1.000     1.000 peak  1033 spectrum    1 weight  0.10000E+01 volume  0.15377E-02 ppm1      2.180 ppm2      1.629 CV     1
 OR { 1033}
   (( segid "    " and resid 51   and name HB1 ))
   (  segid "    " and resid 50   and name HB% )
 ASSI { 1034}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 51   and name HG1 ))
      3.100     1.200     1.200 peak  1034 spectrum    1 weight  0.10000E+01 volume  0.28347E-02 ppm1      2.180 ppm2      1.949 CV     1
 OR { 1034}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 34   and name HG1 ))
 ASSI { 1038}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 16   and name HG1 ))
      2.400     0.700     0.700 peak  1038 spectrum    1 weight  0.10000E+01 volume  0.54120E-02 ppm1      2.267 ppm2      2.628 CV     1
 OR { 1038}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 73   and name HG1 ))
 ASSI { 1039}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 73   and name HB1 ))
      1.700     0.300     0.500 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.17168E-01 ppm1      2.274 ppm2      2.472 CV     1
 OR { 1039}
   (( segid "    " and resid 84   and name HB1 ))
   (( segid "    " and resid 84   and name HG2 ))
 ASSI { 1040}
   (( segid "    " and resid 20   and name HB1 ))
   (( segid "    " and resid 20   and name HG2 ))
      2.100     0.600     0.600 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.15562E-01 ppm1      2.248 ppm2      2.410 CV     1
 OR { 1040}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 16   and name HG2 ))
 OR { 1040}
   (( segid "    " and resid 20   and name HB1 ))
   (( segid "    " and resid 20   and name HG1 ))
 ASSI { 1044}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HB1 ))
      1.500     0.300     0.700 peak  1044 spectrum    1 weight  0.10000E+01 volume  0.30920E-01 ppm1      2.131 ppm2      2.270 CV     1
 OR { 1044}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 84   and name HB1 ))
 ASSI { 1058}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 16   and name HA  ))
      2.800     1.000     1.000 peak  1058 spectrum    1 weight  0.10000E+01 volume  0.49836E-02 ppm1      2.267 ppm2      4.221 CV     1
 OR { 1058}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 73   and name HA  ))
 ASSI { 1060}
   (( segid "    " and resid 84   and name HB1 ))
   (( segid "    " and resid 84   and name HA  ))
      2.800     1.000     1.000 peak  1060 spectrum    1 weight  0.10000E+01 volume  0.33459E-02 ppm1      2.271 ppm2      4.392 CV     1
 OR { 1060}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 13   and name HA  ))
 ASSI { 1071}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 51   and name HD2 ))
      3.900     1.900     1.900 peak  1071 spectrum    1 weight  0.10000E+01 volume  0.73692E-03 ppm1      2.178 ppm2      3.330 CV     1
 OR { 1071}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 34   and name HD2 ))
 ASSI { 1072}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 30   and name HZ  ))
      3.000     1.100     1.100 peak  1072 spectrum    1 weight  0.10000E+01 volume  0.19966E-02 ppm1      2.041 ppm2      7.331 CV     1
 OR { 1072}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HE  ))
 OR { 1072}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HE  ))
 OR { 1072}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 30   and name HZ  ))
 OR { 1072}
   (( segid "    " and resid 11   and name HB2 ))
   (  segid "    " and resid 30   and name HD% )
 ASSI { 1090}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 52   and name HN  ))
      3.500     1.500     1.500 peak  1090 spectrum    1 weight  0.10000E+01 volume  0.99884E-03 ppm1      2.038 ppm2      8.417 CV     1
 OR { 1090}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 14   and name HN  ))
 OR { 1090}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 14   and name HN  ))
 OR { 1090}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 14   and name HN  ))
 OR { 1090}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 14   and name HN  ))
 ASSI { 1091}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 35   and name HN  ))
      2.900     1.000     1.000 peak  1091 spectrum    1 weight  0.10000E+01 volume  0.20655E-02 ppm1      2.181 ppm2      8.449 CV     1
 OR { 1091}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 34   and name HN  ))
 ASSI { 1094}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HN  ))
      3.000     1.100     1.100 peak  1094 spectrum    1 weight  0.10000E+01 volume  0.15216E-02 ppm1      1.858 ppm2      8.460 CV     1
 OR { 1094}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 35   and name HN  ))
 ASSI { 1143}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 46   and name HN  ))
      3.700     1.700     1.700 peak  1143 spectrum    1 weight  0.10000E+01 volume  0.19681E-02 ppm1      2.754 ppm2      8.234 CV     1
 OR { 1143}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 65   and name HN  ))
 ASSI { 1146}
   (( segid "    " and resid 71   and name HB1 ))
   (  segid "    " and resid 30   and name HE% )
      2.900     1.000     1.000 peak  1146 spectrum    1 weight  0.10000E+01 volume  0.15561E-02 ppm1      2.249 ppm2      7.211 CV     1
 OR { 1146}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 33   and name HN  ))
 ASSI { 1153}
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 46   and name HA  ))
      2.500     0.800     0.800 peak  1153 spectrum    1 weight  0.10000E+01 volume  0.58641E-02 ppm1      2.316 ppm2      4.267 CV     1
 OR { 1153}
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 46   and name HA  ))
 OR { 1153}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 46   and name HA  ))
 OR { 1153}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 46   and name HA  ))
 OR { 1153}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 43   and name HA  ))
 OR { 1153}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 43   and name HA  ))
 ASSI { 1163}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 46   and name HA  ))
      2.900     1.100     1.100 peak  1163 spectrum    1 weight  0.10000E+01 volume  0.23591E-02 ppm1      2.843 ppm2      4.268 CV     1
 OR { 1163}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 43   and name HA  ))
 ASSI { 1164}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 46   and name HA  ))
      2.700     0.900     0.900 peak  1164 spectrum    1 weight  0.10000E+01 volume  0.28608E-02 ppm1      2.755 ppm2      4.267 CV     1
 OR { 1164}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 43   and name HA  ))
 ASSI { 1165}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 66   and name HA2 ))
      4.500     2.500     1.500 peak  1165 spectrum    1 weight  0.10000E+01 volume  0.28937E-03 ppm1      2.848 ppm2      3.895 CV     1
 OR { 1165}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 45   and name HA  ))
 ASSI { 1166}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 66   and name HA2 ))
      4.900     3.000     1.100 peak  1166 spectrum    1 weight  0.10000E+01 volume  0.36256E-03 ppm1      2.756 ppm2      3.900 CV     1
 OR { 1166}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 45   and name HA  ))
 ASSI { 1177}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 10   and name HG  ))
      3.900     1.900     1.900 peak  1177 spectrum    1 weight  0.10000E+01 volume  0.65807E-03 ppm1      2.248 ppm2      1.885 CV     1
 OR { 1177}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 72   and name HB1 ))
 ASSI { 1179}
   (( segid "    " and resid 71   and name HB1 ))
   (  segid "    " and resid 14   and name HD2%)
      3.400     1.400     1.400 peak  1179 spectrum    1 weight  0.10000E+01 volume  0.11526E-02 ppm1      2.252 ppm2      0.894 CV     1
 OR { 1179}
   (( segid "    " and resid 71   and name HB1 ))
   (  segid "    " and resid 38   and name HD1%)
 OR { 1179}
   (( segid "    " and resid 71   and name HB1 ))
   (  segid "    " and resid 75   and name HD2%)
 ASSI { 1180}
   (( segid "    " and resid 64   and name HB  ))
   (  segid "    " and resid 64   and name HG2%)
      2.000     0.500     0.500 peak  1180 spectrum    1 weight  0.10000E+01 volume  0.11942E-01 ppm1      2.213 ppm2      1.010 CV     1
 OR { 1180}
   (( segid "    " and resid 64   and name HB  ))
   (  segid "    " and resid 60   and name HG2%)
 ASSI { 1190}
   (( segid "    " and resid 46   and name HG2 ))
   (  segid "    " and resid 43   and name HD2%)
      4.500     2.600     1.500 peak  1190 spectrum    1 weight  0.10000E+01 volume  0.55423E-03 ppm1      2.755 ppm2      1.066 CV     1
 OR { 1190}
   (( segid "    " and resid 46   and name HG2 ))
   (  segid "    " and resid 74   and name HD2%)
 ASSI { 1191}
   (( segid "    " and resid 46   and name HG1 ))
   (  segid "    " and resid 64   and name HG1%)
      4.900     3.100     1.100 peak  1191 spectrum    1 weight  0.10000E+01 volume  0.40080E-03 ppm1      2.847 ppm2      0.963 CV     1
 OR { 1191}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 74   and name HG  ))
 OR { 1191}
   (( segid "    " and resid 46   and name HG1 ))
   (  segid "    " and resid 77   and name HD1%)
 OR { 1191}
   (( segid "    " and resid 46   and name HG1 ))
   (  segid "    " and resid 77   and name HD2%)
 ASSI { 1192}
   (( segid "    " and resid 46   and name HG2 ))
   (  segid "    " and resid 64   and name HG1%)
      5.100     3.200     0.900 peak  1192 spectrum    1 weight  0.10000E+01 volume  0.31739E-03 ppm1      2.754 ppm2      0.972 CV     1
 OR { 1192}
   (( segid "    " and resid 46   and name HG2 ))
   (  segid "    " and resid 77   and name HD1%)
 OR { 1192}
   (( segid "    " and resid 46   and name HG2 ))
   (  segid "    " and resid 77   and name HD2%)
 OR { 1192}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 74   and name HG  ))
 ASSI { 1195}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 45   and name HB2 ))
      4.100     2.100     1.900 peak  1195 spectrum    1 weight  0.10000E+01 volume  0.32352E-03 ppm1      2.844 ppm2      1.518 CV     1
 OR { 1195}
   (( segid "    " and resid 46   and name HG1 ))
   (  segid "    " and resid 49   and name HB% )
 ASSI { 1196}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 45   and name HB2 ))
      4.900     3.000     1.100 peak  1196 spectrum    1 weight  0.10000E+01 volume  0.45762E-03 ppm1      2.757 ppm2      1.512 CV     1
 OR { 1196}
   (( segid "    " and resid 46   and name HG2 ))
   (  segid "    " and resid 49   and name HB% )
 ASSI { 1199}
   (( segid "    " and resid 71   and name HB2 ))
   (  segid "    " and resid 75   and name HD2%)
      4.600     2.600     1.400 peak  1199 spectrum    1 weight  0.10000E+01 volume  0.42808E-03 ppm1      2.017 ppm2      0.900 CV     1
 OR { 1199}
   (( segid "    " and resid 71   and name HB2 ))
   (  segid "    " and resid 14   and name HD2%)
 ASSI { 1200}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 47   and name HB2 ))
      4.900     2.900     1.100 peak  1200 spectrum    1 weight  0.10000E+01 volume  0.65322E-03 ppm1      2.850 ppm2      2.191 CV     1
 OR { 1200}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 64   and name HB  ))
 ASSI { 1206}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 70   and name HN  ))
      3.400     1.500     1.500 peak  1206 spectrum    1 weight  0.10000E+01 volume  0.12513E-02 ppm1      2.409 ppm2      7.475 CV     1
 OR { 1206}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 67   and name HN  ))
 ASSI { 1242}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 81   and name HB% )
      3.400     1.400     1.400 peak  1242 spectrum    1 weight  0.10000E+01 volume  0.31953E-02 ppm1      2.134 ppm2      1.627 CV     1
 ASSI { 1254}
   (( segid "    " and resid 53   and name HG1 ))
   (  segid "    " and resid 49   and name HB% )
      3.800     1.800     1.800 peak  1254 spectrum    1 weight  0.10000E+01 volume  0.53850E-03 ppm1      2.768 ppm2      1.504 CV     1
 OR { 1254}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 60   and name HG11))
 ASSI { 1298}
   (( segid "    " and resid 79   and name HB1 ))
   (  segid "    " and resid 4    and name HD2%)
      3.800     1.800     1.800 peak  1298 spectrum    1 weight  0.10000E+01 volume  0.34958E-03 ppm1      3.086 ppm2      0.966 CV     1
 OR { 1298}
   (( segid "    " and resid 79   and name HB1 ))
   (  segid "    " and resid 82   and name HD1%)
 ASSI { 1299}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 4    and name HD2%)
      5.500     3.800     0.500 peak  1299 spectrum    1 weight  0.10000E+01 volume  0.33675E-03 ppm1      2.760 ppm2      0.963 CV     1
 OR { 1299}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 82   and name HD1%)
 ASSI { 1300}
   (( segid "    " and resid 79   and name HB1 ))
   (  segid "    " and resid 4    and name HD1%)
      5.300     3.500     0.700 peak  1300 spectrum    1 weight  0.10000E+01 volume  0.36417E-03 ppm1      3.087 ppm2      0.882 CV     1
 OR { 1300}
   (( segid "    " and resid 79   and name HB1 ))
   (  segid "    " and resid 78   and name HG2%)
 ASSI { 1301}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 4    and name HD1%)
      4.900     3.100     1.100 peak  1301 spectrum    1 weight  0.10000E+01 volume  0.70833E-03 ppm1      2.769 ppm2      0.884 CV     1
 OR { 1301}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 78   and name HG2%)
 ASSI { 1302}
   (( segid "    " and resid 78   and name HB  ))
   (  segid "    " and resid 78   and name HG2%)
      3.000     1.100     1.100 peak  1302 spectrum    1 weight  0.10000E+01 volume  0.11700E-02 ppm1      1.939 ppm2      0.863 CV     1
 OR { 1302}
   (( segid "    " and resid 78   and name HB  ))
   (  segid "    " and resid 52   and name HD1%)
 ASSI { 1316}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 35   and name HA  ))
      2.500     0.800     0.800 peak  1316 spectrum    1 weight  0.10000E+01 volume  0.29517E-02 ppm1      3.591 ppm2      4.369 CV     1
 OR { 1316}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 36   and name HA  ))
 ASSI { 1317}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 35   and name HA  ))
      3.000     1.100     1.100 peak  1317 spectrum    1 weight  0.10000E+01 volume  0.25020E-02 ppm1      3.088 ppm2      4.369 CV     1
 OR { 1317}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 36   and name HA  ))
 ASSI { 1348}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 38   and name HN  ))
      3.700     1.700     1.700 peak  1348 spectrum    1 weight  0.10000E+01 volume  0.14274E-02 ppm1      2.458 ppm2      7.719 CV     1
 OR { 1348}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 39   and name HN  ))
 ASSI { 1361}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 30   and name HN  ))
      3.300     1.400     1.400 peak  1361 spectrum    1 weight  0.10000E+01 volume  0.91771E-03 ppm1      3.286 ppm2      8.047 CV     1
 OR { 1361}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 32   and name HN  ))
 ASSI { 1363}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 40   and name HN  ))
      2.900     1.000     1.000 peak  1363 spectrum    1 weight  0.10000E+01 volume  0.49255E-02 ppm1      3.013 ppm2      8.055 CV     1
 OR { 1363}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HN  ))
 ASSI { 1365}
   (( segid "    " and resid 30   and name HB2 ))
   (  segid "    " and resid 30   and name HE% )
      4.100     2.100     1.900 peak  1365 spectrum    1 weight  0.10000E+01 volume  0.98904E-03 ppm1      3.008 ppm2      7.196 CV     1
 OR { 1365}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 33   and name HN  ))
 ASSI { 1373}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 23   and name HN  ))
      2.700     0.900     0.900 peak  1373 spectrum    1 weight  0.10000E+01 volume  0.58815E-02 ppm1      2.837 ppm2      8.490 CV     1
 OR { 1373}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HN  ))
 OR { 1373}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 23   and name HN  ))
 OR { 1373}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 22   and name HN  ))
 ASSI { 1376}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 35   and name HA  ))
      3.300     1.400     1.400 peak  1376 spectrum    1 weight  0.10000E+01 volume  0.19913E-02 ppm1      3.011 ppm2      4.364 CV     1
 OR { 1376}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 26   and name HA  ))
 ASSI { 1395}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 38   and name HG11))
      4.300     2.300     1.700 peak  1395 spectrum    1 weight  0.10000E+01 volume  0.89827E-03 ppm1      3.011 ppm2      1.806 CV     1
 OR { 1395}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 33   and name HB1 ))
 ASSI { 1396}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 38   and name HG12))
      4.000     2.000     2.000 peak  1396 spectrum    1 weight  0.10000E+01 volume  0.13580E-02 ppm1      3.011 ppm2      1.518 CV     1
 OR { 1396}
   (( segid "    " and resid 40   and name HB1 ))
   (  segid "    " and resid 44   and name HB% )
 ASSI { 1404}
   (( segid "    " and resid 30   and name HB2 ))
   (  segid "    " and resid 33   and name HD2%)
      3.200     1.300     1.300 peak  1404 spectrum    1 weight  0.10000E+01 volume  0.16685E-02 ppm1      3.012 ppm2      1.065 CV     1
 OR { 1404}
   (( segid "    " and resid 30   and name HB2 ))
   (  segid "    " and resid 38   and name HG2%)
 ASSI { 1405}
   (( segid "    " and resid 40   and name HB1 ))
   (  segid "    " and resid 38   and name HD1%)
      4.100     2.100     1.900 peak  1405 spectrum    1 weight  0.10000E+01 volume  0.92767E-03 ppm1      3.010 ppm2      0.874 CV     1
 OR { 1405}
   (( segid "    " and resid 30   and name HB2 ))
   (  segid "    " and resid 38   and name HD1%)
 ASSI { 1408}
   (( segid "    " and resid 30   and name HB1 ))
   (  segid "    " and resid 38   and name HG2%)
      3.500     1.500     1.500 peak  1408 spectrum    1 weight  0.10000E+01 volume  0.21991E-02 ppm1      3.288 ppm2      1.062 CV     1
 OR { 1408}
   (( segid "    " and resid 30   and name HB1 ))
   (  segid "    " and resid 33   and name HD2%)
 ASSI { 1413}
   (( segid "    " and resid 30   and name HB2 ))
   (  segid "    " and resid 7    and name HG2%)
      3.900     1.900     1.900 peak  1413 spectrum    1 weight  0.10000E+01 volume  0.52792E-03 ppm1      3.010 ppm2      1.367 CV     1
 OR { 1413}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 45   and name HG  ))
 ASSI { 1414}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 26   and name HB2 ))
      4.000     2.000     2.000 peak  1414 spectrum    1 weight  0.10000E+01 volume  0.49709E-03 ppm1      3.013 ppm2      1.226 CV     1
 OR { 1414}
   (( segid "    " and resid 40   and name HB1 ))
   (  segid "    " and resid 68   and name HG2%)
 ASSI { 1419}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 5    and name HB1 ))
      3.900     1.900     1.900 peak  1419 spectrum    1 weight  0.10000E+01 volume  0.15502E-02 ppm1      3.040 ppm2      1.575 CV     1
 OR { 1419}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 5    and name HG  ))
 OR { 1419}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 10   and name HB2 ))
 ASSI { 1421}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 5    and name HB1 ))
      3.900     1.900     1.900 peak  1421 spectrum    1 weight  0.10000E+01 volume  0.14825E-02 ppm1      2.701 ppm2      1.578 CV     1
 OR { 1421}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 5    and name HG  ))
 OR { 1421}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 10   and name HB2 ))
 ASSI { 1428}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 14   and name HG  ))
      2.600     0.900     0.900 peak  1428 spectrum    1 weight  0.10000E+01 volume  0.24800E-02 ppm1      1.987 ppm2      1.882 CV     1
 OR { 1428}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 10   and name HG  ))
 ASSI { 1429}
   (( segid "    " and resid 14   and name HB1 ))
   (  segid "    " and resid 15   and name HG2%)
      3.800     1.800     1.800 peak  1429 spectrum    1 weight  0.10000E+01 volume  0.91008E-03 ppm1      1.992 ppm2      1.120 CV     1
 OR { 1429}
   (( segid "    " and resid 14   and name HB1 ))
   (  segid "    " and resid 48   and name HG2%)
 ASSI { 1433}
   (( segid "    " and resid 10   and name HB1 ))
   (  segid "    " and resid 10   and name HD1%)
      3.400     1.400     1.400 peak  1433 spectrum    1 weight  0.10000E+01 volume  0.30118E-02 ppm1      2.338 ppm2      1.048 CV     1
 OR { 1433}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 31   and name HB2 ))
 OR { 1433}
   (( segid "    " and resid 32   and name HB2 ))
   (  segid "    " and resid 33   and name HD2%)
 ASSI { 1434}
   (( segid "    " and resid 10   and name HB1 ))
   (  segid "    " and resid 75   and name HD2%)
      3.900     1.900     1.900 peak  1434 spectrum    1 weight  0.10000E+01 volume  0.10121E-02 ppm1      2.337 ppm2      0.889 CV     1
 OR { 1434}
   (( segid "    " and resid 10   and name HB1 ))
   (  segid "    " and resid 14   and name HD2%)
 OR { 1434}
   (( segid "    " and resid 10   and name HB1 ))
   (  segid "    " and resid 52   and name HD1%)
 ASSI { 1435}
   (( segid "    " and resid 10   and name HB1 ))
   (  segid "    " and resid 75   and name HD1%)
      3.600     1.600     1.600 peak  1435 spectrum    1 weight  0.10000E+01 volume  0.14609E-02 ppm1      2.338 ppm2      0.792 CV     1
 OR { 1435}
   (( segid "    " and resid 10   and name HB1 ))
   (  segid "    " and resid 14   and name HD1%)
 ASSI { 1436}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 34   and name HB2 ))
      3.900     1.900     1.900 peak  1436 spectrum    1 weight  0.10000E+01 volume  0.56506E-03 ppm1      3.094 ppm2      1.842 CV     1
 OR { 1436}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 38   and name HG11))
 ASSI { 1437}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 34   and name HB2 ))
      3.300     1.300     1.300 peak  1437 spectrum    1 weight  0.10000E+01 volume  0.72799E-03 ppm1      2.994 ppm2      1.845 CV     1
 OR { 1437}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 38   and name HG11))
 ASSI { 1438}
   (( segid "    " and resid 8    and name HB2 ))
   (  segid "    " and resid 7    and name HG2%)
      4.400     2.500     1.600 peak  1438 spectrum    1 weight  0.10000E+01 volume  0.79949E-03 ppm1      2.704 ppm2      1.385 CV     1
 OR { 1438}
   (( segid "    " and resid 8    and name HB1 ))
   (  segid "    " and resid 7    and name HG2%)
 OR { 1438}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 11   and name HG1 ))
 OR { 1438}
   (( segid "    " and resid 9    and name HB2 ))
   (  segid "    " and resid 7    and name HG2%)
 OR { 1438}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 11   and name HG1 ))
 ASSI { 1439}
   (( segid "    " and resid 9    and name HB2 ))
   (  segid "    " and resid 52   and name HD2%)
      4.700     2.700     1.300 peak  1439 spectrum    1 weight  0.10000E+01 volume  0.44793E-03 ppm1      2.700 ppm2      1.033 CV     1
 OR { 1439}
   (( segid "    " and resid 9    and name HB2 ))
   (  segid "    " and resid 10   and name HD1%)
 OR { 1439}
   (( segid "    " and resid 8    and name HB2 ))
   (  segid "    " and resid 10   and name HD1%)
 OR { 1439}
   (( segid "    " and resid 8    and name HB1 ))
   (  segid "    " and resid 10   and name HD1%)
 ASSI { 1449}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 7    and name HA  ))
      2.900     1.000     1.000 peak  1449 spectrum    1 weight  0.10000E+01 volume  0.16575E-02 ppm1      2.337 ppm2      3.869 CV     1
 OR { 1449}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 75   and name HA  ))
 ASSI { 1456}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 9    and name HA  ))
      2.600     0.900     0.900 peak  1456 spectrum    1 weight  0.10000E+01 volume  0.58777E-02 ppm1      2.701 ppm2      4.555 CV     1
 OR { 1456}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 9    and name HA  ))
 ASSI { 1459}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 9    and name HA  ))
      2.800     1.000     1.000 peak  1459 spectrum    1 weight  0.10000E+01 volume  0.30135E-02 ppm1      3.040 ppm2      4.546 CV     1
 OR { 1459}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 5    and name HA  ))
 ASSI { 1464}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 32   and name HN  ))
      2.800     1.000     1.000 peak  1464 spectrum    1 weight  0.10000E+01 volume  0.38995E-02 ppm1      3.032 ppm2      8.052 CV     1
 OR { 1464}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 10   and name HN  ))
 ASSI { 1466}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 38   and name HN  ))
      3.700     1.700     1.700 peak  1466 spectrum    1 weight  0.10000E+01 volume  0.47910E-03 ppm1      3.090 ppm2      7.713 CV     1
 OR { 1466}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 39   and name HN  ))
 ASSI { 1467}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 38   and name HN  ))
      4.300     2.300     1.700 peak  1467 spectrum    1 weight  0.10000E+01 volume  0.66613E-03 ppm1      3.004 ppm2      7.708 CV     1
 OR { 1467}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 39   and name HN  ))
 ASSI { 1474}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 10   and name HN  ))
      2.500     0.800     0.800 peak  1474 spectrum    1 weight  0.10000E+01 volume  0.43360E-02 ppm1      2.338 ppm2      8.072 CV     1
 OR { 1474}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HN  ))
 ASSI { 1475}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 10   and name HN  ))
      2.900     1.100     1.100 peak  1475 spectrum    1 weight  0.10000E+01 volume  0.21685E-02 ppm1      2.701 ppm2      8.075 CV     1
 OR { 1475}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 10   and name HN  ))
 ASSI { 1479}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 33   and name HN  ))
      3.900     1.900     1.900 peak  1479 spectrum    1 weight  0.10000E+01 volume  0.77280E-03 ppm1      2.350 ppm2      7.208 CV     1
 OR { 1479}
   (( segid "    " and resid 10   and name HB1 ))
   (  segid "    " and resid 30   and name HE% )
 ASSI { 1483}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 6    and name HN  ))
      2.900     1.100     1.100 peak  1483 spectrum    1 weight  0.10000E+01 volume  0.19816E-02 ppm1      2.699 ppm2      9.008 CV     1
 OR { 1483}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 6    and name HN  ))
 ASSI { 1486}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 34   and name HN  ))
      3.900     1.900     1.900 peak  1486 spectrum    1 weight  0.10000E+01 volume  0.41766E-03 ppm1      3.087 ppm2      8.461 CV     1
 OR { 1486}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 35   and name HN  ))
 ASSI { 1487}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 34   and name HN  ))
      3.900     1.900     1.900 peak  1487 spectrum    1 weight  0.10000E+01 volume  0.54737E-03 ppm1      2.997 ppm2      8.457 CV     1
 OR { 1487}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 35   and name HN  ))
 ASSI { 1494}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 32   and name HN  ))
      3.700     1.700     1.700 peak  1494 spectrum    1 weight  0.10000E+01 volume  0.18863E-02 ppm1      1.625 ppm2      8.055 CV     1
 OR { 1494}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 30   and name HN  ))
 ASSI { 1495}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 46   and name HN  ))
      3.700     1.700     1.700 peak  1495 spectrum    1 weight  0.10000E+01 volume  0.15784E-02 ppm1      1.644 ppm2      8.234 CV     1
 OR { 1495}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 65   and name HN  ))
 ASSI { 1496}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 46   and name HN  ))
      2.700     0.900     0.900 peak  1496 spectrum    1 weight  0.10000E+01 volume  0.15297E-02 ppm1      1.500 ppm2      8.232 CV     1
 OR { 1496}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 65   and name HN  ))
 ASSI { 1512}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 46   and name HA  ))
      3.900     1.900     1.900 peak  1512 spectrum    1 weight  0.10000E+01 volume  0.15854E-02 ppm1      1.642 ppm2      4.273 CV     1
 OR { 1512}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 42   and name HA  ))
 ASSI { 1516}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 42   and name HA  ))
      3.100     1.200     1.200 peak  1516 spectrum    1 weight  0.10000E+01 volume  0.24086E-02 ppm1      1.496 ppm2      4.268 CV     1
 OR { 1516}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 46   and name HA  ))
 ASSI { 1522}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 74   and name HB1 ))
      1.700     0.400     0.500 peak  1522 spectrum    1 weight  0.10000E+01 volume  0.81332E-02 ppm1      1.696 ppm2      2.423 CV     1
 OR { 1522}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 68   and name HB  ))
 ASSI { 1524}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HG  ))
      3.000     1.100     1.100 peak  1524 spectrum    1 weight  0.10000E+01 volume  0.21823E-02 ppm1      1.435 ppm2      1.885 CV     1
 OR { 1524}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 10   and name HG  ))
 ASSI { 1528}
   (( segid "    " and resid 45   and name HB1 ))
   (  segid "    " and resid 65   and name HB% )
      2.800     1.000     1.000 peak  1528 spectrum    1 weight  0.10000E+01 volume  0.24877E-02 ppm1      1.645 ppm2      1.368 CV     1
 OR { 1528}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 45   and name HG  ))
 ASSI { 1551}
   (( segid "    " and resid 75   and name HB2 ))
   (  segid "    " and resid 75   and name HD1%)
      2.700     0.900     0.900 peak  1551 spectrum    1 weight  0.10000E+01 volume  0.24487E-02 ppm1      1.564 ppm2      0.798 CV     1
 OR { 1551}
   (( segid "    " and resid 10   and name HB2 ))
   (  segid "    " and resid 75   and name HD1%)
 ASSI { 1556}
   (( segid "    " and resid 10   and name HB2 ))
   (  segid "    " and resid 5    and name HD1%)
      3.100     1.200     1.200 peak  1556 spectrum    1 weight  0.10000E+01 volume  0.10586E-02 ppm1      1.566 ppm2      0.623 CV     1
 OR { 1556}
   (( segid "    " and resid 75   and name HB2 ))
   (  segid "    " and resid 5    and name HD1%)
 ASSI { 1561}
   (( segid "    " and resid 33   and name HB1 ))
   (  segid "    " and resid 38   and name HG2%)
      2.600     0.800     0.800 peak  1561 spectrum    1 weight  0.10000E+01 volume  0.46497E-02 ppm1      1.772 ppm2      1.064 CV     1
 OR { 1561}
   (( segid "    " and resid 33   and name HB1 ))
   (  segid "    " and resid 33   and name HD2%)
 ASSI { 1564}
   (( segid "    " and resid 77   and name HB2 ))
   (  segid "    " and resid 77   and name HD2%)
      2.600     0.900     0.900 peak  1564 spectrum    1 weight  0.10000E+01 volume  0.45874E-02 ppm1      1.912 ppm2      0.961 CV     1
 OR { 1564}
   (( segid "    " and resid 77   and name HB2 ))
   (  segid "    " and resid 77   and name HD1%)
 OR { 1564}
   (( segid "    " and resid 77   and name HB2 ))
   (  segid "    " and resid 64   and name HG1%)
 ASSI { 1565}
   (( segid "    " and resid 77   and name HB1 ))
   (  segid "    " and resid 77   and name HD1%)
      2.300     0.700     0.700 peak  1565 spectrum    1 weight  0.10000E+01 volume  0.71917E-02 ppm1      2.018 ppm2      0.975 CV     1
 OR { 1565}
   (( segid "    " and resid 82   and name HB1 ))
   (  segid "    " and resid 82   and name HD1%)
 OR { 1565}
   (( segid "    " and resid 82   and name HB1 ))
   (  segid "    " and resid 82   and name HD2%)
 OR { 1565}
   (( segid "    " and resid 77   and name HB1 ))
   (  segid "    " and resid 77   and name HD2%)
 ASSI { 1586}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 4    and name HB1 ))
      1.500     0.300     0.700 peak  1586 spectrum    1 weight  0.10000E+01 volume  0.16150E-01 ppm1      1.480 ppm2      1.607 CV     1
 OR { 1586}
   (( segid "    " and resid 4    and name HB2 ))
   (  segid "    " and resid 83   and name HB% )
 ASSI { 1587}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 75   and name HG  ))
      2.800     1.000     1.000 peak  1587 spectrum    1 weight  0.10000E+01 volume  0.44837E-02 ppm1      1.543 ppm2      1.687 CV     1
 OR { 1587}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 4    and name HG  ))
 ASSI { 1588}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 4    and name HG  ))
      2.100     0.500     0.500 peak  1588 spectrum    1 weight  0.10000E+01 volume  0.70702E-02 ppm1      1.600 ppm2      1.712 CV     1
 OR { 1588}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 75   and name HG  ))
 ASSI { 1589}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 72   and name HG1 ))
      2.700     0.900     0.900 peak  1589 spectrum    1 weight  0.10000E+01 volume  0.33509E-02 ppm1      3.017 ppm2      1.643 CV     1
 OR { 1589}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 31   and name HB1 ))
 ASSI { 1591}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 72   and name HG1 ))
      2.700     0.900     0.900 peak  1591 spectrum    1 weight  0.10000E+01 volume  0.37336E-02 ppm1      3.493 ppm2      1.646 CV     1
 OR { 1591}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 31   and name HB1 ))
 ASSI { 1602}
   (( segid "    " and resid 77   and name HB1 ))
   (( segid "    " and resid 77   and name HA  ))
      2.700     0.900     0.900 peak  1602 spectrum    1 weight  0.10000E+01 volume  0.44488E-02 ppm1      2.033 ppm2      4.280 CV     1
 OR { 1602}
   (( segid "    " and resid 77   and name HB1 ))
   (( segid "    " and resid 74   and name HA  ))
 ASSI { 1603}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 77   and name HA  ))
      2.700     0.900     0.900 peak  1603 spectrum    1 weight  0.10000E+01 volume  0.31550E-02 ppm1      1.911 ppm2      4.282 CV     1
 OR { 1603}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 74   and name HA  ))
 ASSI { 1617}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 4    and name HA  ))
      2.300     0.700     0.700 peak  1617 spectrum    1 weight  0.10000E+01 volume  0.34076E-02 ppm1      1.599 ppm2      4.368 CV     1
 OR { 1617}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 3    and name HA  ))
 ASSI { 1645}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 75   and name HN  ))
      2.300     0.600     0.600 peak  1645 spectrum    1 weight  0.10000E+01 volume  0.65312E-02 ppm1      2.193 ppm2      8.714 CV     1
 OR { 1645}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 76   and name HN  ))
 ASSI { 1646}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 75   and name HN  ))
      2.500     0.800     0.800 peak  1646 spectrum    1 weight  0.10000E+01 volume  0.49325E-02 ppm1      1.544 ppm2      8.718 CV     1
 OR { 1646}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 76   and name HN  ))
 ASSI { 1648}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 5    and name HN  ))
      2.800     1.000     1.000 peak  1648 spectrum    1 weight  0.10000E+01 volume  0.42350E-02 ppm1      1.593 ppm2      9.416 CV     1
 OR { 1648}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 5    and name HN  ))
 ASSI { 1668}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 51   and name HB1 ))
      2.800     1.000     1.000 peak  1668 spectrum    1 weight  0.10000E+01 volume  0.33417E-02 ppm1      3.442 ppm2      2.180 CV     1
 OR { 1668}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 34   and name HB1 ))
 ASSI { 1673}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 51   and name HB2 ))
      2.700     0.900     0.900 peak  1673 spectrum    1 weight  0.10000E+01 volume  0.53747E-02 ppm1      3.304 ppm2      2.017 CV     1
 OR { 1673}
   (( segid "    " and resid 12   and name HD2 ))
   (( segid "    " and resid 12   and name HB1 ))
 OR { 1673}
   (( segid "    " and resid 12   and name HD2 ))
   (( segid "    " and resid 12   and name HB2 ))
 ASSI { 1674}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 51   and name HG1 ))
      2.400     0.700     0.700 peak  1674 spectrum    1 weight  0.10000E+01 volume  0.49784E-02 ppm1      3.442 ppm2      1.957 CV     1
 OR { 1674}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 34   and name HG1 ))
 ASSI { 1675}
   (( segid "    " and resid 12   and name HD1 ))
   (( segid "    " and resid 12   and name HG1 ))
      2.400     0.700     0.700 peak  1675 spectrum    1 weight  0.10000E+01 volume  0.54373E-02 ppm1      3.359 ppm2      1.924 CV     1
 OR { 1675}
   (( segid "    " and resid 34   and name HD2 ))
   (( segid "    " and resid 34   and name HG1 ))
 ASSI { 1678}
   (( segid "    " and resid 12   and name HD2 ))
   (( segid "    " and resid 12   and name HG2 ))
      2.400     0.700     0.700 peak  1678 spectrum    1 weight  0.10000E+01 volume  0.57530E-02 ppm1      3.303 ppm2      1.712 CV     1
 OR { 1678}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 51   and name HG2 ))
 ASSI { 1682}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 13   and name HA  ))
      4.000     2.000     2.000 peak  1682 spectrum    1 weight  0.10000E+01 volume  0.57933E-03 ppm1      3.444 ppm2      4.400 CV     1
 OR { 1682}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 14   and name HA  ))
 ASSI { 1683}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 13   and name HA  ))
      3.700     1.800     1.800 peak  1683 spectrum    1 weight  0.10000E+01 volume  0.73273E-03 ppm1      3.301 ppm2      4.403 CV     1
 OR { 1683}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 14   and name HA  ))
 ASSI { 1694}
   (( segid "    " and resid 12   and name HD2 ))
   (( segid "    " and resid 9    and name HA  ))
      4.100     2.100     1.900 peak  1694 spectrum    1 weight  0.10000E+01 volume  0.44280E-03 ppm1      3.307 ppm2      4.553 CV     1
 OR { 1694}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 17   and name HA  ))
 ASSI { 1697}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 17   and name HB2 ))
      4.700     2.800     1.300 peak  1697 spectrum    1 weight  0.10000E+01 volume  0.47152E-03 ppm1      3.310 ppm2      4.033 CV     1
 OR { 1697}
   (( segid "    " and resid 12   and name HD2 ))
   (( segid "    " and resid 12   and name HA  ))
 ASSI { 1710}
   (( segid "    " and resid 34   and name HD2 ))
   (( segid "    " and resid 34   and name HE  ))
      3.100     1.200     1.200 peak  1710 spectrum    1 weight  0.10000E+01 volume  0.17469E-02 ppm1      3.351 ppm2      7.982 CV     1
 OR { 1710}
   (( segid "    " and resid 12   and name HD1 ))
   (( segid "    " and resid 12   and name HN  ))
 ASSI { 1712}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 51   and name HE  ))
      3.100     1.200     1.200 peak  1712 spectrum    1 weight  0.10000E+01 volume  0.13662E-02 ppm1      3.304 ppm2      7.540 CV     1
 OR { 1712}
   (( segid "    " and resid 12   and name HD2 ))
   (( segid "    " and resid 12   and name HE  ))
 ASSI { 1714}
   (( segid "    " and resid 34   and name HD2 ))
   (( segid "    " and resid 34   and name HN  ))
      4.900     3.000     1.100 peak  1714 spectrum    1 weight  0.10000E+01 volume  0.62279E-03 ppm1      3.350 ppm2      8.461 CV     1
 OR { 1714}
   (( segid "    " and resid 34   and name HD2 ))
   (( segid "    " and resid 35   and name HN  ))
 ASSI { 1715}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 34   and name HN  ))
      4.900     3.000     1.100 peak  1715 spectrum    1 weight  0.10000E+01 volume  0.42885E-03 ppm1      3.442 ppm2      8.457 CV     1
 OR { 1715}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 35   and name HN  ))
 ASSI { 1718}
   (( segid "    " and resid 19   and name HA1 ))
   (( segid "    " and resid 20   and name HN  ))
      2.300     0.600     0.600 peak  1718 spectrum    1 weight  0.10000E+01 volume  0.13434E-01 ppm1      4.072 ppm2      8.489 CV     1
 OR { 1718}
   (( segid "    " and resid 23   and name HA1 ))
   (( segid "    " and resid 23   and name HN  ))
 OR { 1718}
   (( segid "    " and resid 23   and name HA2 ))
   (( segid "    " and resid 23   and name HN  ))
 OR { 1718}
   (( segid "    " and resid 19   and name HA2 ))
   (( segid "    " and resid 20   and name HN  ))
 ASSI { 1734}
   (( segid "    " and resid 23   and name HA1 ))
   (  segid "    " and resid 24   and name HG2%)
      3.700     1.700     1.700 peak  1734 spectrum    1 weight  0.10000E+01 volume  0.10299E-02 ppm1      4.076 ppm2      1.263 CV     1
 OR { 1734}
   (( segid "    " and resid 23   and name HA2 ))
   (  segid "    " and resid 24   and name HG2%)
 OR { 1734}
   (( segid "    " and resid 19   and name HA1 ))
   (  segid "    " and resid 21   and name HG2%)
 ASSI { 1736}
   (( segid "    " and resid 23   and name HA1 ))
   (  segid "    " and resid 15   and name HG1%)
      2.900     1.000     1.000 peak  1736 spectrum    1 weight  0.10000E+01 volume  0.11160E-02 ppm1      4.075 ppm2      1.041 CV     1
 OR { 1736}
   (( segid "    " and resid 19   and name HA2 ))
   (  segid "    " and resid 15   and name HG1%)
 OR { 1736}
   (( segid "    " and resid 23   and name HA2 ))
   (  segid "    " and resid 15   and name HG1%)
 OR { 1736}
   (( segid "    " and resid 19   and name HA1 ))
   (  segid "    " and resid 15   and name HG1%)
 OR { 1736}
   (( segid "    " and resid 23   and name HA2 ))
   (  segid "    " and resid 38   and name HG2%)
 ASSI { 1739}
   (( segid "    " and resid 19   and name HA2 ))
   (  segid "    " and resid 18   and name HB% )
      2.800     1.000     1.000 peak  1739 spectrum    1 weight  0.10000E+01 volume  0.12714E-02 ppm1      4.075 ppm2      1.541 CV     1
 OR { 1739}
   (( segid "    " and resid 19   and name HA1 ))
   (  segid "    " and resid 18   and name HB% )
 OR { 1739}
   (( segid "    " and resid 23   and name HA1 ))
   (  segid "    " and resid 18   and name HB% )
 OR { 1739}
   (( segid "    " and resid 23   and name HA2 ))
   (  segid "    " and resid 18   and name HB% )
 ASSI { 1747}
   (( segid "    " and resid 80   and name HA2 ))
   (  segid "    " and resid 83   and name HB% )
      3.000     1.100     1.100 peak  1747 spectrum    1 weight  0.10000E+01 volume  0.35053E-02 ppm1      4.024 ppm2      1.607 CV     1
 OR { 1747}
   (( segid "    " and resid 80   and name HA1 ))
   (  segid "    " and resid 81   and name HB% )
 OR { 1747}
   (( segid "    " and resid 80   and name HA1 ))
   (  segid "    " and resid 83   and name HB% )
 OR { 1747}
   (( segid "    " and resid 80   and name HA2 ))
   (  segid "    " and resid 81   and name HB% )
 OR { 1747}
   (( segid "    " and resid 80   and name HA1 ))
   (( segid "    " and resid 4    and name HB1 ))
 ASSI { 1751}
   (( segid "    " and resid 57   and name HA1 ))
   (( segid "    " and resid 58   and name HA  ))
      3.600     1.600     1.600 peak  1751 spectrum    1 weight  0.10000E+01 volume  0.10202E-02 ppm1      4.090 ppm2      4.682 CV     1
 OR { 1751}
   (( segid "    " and resid 57   and name HA2 ))
   (( segid "    " and resid 58   and name HA  ))
 OR { 1751}
   (( segid "    " and resid 57   and name HA1 ))
   (( segid "    " and resid 56   and name HA  ))
 ASSI { 1758}
   (( segid "    " and resid 71   and name HD2 ))
   (  segid "    " and resid 38   and name HD1%)
      3.400     1.400     1.400 peak  1758 spectrum    1 weight  0.10000E+01 volume  0.63226E-03 ppm1      2.806 ppm2      0.872 CV     1
 OR { 1758}
   (( segid "    " and resid 71   and name HD2 ))
   (  segid "    " and resid 14   and name HD2%)
 OR { 1758}
   (( segid "    " and resid 71   and name HD2 ))
   (  segid "    " and resid 75   and name HD2%)
 ASSI { 1759}
   (( segid "    " and resid 61   and name HD2 ))
   (  segid "    " and resid 64   and name HG2%)
      2.200     0.600     0.600 peak  1759 spectrum    1 weight  0.10000E+01 volume  0.61053E-02 ppm1      3.572 ppm2      1.022 CV     1
 OR { 1759}
   (( segid "    " and resid 61   and name HD2 ))
   (  segid "    " and resid 60   and name HG2%)
 ASSI { 1761}
   (( segid "    " and resid 61   and name HD1 ))
   (  segid "    " and resid 64   and name HG2%)
      3.600     1.600     1.600 peak  1761 spectrum    1 weight  0.10000E+01 volume  0.39831E-02 ppm1      4.011 ppm2      1.020 CV     1
 OR { 1761}
   (( segid "    " and resid 61   and name HD1 ))
   (  segid "    " and resid 60   and name HG2%)
 ASSI { 1789}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 35   and name HN  ))
      3.200     1.300     1.300 peak  1789 spectrum    1 weight  0.10000E+01 volume  0.46731E-03 ppm1      2.807 ppm2      8.460 CV     1
 OR { 1789}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 34   and name HN  ))
 ASSI { 1808}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
      2.400     0.700     0.700 peak  1808 spectrum    1 weight  0.10000E+01 volume  0.94466E-02 ppm1      4.720 ppm2      8.469 CV     1
 OR { 1808}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
 OR { 1808}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
 ASSI { 1819}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 70   and name HG2%)
      3.300     1.400     1.400 peak  1819 spectrum    1 weight  0.10000E+01 volume  0.16796E-02 ppm1      5.047 ppm2      1.070 CV     1
 OR { 1819}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 33   and name HD2%)
 ASSI { 1824}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 33   and name HD2%)
      3.000     1.200     1.200 peak  1824 spectrum    1 weight  0.10000E+01 volume  0.25483E-02 ppm1      4.311 ppm2      1.065 CV     1
 OR { 1824}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 38   and name HG2%)
 ASSI { 1837}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 84   and name HB2 ))
      3.400     1.400     1.400 peak  1837 spectrum    1 weight  0.10000E+01 volume  0.10663E-02 ppm1      4.455 ppm2      2.134 CV     1
 OR { 1837}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 58   and name HB  ))
 ASSI { 1851}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 83   and name HN  ))
      4.400     2.400     1.600 peak  1851 spectrum    1 weight  0.10000E+01 volume  0.42515E-03 ppm1      4.453 ppm2      7.957 CV     1
 OR { 1851}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 86   and name HN  ))
 ASSI { 1858}
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 64   and name HG1%)
      2.700     0.900     0.900 peak  1858 spectrum    1 weight  0.10000E+01 volume  0.46342E-02 ppm1      3.983 ppm2      0.967 CV     1
 OR { 1858}
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 77   and name HD2%)
 OR { 1858}
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 77   and name HD1%)
 OR { 1858}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 74   and name HG  ))
 ASSI { 1867}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 82   and name HD1%)
      2.300     0.700     0.700 peak  1867 spectrum    1 weight  0.10000E+01 volume  0.42221E-02 ppm1      4.364 ppm2      0.979 CV     1
 OR { 1867}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 4    and name HD2%)
 OR { 1867}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 82   and name HD2%)
 ASSI { 1868}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 78   and name HG2%)
      2.600     0.800     0.800 peak  1868 spectrum    1 weight  0.10000E+01 volume  0.73447E-02 ppm1      4.365 ppm2      0.883 CV     1
 OR { 1868}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 4    and name HD1%)
 ASSI { 1878}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 12   and name HB2 ))
      3.500     1.500     1.500 peak  1878 spectrum    1 weight  0.10000E+01 volume  0.13379E-02 ppm1      4.394 ppm2      2.022 CV     1
 OR { 1878}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 12   and name HB1 ))
 OR { 1878}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 51   and name HB2 ))
 OR { 1878}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 52   and name HG  ))
 OR { 1878}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI { 1879}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 47   and name HB1 ))
      2.700     0.900     0.900 peak  1879 spectrum    1 weight  0.10000E+01 volume  0.30045E-02 ppm1      4.309 ppm2      2.341 CV     1
 OR { 1879}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 46   and name HB2 ))
 ASSI { 1926}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      2.300     0.700     0.700 peak  1926 spectrum    1 weight  0.10000E+01 volume  0.58450E-02 ppm1      4.734 ppm2      8.453 CV     1
 OR { 1926}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
 ASSI { 1942}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 74   and name HD2%)
      3.600     1.600     1.600 peak  1942 spectrum    1 weight  0.10000E+01 volume  0.17025E-02 ppm1      3.950 ppm2      1.040 CV     1
 OR { 1942}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 52   and name HD2%)
 OR { 1942}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 74   and name HD1%)
 OR { 1942}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 10   and name HD1%)
 OR { 1942}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 60   and name HG2%)
 ASSI { 1943}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 52   and name HD1%)
      2.500     0.800     0.800 peak  1943 spectrum    1 weight  0.10000E+01 volume  0.47370E-02 ppm1      3.950 ppm2      0.855 CV     1
 OR { 1943}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 60   and name HD1%)
 ASSI { 1952}
   (( segid "    " and resid 84   and name HA  ))
   (  segid "    " and resid 83   and name HB% )
      3.900     1.900     1.900 peak  1952 spectrum    1 weight  0.10000E+01 volume  0.76959E-03 ppm1      4.390 ppm2      1.595 CV     1
 OR { 1952}
   (( segid "    " and resid 84   and name HA  ))
   (  segid "    " and resid 85   and name HB% )
 ASSI { 1965}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
      3.300     1.400     1.400 peak  1965 spectrum    1 weight  0.10000E+01 volume  0.12558E-02 ppm1      3.301 ppm2      8.051 CV     1
 OR { 1965}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
 ASSI { 1968}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      3.700     1.700     1.700 peak  1968 spectrum    1 weight  0.10000E+01 volume  0.65486E-03 ppm1      3.297 ppm2      7.209 CV     1
 OR { 1968}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 30   and name HE% )
 ASSI { 1972}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      3.300     1.400     1.400 peak  1972 spectrum    1 weight  0.10000E+01 volume  0.11713E-02 ppm1      3.894 ppm2      8.246 CV     1
 OR { 1972}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 78   and name HN  ))
 OR { 1972}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
 ASSI { 1974}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 55   and name HN  ))
      3.200     1.300     1.300 peak  1974 spectrum    1 weight  0.10000E+01 volume  0.13676E-02 ppm1      4.309 ppm2      8.108 CV     1
 OR { 1974}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 56   and name HN  ))
 OR { 1974}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
 ASSI { 1980}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      3.000     1.100     1.100 peak  1980 spectrum    1 weight  0.10000E+01 volume  0.16940E-02 ppm1      4.743 ppm2      8.050 CV     1
 OR { 1980}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
 ASSI { 1998}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 72   and name HB1 ))
      4.800     2.800     1.200 peak  1998 spectrum    1 weight  0.10000E+01 volume  0.50752E-03 ppm1      3.301 ppm2      1.870 CV     1
 OR { 1998}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 10   and name HG  ))
 ASSI { 2001}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 78   and name HB  ))
      2.900     1.100     1.100 peak  2001 spectrum    1 weight  0.10000E+01 volume  0.20151E-02 ppm1      3.888 ppm2      1.936 CV     1
 OR { 2001}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 77   and name HB2 ))
 ASSI { 2003}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HB2 ))
      2.500     0.800     0.800 peak  2003 spectrum    1 weight  0.10000E+01 volume  0.46834E-02 ppm1      3.888 ppm2      1.535 CV     1
 OR { 2003}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HB2 ))
 OR { 2003}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 44   and name HB% )
 ASSI { 2004}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 10   and name HD2%)
      3.200     1.300     1.300 peak  2004 spectrum    1 weight  0.10000E+01 volume  0.23777E-02 ppm1      3.892 ppm2      1.123 CV     1
 OR { 2004}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 48   and name HG2%)
 ASSI { 2005}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 74   and name HD2%)
      3.500     1.500     1.500 peak  2005 spectrum    1 weight  0.10000E+01 volume  0.10176E-02 ppm1      3.888 ppm2      1.049 CV     1
 OR { 2005}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 10   and name HD1%)
 OR { 2005}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 74   and name HD1%)
 OR { 2005}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 74   and name HD1%)
 OR { 2005}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 74   and name HD2%)
 ASSI { 2016}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 75   and name HN  ))
      3.500     1.500     1.500 peak  2016 spectrum    1 weight  0.10000E+01 volume  0.89473E-03 ppm1      4.307 ppm2      8.719 CV     1
 OR { 2016}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 76   and name HN  ))
 ASSI { 2023}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
      3.200     1.300     1.300 peak  2023 spectrum    1 weight  0.10000E+01 volume  0.14620E-02 ppm1      4.267 ppm2      8.495 CV     1
 OR { 2023}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
 ASSI { 2024}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      2.400     0.700     0.700 peak  2024 spectrum    1 weight  0.10000E+01 volume  0.70033E-02 ppm1      4.268 ppm2      8.234 CV     1
 OR { 2024}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
 OR { 2024}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 65   and name HN  ))
 ASSI { 2029}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      3.400     1.400     1.400 peak  2029 spectrum    1 weight  0.10000E+01 volume  0.84686E-03 ppm1      4.406 ppm2      7.820 CV     1
 OR { 2029}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
 ASSI { 2031}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HB2 ))
      2.400     0.700     0.700 peak  2031 spectrum    1 weight  0.10000E+01 volume  0.67816E-02 ppm1      4.485 ppm2      2.741 CV     1
 OR { 2031}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 79   and name HB2 ))
 ASSI { 2034}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HG2 ))
      2.700     0.900     0.900 peak  2034 spectrum    1 weight  0.10000E+01 volume  0.29959E-02 ppm1      4.268 ppm2      2.749 CV     1
 OR { 2034}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 46   and name HG2 ))
 OR { 2034}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 76   and name HB1 ))
 ASSI { 2035}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HB1 ))
      3.000     1.100     1.100 peak  2035 spectrum    1 weight  0.10000E+01 volume  0.25076E-02 ppm1      4.307 ppm2      2.420 CV     1
 OR { 2035}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 68   and name HB  ))
 ASSI { 2036}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HB1 ))
      2.300     0.700     0.700 peak  2036 spectrum    1 weight  0.10000E+01 volume  0.84986E-02 ppm1      4.268 ppm2      2.323 CV     1
 OR { 2036}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HB2 ))
 OR { 2036}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 46   and name HB2 ))
 ASSI { 2039}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 47   and name HB2 ))
      3.700     1.700     1.700 peak  2039 spectrum    1 weight  0.10000E+01 volume  0.19063E-02 ppm1      4.267 ppm2      2.194 CV     1
 OR { 2039}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 64   and name HB  ))
 OR { 2039}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 47   and name HB2 ))
 OR { 2039}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 64   and name HB  ))
 ASSI { 2044}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 12   and name HB2 ))
      2.900     1.100     1.100 peak  2044 spectrum    1 weight  0.10000E+01 volume  0.32909E-02 ppm1      4.553 ppm2      2.023 CV     1
 OR { 2044}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 11   and name HB1 ))
 OR { 2044}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 12   and name HB1 ))
 OR { 2044}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
 ASSI { 2050}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 14   and name HB1 ))
      4.900     3.000     1.100 peak  2050 spectrum    1 weight  0.10000E+01 volume  0.27754E-03 ppm1      4.204 ppm2      2.009 CV     1
 OR { 2050}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 12   and name HB2 ))
 OR { 2050}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 12   and name HB1 ))
 OR { 2050}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 71   and name HB2 ))
 ASSI { 2053}
   (( segid "    " and resid 74   and name HA  ))
   (  segid "    " and resid 49   and name HB% )
      3.300     1.400     1.400 peak  2053 spectrum    1 weight  0.10000E+01 volume  0.37858E-02 ppm1      4.303 ppm2      1.514 CV     1
 OR { 2053}
   (( segid "    " and resid 52   and name HA  ))
   (  segid "    " and resid 49   and name HB% )
 OR { 2053}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 60   and name HG11))
 ASSI { 2054}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HB2 ))
      2.300     0.700     0.700 peak  2054 spectrum    1 weight  0.10000E+01 volume  0.49057E-02 ppm1      4.309 ppm2      1.696 CV     1
 OR { 2054}
   (( segid "    " and resid 52   and name HA  ))
   (  segid "    " and resid 13   and name HB% )
 ASSI { 2057}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 49   and name HB% )
      3.000     1.100     1.100 peak  2057 spectrum    1 weight  0.10000E+01 volume  0.36180E-02 ppm1      4.266 ppm2      1.528 CV     1
 OR { 2057}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 45   and name HB2 ))
 OR { 2057}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 45   and name HB2 ))
 OR { 2057}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 44   and name HB% )
 ASSI { 2058}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HB1 ))
      2.200     0.600     0.600 peak  2058 spectrum    1 weight  0.10000E+01 volume  0.83439E-02 ppm1      4.275 ppm2      1.901 CV     1
 OR { 2058}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HB2 ))
 ASSI { 2059}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HB2 ))
      2.600     0.800     0.800 peak  2059 spectrum    1 weight  0.10000E+01 volume  0.75505E-02 ppm1      4.274 ppm2      1.827 CV     1
 OR { 2059}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HG  ))
 ASSI { 2068}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 48   and name HG2%)
      3.000     1.100     1.100 peak  2068 spectrum    1 weight  0.10000E+01 volume  0.28879E-02 ppm1      4.404 ppm2      1.126 CV     1
 OR { 2068}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 15   and name HG2%)
 ASSI { 2069}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 75   and name HD2%)
      3.600     1.600     1.600 peak  2069 spectrum    1 weight  0.10000E+01 volume  0.10053E-02 ppm1      4.489 ppm2      0.872 CV     1
 OR { 2069}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 4    and name HD1%)
 OR { 2069}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 78   and name HG2%)
 OR { 2069}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 52   and name HD1%)
 ASSI { 2070}
   (( segid "    " and resid 52   and name HA  ))
   (  segid "    " and resid 52   and name HD2%)
      2.100     0.500     0.500 peak  2070 spectrum    1 weight  0.10000E+01 volume  0.13211E-01 ppm1      4.310 ppm2      1.046 CV     1
 OR { 2070}
   (( segid "    " and resid 74   and name HA  ))
   (  segid "    " and resid 74   and name HD2%)
 OR { 2070}
   (( segid "    " and resid 74   and name HA  ))
   (  segid "    " and resid 74   and name HD1%)
 ASSI { 2071}
   (( segid "    " and resid 52   and name HA  ))
   (  segid "    " and resid 52   and name HD1%)
      3.900     1.900     1.900 peak  2071 spectrum    1 weight  0.10000E+01 volume  0.19024E-02 ppm1      4.309 ppm2      0.854 CV     1
 OR { 2071}
   (( segid "    " and resid 52   and name HA  ))
   (  segid "    " and resid 78   and name HG2%)
 OR { 2071}
   (( segid "    " and resid 52   and name HA  ))
   (  segid "    " and resid 60   and name HD1%)
 ASSI { 2072}
   (( segid "    " and resid 77   and name HA  ))
   (  segid "    " and resid 77   and name HD2%)
      2.600     0.800     0.800 peak  2072 spectrum    1 weight  0.10000E+01 volume  0.10399E-01 ppm1      4.274 ppm2      0.965 CV     1
 OR { 2072}
   (( segid "    " and resid 77   and name HA  ))
   (  segid "    " and resid 77   and name HD1%)
 OR { 2072}
   (( segid "    " and resid 77   and name HA  ))
   (  segid "    " and resid 64   and name HG1%)
 ASSI { 2073}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 10   and name HD2%)
      4.400     2.400     1.600 peak  2073 spectrum    1 weight  0.10000E+01 volume  0.10668E-02 ppm1      4.212 ppm2      1.141 CV     1
 OR { 2073}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 48   and name HG2%)
 ASSI { 2075}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 52   and name HD1%)
      3.600     1.600     1.600 peak  2075 spectrum    1 weight  0.10000E+01 volume  0.14688E-02 ppm1      4.212 ppm2      0.870 CV     1
 OR { 2075}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 14   and name HD2%)
 OR { 2075}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 75   and name HD2%)
 ASSI { 2076}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 75   and name HD1%)
      4.400     2.400     1.600 peak  2076 spectrum    1 weight  0.10000E+01 volume  0.81386E-03 ppm1      4.205 ppm2      0.791 CV     1
 OR { 2076}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 14   and name HD1%)
 OR { 2076}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 78   and name HD1%)
 ASSI { 2097}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 60   and name HG2%)
      2.500     0.800     0.800 peak  2097 spectrum    1 weight  0.10000E+01 volume  0.58254E-02 ppm1      4.658 ppm2      1.021 CV     1
 OR { 2097}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 64   and name HG2%)
 ASSI { 2107}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      2.800     1.000     1.000 peak  2107 spectrum    1 weight  0.10000E+01 volume  0.36671E-02 ppm1      4.566 ppm2      7.812 CV     1
 OR { 2107}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
 ASSI { 2108}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      2.700     0.900     0.900 peak  2108 spectrum    1 weight  0.10000E+01 volume  0.45036E-02 ppm1      4.203 ppm2      8.222 CV     1
 OR { 2108}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
 ASSI { 2113}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 76   and name HN  ))
      3.100     1.200     1.200 peak  2113 spectrum    1 weight  0.10000E+01 volume  0.17045E-02 ppm1      4.238 ppm2      8.700 CV     1
 OR { 2113}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 75   and name HN  ))
 ASSI { 2116}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 39   and name HN  ))
      3.300     1.300     1.300 peak  2116 spectrum    1 weight  0.10000E+01 volume  0.15804E-02 ppm1      4.365 ppm2      7.719 CV     1
 OR { 2116}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 38   and name HN  ))
 ASSI { 2123}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      3.200     1.300     1.300 peak  2123 spectrum    1 weight  0.10000E+01 volume  0.21702E-02 ppm1      4.208 ppm2      7.815 CV     1
 OR { 2123}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
 ASSI { 2124}
   (( segid "    " and resid 27   and name HA  ))
   (  segid "    " and resid 30   and name HD% )
      3.100     1.200     1.200 peak  2124 spectrum    1 weight  0.10000E+01 volume  0.17341E-02 ppm1      4.302 ppm2      7.314 CV     1
 OR { 2124}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 11   and name HE  ))
 ASSI { 2132}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 73   and name HG1 ))
      2.800     1.000     1.000 peak  2132 spectrum    1 weight  0.10000E+01 volume  0.39424E-02 ppm1      4.237 ppm2      2.637 CV     1
 OR { 2132}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HG1 ))
 ASSI { 2135}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HB1 ))
      2.300     0.700     0.700 peak  2135 spectrum    1 weight  0.10000E+01 volume  0.95043E-02 ppm1      4.029 ppm2      2.025 CV     1
 OR { 2135}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HB2 ))
 OR { 2135}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI { 2141}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 50   and name HB% )
      2.400     0.700     0.700 peak  2141 spectrum    1 weight  0.10000E+01 volume  0.71508E-02 ppm1      4.235 ppm2      1.655 CV     1
 OR { 2141}
   (( segid "    " and resid 51   and name HA  ))
   (  segid "    " and resid 50   and name HB% )
 ASSI { 2150}
   (( segid "    " and resid 58   and name HA  ))
   (  segid "    " and resid 58   and name HG2%)
      2.500     0.800     0.800 peak  2150 spectrum    1 weight  0.10000E+01 volume  0.77248E-02 ppm1      4.682 ppm2      0.963 CV     1
 OR { 2150}
   (( segid "    " and resid 58   and name HA  ))
   (  segid "    " and resid 82   and name HD2%)
 OR { 2150}
   (( segid "    " and resid 56   and name HA  ))
   (  segid "    " and resid 82   and name HD2%)
 ASSI { 2157}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 75   and name HN  ))
      3.000     1.100     1.100 peak  2157 spectrum    1 weight  0.10000E+01 volume  0.21738E-02 ppm1      3.609 ppm2      8.715 CV     1
 OR { 2157}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 76   and name HN  ))
 ASSI { 2170}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 30   and name HZ  ))
      3.100     1.200     1.200 peak  2170 spectrum    1 weight  0.10000E+01 volume  0.16589E-02 ppm1      3.518 ppm2      7.330 CV     1
 OR { 2170}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HE  ))
 ASSI { 2174}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HG1 ))
      2.700     0.900     0.900 peak  2174 spectrum    1 weight  0.10000E+01 volume  0.40697E-02 ppm1      4.090 ppm2      2.765 CV     1
 OR { 2174}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 56   and name HB2 ))
 ASSI { 2175}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HG1 ))
      2.800     1.000     1.000 peak  2175 spectrum    1 weight  0.10000E+01 volume  0.21990E-02 ppm1      3.517 ppm2      1.405 CV     1
 OR { 2175}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 7    and name HG2%)
 ASSI { 2176}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HG2 ))
      2.900     1.000     1.000 peak  2176 spectrum    1 weight  0.10000E+01 volume  0.39558E-02 ppm1      3.515 ppm2      1.144 CV     1
 OR { 2176}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 15   and name HG2%)
 ASSI { 2178}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 10   and name HG  ))
      3.500     1.500     1.500 peak  2178 spectrum    1 weight  0.10000E+01 volume  0.10252E-02 ppm1      3.519 ppm2      1.901 CV     1
 OR { 2178}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 14   and name HG  ))
 OR { 2178}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 12   and name HG1 ))
 ASSI { 2181}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HG2 ))
      2.600     0.800     0.800 peak  2181 spectrum    1 weight  0.10000E+01 volume  0.52655E-02 ppm1      3.609 ppm2      1.526 CV     1
 OR { 2181}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 75   and name HB2 ))
 ASSI { 2182}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 10   and name HD2%)
      4.200     2.200     1.800 peak  2182 spectrum    1 weight  0.10000E+01 volume  0.67969E-03 ppm1      3.607 ppm2      1.135 CV     1
 OR { 2182}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 68   and name HG1%)
 ASSI { 2185}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 45   and name HB2 ))
      2.900     1.100     1.100 peak  2185 spectrum    1 weight  0.10000E+01 volume  0.27350E-02 ppm1      4.269 ppm2      1.501 CV     1
 OR { 2185}
   (( segid "    " and resid 42   and name HA  ))
   (  segid "    " and resid 44   and name HB% )
 ASSI { 2194}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 26   and name HD2%)
      3.700     1.700     1.700 peak  2194 spectrum    1 weight  0.10000E+01 volume  0.10339E-02 ppm1      3.518 ppm2      0.795 CV     1
 OR { 2194}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 14   and name HD1%)
 OR { 2194}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 31   and name HD2%)
 ASSI { 2196}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 31   and name HD2%)
      3.500     1.500     1.500 peak  2196 spectrum    1 weight  0.10000E+01 volume  0.17273E-02 ppm1      3.608 ppm2      0.780 CV     1
 OR { 2196}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 75   and name HD1%)
 ASSI { 2208}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HN  ))
      2.700     0.900     0.900 peak  2208 spectrum    1 weight  0.10000E+01 volume  0.33839E-02 ppm1      4.664 ppm2      7.717 CV     1
 OR { 2208}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 39   and name HN  ))
 ASSI { 2209}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 70   and name HN  ))
      3.800     1.800     1.800 peak  2209 spectrum    1 weight  0.10000E+01 volume  0.14817E-02 ppm1      4.447 ppm2      7.475 CV     1
 OR { 2209}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 67   and name HN  ))
 ASSI { 2233}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 38   and name HN  ))
      3.800     1.800     1.800 peak  2233 spectrum    1 weight  0.10000E+01 volume  0.11983E-02 ppm1      4.375 ppm2      7.717 CV     1
 OR { 2233}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 39   and name HN  ))
 ASSI { 2237}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HB  ))
      2.200     0.600     0.600 peak  2237 spectrum    1 weight  0.10000E+01 volume  0.10035E-01 ppm1      4.393 ppm2      4.188 CV     1
 ASSI { 2250}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 38   and name HG12))
      2.300     0.600     0.600 peak  2250 spectrum    1 weight  0.10000E+01 volume  0.35482E-02 ppm1      4.375 ppm2      1.543 CV     1
 ASSI { 2252}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 4    and name HB1 ))
      3.900     1.900     1.900 peak  2252 spectrum    1 weight  0.10000E+01 volume  0.15118E-02 ppm1      4.398 ppm2      1.610 CV     1
 ASSI { 2253}
   (( segid "    " and resid 35   and name HA  ))
   (  segid "    " and resid 38   and name HD1%)
      2.800     0.900     0.900 peak  2253 spectrum    1 weight  0.10000E+01 volume  0.30385E-02 ppm1      4.375 ppm2      0.875 CV     1
 OR { 2253}
   (( segid "    " and resid 3    and name HA  ))
   (  segid "    " and resid 4    and name HD1%)
 ASSI { 2257}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 62   and name HB2 ))
      4.300     2.400     1.700 peak  2257 spectrum    1 weight  0.10000E+01 volume  0.11996E-02 ppm1      4.529 ppm2      2.747 CV     1
 OR { 2257}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 63   and name HB2 ))
 ASSI { 2268}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HN  ))
      2.600     0.900     0.900 peak  2268 spectrum    1 weight  0.10000E+01 volume  0.34271E-02 ppm1      3.740 ppm2      8.275 CV     1
 OR { 2268}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 82   and name HN  ))
 ASSI { 2272}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 17   and name HN  ))
      2.600     0.900     0.900 peak  2272 spectrum    1 weight  0.10000E+01 volume  0.32466E-02 ppm1      4.141 ppm2      7.816 CV     1
 OR { 2272}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 18   and name HN  ))
 ASSI { 2273}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HN  ))
      3.000     1.100     1.100 peak  2273 spectrum    1 weight  0.10000E+01 volume  0.38039E-02 ppm1      4.055 ppm2      7.814 CV     1
 OR { 2273}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 18   and name HN  ))
 ASSI { 2280}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 14   and name HA  ))
      3.700     1.700     1.700 peak  2280 spectrum    1 weight  0.10000E+01 volume  0.11081E-02 ppm1      4.052 ppm2      4.407 CV     1
 OR { 2280}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 48   and name HB  ))
 OR { 2280}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 13   and name HA  ))
 ASSI { 2281}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 14   and name HA  ))
      3.400     1.500     1.500 peak  2281 spectrum    1 weight  0.10000E+01 volume  0.84735E-03 ppm1      4.136 ppm2      4.407 CV     1
 OR { 2281}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 48   and name HB  ))
 OR { 2281}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 13   and name HA  ))
 ASSI { 2284}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 47   and name HB2 ))
      4.600     2.600     1.400 peak  2284 spectrum    1 weight  0.10000E+01 volume  0.56463E-03 ppm1      4.143 ppm2      2.205 CV     1
 OR { 2284}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 51   and name HB1 ))
 ASSI { 2285}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 47   and name HB2 ))
      4.300     2.300     1.700 peak  2285 spectrum    1 weight  0.10000E+01 volume  0.65322E-03 ppm1      4.055 ppm2      2.201 CV     1
 OR { 2285}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 51   and name HB1 ))
 ASSI { 2286}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 18   and name HB% )
      3.900     1.900     1.900 peak  2286 spectrum    1 weight  0.10000E+01 volume  0.11682E-02 ppm1      4.054 ppm2      1.527 CV     1
 OR { 2286}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 44   and name HB% )
 ASSI { 2287}
   (( segid "    " and resid 17   and name HB1 ))
   (  segid "    " and resid 18   and name HB% )
      4.100     2.100     1.900 peak  2287 spectrum    1 weight  0.10000E+01 volume  0.66373E-03 ppm1      4.140 ppm2      1.519 CV     1
 OR { 2287}
   (( segid "    " and resid 17   and name HB1 ))
   (  segid "    " and resid 44   and name HB% )
 ASSI { 2293}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 81   and name HB% )
      2.700     0.900     0.900 peak  2293 spectrum    1 weight  0.10000E+01 volume  0.32558E-02 ppm1      3.741 ppm2      1.625 CV     1
 OR { 2293}
   (( segid "    " and resid 59   and name HB2 ))
   (  segid "    " and resid 81   and name HB% )
 OR { 2293}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 4    and name HB1 ))
 ASSI { 2294}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 58   and name HG2%)
      3.400     1.500     1.500 peak  2294 spectrum    1 weight  0.10000E+01 volume  0.21133E-02 ppm1      3.743 ppm2      0.964 CV     1
 OR { 2294}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 77   and name HD1%)
 OR { 2294}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 82   and name HD1%)
 OR { 2294}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 82   and name HD2%)
 OR { 2294}
   (( segid "    " and resid 59   and name HB2 ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI { 2295}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 78   and name HG2%)
      2.300     0.700     0.700 peak  2295 spectrum    1 weight  0.10000E+01 volume  0.85258E-02 ppm1      3.741 ppm2      0.861 CV     1
 OR { 2295}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 60   and name HD1%)
 ASSI { 2304}
   (( segid "    " and resid 42   and name HB2 ))
   (  segid "    " and resid 42   and name H31%)
      3.700     1.700     1.700 peak  2304 spectrum    1 weight  0.10000E+01 volume  0.74427E-03 ppm1      4.331 ppm2      1.066 CV     1
 OR { 2304}
   (( segid "    " and resid 42   and name HB2 ))
   (  segid "    " and resid 43   and name HD2%)
 ASSI { 2307}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 10   and name HD2%)
      3.500     1.500     1.500 peak  2307 spectrum    1 weight  0.10000E+01 volume  0.15138E-02 ppm1      4.232 ppm2      1.117 CV     1
 OR { 2307}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 68   and name HG1%)
 OR { 2307}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 48   and name HG2%)
 ASSI { 2309}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 14   and name HD2%)
      3.800     1.800     1.800 peak  2309 spectrum    1 weight  0.10000E+01 volume  0.11489E-02 ppm1      4.228 ppm2      0.892 CV     1
 OR { 2309}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 38   and name HD1%)
 OR { 2309}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 75   and name HD2%)
 ASSI { 2310}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 14   and name HD1%)
      4.400     2.500     1.600 peak  2310 spectrum    1 weight  0.10000E+01 volume  0.52103E-03 ppm1      4.228 ppm2      0.776 CV     1
 OR { 2310}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 31   and name HD2%)
 OR { 2310}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 75   and name HD1%)
 ASSI { 2312}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 74   and name HB1 ))
      2.600     0.800     0.800 peak  2312 spectrum    1 weight  0.10000E+01 volume  0.27591E-02 ppm1      4.228 ppm2      2.422 CV     1
 OR { 2312}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 68   and name HB  ))
 ASSI { 2316}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 67   and name HB1 ))
      3.900     1.900     1.900 peak  2316 spectrum    1 weight  0.10000E+01 volume  0.12077E-02 ppm1      3.820 ppm2      2.076 CV     1
 OR { 2316}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 61   and name HB2 ))
 ASSI { 2324}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 42   and name H28B))
      4.400     2.400     1.600 peak  2324 spectrum    1 weight  0.10000E+01 volume  0.36110E-03 ppm1      4.339 ppm2      3.915 CV     1
 OR { 2324}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 66   and name HA2 ))
 ASSI { 2325}
   (( segid "    " and resid 42   and name HB1 ))
   (( segid "    " and resid 66   and name HA2 ))
      3.700     1.700     1.700 peak  2325 spectrum    1 weight  0.10000E+01 volume  0.38495E-03 ppm1      4.201 ppm2      3.910 CV     1
 OR { 2325}
   (( segid "    " and resid 42   and name HB1 ))
   (( segid "    " and resid 42   and name H28B))
 ASSI { 2327}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 30   and name HE% )
      4.500     2.600     1.500 peak  2327 spectrum    1 weight  0.10000E+01 volume  0.46148E-03 ppm1      4.228 ppm2      7.209 CV     1
 OR { 2327}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
 ASSI { 2334}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HN  ))
      2.600     0.900     0.900 peak  2334 spectrum    1 weight  0.10000E+01 volume  0.41576E-02 ppm1      3.821 ppm2      7.396 CV     1
 OR { 2334}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 67   and name HE  ))
 ASSI { 2335}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      3.100     1.200     1.200 peak  2335 spectrum    1 weight  0.10000E+01 volume  0.15935E-02 ppm1      3.927 ppm2      7.818 CV     1
 OR { 2335}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
 ASSI { 2338}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      3.200     1.300     1.300 peak  2338 spectrum    1 weight  0.10000E+01 volume  0.17075E-02 ppm1      3.929 ppm2      8.223 CV     1
 OR { 2338}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
 ASSI { 2344}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HN  ))
      2.800     1.000     1.000 peak  2344 spectrum    1 weight  0.10000E+01 volume  0.25462E-02 ppm1      3.866 ppm2      8.840 CV     1
 OR { 2344}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
 ASSI { 2353}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 10   and name HB2 ))
      3.500     1.500     1.500 peak  2353 spectrum    1 weight  0.10000E+01 volume  0.16229E-02 ppm1      3.868 ppm2      1.566 CV     1
 OR { 2353}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 75   and name HB2 ))
 ASSI { 2358}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 75   and name HD1%)
      3.100     1.200     1.200 peak  2358 spectrum    1 weight  0.10000E+01 volume  0.23197E-02 ppm1      3.868 ppm2      0.791 CV     1
 OR { 2358}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 31   and name HD2%)
 ASSI { 2364}
   (( segid "    " and resid 7    and name HB  ))
   (  segid "    " and resid 31   and name HD2%)
      4.900     3.000     1.100 peak  2364 spectrum    1 weight  0.10000E+01 volume  0.31788E-03 ppm1      4.321 ppm2      0.776 CV     1
 OR { 2364}
   (( segid "    " and resid 7    and name HB  ))
   (  segid "    " and resid 75   and name HD1%)
 ASSI { 2365}
   (( segid "    " and resid 48   and name HB  ))
   (  segid "    " and resid 49   and name HB% )
      4.300     2.300     1.700 peak  2365 spectrum    1 weight  0.10000E+01 volume  0.80134E-03 ppm1      4.421 ppm2      1.522 CV     1
 OR { 2365}
   (( segid "    " and resid 48   and name HB  ))
   (( segid "    " and resid 45   and name HB2 ))
 ASSI { 2366}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 51   and name HB1 ))
      3.400     1.500     1.500 peak  2366 spectrum    1 weight  0.10000E+01 volume  0.15855E-02 ppm1      3.959 ppm2      2.197 CV     1
 OR { 2366}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 52   and name HB1 ))
 ASSI { 2367}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 52   and name HG  ))
      3.500     1.500     1.500 peak  2367 spectrum    1 weight  0.10000E+01 volume  0.13407E-02 ppm1      3.956 ppm2      2.025 CV     1
 OR { 2367}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 51   and name HB2 ))
 ASSI { 2368}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 50   and name HB% )
      3.900     1.900     1.900 peak  2368 spectrum    1 weight  0.10000E+01 volume  0.90023E-03 ppm1      3.960 ppm2      1.669 CV     1
 OR { 2368}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 13   and name HB% )
 OR { 2368}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 45   and name HB1 ))
 ASSI { 2376}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      4.500     2.500     1.500 peak  2376 spectrum    1 weight  0.10000E+01 volume  0.28870E-03 ppm1      3.956 ppm2      8.421 CV     1
 OR { 2376}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
 ASSI { 2391}
   (( segid "    " and resid 3    and name HB  ))
   (  segid "    " and resid 4    and name HD2%)
      4.200     2.200     1.800 peak  2391 spectrum    1 weight  0.10000E+01 volume  0.10559E-02 ppm1      4.187 ppm2      0.982 CV     1
 OR { 2391}
   (( segid "    " and resid 3    and name HB  ))
   (  segid "    " and resid 82   and name HD1%)
 OR { 2391}
   (( segid "    " and resid 3    and name HB  ))
   (  segid "    " and resid 82   and name HD2%)
 ASSI { 2399}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 44   and name HB% )
      2.700     0.900     0.900 peak  2399 spectrum    1 weight  0.10000E+01 volume  0.36503E-02 ppm1      6.740 ppm2      1.528 CV     1
 OR { 2399}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 18   and name HB% )
 ASSI { 2401}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 24   and name HG2%)
      2.900     2.900     3.100 peak  2401 spectrum    1 weight  0.10000E+01 volume  0.97004E-03 ppm1      6.742 ppm2      1.252 CV     1
 OR { 2401}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 26   and name HB2 ))
 ASSI { 2404}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 55   and name HB2 ))
      3.300     1.300     1.300 peak  2404 spectrum    1 weight  0.10000E+01 volume  0.13520E-02 ppm1      6.812 ppm2      1.625 CV     1
 OR { 2404}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 4    and name HB1 ))
 ASSI { 2405}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 5    and name HB2 ))
      3.400     1.400     1.400 peak  2405 spectrum    1 weight  0.10000E+01 volume  0.11277E-02 ppm1      6.811 ppm2      1.371 CV     1
 OR { 2405}
   (  segid "    " and resid 56   and name HE% )
   (  segid "    " and resid 55   and name HG1 )
 ASSI { 2407}
   (  segid "    " and resid 56   and name HE% )
   (  segid "    " and resid 78   and name HG2%)
      3.700     1.800     1.800 peak  2407 spectrum    1 weight  0.10000E+01 volume  0.11296E-02 ppm1      6.811 ppm2      0.863 CV     1
 OR { 2407}
   (  segid "    " and resid 56   and name HE% )
   (  segid "    " and resid 52   and name HD1%)
 ASSI { 2411}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 52   and name HG  ))
      4.800     2.900     1.200 peak  2411 spectrum    1 weight  0.10000E+01 volume  0.52184E-03 ppm1      6.809 ppm2      2.037 CV     1
 OR { 2411}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 82   and name HB1 ))
 ASSI { 2412}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 38   and name HB  ))
      3.500     1.500     1.500 peak  2412 spectrum    1 weight  0.10000E+01 volume  0.49511E-03 ppm1      6.745 ppm2      2.452 CV     1
 OR { 2412}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 47   and name HG2 ))
 OR { 2412}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 74   and name HB1 ))
 ASSI { 2413}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 55   and name HD2 ))
      3.300     1.400     1.400 peak  2413 spectrum    1 weight  0.10000E+01 volume  0.13371E-02 ppm1      6.812 ppm2      3.023 CV     1
 OR { 2413}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 9    and name HB1 ))
 ASSI { 2421}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 40   and name HA  ))
      4.300     2.300     1.700 peak  2421 spectrum    1 weight  0.10000E+01 volume  0.55080E-03 ppm1      6.741 ppm2      4.573 CV     1
 OR { 2421}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 17   and name HA  ))
 ASSI { 2423}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 18   and name HA  ))
      3.800     1.800     1.800 peak  2423 spectrum    1 weight  0.10000E+01 volume  0.13482E-02 ppm1      6.743 ppm2      4.381 CV     1
 OR { 2423}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 14   and name HA  ))
 ASSI { 2424}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 52   and name HA  ))
      3.700     1.700     1.700 peak  2424 spectrum    1 weight  0.10000E+01 volume  0.96056E-03 ppm1      6.813 ppm2      4.308 CV     1
 ASSI { 2425}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 45   and name HN  ))
      3.800     1.800     1.800 peak  2425 spectrum    1 weight  0.10000E+01 volume  0.73196E-03 ppm1      6.744 ppm2      8.452 CV     1
 OR { 2425}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 35   and name HN  ))
 ASSI { 2427}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 45   and name HB1 ))
      5.000     3.100     1.000 peak  2427 spectrum    1 weight  0.10000E+01 volume  0.31752E-03 ppm1      6.746 ppm2      1.650 CV     1
 OR { 2427}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 13   and name HB% )
 ASSI { 2428}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 14   and name HB1 ))
      3.400     3.400     2.600 peak  2428 spectrum    1 weight  0.10000E+01 volume  0.42127E-03 ppm1      6.742 ppm2      1.986 CV     1
 OR { 2428}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 51   and name HG1 ))
 ASSI { 2429}
   (( segid "    " and resid 30   and name HZ  ))
   (  segid "    " and resid 7    and name HG2%)
      3.600     1.600     1.600 peak  2429 spectrum    1 weight  0.10000E+01 volume  0.74863E-03 ppm1      7.349 ppm2      1.389 CV     1
 OR { 2429}
   (( segid "    " and resid 30   and name HZ  ))
   (( segid "    " and resid 11   and name HG1 ))
 ASSI { 2430}
   (( segid "    " and resid 30   and name HZ  ))
   (( segid "    " and resid 11   and name HG2 ))
      4.100     2.100     1.900 peak  2430 spectrum    1 weight  0.10000E+01 volume  0.63427E-03 ppm1      7.352 ppm2      1.126 CV     1
 OR { 2430}
   (( segid "    " and resid 30   and name HZ  ))
   (  segid "    " and resid 10   and name HD2%)
 ASSI { 2440}
   (  segid "    " and resid 35   and name HE% )
   (  segid "    " and resid 14   and name HD2%)
      3.400     1.400     1.400 peak  2440 spectrum    1 weight  0.10000E+01 volume  0.10989E-02 ppm1      6.925 ppm2      0.885 CV     1
 OR { 2440}
   (  segid "    " and resid 35   and name HE% )
   (  segid "    " and resid 38   and name HD1%)
 ASSI { 2443}
   (  segid "    " and resid 30   and name HE% )
   (  segid "    " and resid 14   and name HD2%)
      2.900     1.000     1.000 peak  2443 spectrum    1 weight  0.10000E+01 volume  0.19403E-02 ppm1      7.214 ppm2      0.893 CV     1
 OR { 2443}
   (  segid "    " and resid 30   and name HE% )
   (  segid "    " and resid 38   and name HD1%)
 ASSI { 2444}
   (  segid "    " and resid 30   and name HE% )
   (  segid "    " and resid 31   and name HD2%)
      4.000     2.100     2.000 peak  2444 spectrum    1 weight  0.10000E+01 volume  0.49750E-03 ppm1      7.208 ppm2      0.791 CV     1
 OR { 2444}
   (  segid "    " and resid 30   and name HE% )
   (  segid "    " and resid 26   and name HD2%)
 OR { 2444}
   (  segid "    " and resid 30   and name HE% )
   (  segid "    " and resid 14   and name HD1%)
 ASSI { 2447}
   (  segid "    " and resid 35   and name HE% )
   (  segid "    " and resid 68   and name HG1%)
      4.300     2.300     1.700 peak  2447 spectrum    1 weight  0.10000E+01 volume  0.64468E-03 ppm1      6.923 ppm2      1.114 CV     1
 OR { 2447}
   (  segid "    " and resid 35   and name HE% )
   (  segid "    " and resid 48   and name HG2%)
 OR { 2447}
   (  segid "    " and resid 35   and name HE% )
   (  segid "    " and resid 10   and name HD2%)
 ASSI { 2448}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 74   and name HG  ))
      3.900     1.900     1.900 peak  2448 spectrum    1 weight  0.10000E+01 volume  0.10223E-02 ppm1      6.923 ppm2      0.982 CV     1
 OR { 2448}
   (  segid "    " and resid 35   and name HE% )
   (  segid "    " and resid 77   and name HD2%)
 ASSI { 2452}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 11   and name HG2 ))
      3.100     1.200     1.200 peak  2452 spectrum    1 weight  0.10000E+01 volume  0.22490E-02 ppm1      7.214 ppm2      1.126 CV     1
 OR { 2452}
   (  segid "    " and resid 30   and name HE% )
   (  segid "    " and resid 10   and name HD2%)
 ASSI { 2453}
   (  segid "    " and resid 30   and name HE% )
   (  segid "    " and resid 7    and name HG2%)
      2.800     1.000     1.000 peak  2453 spectrum    1 weight  0.10000E+01 volume  0.25134E-02 ppm1      7.214 ppm2      1.384 CV     1
 OR { 2453}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 11   and name HG1 ))
 ASSI { 2457}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 11   and name HB2 ))
      2.900     1.100     1.100 peak  2457 spectrum    1 weight  0.10000E+01 volume  0.20557E-02 ppm1      7.214 ppm2      2.027 CV     1
 OR { 2457}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 71   and name HB2 ))
 OR { 2457}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 11   and name HB1 ))
 ASSI { 2460}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 68   and name HB  ))
      4.800     2.900     1.200 peak  2460 spectrum    1 weight  0.10000E+01 volume  0.32299E-03 ppm1      7.112 ppm2      2.427 CV     1
 OR { 2460}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 74   and name HB1 ))
 ASSI { 2461}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 68   and name HB  ))
      3.700     1.700     1.700 peak  2461 spectrum    1 weight  0.10000E+01 volume  0.56011E-03 ppm1      6.923 ppm2      2.428 CV     1
 OR { 2461}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 74   and name HB1 ))
 ASSI { 2463}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 40   and name HB2 ))
      3.500     1.500     1.500 peak  2463 spectrum    1 weight  0.10000E+01 volume  0.10661E-02 ppm1      7.113 ppm2      2.800 CV     1
 OR { 2463}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 71   and name HD2 ))
 ASSI { 2464}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 71   and name HD2 ))
      4.800     2.900     1.200 peak  2464 spectrum    1 weight  0.10000E+01 volume  0.43723E-03 ppm1      6.923 ppm2      2.800 CV     1
 OR { 2464}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 40   and name HB2 ))
 ASSI { 2465}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 30   and name HB1 ))
      4.400     2.400     1.600 peak  2465 spectrum    1 weight  0.10000E+01 volume  0.66450E-03 ppm1      7.214 ppm2      3.284 CV     1
 OR { 2465}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 31   and name HA  ))
 ASSI { 2472}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 35   and name HN  ))
      4.900     3.000     1.100 peak  2472 spectrum    1 weight  0.10000E+01 volume  0.27991E-03 ppm1      6.926 ppm2      8.451 CV     1
 OR { 2472}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 45   and name HN  ))
 ASSI { 2480}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 38   and name HG12))
      4.800     2.800     1.200 peak  2480 spectrum    1 weight  0.10000E+01 volume  0.37746E-03 ppm1      7.113 ppm2      1.528 CV     1
 OR { 2480}
   (  segid "    " and resid 35   and name HD% )
   (  segid "    " and resid 44   and name HB% )
 OR { 2480}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 45   and name HB2 ))
 ASSI { 2482}
   (  segid "    " and resid 35   and name HD% )
   (  segid "    " and resid 70   and name HG2%)
      5.400     3.700     0.600 peak  2482 spectrum    1 weight  0.10000E+01 volume  0.31141E-03 ppm1      7.119 ppm2      1.088 CV     1
 OR { 2482}
   (  segid "    " and resid 35   and name HD% )
   (  segid "    " and resid 38   and name HG2%)
 OR { 2482}
   (  segid "    " and resid 35   and name HD% )
   (  segid "    " and resid 74   and name HD1%)
 ASSI { 2487}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 14   and name HD2%)
      3.100     1.200     1.200 peak  2487 spectrum    1 weight  0.10000E+01 volume  0.16594E-02 ppm1      7.306 ppm2      0.884 CV     1
 OR { 2487}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 38   and name HD1%)
 ASSI { 2488}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 31   and name HD2%)
      3.700     1.700     1.700 peak  2488 spectrum    1 weight  0.10000E+01 volume  0.94003E-03 ppm1      7.306 ppm2      0.790 CV     1
 OR { 2488}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 26   and name HD2%)
 ASSI { 2492}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 38   and name HG2%)
      3.700     1.700     1.700 peak  2492 spectrum    1 weight  0.10000E+01 volume  0.11202E-02 ppm1      7.307 ppm2      1.066 CV     1
 OR { 2492}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 33   and name HD2%)
 OR { 2492}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 10   and name HD1%)
 OR { 2492}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 70   and name HG2%)
 ASSI { 2493}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 38   and name HG2%)
      3.700     1.700     1.700 peak  2493 spectrum    1 weight  0.10000E+01 volume  0.53176E-03 ppm1      6.970 ppm2      1.068 CV     1
 OR { 2493}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 74   and name HD1%)
 OR { 2493}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 74   and name HD2%)
 OR { 2493}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 10   and name HD1%)
 OR { 2493}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 42   and name H31%)
 OR { 2493}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 43   and name HD2%)
 ASSI { 2494}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 44   and name HB% )
      2.600     0.800     0.800 peak  2494 spectrum    1 weight  0.10000E+01 volume  0.51340E-02 ppm1      6.969 ppm2      1.517 CV     1
 OR { 2494}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 38   and name HG12))
 ASSI { 2504}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 35   and name HA  ))
      3.600     1.600     1.600 peak  2504 spectrum    1 weight  0.10000E+01 volume  0.68083E-03 ppm1      6.970 ppm2      4.372 CV     1
 OR { 2504}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 36   and name HA  ))
 OR { 2504}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 18   and name HA  ))
 ASSI { 2510}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 45   and name HN  ))
      4.000     2.000     2.000 peak  2510 spectrum    1 weight  0.10000E+01 volume  0.58440E-03 ppm1      6.971 ppm2      8.442 CV     1
 OR { 2510}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 35   and name HN  ))
 ASSI { 2517}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 53   and name HA  ))
      4.700     2.700     1.300 peak  2517 spectrum    1 weight  0.10000E+01 volume  0.38391E-03 ppm1      7.448 ppm2      4.095 CV     1
 OR { 2517}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 55   and name HA  ))
 OR { 2517}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 57   and name HA2 ))
 OR { 2517}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 57   and name HA1 ))
 ASSI { 2522}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 55   and name HB2 ))
      3.900     1.900     1.900 peak  2522 spectrum    1 weight  0.10000E+01 volume  0.13295E-02 ppm1      7.442 ppm2      1.615 CV     1
 OR { 2522}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 5    and name HB1 ))
 ASSI { 2524}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 55   and name HG1 ))
      3.000     1.100     1.100 peak  2524 spectrum    1 weight  0.10000E+01 volume  0.76622E-03 ppm1      7.442 ppm2      1.383 CV     1
 ASSI { 2525}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 82   and name HD1%)
      2.800     1.000     1.000 peak  2525 spectrum    1 weight  0.10000E+01 volume  0.37463E-02 ppm1      7.441 ppm2      1.010 CV     1
 OR { 2525}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 52   and name HD2%)
 OR { 2525}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 82   and name HD2%)
 ASSI { 2526}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 78   and name HG2%)
      3.600     1.600     1.600 peak  2526 spectrum    1 weight  0.10000E+01 volume  0.12937E-02 ppm1      7.440 ppm2      0.870 CV     1
 OR { 2526}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 52   and name HD1%)
 ASSI {    3}
   (( segid "    " and resid 72   and name HH21))
   (( segid "    " and resid 31   and name HB1 ))
      4.100     2.100     1.900 peak     3 spectrum    1 weight  0.10000E+01 volume  0.86957E-03 ppm1      6.889 ppm2      1.646 CV     1
 OR {    3}
   (( segid "    " and resid 72   and name HH12))
   (( segid "    " and resid 72   and name HG1 ))
 OR {    3}
   (( segid "    " and resid 72   and name HH21))
   (( segid "    " and resid 72   and name HG1 ))
 OR {    3}
   (( segid "    " and resid 72   and name HH11))
   (( segid "    " and resid 31   and name HB1 ))
 OR {    3}
   (( segid "    " and resid 72   and name HH11))
   (( segid "    " and resid 72   and name HG1 ))
 ASSI {   55}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 46   and name HG1 ))
      3.900     1.900     1.900 peak    55 spectrum    1 weight  0.10000E+01 volume  0.37392E-03 ppm1      8.029 ppm2      2.833 CV     1
 OR {   55}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 63   and name HB1 ))
 ASSI {   64}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      2.700     0.900     0.900 peak    64 spectrum    1 weight  0.10000E+01 volume  0.37563E-02 ppm1      8.241 ppm2      7.822 CV     1
 OR {   64}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
 ASSI {   74}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      3.500     1.500     1.500 peak    74 spectrum    1 weight  0.10000E+01 volume  0.14752E-02 ppm1      7.717 ppm2      4.362 CV     1
 OR {   74}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
 ASSI {   80}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
      4.200     2.200     1.800 peak    80 spectrum    1 weight  0.10000E+01 volume  0.24051E-03 ppm1      7.717 ppm2      3.092 CV     1
 OR {   80}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
 ASSI {   88}
   (( segid "    " and resid 79   and name HD22))
   (  segid "    " and resid 4    and name HD2%)
      3.100     1.200     1.200 peak    88 spectrum    1 weight  0.10000E+01 volume  0.65148E-03 ppm1      7.663 ppm2      0.960 CV     1
 OR {   88}
   (( segid "    " and resid 79   and name HD22))
   (  segid "    " and resid 82   and name HD1%)
 ASSI {   89}
   (( segid "    " and resid 79   and name HD22))
   (  segid "    " and resid 78   and name HG2%)
      3.400     1.400     1.400 peak    89 spectrum    1 weight  0.10000E+01 volume  0.11326E-02 ppm1      7.662 ppm2      0.877 CV     1
 OR {   89}
   (( segid "    " and resid 79   and name HD22))
   (  segid "    " and resid 4    and name HD1%)
 ASSI {   91}
   (( segid "    " and resid 79   and name HD21))
   (  segid "    " and resid 82   and name HD1%)
      4.100     2.100     1.900 peak    91 spectrum    1 weight  0.10000E+01 volume  0.74492E-03 ppm1      7.326 ppm2      0.961 CV     1
 OR {   91}
   (( segid "    " and resid 79   and name HD21))
   (  segid "    " and resid 4    and name HD2%)
 ASSI {   92}
   (( segid "    " and resid 79   and name HD21))
   (  segid "    " and resid 78   and name HG2%)
      3.200     1.300     1.300 peak    92 spectrum    1 weight  0.10000E+01 volume  0.14519E-02 ppm1      7.326 ppm2      0.880 CV     1
 OR {   92}
   (( segid "    " and resid 79   and name HD21))
   (  segid "    " and resid 4    and name HD1%)
 ASSI {   93}
   (( segid "    " and resid 79   and name HD21))
   (  segid "    " and resid 75   and name HD1%)
      3.500     1.500     1.500 peak    93 spectrum    1 weight  0.10000E+01 volume  0.24369E-02 ppm1      7.326 ppm2      0.792 CV     1
 OR {   93}
   (( segid "    " and resid 79   and name HD21))
   (  segid "    " and resid 78   and name HD1%)
 ASSI {   94}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 4    and name HG  ))
      3.900     1.900     1.900 peak    94 spectrum    1 weight  0.10000E+01 volume  0.15189E-02 ppm1      7.326 ppm2      1.689 CV     1
 OR {   94}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 75   and name HG  ))
 ASSI {   95}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 4    and name HB1 ))
      2.700     0.900     0.900 peak    95 spectrum    1 weight  0.10000E+01 volume  0.14473E-02 ppm1      7.327 ppm2      1.584 CV     1
 OR {   95}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 82   and name HB2 ))
 OR {   95}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 5    and name HG  ))
 ASSI {  117}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      4.800     2.900     1.200 peak   117 spectrum    1 weight  0.10000E+01 volume  0.33015E-03 ppm1      7.471 ppm2      4.237 CV     1
 OR {  117}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
 ASSI {  125}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 21   and name HG2%)
      3.600     1.600     1.600 peak   125 spectrum    1 weight  0.10000E+01 volume  0.47213E-03 ppm1      8.489 ppm2      1.241 CV     1
 OR {  125}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
 ASSI {  133}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      3.500     1.500     1.500 peak   133 spectrum    1 weight  0.10000E+01 volume  0.11103E-02 ppm1      8.419 ppm2      4.480 CV     1
 OR {  133}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
 ASSI {  134}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      3.300     1.400     1.400 peak   134 spectrum    1 weight  0.10000E+01 volume  0.12296E-02 ppm1      8.421 ppm2      4.271 CV     1
 OR {  134}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 83   and name HA  ))
 ASSI {  139}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 81   and name HB% )
      4.100     2.100     1.900 peak   139 spectrum    1 weight  0.10000E+01 volume  0.11675E-02 ppm1      8.421 ppm2      1.619 CV     1
 OR {  139}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 83   and name HB% )
 OR {  139}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 4    and name HB1 ))
 ASSI {  140}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 82   and name HD1%)
      4.700     2.800     1.300 peak   140 spectrum    1 weight  0.10000E+01 volume  0.55341E-03 ppm1      8.421 ppm2      0.968 CV     1
 OR {  140}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 82   and name HD2%)
 OR {  140}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
 OR {  140}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 4    and name HD2%)
 ASSI {  146}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      3.700     1.800     1.800 peak   146 spectrum    1 weight  0.10000E+01 volume  0.80172E-03 ppm1      7.967 ppm2      4.676 CV     1
 OR {  146}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
 ASSI {  159}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      3.500     1.600     1.600 peak   159 spectrum    1 weight  0.10000E+01 volume  0.71900E-03 ppm1      8.050 ppm2      3.296 CV     1
 OR {  159}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
 ASSI {  162}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      3.400     1.400     1.400 peak   162 spectrum    1 weight  0.10000E+01 volume  0.76131E-03 ppm1      8.050 ppm2      1.044 CV     1
 OR {  162}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 33   and name HD2%)
 ASSI {  171}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 56   and name HB2 ))
      4.100     2.100     1.900 peak   171 spectrum    1 weight  0.10000E+01 volume  0.79012E-03 ppm1      7.517 ppm2      2.782 CV     1
 OR {  171}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 53   and name HG1 ))
 ASSI {  175}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HA1 ))
      2.400     0.700     0.700 peak   175 spectrum    1 weight  0.10000E+01 volume  0.57748E-02 ppm1      7.518 ppm2      4.092 CV     1
 OR {  175}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
 OR {  175}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HA2 ))
 ASSI {  182}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 44   and name HB% )
      4.800     2.800     1.200 peak   182 spectrum    1 weight  0.10000E+01 volume  0.38957E-03 ppm1      8.919 ppm2      1.505 CV     1
 OR {  182}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
 ASSI {  186}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      2.600     0.900     0.900 peak   186 spectrum    1 weight  0.10000E+01 volume  0.41944E-02 ppm1      8.921 ppm2      4.272 CV     1
 OR {  186}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
 ASSI {  196}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 19   and name HA1 ))
      4.500     2.500     1.500 peak   196 spectrum    1 weight  0.10000E+01 volume  0.39045E-03 ppm1      8.249 ppm2      4.057 CV     1
 OR {  196}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 19   and name HA2 ))
 OR {  196}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 23   and name HA2 ))
 ASSI {  199}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      2.700     0.900     0.900 peak   199 spectrum    1 weight  0.10000E+01 volume  0.51847E-02 ppm1      8.246 ppm2      8.484 CV     1
 OR {  199}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
 ASSI {  204}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      3.400     1.400     1.400 peak   204 spectrum    1 weight  0.10000E+01 volume  0.25786E-02 ppm1      8.131 ppm2      4.095 CV     1
 OR {  204}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
 OR {  204}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 57   and name HA1 ))
 OR {  204}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 57   and name HA2 ))
 ASSI {  211}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HG2 ))
      4.000     2.000     2.000 peak   211 spectrum    1 weight  0.10000E+01 volume  0.90937E-03 ppm1      8.133 ppm2      0.975 CV     1
 OR {  211}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 82   and name HD2%)
 OR {  211}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 82   and name HD1%)
 ASSI {  219}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      3.200     1.300     1.300 peak   219 spectrum    1 weight  0.10000E+01 volume  0.15660E-02 ppm1      8.032 ppm2      4.252 CV     1
 OR {  219}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
 ASSI {  220}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HB1 ))
      2.400     0.700     0.700 peak   220 spectrum    1 weight  0.10000E+01 volume  0.91618E-02 ppm1      8.032 ppm2      4.106 CV     1
 OR {  220}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
 OR {  220}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
 OR {  220}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
 ASSI {  228}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      3.500     1.500     1.500 peak   228 spectrum    1 weight  0.10000E+01 volume  0.17867E-02 ppm1      7.712 ppm2      4.365 CV     1
 OR {  228}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
 ASSI {  230}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
      3.200     1.200     1.200 peak   230 spectrum    1 weight  0.10000E+01 volume  0.13764E-02 ppm1      7.712 ppm2      3.091 CV     1
 OR {  230}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
 ASSI {  231}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      4.100     2.100     1.900 peak   231 spectrum    1 weight  0.10000E+01 volume  0.11823E-02 ppm1      7.710 ppm2      2.999 CV     1
 OR {  231}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
 ASSI {  237}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 48   and name HG2%)
      4.200     2.200     1.800 peak   237 spectrum    1 weight  0.10000E+01 volume  0.34946E-03 ppm1      7.810 ppm2      1.122 CV     1
 OR {  237}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 15   and name HG2%)
 ASSI {  238}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 15   and name HG1%)
      5.000     3.200     1.000 peak   238 spectrum    1 weight  0.10000E+01 volume  0.20119E-03 ppm1      7.808 ppm2      1.028 CV     1
 OR {  238}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 10   and name HD1%)
 ASSI {  247}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      3.900     1.900     1.900 peak   247 spectrum    1 weight  0.10000E+01 volume  0.59757E-03 ppm1      7.809 ppm2      3.941 CV     1
 OR {  247}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
 ASSI {  249}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      3.300     1.400     1.400 peak   249 spectrum    1 weight  0.10000E+01 volume  0.11005E-02 ppm1      7.810 ppm2      4.392 CV     1
 OR {  249}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
 ASSI {  250}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      2.800     1.000     1.000 peak   250 spectrum    1 weight  0.10000E+01 volume  0.29351E-02 ppm1      7.809 ppm2      8.221 CV     1
 OR {  250}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
 ASSI {  286}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HB  ))
      3.300     1.400     1.400 peak   286 spectrum    1 weight  0.10000E+01 volume  0.24674E-02 ppm1      7.309 ppm2      2.409 CV     1
 OR {  286}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 74   and name HB1 ))
 ASSI {  289}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 64   and name HG1%)
      4.200     2.200     1.800 peak   289 spectrum    1 weight  0.10000E+01 volume  0.61674E-03 ppm1      7.307 ppm2      0.968 CV     1
 OR {  289}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
 OR {  289}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
 OR {  289}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 74   and name HG  ))
 ASSI {  292}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 75   and name HD2%)
      4.000     2.000     2.000 peak   292 spectrum    1 weight  0.10000E+01 volume  0.45281E-03 ppm1      8.843 ppm2      0.880 CV     1
 OR {  292}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 4    and name HD1%)
 ASSI {  293}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 75   and name HD1%)
      3.900     1.900     1.900 peak   293 spectrum    1 weight  0.10000E+01 volume  0.73719E-03 ppm1      8.844 ppm2      0.787 CV     1
 OR {  293}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 31   and name HD2%)
 ASSI {  294}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 6    and name HG2%)
      3.600     1.600     1.600 peak   294 spectrum    1 weight  0.10000E+01 volume  0.42086E-02 ppm1      8.844 ppm2      1.398 CV     1
 OR {  294}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
 ASSI {  295}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      5.500     3.800     0.500 peak   295 spectrum    1 weight  0.10000E+01 volume  0.16603E-03 ppm1      8.838 ppm2      1.582 CV     1
 OR {  295}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 5    and name HB1 ))
 OR {  295}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 5    and name HG  ))
 ASSI {  296}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
      5.200     3.400     0.800 peak   296 spectrum    1 weight  0.10000E+01 volume  0.28062E-03 ppm1      8.841 ppm2      2.717 CV     1
 OR {  296}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 8    and name HB1 ))
 OR {  296}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
 ASSI {  311}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      3.800     1.800     1.800 peak   311 spectrum    1 weight  0.10000E+01 volume  0.59632E-03 ppm1      8.462 ppm2      2.993 CV     1
 OR {  311}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 69   and name HB1 ))
 ASSI {  318}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 70   and name HG2%)
      3.500     1.500     1.500 peak   318 spectrum    1 weight  0.10000E+01 volume  0.16484E-02 ppm1      8.462 ppm2      1.063 CV     1
 OR {  318}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
 ASSI {  326}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      4.600     2.600     1.400 peak   326 spectrum    1 weight  0.10000E+01 volume  0.39843E-03 ppm1      8.134 ppm2      4.718 CV     1
 OR {  326}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
 ASSI {  335}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 8    and name HB1 ))
      3.300     1.400     1.400 peak   335 spectrum    1 weight  0.10000E+01 volume  0.42392E-03 ppm1      7.977 ppm2      2.703 CV     1
 OR {  335}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
 OR {  335}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
 ASSI {  336}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
      2.100     0.500     0.500 peak   336 spectrum    1 weight  0.10000E+01 volume  0.11408E-01 ppm1      7.977 ppm2      2.028 CV     1
 OR {  336}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
 OR {  336}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HB1 ))
 OR {  336}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
 ASSI {  338}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HG2 ))
      3.600     1.600     1.600 peak   338 spectrum    1 weight  0.10000E+01 volume  0.15054E-02 ppm1      7.976 ppm2      1.683 CV     1
 OR {  338}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 13   and name HB% )
 ASSI {  339}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HG2 ))
      3.500     1.600     1.600 peak   339 spectrum    1 weight  0.10000E+01 volume  0.77215E-03 ppm1      7.975 ppm2      1.130 CV     1
 OR {  339}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 15   and name HG2%)
 ASSI {  340}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HG1 ))
      4.500     2.500     1.500 peak   340 spectrum    1 weight  0.10000E+01 volume  0.81305E-03 ppm1      7.978 ppm2      1.398 CV     1
 OR {  340}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
 ASSI {  343}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 34   and name HG2 ))
      3.500     1.500     1.500 peak   343 spectrum    1 weight  0.10000E+01 volume  0.39017E-03 ppm1      9.567 ppm2      1.628 CV     1
 OR {  343}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 45   and name HB1 ))
 ASSI {  347}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
      2.800     1.000     1.000 peak   347 spectrum    1 weight  0.10000E+01 volume  0.23411E-02 ppm1      9.566 ppm2      3.087 CV     1
 OR {  347}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
 ASSI {  350}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      2.600     0.800     0.800 peak   350 spectrum    1 weight  0.10000E+01 volume  0.48281E-02 ppm1      9.566 ppm2      4.365 CV     1
 OR {  350}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
 ASSI {  351}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      4.200     2.200     1.800 peak   351 spectrum    1 weight  0.10000E+01 volume  0.60514E-03 ppm1      9.567 ppm2      7.720 CV     1
 OR {  351}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
 ASSI {  357}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      2.700     0.900     0.900 peak   357 spectrum    1 weight  0.10000E+01 volume  0.46272E-02 ppm1      8.623 ppm2      4.523 CV     1
 OR {  357}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
 ASSI {  359}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HB1 ))
      3.300     1.400     1.400 peak   359 spectrum    1 weight  0.10000E+01 volume  0.31985E-02 ppm1      8.622 ppm2      2.830 CV     1
 OR {  359}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HB1 ))
 ASSI {  360}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
      2.600     0.800     0.800 peak   360 spectrum    1 weight  0.10000E+01 volume  0.44162E-02 ppm1      8.622 ppm2      2.742 CV     1
 OR {  360}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HB2 ))
 ASSI {  375}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 74   and name HB2 ))
      4.900     3.000     1.100 peak   375 spectrum    1 weight  0.10000E+01 volume  0.36370E-03 ppm1      7.837 ppm2      1.682 CV     1
 OR {  375}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HG1 ))
 ASSI {  387}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
      3.600     1.600     1.600 peak   387 spectrum    1 weight  0.10000E+01 volume  0.11470E-02 ppm1      7.741 ppm2      4.462 CV     1
 OR {  387}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
 ASSI {  400}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 64   and name HG1%)
      4.000     2.000     2.000 peak   400 spectrum    1 weight  0.10000E+01 volume  0.63918E-03 ppm1      7.486 ppm2      0.970 CV     1
 OR {  400}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
 OR {  400}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
 OR {  400}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 74   and name HG  ))
 ASSI {  408}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
      2.600     0.800     0.800 peak   408 spectrum    1 weight  0.10000E+01 volume  0.27949E-02 ppm1      9.000 ppm2      1.614 CV     1
 OR {  408}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
 ASSI {  410}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HB1 ))
      4.100     2.100     1.900 peak   410 spectrum    1 weight  0.10000E+01 volume  0.79818E-03 ppm1      8.996 ppm2      2.249 CV     1
 OR {  410}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 73   and name HB2 ))
 ASSI {  411}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      3.800     1.800     1.800 peak   411 spectrum    1 weight  0.10000E+01 volume  0.47341E-03 ppm1      9.000 ppm2      4.227 CV     1
 OR {  411}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
 ASSI {  419}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 75   and name HD1%)
      4.300     2.300     1.700 peak   419 spectrum    1 weight  0.10000E+01 volume  0.75897E-03 ppm1      8.875 ppm2      0.787 CV     1
 OR {  419}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 78   and name HD1%)
 ASSI {  420}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HG11))
      5.000     3.100     1.000 peak   420 spectrum    1 weight  0.10000E+01 volume  0.65072E-03 ppm1      8.875 ppm2      1.728 CV     1
 OR {  420}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 4    and name HG  ))
 ASSI {  423}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 82   and name HD1%)
      4.400     2.400     1.600 peak   423 spectrum    1 weight  0.10000E+01 volume  0.80907E-03 ppm1      8.872 ppm2      0.968 CV     1
 OR {  423}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 82   and name HD2%)
 OR {  423}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 4    and name HD2%)
 ASSI {  434}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      3.300     1.400     1.400 peak   434 spectrum    1 weight  0.10000E+01 volume  0.85024E-03 ppm1      8.674 ppm2      4.384 CV     1
 OR {  434}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
 ASSI {  444}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 75   and name HD2%)
      3.200     1.300     1.300 peak   444 spectrum    1 weight  0.10000E+01 volume  0.10078E-02 ppm1      8.694 ppm2      0.873 CV     1
 OR {  444}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
 OR {  444}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 52   and name HD1%)
 ASSI {  445}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 75   and name HD1%)
      4.500     2.500     1.500 peak   445 spectrum    1 weight  0.10000E+01 volume  0.63722E-03 ppm1      8.695 ppm2      0.788 CV     1
 OR {  445}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 78   and name HD1%)
 ASSI {  447}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 15   and name HG2%)
      3.900     1.900     1.900 peak   447 spectrum    1 weight  0.10000E+01 volume  0.16034E-02 ppm1      8.403 ppm2      1.122 CV     1
 OR {  447}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 48   and name HG2%)
 ASSI {  448}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 10   and name HD1%)
      3.700     1.700     1.700 peak   448 spectrum    1 weight  0.10000E+01 volume  0.11106E-02 ppm1      8.403 ppm2      1.035 CV     1
 OR {  448}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 52   and name HD2%)
 OR {  448}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 15   and name HG1%)
 ASSI {  453}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 10   and name HG  ))
      3.100     1.200     1.200 peak   453 spectrum    1 weight  0.10000E+01 volume  0.41905E-02 ppm1      8.403 ppm2      1.885 CV     1
 OR {  453}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HG  ))
 ASSI {  455}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      2.700     0.900     0.900 peak   455 spectrum    1 weight  0.10000E+01 volume  0.33772E-02 ppm1      8.403 ppm2      4.401 CV     1
 OR {  455}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
 ASSI {  464}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HB1 ))
      2.900     1.100     1.100 peak   464 spectrum    1 weight  0.10000E+01 volume  0.21594E-02 ppm1      8.320 ppm2      2.342 CV     1
 OR {  464}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 46   and name HB2 ))
 OR {  464}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 46   and name HB1 ))
 ASSI {  466}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 49   and name HB% )
      3.900     1.900     1.900 peak   466 spectrum    1 weight  0.10000E+01 volume  0.10657E-02 ppm1      8.320 ppm2      1.525 CV     1
 OR {  466}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
 ASSI {  476}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
      3.300     1.300     1.300 peak   476 spectrum    1 weight  0.10000E+01 volume  0.17186E-02 ppm1      7.552 ppm2      2.156 CV     1
 OR {  476}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 34   and name HB1 ))
 ASSI {  478}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      3.300     1.300     1.300 peak   478 spectrum    1 weight  0.10000E+01 volume  0.15978E-02 ppm1      7.553 ppm2      4.364 CV     1
 OR {  478}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
 ASSI {  479}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      2.300     0.700     0.700 peak   479 spectrum    1 weight  0.10000E+01 volume  0.57138E-02 ppm1      7.552 ppm2      7.716 CV     1
 OR {  479}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
 ASSI {  480}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      3.900     1.900     1.900 peak   480 spectrum    1 weight  0.10000E+01 volume  0.80716E-03 ppm1      7.553 ppm2      8.457 CV     1
 OR {  480}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
 ASSI {  481}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      2.100     0.600     0.600 peak   481 spectrum    1 weight  0.10000E+01 volume  0.59376E-02 ppm1      7.507 ppm2      8.047 CV     1
 OR {  481}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
 ASSI {  486}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      3.200     1.300     1.300 peak   486 spectrum    1 weight  0.10000E+01 volume  0.19491E-02 ppm1      7.396 ppm2      4.525 CV     1
 OR {  486}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
 ASSI {  489}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      2.700     0.900     0.900 peak   489 spectrum    1 weight  0.10000E+01 volume  0.24055E-02 ppm1      7.508 ppm2      3.298 CV     1
 OR {  489}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
 ASSI {  495}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
      4.400     2.400     1.600 peak   495 spectrum    1 weight  0.10000E+01 volume  0.60688E-03 ppm1      7.506 ppm2      3.017 CV     1
 OR {  495}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
 ASSI {  503}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 60   and name HD1%)
      4.200     2.200     1.800 peak   503 spectrum    1 weight  0.10000E+01 volume  0.10355E-02 ppm1      8.977 ppm2      0.855 CV     1
 OR {  503}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 52   and name HD1%)
 ASSI {  504}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 52   and name HD2%)
      4.900     3.100     1.100 peak   504 spectrum    1 weight  0.10000E+01 volume  0.54699E-03 ppm1      8.977 ppm2      1.037 CV     1
 OR {  504}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 60   and name HG2%)
 ASSI {  506}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 50   and name HB% )
      3.500     1.500     1.500 peak   506 spectrum    1 weight  0.10000E+01 volume  0.52755E-03 ppm1      8.976 ppm2      1.646 CV     1
 OR {  506}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 13   and name HB% )
 OR {  506}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 2    and name HB% )
 ASSI {  507}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HG2 ))
      4.000     2.000     2.000 peak   507 spectrum    1 weight  0.10000E+01 volume  0.14127E-02 ppm1      8.833 ppm2      1.136 CV     1
 OR {  507}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 10   and name HD2%)
 ASSI {  517}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      3.100     1.200     1.200 peak   517 spectrum    1 weight  0.10000E+01 volume  0.20756E-02 ppm1      8.976 ppm2      4.259 CV     1
 OR {  517}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
 ASSI {  518}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      2.600     0.800     0.800 peak   518 spectrum    1 weight  0.10000E+01 volume  0.38897E-02 ppm1      8.976 ppm2      4.091 CV     1
 OR {  518}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 54   and name HB1 ))
 OR {  518}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
 ASSI {  522}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 51   and name HN  ))
      3.800     1.800     1.800 peak   522 spectrum    1 weight  0.10000E+01 volume  0.90431E-03 ppm1      8.976 ppm2      8.118 CV     1
 OR {  522}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 56   and name HN  ))
 ASSI {  525}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 30   and name HZ  ))
      3.300     1.400     1.400 peak   525 spectrum    1 weight  0.10000E+01 volume  0.18449E-02 ppm1      8.835 ppm2      7.335 CV     1
 OR {  525}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HE  ))
 ASSI {  537}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
      3.800     1.800     1.800 peak   537 spectrum    1 weight  0.10000E+01 volume  0.13101E-02 ppm1      8.833 ppm2      1.393 CV     1
 OR {  537}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HG1 ))
 ASSI {  538}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 10   and name HD1%)
      4.500     2.500     1.500 peak   538 spectrum    1 weight  0.10000E+01 volume  0.72303E-03 ppm1      8.832 ppm2      1.043 CV     1
 OR {  538}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 52   and name HD2%)
 ASSI {  539}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 14   and name HD2%)
      4.500     2.600     1.500 peak   539 spectrum    1 weight  0.10000E+01 volume  0.45228E-03 ppm1      8.833 ppm2      0.888 CV     1
 OR {  539}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 75   and name HD2%)
 OR {  539}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 52   and name HD1%)
 ASSI {  540}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 75   and name HD1%)
      4.100     2.100     1.900 peak   540 spectrum    1 weight  0.10000E+01 volume  0.47858E-03 ppm1      8.834 ppm2      0.792 CV     1
 OR {  540}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 26   and name HD2%)
 OR {  540}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 31   and name HD2%)
 ASSI {  541}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HB1 ))
      2.600     0.900     0.900 peak   541 spectrum    1 weight  0.10000E+01 volume  0.48581E-02 ppm1      8.115 ppm2      2.197 CV     1
 OR {  541}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
 ASSI {  542}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HB2 ))
      2.900     1.000     1.000 peak   542 spectrum    1 weight  0.10000E+01 volume  0.35536E-02 ppm1      8.115 ppm2      2.030 CV     1
 OR {  542}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 52   and name HG  ))
 ASSI {  544}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      3.500     1.500     1.500 peak   544 spectrum    1 weight  0.10000E+01 volume  0.95778E-03 ppm1      8.113 ppm2      3.956 CV     1
 OR {  544}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
 ASSI {  552}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 50   and name HB% )
      2.200     0.600     0.600 peak   552 spectrum    1 weight  0.10000E+01 volume  0.13857E-01 ppm1      8.227 ppm2      1.647 CV     1
 OR {  552}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HB1 ))
 ASSI {  553}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
      2.300     0.700     0.700 peak   553 spectrum    1 weight  0.10000E+01 volume  0.61331E-02 ppm1      8.227 ppm2      1.527 CV     1
 OR {  553}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 49   and name HB% )
 ASSI {  560}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
      2.300     0.700     0.700 peak   560 spectrum    1 weight  0.10000E+01 volume  0.68650E-02 ppm1      8.221 ppm2      2.265 CV     1
 OR {  560}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HB  ))
 ASSI {  563}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 43   and name HD2%)
      4.500     2.600     1.500 peak   563 spectrum    1 weight  0.10000E+01 volume  0.53944E-03 ppm1      8.233 ppm2      1.066 CV     1
 OR {  563}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 74   and name HD2%)
 OR {  563}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 74   and name HD1%)
 OR {  563}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 74   and name HD1%)
 OR {  563}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 74   and name HD2%)
 ASSI {  565}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 47   and name HB2 ))
      4.100     2.100     1.900 peak   565 spectrum    1 weight  0.10000E+01 volume  0.10801E-02 ppm1      8.228 ppm2      2.201 CV     1
 OR {  565}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 51   and name HB1 ))
 OR {  565}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
 OR {  565}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 64   and name HB  ))
 ASSI {  566}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      3.400     1.500     1.500 peak   566 spectrum    1 weight  0.10000E+01 volume  0.92925E-03 ppm1      8.235 ppm2      3.902 CV     1
 OR {  566}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 66   and name HA2 ))
 ASSI {  567}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      2.300     0.600     0.600 peak   567 spectrum    1 weight  0.10000E+01 volume  0.10968E-01 ppm1      8.230 ppm2      4.260 CV     1
 OR {  567}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
 OR {  567}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
 OR {  567}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
 ASSI {  570}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
      2.400     0.700     0.700 peak   570 spectrum    1 weight  0.10000E+01 volume  0.43813E-02 ppm1      8.233 ppm2      8.426 CV     1
 OR {  570}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
 ASSI {  571}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 51   and name HN  ))
      2.600     0.900     0.900 peak   571 spectrum    1 weight  0.10000E+01 volume  0.42534E-02 ppm1      8.228 ppm2      8.131 CV     1
 OR {  571}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 44   and name HN  ))
 ASSI {  573}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      2.700     0.900     0.900 peak   573 spectrum    1 weight  0.10000E+01 volume  0.33699E-02 ppm1      8.221 ppm2      7.811 CV     1
 OR {  573}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
 ASSI {  581}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      3.100     1.200     1.200 peak   581 spectrum    1 weight  0.10000E+01 volume  0.12668E-02 ppm1      8.280 ppm2      4.904 CV     1
 OR {  581}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
 ASSI {  583}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      3.300     1.400     1.400 peak   583 spectrum    1 weight  0.10000E+01 volume  0.18292E-02 ppm1      8.222 ppm2      4.397 CV     1
 OR {  583}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
 OR {  583}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 48   and name HB  ))
 ASSI {  584}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      3.200     1.200     1.200 peak   584 spectrum    1 weight  0.10000E+01 volume  0.21519E-02 ppm1      8.272 ppm2      4.289 CV     1
 OR {  584}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
 OR {  584}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 83   and name HA  ))
 ASSI {  587}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      3.400     1.500     1.500 peak   587 spectrum    1 weight  0.10000E+01 volume  0.10498E-02 ppm1      8.272 ppm2      3.888 CV     1
 OR {  587}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
 ASSI {  589}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HB1 ))
      2.700     0.900     0.900 peak   589 spectrum    1 weight  0.10000E+01 volume  0.55918E-02 ppm1      8.277 ppm2      2.022 CV     1
 OR {  589}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HB1 ))
 ASSI {  590}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HB  ))
      2.200     0.600     0.600 peak   590 spectrum    1 weight  0.10000E+01 volume  0.94815E-02 ppm1      8.273 ppm2      1.930 CV     1
 OR {  590}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HB2 ))
 ASSI {  593}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 81   and name HB% )
      2.800     1.000     1.000 peak   593 spectrum    1 weight  0.10000E+01 volume  0.34096E-02 ppm1      8.280 ppm2      1.622 CV     1
 OR {  593}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 83   and name HB% )
 ASSI {  597}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 15   and name HG2%)
      3.800     1.800     1.800 peak   597 spectrum    1 weight  0.10000E+01 volume  0.20161E-02 ppm1      8.221 ppm2      1.121 CV     1
 OR {  597}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 48   and name HG2%)
 ASSI {  598}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 15   and name HG1%)
      3.500     1.600     1.600 peak   598 spectrum    1 weight  0.10000E+01 volume  0.17830E-02 ppm1      8.221 ppm2      1.032 CV     1
 OR {  598}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 60   and name HG2%)
 OR {  598}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 52   and name HD2%)
 ASSI {  599}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 74   and name HD2%)
      3.600     1.600     1.600 peak   599 spectrum    1 weight  0.10000E+01 volume  0.96857E-03 ppm1      8.274 ppm2      1.058 CV     1
 OR {  599}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 52   and name HD2%)
 OR {  599}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 10   and name HD1%)
 ASSI {  600}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 82   and name HD2%)
      3.200     1.300     1.300 peak   600 spectrum    1 weight  0.10000E+01 volume  0.34759E-02 ppm1      8.277 ppm2      0.968 CV     1
 OR {  600}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 82   and name HD1%)
 OR {  600}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
 OR {  600}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
 OR {  600}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
 ASSI {  601}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
      3.400     1.400     1.400 peak   601 spectrum    1 weight  0.10000E+01 volume  0.34408E-02 ppm1      8.273 ppm2      0.870 CV     1
 OR {  601}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
 OR {  601}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 60   and name HD1%)
 OR {  601}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 52   and name HD1%)
 ASSI {  602}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 78   and name HD1%)
      3.600     1.600     1.600 peak   602 spectrum    1 weight  0.10000E+01 volume  0.19539E-02 ppm1      8.272 ppm2      0.793 CV     1
 OR {  602}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 75   and name HD1%)
 OR {  602}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 78   and name HD1%)
 ASSI {  614}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
      2.500     0.800     0.800 peak   614 spectrum    1 weight  0.10000E+01 volume  0.36326E-02 ppm1      8.500 ppm2      8.232 CV     1
 OR {  614}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
 ASSI {  617}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      3.600     1.600     1.600 peak   617 spectrum    1 weight  0.10000E+01 volume  0.90540E-03 ppm1      8.467 ppm2      4.390 CV     1
 OR {  617}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
 ASSI {  624}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      2.700     0.900     0.900 peak   624 spectrum    1 weight  0.10000E+01 volume  0.35494E-02 ppm1      8.501 ppm2      4.244 CV     1
 OR {  624}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
 ASSI {  625}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HB1 ))
      2.400     0.700     0.700 peak   625 spectrum    1 weight  0.10000E+01 volume  0.64500E-02 ppm1      8.501 ppm2      2.339 CV     1
 OR {  625}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HB2 ))
 OR {  625}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HB1 ))
 ASSI {  628}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HG  ))
      2.300     0.600     0.600 peak   628 spectrum    1 weight  0.10000E+01 volume  0.56795E-02 ppm1      8.414 ppm2      2.040 CV     1
 OR {  628}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HB2 ))
 ASSI {  629}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HB1 ))
      3.000     1.100     1.100 peak   629 spectrum    1 weight  0.10000E+01 volume  0.50721E-02 ppm1      8.414 ppm2      2.208 CV     1
 OR {  629}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
 ASSI {  638}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 52   and name HD1%)
      4.000     2.000     2.000 peak   638 spectrum    1 weight  0.10000E+01 volume  0.14338E-02 ppm1      8.413 ppm2      0.865 CV     1
 OR {  638}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 60   and name HD1%)
 ASSI {  639}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 26   and name HD2%)
      4.200     2.200     1.800 peak   639 spectrum    1 weight  0.10000E+01 volume  0.85258E-03 ppm1      8.466 ppm2      0.790 CV     1
 OR {  639}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 14   and name HD1%)
 ASSI {  640}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 18   and name HB% )
      4.000     2.000     2.000 peak   640 spectrum    1 weight  0.10000E+01 volume  0.53787E-03 ppm1      8.469 ppm2      1.535 CV     1
 OR {  640}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 18   and name HB% )
 ASSI {  643}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      2.600     0.800     0.800 peak   643 spectrum    1 weight  0.10000E+01 volume  0.62044E-02 ppm1      8.082 ppm2      4.099 CV     1
 OR {  643}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HB1 ))
 OR {  643}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
 OR {  643}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
 ASSI {  648}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HG2 ))
      4.700     2.800     1.300 peak   648 spectrum    1 weight  0.10000E+01 volume  0.52816E-03 ppm1      8.081 ppm2      0.996 CV     1
 OR {  648}
   (( segid "    " and resid 55   and name HN  ))
   (  segid "    " and resid 82   and name HD2%)
 ASSI {  650}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 5    and name HB1 ))
      4.900     3.000     1.100 peak   650 spectrum    1 weight  0.10000E+01 volume  0.56860E-03 ppm1      7.890 ppm2      1.576 CV     1
 OR {  650}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
 OR {  650}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 5    and name HG  ))
 ASSI {  651}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 6    and name HG2%)
      4.000     2.000     2.000 peak   651 spectrum    1 weight  0.10000E+01 volume  0.53521E-03 ppm1      7.889 ppm2      1.407 CV     1
 OR {  651}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
 OR {  651}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 11   and name HG1 ))
 ASSI {  653}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 68   and name HG1%)
      3.500     1.500     1.500 peak   653 spectrum    1 weight  0.10000E+01 volume  0.15365E-02 ppm1      7.708 ppm2      1.135 CV     1
 OR {  653}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 10   and name HD2%)
 ASSI {  655}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HG  ))
      4.200     2.200     1.800 peak   655 spectrum    1 weight  0.10000E+01 volume  0.11278E-02 ppm1      7.709 ppm2      0.969 CV     1
 OR {  655}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
 OR {  655}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
 ASSI {  656}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HB1 ))
      2.400     0.700     0.700 peak   656 spectrum    1 weight  0.10000E+01 volume  0.52723E-02 ppm1      7.707 ppm2      2.426 CV     1
 OR {  656}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 68   and name HB  ))
 ASSI {  657}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HB2 ))
      2.900     1.000     1.000 peak   657 spectrum    1 weight  0.10000E+01 volume  0.13064E-02 ppm1      7.707 ppm2      2.269 CV     1
 OR {  657}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 71   and name HB1 ))
 ASSI {  659}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
      2.400     0.700     0.700 peak   659 spectrum    1 weight  0.10000E+01 volume  0.53611E-02 ppm1      7.892 ppm2      2.707 CV     1
 OR {  659}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
 OR {  659}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HB1 ))
 ASSI {  667}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      3.900     1.900     1.900 peak   667 spectrum    1 weight  0.10000E+01 volume  0.66248E-03 ppm1      7.891 ppm2      8.835 CV     1
 OR {  667}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 7    and name HN  ))
 ASSI {  674}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      3.700     1.800     1.800 peak   674 spectrum    1 weight  0.10000E+01 volume  0.69684E-03 ppm1      8.725 ppm2      4.232 CV     1
 OR {  674}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
 ASSI {  677}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HB2 ))
      3.600     1.600     1.600 peak   677 spectrum    1 weight  0.10000E+01 volume  0.20636E-02 ppm1      8.727 ppm2      1.697 CV     1
 OR {  677}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HG  ))
 ASSI {  682}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 10   and name HD2%)
      3.500     1.600     1.600 peak   682 spectrum    1 weight  0.10000E+01 volume  0.15426E-02 ppm1      8.726 ppm2      1.128 CV     1
 OR {  682}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 68   and name HG1%)
 ASSI {  686}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
      2.200     0.600     0.600 peak   686 spectrum    1 weight  0.10000E+01 volume  0.91771E-02 ppm1      8.444 ppm2      1.504 CV     1
 OR {  686}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 44   and name HB% )
 ASSI {  688}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
      3.600     3.600     2.400 peak   688 spectrum    1 weight  0.10000E+01 volume  0.37993E-03 ppm1      8.445 ppm2      2.788 CV     1
 OR {  688}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 71   and name HD2 ))
 ASSI {  689}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 46   and name HB2 ))
      4.800     2.800     1.200 peak   689 spectrum    1 weight  0.10000E+01 volume  0.39746E-03 ppm1      8.446 ppm2      2.321 CV     1
 OR {  689}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 47   and name HB1 ))
 OR {  689}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 46   and name HB1 ))
 ASSI {  690}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      3.000     1.100     1.100 peak   690 spectrum    1 weight  0.10000E+01 volume  0.29777E-02 ppm1      8.444 ppm2      4.279 CV     1
 OR {  690}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
 OR {  690}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
 ASSI {  706}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HA2 ))
      3.200     1.300     1.300 peak   706 spectrum    1 weight  0.10000E+01 volume  0.11537E-02 ppm1      8.075 ppm2      3.866 CV     1
 OR {  706}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
 ASSI {  708}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
      3.100     1.200     1.200 peak   708 spectrum    1 weight  0.10000E+01 volume  0.29061E-02 ppm1      8.074 ppm2      3.036 CV     1
 OR {  708}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HB1 ))
 ASSI {  715}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      2.400     0.700     0.700 peak   715 spectrum    1 weight  0.10000E+01 volume  0.53616E-02 ppm1      8.076 ppm2      1.568 CV     1
 OR {  715}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 5    and name HB1 ))
 ASSI {  716}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 82   and name HD1%)
      3.500     1.500     1.500 peak   716 spectrum    1 weight  0.10000E+01 volume  0.12353E-02 ppm1      7.959 ppm2      0.979 CV     1
 OR {  716}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 4    and name HD2%)
 ASSI {  717}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 4    and name HD1%)
      2.800     1.000     1.000 peak   717 spectrum    1 weight  0.10000E+01 volume  0.10445E-02 ppm1      7.957 ppm2      0.883 CV     1
 OR {  717}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
 ASSI {  718}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 10   and name HD2%)
      4.700     2.700     1.300 peak   718 spectrum    1 weight  0.10000E+01 volume  0.85459E-03 ppm1      8.076 ppm2      1.133 CV     1
 OR {  718}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HG2 ))
 ASSI {  720}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 75   and name HD1%)
      3.900     1.900     1.900 peak   720 spectrum    1 weight  0.10000E+01 volume  0.10505E-02 ppm1      8.075 ppm2      0.790 CV     1
 OR {  720}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 31   and name HD2%)
 OR {  720}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 14   and name HD1%)
 ASSI {  726}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      3.100     1.200     1.200 peak   726 spectrum    1 weight  0.10000E+01 volume  0.19344E-02 ppm1      8.060 ppm2      4.367 CV     1
 OR {  726}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
 ASSI {  731}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      2.500     0.800     0.800 peak   731 spectrum    1 weight  0.10000E+01 volume  0.52968E-02 ppm1      8.058 ppm2      7.718 CV     1
 OR {  731}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
 ASSI {  744}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 64   and name HG1%)
      3.100     1.200     1.200 peak   744 spectrum    1 weight  0.10000E+01 volume  0.31563E-02 ppm1      8.224 ppm2      0.991 CV     1
 OR {  744}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
 OR {  744}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
 ASSI {  747}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 33   and name HD2%)
      4.200     2.200     1.800 peak   747 spectrum    1 weight  0.10000E+01 volume  0.71492E-03 ppm1      8.049 ppm2      1.056 CV     1
 OR {  747}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
 OR {  747}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 70   and name HG2%)
 ASSI {  753}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
      3.100     1.200     1.200 peak   753 spectrum    1 weight  0.10000E+01 volume  0.18251E-02 ppm1      8.048 ppm2      3.292 CV     1
 OR {  753}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
 ASSI {  759}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 30   and name HE% )
      3.800     1.800     1.800 peak   759 spectrum    1 weight  0.10000E+01 volume  0.92114E-03 ppm1      8.048 ppm2      7.206 CV     1
 OR {  759}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
 ASSI {  767}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      3.900     1.900     1.900 peak   767 spectrum    1 weight  0.10000E+01 volume  0.55684E-03 ppm1      7.207 ppm2      3.295 CV     1
 OR {  767}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
 ASSI {  768}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
      4.000     2.000     2.000 peak   768 spectrum    1 weight  0.10000E+01 volume  0.56452E-03 ppm1      7.208 ppm2      3.027 CV     1
 OR {  768}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
 ASSI {  771}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 71   and name HG1 ))
      4.900     2.900     1.100 peak   771 spectrum    1 weight  0.10000E+01 volume  0.40932E-03 ppm1      7.211 ppm2      2.190 CV     1
 OR {  771}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 34   and name HB1 ))
 ASSI {  774}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 33   and name HD2%)
      3.100     1.200     1.200 peak   774 spectrum    1 weight  0.10000E+01 volume  0.24917E-02 ppm1      7.208 ppm2      1.061 CV     1
 OR {  774}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
 ASSI {  776}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 64   and name HG2%)
      4.900     3.000     1.100 peak   776 spectrum    1 weight  0.10000E+01 volume  0.44620E-03 ppm1      8.833 ppm2      1.030 CV     1
 OR {  776}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 60   and name HG2%)
 ASSI {  779}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HB1 ))
      3.200     1.300     1.300 peak   779 spectrum    1 weight  0.10000E+01 volume  0.29012E-02 ppm1      8.833 ppm2      2.836 CV     1
 OR {  779}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 63   and name HB1 ))
 ASSI {  780}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HB2 ))
      2.600     0.900     0.900 peak   780 spectrum    1 weight  0.10000E+01 volume  0.45037E-02 ppm1      8.833 ppm2      2.743 CV     1
 OR {  780}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
 ASSI {  796}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      2.400     0.700     0.700 peak   796 spectrum    1 weight  0.10000E+01 volume  0.52151E-02 ppm1      8.451 ppm2      4.732 CV     1
 OR {  796}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
 ASSI {  802}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      5.300     3.500     0.700 peak   802 spectrum    1 weight  0.10000E+01 volume  0.20287E-03 ppm1      8.141 ppm2      3.886 CV     1
 OR {  802}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 66   and name HA2 ))
 ASSI {  804}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 71   and name HD2 ))
      4.600     2.700     1.400 peak   804 spectrum    1 weight  0.10000E+01 volume  0.78871E-03 ppm1      8.451 ppm2      2.804 CV     1
 OR {  804}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
 ASSI {  812}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 70   and name HG2%)
      3.900     1.900     1.900 peak   812 spectrum    1 weight  0.10000E+01 volume  0.15319E-02 ppm1      8.453 ppm2      1.072 CV     1
 OR {  812}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
 ASSI {  815}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
      3.700     1.700     1.700 peak   815 spectrum    1 weight  0.10000E+01 volume  0.16538E-02 ppm1      8.005 ppm2      0.962 CV     1
 OR {  815}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
 OR {  815}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 64   and name HG1%)
 ASSI {  818}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HB2 ))
      2.700     0.900     0.900 peak   818 spectrum    1 weight  0.10000E+01 volume  0.40316E-02 ppm1      8.005 ppm2      1.918 CV     1
 OR {  818}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 78   and name HB  ))
 ASSI {  825}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
      3.700     1.700     1.700 peak   825 spectrum    1 weight  0.10000E+01 volume  0.14134E-02 ppm1      7.823 ppm2      4.050 CV     1
 OR {  825}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 19   and name HA2 ))
 OR {  825}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 19   and name HA1 ))
 ASSI {  830}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      2.800     1.000     1.000 peak   830 spectrum    1 weight  0.10000E+01 volume  0.32904E-02 ppm1      7.823 ppm2      8.238 CV     1
 OR {  830}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
 ASSI {  837}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      2.600     0.800     0.800 peak   837 spectrum    1 weight  0.10000E+01 volume  0.42206E-02 ppm1      8.756 ppm2      3.951 CV     1
 OR {  837}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
 ASSI {  839}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      3.300     1.300     1.300 peak   839 spectrum    1 weight  0.10000E+01 volume  0.18735E-02 ppm1      8.756 ppm2      4.260 CV     1
 OR {  839}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
 OR {  839}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
 ASSI {  843}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      2.600     0.800     0.800 peak   843 spectrum    1 weight  0.10000E+01 volume  0.39999E-02 ppm1      8.454 ppm2      4.359 CV     1
 OR {  843}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
 ASSI {  850}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 50   and name HB% )
      4.200     2.200     1.800 peak   850 spectrum    1 weight  0.10000E+01 volume  0.77515E-03 ppm1      8.756 ppm2      1.645 CV     1
 OR {  850}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 45   and name HB1 ))
 ASSI {  852}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 47   and name HB1 ))
      4.000     2.000     2.000 peak   852 spectrum    1 weight  0.10000E+01 volume  0.36563E-03 ppm1      8.757 ppm2      2.348 CV     1
 OR {  852}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
 ASSI {  853}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 51   and name HB1 ))
      4.700     2.800     1.300 peak   853 spectrum    1 weight  0.10000E+01 volume  0.42556E-03 ppm1      8.757 ppm2      2.204 CV     1
 OR {  853}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
 OR {  853}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 64   and name HB  ))
 ASSI {  878}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
      3.900     1.900     1.900 peak   878 spectrum    1 weight  0.10000E+01 volume  0.54802E-03 ppm1      7.794 ppm2      2.851 CV     1
 OR {  878}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 46   and name HG1 ))
 ASSI {  880}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      2.500     0.800     0.800 peak   880 spectrum    1 weight  0.10000E+01 volume  0.56174E-02 ppm1      7.794 ppm2      4.273 CV     1
 OR {  880}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
 ASSI {  891}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      4.500     2.500     1.500 peak   891 spectrum    1 weight  0.10000E+01 volume  0.92277E-03 ppm1      7.595 ppm2      0.971 CV     1
 OR {  891}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 82   and name HD2%)
 OR {  891}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 82   and name HD1%)
 ASSI {  894}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 4    and name HD2%)
      3.800     1.800     1.800 peak   894 spectrum    1 weight  0.10000E+01 volume  0.15989E-02 ppm1      9.415 ppm2      0.976 CV     1
 OR {  894}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 82   and name HD1%)
 ASSI {  895}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
      3.400     1.500     1.500 peak   895 spectrum    1 weight  0.10000E+01 volume  0.15548E-02 ppm1      9.416 ppm2      0.880 CV     1
 OR {  895}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 4    and name HD1%)
 ASSI {  898}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HG  ))
      4.300     2.300     1.700 peak   898 spectrum    1 weight  0.10000E+01 volume  0.81522E-03 ppm1      9.417 ppm2      1.698 CV     1
 OR {  898}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 75   and name HG  ))
 ASSI {  899}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HG  ))
      2.500     0.800     0.800 peak   899 spectrum    1 weight  0.10000E+01 volume  0.48733E-02 ppm1      9.416 ppm2      1.583 CV     1
 OR {  899}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HB1 ))
 OR {  899}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HB1 ))
 ASSI {  913}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HB1 ))
      2.300     0.600     0.600 peak   913 spectrum    1 weight  0.10000E+01 volume  0.55935E-02 ppm1      8.144 ppm2      1.606 CV     1
 ASSI {  920}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 60   and name HG2%)
      4.100     2.100     1.900 peak   920 spectrum    1 weight  0.10000E+01 volume  0.10739E-02 ppm1      8.166 ppm2      1.022 CV     1
 OR {  920}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 64   and name HG2%)
 ASSI {    1}
   (  segid "    " and resid 83   and name HB% )
   (( segid "    " and resid 83   and name HA  ))
      2.200     0.600     0.600 peak     1 spectrum    1 weight  0.10000E+01 volume  0.13021E-01 ppm1      1.605 ppm2      4.283 CV     1
 ASSI {    2}
   (  segid "    " and resid 83   and name HB% )
   (( segid "    " and resid 83   and name HN  ))
      2.200     0.600     0.600 peak     2 spectrum    1 weight  0.10000E+01 volume  0.11383E-01 ppm1      1.604 ppm2      7.959 CV     1
 ASSI {    3}
   (( segid "    " and resid 55   and name HD1 ))
   (( segid "    " and resid 55   and name HG2 ))
      2.600     0.900     0.900 peak     3 spectrum    1 weight  0.10000E+01 volume  0.33601E-02 ppm1      3.091 ppm2      0.987 CV     1
 ASSI {    4}
   (( segid "    " and resid 55   and name HD2 ))
   (( segid "    " and resid 55   and name HG2 ))
      2.900     1.100     1.100 peak     4 spectrum    1 weight  0.10000E+01 volume  0.25182E-02 ppm1      3.017 ppm2      0.992 CV     1
 ASSI {    5}
   (( segid "    " and resid 55   and name HD1 ))
   (( segid "    " and resid 55   and name HG1 ))
      2.900     1.100     1.100 peak     5 spectrum    1 weight  0.10000E+01 volume  0.24183E-02 ppm1      3.092 ppm2      1.356 CV     1
 ASSI {    6}
   (( segid "    " and resid 55   and name HD2 ))
   (( segid "    " and resid 55   and name HG1 ))
      2.800     1.000     1.000 peak     6 spectrum    1 weight  0.10000E+01 volume  0.19876E-02 ppm1      3.015 ppm2      1.355 CV     1
 ASSI {    9}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HA  ))
      2.900     1.000     1.000 peak     9 spectrum    1 weight  0.10000E+01 volume  0.31965E-02 ppm1      2.762 ppm2      4.709 CV     1
 ASSI {   12}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 63   and name HN  ))
      3.100     1.200     1.200 peak    12 spectrum    1 weight  0.10000E+01 volume  0.22945E-02 ppm1      4.453 ppm2      8.623 CV     1
 ASSI {   13}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HB1 ))
      2.400     0.700     0.700 peak    13 spectrum    1 weight  0.10000E+01 volume  0.63912E-02 ppm1      4.453 ppm2      2.833 CV     1
 ASSI {   14}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HB2 ))
      2.800     1.000     1.000 peak    14 spectrum    1 weight  0.10000E+01 volume  0.52604E-02 ppm1      4.454 ppm2      2.749 CV     1
 ASSI {   15}
   (( segid "    " and resid 62   and name HA  ))
   (  segid "    " and resid 65   and name HB% )
      3.000     1.100     1.100 peak    15 spectrum    1 weight  0.10000E+01 volume  0.30982E-02 ppm1      4.453 ppm2      1.392 CV     1
 ASSI {   18}
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 62   and name HN  ))
      3.400     1.400     1.400 peak    18 spectrum    1 weight  0.10000E+01 volume  0.18356E-02 ppm1      2.832 ppm2      8.832 CV     1
 ASSI {   19}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 62   and name HN  ))
      2.900     1.100     1.100 peak    19 spectrum    1 weight  0.10000E+01 volume  0.21347E-02 ppm1      2.748 ppm2      8.832 CV     1
 ASSI {   20}
   (( segid "    " and resid 63   and name HB1 ))
   (( segid "    " and resid 63   and name HA  ))
      2.400     0.700     0.700 peak    20 spectrum    1 weight  0.10000E+01 volume  0.63427E-02 ppm1      2.828 ppm2      4.524 CV     1
 ASSI {   23}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HN  ))
      2.700     0.900     0.900 peak    23 spectrum    1 weight  0.10000E+01 volume  0.38629E-02 ppm1      4.485 ppm2      8.697 CV     1
 ASSI {   27}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HN  ))
      2.700     0.900     0.900 peak    27 spectrum    1 weight  0.10000E+01 volume  0.39898E-02 ppm1      4.453 ppm2      8.832 CV     1
 ASSI {   30}
   (( segid "    " and resid 76   and name HB1 ))
   (( segid "    " and resid 76   and name HA  ))
      3.000     1.100     1.100 peak    30 spectrum    1 weight  0.10000E+01 volume  0.28616E-02 ppm1      2.775 ppm2      4.491 CV     1
 ASSI {   31}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 76   and name HA  ))
      2.700     0.900     0.900 peak    31 spectrum    1 weight  0.10000E+01 volume  0.38545E-02 ppm1      2.723 ppm2      4.489 CV     1
 ASSI {   33}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 76   and name HN  ))
      2.700     0.900     0.900 peak    33 spectrum    1 weight  0.10000E+01 volume  0.33719E-02 ppm1      2.719 ppm2      8.696 CV     1
 ASSI {   35}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 77   and name HN  ))
      3.700     1.700     1.700 peak    35 spectrum    1 weight  0.10000E+01 volume  0.14152E-02 ppm1      2.724 ppm2      8.005 CV     1
 ASSI {   36}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HG1 ))
      2.900     1.100     1.100 peak    36 spectrum    1 weight  0.10000E+01 volume  0.27966E-02 ppm1      4.210 ppm2      2.624 CV     1
 ASSI {   37}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HG2 ))
      3.100     1.200     1.200 peak    37 spectrum    1 weight  0.10000E+01 volume  0.46324E-02 ppm1      4.205 ppm2      2.396 CV     1
 ASSI {   38}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HB1 ))
      2.900     1.100     1.100 peak    38 spectrum    1 weight  0.10000E+01 volume  0.46880E-02 ppm1      4.206 ppm2      2.261 CV     1
 ASSI {   39}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
      2.400     0.700     0.700 peak    39 spectrum    1 weight  0.10000E+01 volume  0.60345E-02 ppm1      4.205 ppm2      2.141 CV     1
 ASSI {   43}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 73   and name HB2 ))
      2.800     1.000     1.000 peak    43 spectrum    1 weight  0.10000E+01 volume  0.45612E-02 ppm1      4.237 ppm2      2.264 CV     1
 ASSI {   45}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 73   and name HN  ))
      2.900     1.000     1.000 peak    45 spectrum    1 weight  0.10000E+01 volume  0.22632E-02 ppm1      4.239 ppm2      7.836 CV     1
 ASSI {   48}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
      2.700     0.900     0.900 peak    48 spectrum    1 weight  0.10000E+01 volume  0.39318E-02 ppm1      4.235 ppm2      8.501 CV     1
 ASSI {   50}
   (( segid "    " and resid 73   and name HG2 ))
   (( segid "    " and resid 73   and name HN  ))
      3.000     1.200     1.200 peak    50 spectrum    1 weight  0.10000E+01 volume  0.14572E-02 ppm1      2.506 ppm2      7.839 CV     1
 ASSI {   52}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 73   and name HN  ))
      2.500     0.800     0.800 peak    52 spectrum    1 weight  0.10000E+01 volume  0.26605E-02 ppm1      2.270 ppm2      7.827 CV     1
 ASSI {   54}
   (( segid "    " and resid 73   and name HB1 ))
   (( segid "    " and resid 69   and name HN  ))
      4.900     3.000     1.100 peak    54 spectrum    1 weight  0.10000E+01 volume  0.45373E-03 ppm1      2.482 ppm2      9.100 CV     1
 ASSI {   57}
   (( segid "    " and resid 19   and name HA2 ))
   (( segid "    " and resid 19   and name HN  ))
      2.500     0.800     0.800 peak    57 spectrum    1 weight  0.10000E+01 volume  0.65840E-02 ppm1      4.059 ppm2      8.242 CV     1
 OR {   57}
   (( segid "    " and resid 19   and name HA2 ))
   (( segid "    " and resid 19   and name HN  ))
 OR {   57}
   (( segid "    " and resid 19   and name HA1 ))
   (( segid "    " and resid 19   and name HN  ))
 OR {   57}
   (( segid "    " and resid 19   and name HA1 ))
   (( segid "    " and resid 19   and name HN  ))
 ASSI {   59}
   (( segid "    " and resid 28   and name HA1 ))
   (( segid "    " and resid 28   and name HN  ))
      3.000     1.100     1.100 peak    59 spectrum    1 weight  0.10000E+01 volume  0.42157E-02 ppm1      4.246 ppm2      8.564 CV     1
 ASSI {   61}
   (( segid "    " and resid 28   and name HA2 ))
   (( segid "    " and resid 28   and name HN  ))
      2.500     0.800     0.800 peak    61 spectrum    1 weight  0.10000E+01 volume  0.45437E-02 ppm1      3.876 ppm2      8.562 CV     1
 ASSI {   62}
   (( segid "    " and resid 39   and name HA1 ))
   (( segid "    " and resid 39   and name HN  ))
      2.900     1.000     1.000 peak    62 spectrum    1 weight  0.10000E+01 volume  0.53896E-02 ppm1      4.261 ppm2      7.719 CV     1
 ASSI {   63}
   (( segid "    " and resid 39   and name HA2 ))
   (( segid "    " and resid 39   and name HN  ))
      2.300     0.700     0.700 peak    63 spectrum    1 weight  0.10000E+01 volume  0.73490E-02 ppm1      3.883 ppm2      7.718 CV     1
 ASSI {   64}
   (  segid "    " and resid 43   and name HD2%)
   (( segid "    " and resid 43   and name HA  ))
      2.700     0.900     0.900 peak    64 spectrum    1 weight  0.10000E+01 volume  0.30153E-02 ppm1      1.063 ppm2      4.271 CV     1
 ASSI {   65}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 43   and name HA  ))
      3.500     1.500     1.500 peak    65 spectrum    1 weight  0.10000E+01 volume  0.40413E-02 ppm1      1.006 ppm2      4.271 CV     1
 ASSI {   67}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 43   and name HN  ))
      4.500     2.600     1.500 peak    67 spectrum    1 weight  0.10000E+01 volume  0.81174E-03 ppm1      1.006 ppm2      7.787 CV     1
 ASSI {   68}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      2.600     0.900     0.900 peak    68 spectrum    1 weight  0.10000E+01 volume  0.28852E-02 ppm1      4.313 ppm2      8.415 CV     1
 ASSI {   70}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HA  ))
      2.500     0.800     0.800 peak    70 spectrum    1 weight  0.10000E+01 volume  0.49601E-02 ppm1      4.056 ppm2      4.565 CV     1
 ASSI {   72}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 68   and name HN  ))
      2.100     0.500     0.500 peak    72 spectrum    1 weight  0.10000E+01 volume  0.83221E-02 ppm1      1.211 ppm2      7.308 CV     1
 ASSI {   75}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 5    and name HD1%)
      3.700     1.700     1.700 peak    75 spectrum    1 weight  0.10000E+01 volume  0.10990E-02 ppm1      7.444 ppm2      0.638 CV     1
 OR {   75}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 5    and name HD2%)
 OR {   75}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 5    and name HD2%)
 ASSI {   76}
   (  segid "    " and resid 35   and name HD% )
   (  segid "    " and resid 45   and name HD1%)
      3.400     1.400     1.400 peak    76 spectrum    1 weight  0.10000E+01 volume  0.74177E-03 ppm1      7.114 ppm2      0.238 CV     1
 OR {   76}
   (  segid "    " and resid 35   and name HD% )
   (  segid "    " and resid 45   and name HD1%)
 ASSI {   83}
   (( segid "    " and resid 30   and name HZ  ))
   (( segid "    " and resid 11   and name HN  ))
      4.000     2.000     2.000 peak    83 spectrum    1 weight  0.10000E+01 volume  0.46761E-03 ppm1      7.349 ppm2      8.831 CV     1
 ASSI {   85}
   (  segid "    " and resid 56   and name HE% )
   (  segid "    " and resid 5    and name HD2%)
      2.900     1.100     1.100 peak    85 spectrum    1 weight  0.10000E+01 volume  0.21178E-02 ppm1      6.813 ppm2      0.642 CV     1
 OR {   85}
   (  segid "    " and resid 56   and name HE% )
   (  segid "    " and resid 5    and name HD2%)
 ASSI {   87}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 14   and name HD1%)
      2.900     1.100     1.100 peak    87 spectrum    1 weight  0.10000E+01 volume  0.20443E-02 ppm1      6.741 ppm2      0.772 CV     1
 OR {   87}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 14   and name HD1%)
 ASSI {   89}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 49   and name HA  ))
      2.200     0.600     0.600 peak    89 spectrum    1 weight  0.10000E+01 volume  0.11044E-01 ppm1      1.527 ppm2      3.948 CV     1
 ASSI {   90}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 60   and name HA  ))
      2.500     0.800     0.800 peak    90 spectrum    1 weight  0.10000E+01 volume  0.42896E-02 ppm1      1.025 ppm2      4.656 CV     1
 ASSI {   93}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 61   and name HD2 ))
      2.800     0.900     0.900 peak    93 spectrum    1 weight  0.10000E+01 volume  0.37068E-02 ppm1      1.024 ppm2      3.571 CV     1
 ASSI {   94}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 60   and name HB  ))
      2.300     0.700     0.700 peak    94 spectrum    1 weight  0.10000E+01 volume  0.68955E-02 ppm1      1.022 ppm2      1.785 CV     1
 ASSI {   95}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HB1 ))
      2.600     0.800     0.800 peak    95 spectrum    1 weight  0.10000E+01 volume  0.23496E-02 ppm1      4.211 ppm2      2.013 CV     1
 ASSI {   96}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HG  ))
      3.000     1.100     1.100 peak    96 spectrum    1 weight  0.10000E+01 volume  0.26966E-02 ppm1      4.211 ppm2      1.838 CV     1
 ASSI {   98}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 84   and name HB1 ))
      2.700     0.900     0.900 peak    98 spectrum    1 weight  0.10000E+01 volume  0.39178E-02 ppm1      4.387 ppm2      2.278 CV     1
 ASSI {   99}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 84   and name HB2 ))
      3.000     1.100     1.100 peak    99 spectrum    1 weight  0.10000E+01 volume  0.27261E-02 ppm1      4.389 ppm2      2.137 CV     1
 ASSI {  100}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 82   and name HA  ))
      2.000     0.500     0.500 peak   100 spectrum    1 weight  0.10000E+01 volume  0.12145E-01 ppm1      0.986 ppm2      4.210 CV     1
 ASSI {  101}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 10   and name HA  ))
      2.100     0.600     0.600 peak   101 spectrum    1 weight  0.10000E+01 volume  0.11306E-01 ppm1      1.043 ppm2      4.210 CV     1
 ASSI {  102}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 82   and name HN  ))
      3.500     1.500     1.500 peak   102 spectrum    1 weight  0.10000E+01 volume  0.15101E-02 ppm1      0.986 ppm2      8.284 CV     1
 ASSI {  103}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 82   and name HN  ))
      4.200     2.200     1.800 peak   103 spectrum    1 weight  0.10000E+01 volume  0.99617E-03 ppm1      0.978 ppm2      8.284 CV     1
 ASSI {  105}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 82   and name HG  ))
      2.200     0.600     0.600 peak   105 spectrum    1 weight  0.10000E+01 volume  0.64996E-02 ppm1      0.986 ppm2      1.836 CV     1
 ASSI {  107}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 82   and name HG  ))
      2.300     0.700     0.700 peak   107 spectrum    1 weight  0.10000E+01 volume  0.48139E-02 ppm1      0.979 ppm2      1.842 CV     1
 ASSI {  109}
   (  segid "    " and resid 38   and name HD1%)
   (  segid "    " and resid 26   and name HD1%)
      2.700     0.900     0.900 peak   109 spectrum    1 weight  0.10000E+01 volume  0.33502E-02 ppm1      0.874 ppm2      0.688 CV     1
 ASSI {  110}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 60   and name HG12))
      2.000     0.500     0.500 peak   110 spectrum    1 weight  0.10000E+01 volume  0.12354E-01 ppm1      0.844 ppm2      1.099 CV     1
 ASSI {  111}
   (  segid "    " and resid 38   and name HD1%)
   (  segid "    " and resid 38   and name HG2%)
      2.100     0.500     0.500 peak   111 spectrum    1 weight  0.10000E+01 volume  0.13760E-01 ppm1      0.864 ppm2      1.062 CV     1
 ASSI {  115}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 58   and name HG1%)
      2.200     0.600     0.600 peak   115 spectrum    1 weight  0.10000E+01 volume  0.95462E-02 ppm1      0.793 ppm2      0.905 CV     1
 ASSI {  116}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 78   and name HG12))
      2.300     0.600     0.600 peak   116 spectrum    1 weight  0.10000E+01 volume  0.58363E-02 ppm1      0.794 ppm2      1.287 CV     1
 ASSI {  118}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 60   and name HG11))
      2.200     0.600     0.600 peak   118 spectrum    1 weight  0.10000E+01 volume  0.72499E-02 ppm1      0.845 ppm2      1.497 CV     1
 ASSI {  119}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 38   and name HG12))
      2.200     0.600     0.600 peak   119 spectrum    1 weight  0.10000E+01 volume  0.68867E-02 ppm1      0.867 ppm2      1.535 CV     1
 ASSI {  120}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 78   and name HG11))
      2.100     0.600     0.600 peak   120 spectrum    1 weight  0.10000E+01 volume  0.82867E-02 ppm1      0.793 ppm2      1.716 CV     1
 ASSI {  121}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 49   and name HB% )
      3.200     1.300     1.300 peak   121 spectrum    1 weight  0.10000E+01 volume  0.14525E-02 ppm1      0.794 ppm2      1.528 CV     1
 ASSI {  122}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 52   and name HB2 ))
      2.600     0.900     0.900 peak   122 spectrum    1 weight  0.10000E+01 volume  0.23567E-02 ppm1      0.792 ppm2      1.450 CV     1
 ASSI {  124}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 38   and name HG11))
      2.100     0.600     0.600 peak   124 spectrum    1 weight  0.10000E+01 volume  0.72260E-02 ppm1      0.869 ppm2      1.817 CV     1
 ASSI {  125}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 78   and name HB  ))
      3.200     1.300     1.300 peak   125 spectrum    1 weight  0.10000E+01 volume  0.29720E-02 ppm1      0.793 ppm2      1.936 CV     1
 ASSI {  130}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 52   and name HB1 ))
      3.000     1.100     1.100 peak   130 spectrum    1 weight  0.10000E+01 volume  0.15094E-02 ppm1      0.794 ppm2      2.211 CV     1
 ASSI {  131}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 53   and name HG2 ))
      3.000     1.100     1.100 peak   131 spectrum    1 weight  0.10000E+01 volume  0.10200E-02 ppm1      0.844 ppm2      2.323 CV     1
 ASSI {  132}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 53   and name HG2 ))
      4.000     2.000     2.000 peak   132 spectrum    1 weight  0.10000E+01 volume  0.88046E-03 ppm1      0.792 ppm2      2.320 CV     1
 ASSI {  133}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 38   and name HB  ))
      2.400     0.700     0.700 peak   133 spectrum    1 weight  0.10000E+01 volume  0.68764E-02 ppm1      0.871 ppm2      2.455 CV     1
 ASSI {  135}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 40   and name HB1 ))
      3.800     1.800     1.800 peak   135 spectrum    1 weight  0.10000E+01 volume  0.13711E-02 ppm1      0.872 ppm2      3.013 CV     1
 ASSI {  136}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 40   and name HB2 ))
      3.300     1.400     1.400 peak   136 spectrum    1 weight  0.10000E+01 volume  0.12452E-02 ppm1      0.870 ppm2      2.798 CV     1
 ASSI {  139}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 78   and name HA  ))
      3.300     1.400     1.400 peak   139 spectrum    1 weight  0.10000E+01 volume  0.16734E-02 ppm1      0.843 ppm2      3.744 CV     1
 ASSI {  140}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 78   and name HA  ))
      2.500     0.800     0.800 peak   140 spectrum    1 weight  0.10000E+01 volume  0.30747E-02 ppm1      0.795 ppm2      3.739 CV     1
 ASSI {  142}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 49   and name HA  ))
      3.500     1.600     1.600 peak   142 spectrum    1 weight  0.10000E+01 volume  0.15876E-02 ppm1      0.841 ppm2      3.958 CV     1
 ASSI {  144}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 53   and name HA  ))
      3.100     1.200     1.200 peak   144 spectrum    1 weight  0.10000E+01 volume  0.61315E-03 ppm1      0.791 ppm2      4.094 CV     1
 ASSI {  145}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 75   and name HA  ))
      3.800     1.800     1.800 peak   145 spectrum    1 weight  0.10000E+01 volume  0.13210E-02 ppm1      0.792 ppm2      3.893 CV     1
 ASSI {  146}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 35   and name HA  ))
      2.600     0.900     0.900 peak   146 spectrum    1 weight  0.10000E+01 volume  0.35980E-02 ppm1      0.871 ppm2      4.369 CV     1
 ASSI {  148}
   (  segid "    " and resid 38   and name HD1%)
   (  segid "    " and resid 30   and name HD% )
      3.200     1.300     1.300 peak   148 spectrum    1 weight  0.10000E+01 volume  0.10508E-02 ppm1      0.871 ppm2      7.310 CV     1
 ASSI {  150}
   (  segid "    " and resid 38   and name HD1%)
   (  segid "    " and resid 35   and name HD% )
      2.600     0.900     0.900 peak   150 spectrum    1 weight  0.10000E+01 volume  0.24916E-02 ppm1      0.871 ppm2      7.110 CV     1
 ASSI {  151}
   (  segid "    " and resid 38   and name HD1%)
   (  segid "    " and resid 40   and name HD% )
      3.100     1.200     1.200 peak   151 spectrum    1 weight  0.10000E+01 volume  0.26573E-02 ppm1      0.871 ppm2      6.963 CV     1
 ASSI {  152}
   (  segid "    " and resid 38   and name HD1%)
   (  segid "    " and resid 40   and name HE% )
      3.400     1.500     1.500 peak   152 spectrum    1 weight  0.10000E+01 volume  0.13452E-02 ppm1      0.871 ppm2      6.741 CV     1
 ASSI {  156}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 40   and name HN  ))
      5.000     3.100     1.000 peak   156 spectrum    1 weight  0.10000E+01 volume  0.50729E-03 ppm1      0.868 ppm2      8.057 CV     1
 ASSI {  157}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 78   and name HN  ))
      3.800     1.800     1.800 peak   157 spectrum    1 weight  0.10000E+01 volume  0.13120E-02 ppm1      0.793 ppm2      8.272 CV     1
 ASSI {  161}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 53   and name HN  ))
      4.500     2.500     1.500 peak   161 spectrum    1 weight  0.10000E+01 volume  0.55450E-03 ppm1      0.840 ppm2      8.976 CV     1
 ASSI {  162}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 53   and name HN  ))
      3.200     1.300     1.300 peak   162 spectrum    1 weight  0.10000E+01 volume  0.53835E-03 ppm1      0.794 ppm2      8.976 CV     1
 ASSI {  166}
   (  segid "    " and resid 78   and name HG2%)
   (  segid "    " and resid 5    and name HD2%)
      2.600     0.800     0.800 peak   166 spectrum    1 weight  0.10000E+01 volume  0.39165E-02 ppm1      0.865 ppm2      0.647 CV     1
 ASSI {  168}
   (  segid "    " and resid 60   and name HG2%)
   (  segid "    " and resid 60   and name HD1%)
      2.300     0.600     0.600 peak   168 spectrum    1 weight  0.10000E+01 volume  0.68851E-02 ppm1      1.024 ppm2      0.835 CV     1
 ASSI {  170}
   (  segid "    " and resid 60   and name HG2%)
   (  segid "    " and resid 81   and name HB% )
      3.800     1.800     1.800 peak   170 spectrum    1 weight  0.10000E+01 volume  0.14356E-02 ppm1      1.020 ppm2      1.613 CV     1
 ASSI {  172}
   (  segid "    " and resid 60   and name HG2%)
   (  segid "    " and resid 65   and name HB% )
      3.000     1.100     1.100 peak   172 spectrum    1 weight  0.10000E+01 volume  0.25470E-02 ppm1      1.025 ppm2      1.383 CV     1
 ASSI {  174}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 78   and name HG11))
      2.700     0.900     0.900 peak   174 spectrum    1 weight  0.10000E+01 volume  0.23379E-02 ppm1      0.864 ppm2      1.722 CV     1
 ASSI {  176}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 52   and name HB2 ))
      3.900     1.900     1.900 peak   176 spectrum    1 weight  0.10000E+01 volume  0.95974E-03 ppm1      0.865 ppm2      1.449 CV     1
 ASSI {  177}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 78   and name HG12))
      3.300     1.300     1.300 peak   177 spectrum    1 weight  0.10000E+01 volume  0.34255E-02 ppm1      0.867 ppm2      1.293 CV     1
 ASSI {  180}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 78   and name HB  ))
      2.200     0.600     0.600 peak   180 spectrum    1 weight  0.10000E+01 volume  0.63771E-02 ppm1      0.865 ppm2      1.936 CV     1
 ASSI {  181}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 82   and name HG  ))
      2.700     0.900     0.900 peak   181 spectrum    1 weight  0.10000E+01 volume  0.17956E-02 ppm1      0.864 ppm2      1.840 CV     1
 ASSI {  182}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 64   and name HB  ))
      2.600     0.900     0.900 peak   182 spectrum    1 weight  0.10000E+01 volume  0.25236E-02 ppm1      1.022 ppm2      2.205 CV     1
 ASSI {  183}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 53   and name HG1 ))
      3.300     1.400     1.400 peak   183 spectrum    1 weight  0.10000E+01 volume  0.78691E-03 ppm1      1.530 ppm2      2.747 CV     1
 ASSI {  185}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 75   and name HA  ))
      4.100     2.100     1.900 peak   185 spectrum    1 weight  0.10000E+01 volume  0.73104E-03 ppm1      0.869 ppm2      3.888 CV     1
 ASSI {  186}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 78   and name HA  ))
      2.400     0.700     0.700 peak   186 spectrum    1 weight  0.10000E+01 volume  0.50210E-02 ppm1      0.866 ppm2      3.740 CV     1
 ASSI {  188}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 10   and name HA  ))
      2.500     0.800     0.800 peak   188 spectrum    1 weight  0.10000E+01 volume  0.40183E-02 ppm1      1.669 ppm2      4.212 CV     1
 ASSI {  190}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 79   and name HA  ))
      3.400     1.400     1.400 peak   190 spectrum    1 weight  0.10000E+01 volume  0.96982E-03 ppm1      0.867 ppm2      4.913 CV     1
 ASSI {  191}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 50   and name HN  ))
      2.600     0.900     0.900 peak   191 spectrum    1 weight  0.10000E+01 volume  0.48188E-02 ppm1      1.528 ppm2      8.225 CV     1
 ASSI {  193}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 65   and name HN  ))
      3.400     1.400     1.400 peak   193 spectrum    1 weight  0.10000E+01 volume  0.17627E-02 ppm1      1.023 ppm2      8.210 CV     1
 ASSI {  194}
   (  segid "    " and resid 78   and name HG2%)
   (  segid "    " and resid 56   and name HD% )
      3.900     1.900     1.900 peak   194 spectrum    1 weight  0.10000E+01 volume  0.63585E-03 ppm1      0.866 ppm2      7.439 CV     1
 ASSI {  197}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 49   and name HN  ))
      2.200     0.600     0.600 peak   197 spectrum    1 weight  0.10000E+01 volume  0.89603E-02 ppm1      1.529 ppm2      8.756 CV     1
 ASSI {  198}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 5    and name HN  ))
      4.600     2.700     1.400 peak   198 spectrum    1 weight  0.10000E+01 volume  0.27748E-03 ppm1      0.868 ppm2      9.416 CV     1
 ASSI {  200}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 64   and name HN  ))
      4.800     2.800     1.200 peak   200 spectrum    1 weight  0.10000E+01 volume  0.42759E-03 ppm1      1.022 ppm2      7.395 CV     1
 ASSI {  202}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 52   and name HB1 ))
      3.400     1.500     1.500 peak   202 spectrum    1 weight  0.10000E+01 volume  0.58881E-03 ppm1      0.868 ppm2      2.214 CV     1
 ASSI {  203}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 58   and name HB  ))
      3.900     1.900     1.900 peak   203 spectrum    1 weight  0.10000E+01 volume  0.92337E-03 ppm1      0.868 ppm2      2.146 CV     1
 ASSI {  205}
   (  segid "    " and resid 44   and name HB% )
   (  segid "    " and resid 45   and name HD2%)
      4.500     2.500     1.500 peak   205 spectrum    1 weight  0.10000E+01 volume  0.30852E-03 ppm1      1.513 ppm2      0.357 CV     1
 ASSI {  206}
   (  segid "    " and resid 65   and name HB% )
   (  segid "    " and resid 45   and name HD2%)
      5.100     3.200     0.900 peak   206 spectrum    1 weight  0.10000E+01 volume  0.44763E-03 ppm1      1.387 ppm2      0.356 CV     1
 ASSI {  207}
   (  segid "    " and resid 44   and name HB% )
   (  segid "    " and resid 45   and name HD1%)
      4.700     2.800     1.300 peak   207 spectrum    1 weight  0.10000E+01 volume  0.63101E-03 ppm1      1.509 ppm2      0.239 CV     1
 ASSI {  208}
   (  segid "    " and resid 65   and name HB% )
   (  segid "    " and resid 45   and name HD1%)
      4.200     2.200     1.800 peak   208 spectrum    1 weight  0.10000E+01 volume  0.75260E-03 ppm1      1.390 ppm2      0.240 CV     1
 ASSI {  214}
   (  segid "    " and resid 65   and name HB% )
   (  segid "    " and resid 60   and name HD1%)
      3.000     3.000     3.000 peak   214 spectrum    1 weight  0.10000E+01 volume  0.77444E-03 ppm1      1.388 ppm2      0.829 CV     1
 ASSI {  216}
   (  segid "    " and resid 81   and name HB% )
   (  segid "    " and resid 58   and name HG2%)
      2.300     0.700     0.700 peak   216 spectrum    1 weight  0.10000E+01 volume  0.76426E-02 ppm1      1.625 ppm2      0.961 CV     1
 ASSI {  217}
   (  segid "    " and resid 13   and name HB% )
   (  segid "    " and resid 52   and name HD1%)
      3.000     1.100     1.100 peak   217 spectrum    1 weight  0.10000E+01 volume  0.35804E-02 ppm1      1.669 ppm2      0.863 CV     1
 ASSI {  223}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 33   and name HB2 ))
      3.300     1.300     1.300 peak   223 spectrum    1 weight  0.10000E+01 volume  0.16522E-02 ppm1      1.057 ppm2      1.413 CV     1
 ASSI {  224}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 38   and name HB  ))
      2.500     0.800     0.800 peak   224 spectrum    1 weight  0.10000E+01 volume  0.44350E-02 ppm1      1.059 ppm2      2.454 CV     1
 ASSI {  225}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 38   and name HG11))
      3.600     1.600     1.600 peak   225 spectrum    1 weight  0.10000E+01 volume  0.19387E-02 ppm1      1.060 ppm2      1.822 CV     1
 ASSI {  226}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 33   and name HB1 ))
      2.600     0.900     0.900 peak   226 spectrum    1 weight  0.10000E+01 volume  0.28063E-02 ppm1      1.061 ppm2      1.786 CV     1
 OR {  226}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 33   and name HG  ))
 ASSI {  229}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 64   and name HB  ))
      3.800     1.800     1.800 peak   229 spectrum    1 weight  0.10000E+01 volume  0.16943E-02 ppm1      1.390 ppm2      2.196 CV     1
 ASSI {  234}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 46   and name HG2 ))
      3.300     1.300     1.300 peak   234 spectrum    1 weight  0.10000E+01 volume  0.64152E-03 ppm1      1.390 ppm2      2.754 CV     1
 ASSI {  237}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 46   and name HG1 ))
      3.600     1.700     1.700 peak   237 spectrum    1 weight  0.10000E+01 volume  0.59708E-03 ppm1      1.394 ppm2      2.847 CV     1
 ASSI {  238}
   (  segid "    " and resid 81   and name HB% )
   (( segid "    " and resid 78   and name HA  ))
      2.700     0.900     0.900 peak   238 spectrum    1 weight  0.10000E+01 volume  0.30323E-02 ppm1      1.625 ppm2      3.741 CV     1
 ASSI {  240}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 46   and name HA  ))
      2.700     0.900     0.900 peak   240 spectrum    1 weight  0.10000E+01 volume  0.24199E-02 ppm1      1.393 ppm2      4.270 CV     1
 ASSI {  241}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 42   and name HB1 ))
      4.000     2.000     2.000 peak   241 spectrum    1 weight  0.10000E+01 volume  0.67060E-03 ppm1      1.392 ppm2      4.180 CV     1
 ASSI {  242}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 66   and name HA1 ))
      4.100     2.100     1.900 peak   242 spectrum    1 weight  0.10000E+01 volume  0.89500E-03 ppm1      1.393 ppm2      4.111 CV     1
 ASSI {  243}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 65   and name HA  ))
      2.200     0.600     0.600 peak   243 spectrum    1 weight  0.10000E+01 volume  0.99073E-02 ppm1      1.393 ppm2      3.982 CV     1
 ASSI {  245}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 17   and name HB2 ))
      3.600     1.600     1.600 peak   245 spectrum    1 weight  0.10000E+01 volume  0.84773E-03 ppm1      1.510 ppm2      4.056 CV     1
 ASSI {  246}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 45   and name HA  ))
      3.400     1.400     1.400 peak   246 spectrum    1 weight  0.10000E+01 volume  0.14039E-02 ppm1      1.507 ppm2      3.899 CV     1
 ASSI {  250}
   (  segid "    " and resid 81   and name HB% )
   (( segid "    " and resid 81   and name HA  ))
      2.100     0.600     0.600 peak   250 spectrum    1 weight  0.10000E+01 volume  0.14245E-01 ppm1      1.625 ppm2      4.456 CV     1
 ASSI {  251}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 13   and name HA  ))
      2.200     0.600     0.600 peak   251 spectrum    1 weight  0.10000E+01 volume  0.11845E-01 ppm1      1.668 ppm2      4.399 CV     1
 ASSI {  252}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 40   and name HA  ))
      3.300     1.300     1.300 peak   252 spectrum    1 weight  0.10000E+01 volume  0.32849E-02 ppm1      1.510 ppm2      4.575 CV     1
 ASSI {  253}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 38   and name HA  ))
      2.400     0.700     0.700 peak   253 spectrum    1 weight  0.10000E+01 volume  0.66194E-02 ppm1      1.058 ppm2      4.664 CV     1
 ASSI {  254}
   (  segid "    " and resid 44   and name HB% )
   (  segid "    " and resid 40   and name HD% )
      2.600     0.900     0.900 peak   254 spectrum    1 weight  0.10000E+01 volume  0.31648E-02 ppm1      1.510 ppm2      6.968 CV     1
 ASSI {  255}
   (  segid "    " and resid 44   and name HB% )
   (  segid "    " and resid 40   and name HE% )
      3.300     1.400     1.400 peak   255 spectrum    1 weight  0.10000E+01 volume  0.10728E-02 ppm1      1.510 ppm2      6.738 CV     1
 ASSI {  256}
   (  segid "    " and resid 38   and name HG2%)
   (  segid "    " and resid 40   and name HD% )
      5.100     3.200     0.900 peak   256 spectrum    1 weight  0.10000E+01 volume  0.67337E-03 ppm1      1.062 ppm2      6.974 CV     1
 ASSI {  257}
   (  segid "    " and resid 38   and name HG2%)
   (  segid "    " and resid 40   and name HE% )
      5.400     3.700     0.600 peak   257 spectrum    1 weight  0.10000E+01 volume  0.29933E-03 ppm1      1.057 ppm2      6.732 CV     1
 ASSI {  262}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 13   and name HN  ))
      2.200     0.600     0.600 peak   262 spectrum    1 weight  0.10000E+01 volume  0.98839E-02 ppm1      1.669 ppm2      7.707 CV     1
 ASSI {  263}
   (  segid "    " and resid 81   and name HB% )
   (( segid "    " and resid 81   and name HN  ))
      2.300     0.600     0.600 peak   263 spectrum    1 weight  0.10000E+01 volume  0.91014E-02 ppm1      1.625 ppm2      7.593 CV     1
 ASSI {  264}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 43   and name HN  ))
      4.100     2.100     1.900 peak   264 spectrum    1 weight  0.10000E+01 volume  0.10485E-02 ppm1      1.508 ppm2      7.799 CV     1
 ASSI {  265}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 44   and name HN  ))
      2.300     0.600     0.600 peak   265 spectrum    1 weight  0.10000E+01 volume  0.93687E-02 ppm1      1.509 ppm2      8.138 CV     1
 ASSI {  266}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 66   and name HN  ))
      2.900     1.000     1.000 peak   266 spectrum    1 weight  0.10000E+01 volume  0.26681E-02 ppm1      1.391 ppm2      8.031 CV     1
 ASSI {  267}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 41   and name HN  ))
      2.600     0.800     0.800 peak   267 spectrum    1 weight  0.10000E+01 volume  0.45203E-02 ppm1      1.510 ppm2      7.964 CV     1
 ASSI {  269}
   (  segid "    " and resid 81   and name HB% )
   (( segid "    " and resid 82   and name HN  ))
      2.700     0.900     0.900 peak   269 spectrum    1 weight  0.10000E+01 volume  0.32881E-02 ppm1      1.625 ppm2      8.281 CV     1
 ASSI {  270}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 50   and name HN  ))
      2.200     0.600     0.600 peak   270 spectrum    1 weight  0.10000E+01 volume  0.11493E-01 ppm1      1.648 ppm2      8.227 CV     1
 ASSI {  271}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 51   and name HN  ))
      2.500     0.800     0.800 peak   271 spectrum    1 weight  0.10000E+01 volume  0.53011E-02 ppm1      1.649 ppm2      8.113 CV     1
 ASSI {  272}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 14   and name HN  ))
      2.600     0.800     0.800 peak   272 spectrum    1 weight  0.10000E+01 volume  0.46925E-02 ppm1      1.669 ppm2      8.405 CV     1
 ASSI {  273}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 52   and name HN  ))
      4.700     2.800     1.300 peak   273 spectrum    1 weight  0.10000E+01 volume  0.47633E-03 ppm1      1.648 ppm2      8.408 CV     1
 ASSI {  274}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 45   and name HN  ))
      2.600     0.800     0.800 peak   274 spectrum    1 weight  0.10000E+01 volume  0.47598E-02 ppm1      1.509 ppm2      8.445 CV     1
 ASSI {  275}
   (  segid "    " and resid 13   and name HB% )
   (  segid "    " and resid 56   and name HE% )
      4.700     2.700     1.300 peak   275 spectrum    1 weight  0.10000E+01 volume  0.45391E-03 ppm1      1.674 ppm2      6.810 CV     1
 ASSI {  276}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 69   and name HN  ))
      4.000     2.000     2.000 peak   276 spectrum    1 weight  0.10000E+01 volume  0.10689E-02 ppm1      1.211 ppm2      9.097 CV     1
 ASSI {  277}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 53   and name HN  ))
      4.900     3.100     1.100 peak   277 spectrum    1 weight  0.10000E+01 volume  0.42338E-03 ppm1      0.918 ppm2      8.985 CV     1
 ASSI {  278}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 59   and name HN  ))
      3.500     1.600     1.600 peak   278 spectrum    1 weight  0.10000E+01 volume  0.20281E-02 ppm1      0.918 ppm2      8.480 CV     1
 ASSI {  280}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 56   and name HN  ))
      4.100     2.100     1.900 peak   280 spectrum    1 weight  0.10000E+01 volume  0.53954E-03 ppm1      0.918 ppm2      8.146 CV     1
 ASSI {  281}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 57   and name HN  ))
      3.900     1.900     1.900 peak   281 spectrum    1 weight  0.10000E+01 volume  0.59490E-03 ppm1      0.918 ppm2      7.967 CV     1
 ASSI {  283}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 66   and name HN  ))
      3.300     1.400     1.400 peak   283 spectrum    1 weight  0.10000E+01 volume  0.43786E-03 ppm1      1.212 ppm2      8.037 CV     1
 ASSI {  284}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 18   and name HN  ))
      2.300     0.700     0.700 peak   284 spectrum    1 weight  0.10000E+01 volume  0.98659E-02 ppm1      1.540 ppm2      7.822 CV     1
 ASSI {  285}
   (  segid "    " and resid 85   and name HB% )
   (( segid "    " and resid 85   and name HN  ))
      2.500     0.800     0.800 peak   285 spectrum    1 weight  0.10000E+01 volume  0.87610E-02 ppm1      1.568 ppm2      7.826 CV     1
 ASSI {  286}
   (  segid "    " and resid 85   and name HB% )
   (( segid "    " and resid 84   and name HN  ))
      3.000     3.000     3.000 peak   286 spectrum    1 weight  0.10000E+01 volume  0.74384E-03 ppm1      1.565 ppm2      7.718 CV     1
 ASSI {  288}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 19   and name HN  ))
      3.000     1.100     1.100 peak   288 spectrum    1 weight  0.10000E+01 volume  0.27562E-02 ppm1      1.541 ppm2      8.240 CV     1
 ASSI {  291}
   (  segid "    " and resid 85   and name HB% )
   (( segid "    " and resid 86   and name HN  ))
      3.700     1.700     1.700 peak   291 spectrum    1 weight  0.10000E+01 volume  0.13448E-02 ppm1      1.568 ppm2      7.955 CV     1
 ASSI {  292}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 67   and name HN  ))
      3.600     1.600     1.600 peak   292 spectrum    1 weight  0.10000E+01 volume  0.19102E-02 ppm1      1.211 ppm2      7.484 CV     1
 ASSI {  294}
   (  segid "    " and resid 68   and name HG2%)
   (  segid "    " and resid 35   and name HD% )
      3.500     1.500     1.500 peak   294 spectrum    1 weight  0.10000E+01 volume  0.14113E-02 ppm1      1.210 ppm2      7.112 CV     1
 ASSI {  295}
   (  segid "    " and resid 68   and name HG2%)
   (  segid "    " and resid 35   and name HE% )
      2.500     0.800     0.800 peak   295 spectrum    1 weight  0.10000E+01 volume  0.43240E-02 ppm1      1.211 ppm2      6.915 CV     1
 OR {  295}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 35   and name HZ  ))
 ASSI {  296}
   (  segid "    " and resid 18   and name HB% )
   (  segid "    " and resid 40   and name HD% )
      3.900     1.900     1.900 peak   296 spectrum    1 weight  0.10000E+01 volume  0.10893E-02 ppm1      1.541 ppm2      6.969 CV     1
 ASSI {  297}
   (  segid "    " and resid 18   and name HB% )
   (  segid "    " and resid 40   and name HE% )
      2.900     1.000     1.000 peak   297 spectrum    1 weight  0.10000E+01 volume  0.26877E-02 ppm1      1.541 ppm2      6.742 CV     1
 ASSI {  298}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 65   and name HA  ))
      2.800     1.000     1.000 peak   298 spectrum    1 weight  0.10000E+01 volume  0.22600E-02 ppm1      1.212 ppm2      3.983 CV     1
 ASSI {  299}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 68   and name HA  ))
      3.100     1.200     1.200 peak   299 spectrum    1 weight  0.10000E+01 volume  0.35352E-02 ppm1      1.211 ppm2      4.444 CV     1
 ASSI {  300}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 74   and name HA  ))
      3.000     1.100     1.100 peak   300 spectrum    1 weight  0.10000E+01 volume  0.23170E-02 ppm1      1.211 ppm2      4.305 CV     1
 ASSI {  302}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 82   and name HA  ))
      4.400     2.400     1.600 peak   302 spectrum    1 weight  0.10000E+01 volume  0.10106E-02 ppm1      0.919 ppm2      4.214 CV     1
 ASSI {  303}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 53   and name HA  ))
      2.200     0.600     0.600 peak   303 spectrum    1 weight  0.10000E+01 volume  0.51687E-02 ppm1      0.919 ppm2      4.090 CV     1
 ASSI {  308}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 15   and name HA  ))
      2.900     1.100     1.100 peak   308 spectrum    1 weight  0.10000E+01 volume  0.24664E-02 ppm1      1.542 ppm2      3.930 CV     1
 ASSI {  309}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 18   and name HA  ))
      2.300     0.600     0.600 peak   309 spectrum    1 weight  0.10000E+01 volume  0.12210E-01 ppm1      1.540 ppm2      4.361 CV     1
 ASSI {  310}
   (  segid "    " and resid 86   and name HB% )
   (( segid "    " and resid 86   and name HA  ))
      3.200     1.300     1.300 peak   310 spectrum    1 weight  0.10000E+01 volume  0.16273E-02 ppm1      1.477 ppm2      4.224 CV     1
 ASSI {  316}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 64   and name HA  ))
      3.200     3.200     2.800 peak   316 spectrum    1 weight  0.10000E+01 volume  0.51609E-03 ppm1      1.215 ppm2      3.836 CV     1
 ASSI {  318}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 56   and name HB1 ))
      3.800     1.800     1.800 peak   318 spectrum    1 weight  0.10000E+01 volume  0.13818E-02 ppm1      0.920 ppm2      3.455 CV     1
 ASSI {  321}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 53   and name HB1 ))
      3.800     1.800     1.800 peak   321 spectrum    1 weight  0.10000E+01 volume  0.12077E-02 ppm1      0.919 ppm2      2.506 CV     1
 ASSI {  323}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 53   and name HG2 ))
      2.600     0.900     0.900 peak   323 spectrum    1 weight  0.10000E+01 volume  0.20218E-02 ppm1      0.918 ppm2      2.330 CV     1
 ASSI {  325}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 73   and name HB2 ))
      4.100     2.100     1.900 peak   325 spectrum    1 weight  0.10000E+01 volume  0.13903E-02 ppm1      1.211 ppm2      2.276 CV     1
 ASSI {  327}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 74   and name HB2 ))
      2.300     0.700     0.700 peak   327 spectrum    1 weight  0.10000E+01 volume  0.43385E-02 ppm1      1.211 ppm2      1.695 CV     1
 ASSI {  329}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 60   and name HG11))
      2.800     1.000     1.000 peak   329 spectrum    1 weight  0.10000E+01 volume  0.16482E-02 ppm1      0.917 ppm2      1.494 CV     1
 ASSI {  330}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 52   and name HB2 ))
      3.500     1.600     1.600 peak   330 spectrum    1 weight  0.10000E+01 volume  0.11249E-02 ppm1      0.916 ppm2      1.446 CV     1
 ASSI {  331}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 82   and name HG  ))
      3.200     1.300     1.300 peak   331 spectrum    1 weight  0.10000E+01 volume  0.14435E-02 ppm1      0.918 ppm2      1.829 CV     1
 ASSI {  332}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 58   and name HB  ))
      2.200     0.600     0.600 peak   332 spectrum    1 weight  0.10000E+01 volume  0.83238E-02 ppm1      0.919 ppm2      2.133 CV     1
 ASSI {  333}
   (  segid "    " and resid 68   and name HG2%)
   (  segid "    " and resid 45   and name HD2%)
      2.800     1.000     1.000 peak   333 spectrum    1 weight  0.10000E+01 volume  0.45352E-02 ppm1      1.211 ppm2      0.360 CV     1
 ASSI {  334}
   (  segid "    " and resid 68   and name HG2%)
   (  segid "    " and resid 45   and name HD1%)
      2.400     0.700     0.700 peak   334 spectrum    1 weight  0.10000E+01 volume  0.39600E-02 ppm1      1.211 ppm2      0.239 CV     1
 ASSI {  336}
   (  segid "    " and resid 68   and name HG2%)
   (  segid "    " and resid 77   and name HD2%)
      2.700     0.900     0.900 peak   336 spectrum    1 weight  0.10000E+01 volume  0.56321E-02 ppm1      1.211 ppm2      0.948 CV     1
 OR {  336}
   (  segid "    " and resid 68   and name HG2%)
   (  segid "    " and resid 77   and name HD1%)
 ASSI {  338}
   (  segid "    " and resid 2    and name HB% )
   (  segid "    " and resid 82   and name HD2%)
      2.700     0.900     0.900 peak   338 spectrum    1 weight  0.10000E+01 volume  0.31074E-02 ppm1      1.643 ppm2      0.981 CV     1
 OR {  338}
   (  segid "    " and resid 2    and name HB% )
   (  segid "    " and resid 82   and name HD1%)
 ASSI {  339}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 77   and name HB2 ))
      4.300     2.300     1.700 peak   339 spectrum    1 weight  0.10000E+01 volume  0.46614E-03 ppm1      1.210 ppm2      1.897 CV     1
 ASSI {  340}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 77   and name HG  ))
      3.800     1.800     1.800 peak   340 spectrum    1 weight  0.10000E+01 volume  0.96524E-03 ppm1      1.209 ppm2      1.806 CV     1
 ASSI {  342}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 45   and name HD2%)
      4.100     2.100     1.900 peak   342 spectrum    1 weight  0.10000E+01 volume  0.55635E-03 ppm1      1.126 ppm2      0.352 CV     1
 ASSI {  343}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 45   and name HD1%)
      4.500     2.600     1.500 peak   343 spectrum    1 weight  0.10000E+01 volume  0.57465E-03 ppm1      1.126 ppm2      0.236 CV     1
 ASSI {  344}
   (  segid "    " and resid 24   and name HG2%)
   (  segid "    " and resid 26   and name HD1%)
      3.000     1.100     1.100 peak   344 spectrum    1 weight  0.10000E+01 volume  0.28028E-02 ppm1      1.280 ppm2      0.699 CV     1
 ASSI {  347}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 14   and name HD1%)
      2.300     0.600     0.600 peak   347 spectrum    1 weight  0.10000E+01 volume  0.78805E-02 ppm1      1.126 ppm2      0.768 CV     1
 ASSI {  348}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 34   and name HG2 ))
      2.600     0.900     0.900 peak   348 spectrum    1 weight  0.10000E+01 volume  0.24171E-02 ppm1      1.075 ppm2      1.614 CV     1
 ASSI {  354}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 58   and name HB  ))
      2.300     0.700     0.700 peak   354 spectrum    1 weight  0.10000E+01 volume  0.67364E-02 ppm1      0.968 ppm2      2.134 CV     1
 ASSI {  355}
   (  segid "    " and resid 64   and name HG1%)
   (( segid "    " and resid 64   and name HB  ))
      2.200     0.600     0.600 peak   355 spectrum    1 weight  0.10000E+01 volume  0.83652E-02 ppm1      0.974 ppm2      2.211 CV     1
 ASSI {  357}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 15   and name HB  ))
      2.300     0.700     0.700 peak   357 spectrum    1 weight  0.10000E+01 volume  0.79415E-02 ppm1      1.037 ppm2      2.271 CV     1
 ASSI {  358}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 34   and name HG1 ))
      3.500     1.600     1.600 peak   358 spectrum    1 weight  0.10000E+01 volume  0.15719E-02 ppm1      1.072 ppm2      1.936 CV     1
 ASSI {  359}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 69   and name HB2 ))
      2.700     0.900     0.900 peak   359 spectrum    1 weight  0.10000E+01 volume  0.31960E-02 ppm1      1.072 ppm2      2.874 CV     1
 ASSI {  361}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 69   and name HB1 ))
      3.100     1.200     1.200 peak   361 spectrum    1 weight  0.10000E+01 volume  0.28535E-02 ppm1      1.074 ppm2      3.011 CV     1
 ASSI {  362}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 56   and name HB1 ))
      4.400     2.400     1.600 peak   362 spectrum    1 weight  0.10000E+01 volume  0.97956E-03 ppm1      0.970 ppm2      3.457 CV     1
 ASSI {  363}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 34   and name HD1 ))
      3.100     1.200     1.200 peak   363 spectrum    1 weight  0.10000E+01 volume  0.56681E-03 ppm1      1.073 ppm2      3.457 CV     1
 ASSI {  364}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 34   and name HD2 ))
      4.600     2.600     1.400 peak   364 spectrum    1 weight  0.10000E+01 volume  0.48137E-03 ppm1      1.075 ppm2      3.333 CV     1
 ASSI {  365}
   (  segid "    " and resid 64   and name HG1%)
   (( segid "    " and resid 61   and name HD2 ))
      4.100     2.100     1.900 peak   365 spectrum    1 weight  0.10000E+01 volume  0.81789E-03 ppm1      0.975 ppm2      3.569 CV     1
 ASSI {  368}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 45   and name HB2 ))
      4.200     2.200     1.800 peak   368 spectrum    1 weight  0.10000E+01 volume  0.11855E-02 ppm1      1.123 ppm2      1.480 CV     1
 ASSI {  369}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 5    and name HA  ))
      3.400     1.500     1.500 peak   369 spectrum    1 weight  0.10000E+01 volume  0.20568E-02 ppm1      1.414 ppm2      4.520 CV     1
 ASSI {  371}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 82   and name HA  ))
      3.600     1.600     1.600 peak   371 spectrum    1 weight  0.10000E+01 volume  0.15386E-02 ppm1      0.970 ppm2      4.210 CV     1
 ASSI {  372}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 53   and name HA  ))
      4.400     2.400     1.600 peak   372 spectrum    1 weight  0.10000E+01 volume  0.11344E-02 ppm1      0.967 ppm2      4.087 CV     1
 ASSI {  379}
   (  segid "    " and resid 64   and name HG1%)
   (( segid "    " and resid 64   and name HA  ))
      2.500     0.800     0.800 peak   379 spectrum    1 weight  0.10000E+01 volume  0.56098E-02 ppm1      0.975 ppm2      3.819 CV     1
 ASSI {  380}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 71   and name HD1 ))
      4.200     2.200     1.800 peak   380 spectrum    1 weight  0.10000E+01 volume  0.11641E-02 ppm1      1.073 ppm2      4.031 CV     1
 ASSI {  382}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 17   and name HB2 ))
      4.100     2.100     1.900 peak   382 spectrum    1 weight  0.10000E+01 volume  0.58015E-03 ppm1      1.127 ppm2      4.058 CV     1
 ASSI {  385}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 34   and name HA  ))
      2.600     0.800     0.800 peak   385 spectrum    1 weight  0.10000E+01 volume  0.45137E-02 ppm1      1.073 ppm2      4.737 CV     1
 ASSI {  386}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 70   and name HB  ))
      2.300     0.700     0.700 peak   386 spectrum    1 weight  0.10000E+01 volume  0.73196E-02 ppm1      1.073 ppm2      4.623 CV     1
 ASSI {  387}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 58   and name HA  ))
      2.700     0.900     0.900 peak   387 spectrum    1 weight  0.10000E+01 volume  0.41364E-02 ppm1      0.969 ppm2      4.682 CV     1
 ASSI {  388}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 24   and name HA  ))
      2.700     0.900     0.900 peak   388 spectrum    1 weight  0.10000E+01 volume  0.59327E-02 ppm1      1.278 ppm2      4.332 CV     1
 ASSI {  389}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 24   and name HB  ))
      2.300     0.700     0.700 peak   389 spectrum    1 weight  0.10000E+01 volume  0.89957E-02 ppm1      1.279 ppm2      4.226 CV     1
 ASSI {  391}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 21   and name HB  ))
      2.400     0.700     0.700 peak   391 spectrum    1 weight  0.10000E+01 volume  0.77493E-02 ppm1      1.240 ppm2      4.370 CV     1
 ASSI {  392}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 6    and name HB  ))
      2.200     0.600     0.600 peak   392 spectrum    1 weight  0.10000E+01 volume  0.96279E-02 ppm1      1.414 ppm2      4.851 CV     1
 ASSI {  393}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 70   and name HA  ))
      2.500     0.800     0.800 peak   393 spectrum    1 weight  0.10000E+01 volume  0.41476E-02 ppm1      1.074 ppm2      4.950 CV     1
 ASSI {  394}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 38   and name HA  ))
      3.700     1.700     1.700 peak   394 spectrum    1 weight  0.10000E+01 volume  0.64892E-03 ppm1      1.277 ppm2      4.688 CV     1
 ASSI {  395}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 69   and name HA  ))
      3.200     1.300     1.300 peak   395 spectrum    1 weight  0.10000E+01 volume  0.49994E-03 ppm1      1.071 ppm2      5.266 CV     1
 ASSI {  396}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 32   and name HA  ))
      3.100     1.200     1.200 peak   396 spectrum    1 weight  0.10000E+01 volume  0.22821E-02 ppm1      1.073 ppm2      5.047 CV     1
 ASSI {  397}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 6    and name HA  ))
      3.000     1.200     1.200 peak   397 spectrum    1 weight  0.10000E+01 volume  0.22323E-02 ppm1      1.413 ppm2      4.765 CV     1
 ASSI {  398}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 8    and name HN  ))
      4.800     2.900     1.200 peak   398 spectrum    1 weight  0.10000E+01 volume  0.70120E-03 ppm1      1.412 ppm2      8.258 CV     1
 ASSI {  399}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 9    and name HN  ))
      4.800     2.900     1.200 peak   399 spectrum    1 weight  0.10000E+01 volume  0.46437E-03 ppm1      1.413 ppm2      7.889 CV     1
 ASSI {  400}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 24   and name HN  ))
      3.000     1.100     1.100 peak   400 spectrum    1 weight  0.10000E+01 volume  0.24619E-02 ppm1      1.278 ppm2      8.133 CV     1
 ASSI {  402}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 58   and name HN  ))
      3.800     1.800     1.800 peak   402 spectrum    1 weight  0.10000E+01 volume  0.16709E-02 ppm1      0.969 ppm2      7.523 CV     1
 ASSI {  403}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 70   and name HN  ))
      2.900     1.100     1.100 peak   403 spectrum    1 weight  0.10000E+01 volume  0.25546E-02 ppm1      1.074 ppm2      7.472 CV     1
 ASSI {  409}
   (  segid "    " and resid 64   and name HG1%)
   (( segid "    " and resid 65   and name HN  ))
      3.200     1.300     1.300 peak   409 spectrum    1 weight  0.10000E+01 volume  0.25649E-02 ppm1      0.975 ppm2      8.222 CV     1
 ASSI {  411}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 15   and name HN  ))
      3.500     1.500     1.500 peak   411 spectrum    1 weight  0.10000E+01 volume  0.34912E-02 ppm1      1.034 ppm2      8.465 CV     1
 ASSI {  414}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 25   and name HN  ))
      3.500     1.600     1.600 peak   414 spectrum    1 weight  0.10000E+01 volume  0.20475E-02 ppm1      1.278 ppm2      8.604 CV     1
 ASSI {  417}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 6    and name HN  ))
      2.500     0.800     0.800 peak   417 spectrum    1 weight  0.10000E+01 volume  0.55946E-02 ppm1      1.414 ppm2      9.007 CV     1
 ASSI {  418}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 7    and name HN  ))
      4.300     2.300     1.700 peak   418 spectrum    1 weight  0.10000E+01 volume  0.17451E-02 ppm1      1.412 ppm2      8.842 CV     1
 ASSI {  419}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 69   and name HN  ))
      4.500     2.500     1.500 peak   419 spectrum    1 weight  0.10000E+01 volume  0.54309E-03 ppm1      1.073 ppm2      9.101 CV     1
 ASSI {  420}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 72   and name HN  ))
      4.800     2.900     1.200 peak   420 spectrum    1 weight  0.10000E+01 volume  0.54099E-03 ppm1      1.073 ppm2      8.999 CV     1
 ASSI {  421}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 49   and name HN  ))
      3.500     1.500     1.500 peak   421 spectrum    1 weight  0.10000E+01 volume  0.17440E-02 ppm1      1.127 ppm2      8.755 CV     1
 ASSI {  423}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 78   and name HN  ))
      4.000     2.000     2.000 peak   423 spectrum    1 weight  0.10000E+01 volume  0.61015E-03 ppm1      1.064 ppm2      8.263 CV     1
 OR {  423}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 78   and name HN  ))
 ASSI {  425}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 15   and name HN  ))
      2.100     0.600     0.600 peak   425 spectrum    1 weight  0.10000E+01 volume  0.94749E-02 ppm1      1.113 ppm2      8.465 CV     1
 ASSI {  427}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 34   and name HN  ))
      2.600     2.600     3.400 peak   427 spectrum    1 weight  0.10000E+01 volume  0.18173E-02 ppm1      0.952 ppm2      8.452 CV     1
 ASSI {  428}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 64   and name HN  ))
      2.300     0.700     0.700 peak   428 spectrum    1 weight  0.10000E+01 volume  0.55102E-02 ppm1      1.029 ppm2      7.396 CV     1
 ASSI {  429}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 33   and name HN  ))
      3.400     1.400     1.400 peak   429 spectrum    1 weight  0.10000E+01 volume  0.17007E-02 ppm1      0.953 ppm2      7.201 CV     1
 ASSI {  431}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 33   and name HA  ))
      2.300     0.700     0.700 peak   431 spectrum    1 weight  0.10000E+01 volume  0.10153E-01 ppm1      0.953 ppm2      4.311 CV     1
 ASSI {  432}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 74   and name HA  ))
      2.300     0.700     0.700 peak   432 spectrum    1 weight  0.10000E+01 volume  0.81152E-02 ppm1      1.065 ppm2      4.304 CV     1
 OR {  432}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 74   and name HA  ))
 ASSI {  434}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 3    and name HA  ))
      2.900     1.000     1.000 peak   434 spectrum    1 weight  0.10000E+01 volume  0.42456E-02 ppm1      1.378 ppm2      4.389 CV     1
 ASSI {  435}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 3    and name HB  ))
      2.500     0.800     0.800 peak   435 spectrum    1 weight  0.10000E+01 volume  0.55412E-02 ppm1      1.377 ppm2      4.184 CV     1
 ASSI {  437}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 15   and name HA  ))
      2.400     0.700     0.700 peak   437 spectrum    1 weight  0.10000E+01 volume  0.72810E-02 ppm1      1.113 ppm2      3.927 CV     1
 ASSI {  439}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 49   and name HA  ))
      3.200     1.200     1.200 peak   439 spectrum    1 weight  0.10000E+01 volume  0.17394E-02 ppm1      1.064 ppm2      3.955 CV     1
 OR {  439}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 49   and name HA  ))
 ASSI {  440}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 61   and name HD1 ))
      4.800     2.900     1.200 peak   440 spectrum    1 weight  0.10000E+01 volume  0.83167E-03 ppm1      1.029 ppm2      3.999 CV     1
 ASSI {  442}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 11   and name HA  ))
      3.700     1.700     1.700 peak   442 spectrum    1 weight  0.10000E+01 volume  0.62741E-03 ppm1      1.111 ppm2      3.511 CV     1
 ASSI {  444}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 74   and name HB1 ))
      2.700     0.900     0.900 peak   444 spectrum    1 weight  0.10000E+01 volume  0.26359E-02 ppm1      1.064 ppm2      2.418 CV     1
 OR {  444}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 74   and name HB1 ))
 ASSI {  449}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 64   and name HB  ))
      2.100     0.600     0.600 peak   449 spectrum    1 weight  0.10000E+01 volume  0.80695E-02 ppm1      1.028 ppm2      2.212 CV     1
 ASSI {  450}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 61   and name HB2 ))
      2.400     0.700     0.700 peak   450 spectrum    1 weight  0.10000E+01 volume  0.26939E-02 ppm1      1.029 ppm2      2.069 CV     1
 ASSI {  451}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 33   and name HG  ))
      2.300     0.600     0.600 peak   451 spectrum    1 weight  0.10000E+01 volume  0.10196E-01 ppm1      0.953 ppm2      1.774 CV     1
 OR {  451}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 33   and name HB1 ))
 ASSI {  452}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 74   and name HB2 ))
      2.400     0.700     0.700 peak   452 spectrum    1 weight  0.10000E+01 volume  0.99585E-02 ppm1      1.064 ppm2      1.700 CV     1
 OR {  452}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 74   and name HB2 ))
 ASSI {  453}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 33   and name HB2 ))
      2.800     1.000     1.000 peak   453 spectrum    1 weight  0.10000E+01 volume  0.39537E-02 ppm1      0.952 ppm2      1.411 CV     1
 ASSI {  454}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 26   and name HB1 ))
      2.800     1.000     1.000 peak   454 spectrum    1 weight  0.10000E+01 volume  0.27866E-02 ppm1      1.112 ppm2      1.450 CV     1
 ASSI {  455}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 11   and name HG1 ))
      2.800     1.000     1.000 peak   455 spectrum    1 weight  0.10000E+01 volume  0.29116E-02 ppm1      1.111 ppm2      1.397 CV     1
 ASSI {  460}
   (  segid "    " and resid 74   and name HD1%)
   (  segid "    " and resid 45   and name HD2%)
      3.200     1.300     1.300 peak   460 spectrum    1 weight  0.10000E+01 volume  0.11494E-02 ppm1      1.063 ppm2      0.361 CV     1
 ASSI {  461}
   (  segid "    " and resid 74   and name HD1%)
   (  segid "    " and resid 45   and name HD1%)
      3.000     1.100     1.100 peak   461 spectrum    1 weight  0.10000E+01 volume  0.78713E-03 ppm1      1.060 ppm2      0.241 CV     1
 OR {  461}
   (  segid "    " and resid 74   and name HD2%)
   (  segid "    " and resid 45   and name HD1%)
 ASSI {  462}
   (  segid "    " and resid 15   and name HG2%)
   (  segid "    " and resid 26   and name HD1%)
      3.700     1.700     1.700 peak   462 spectrum    1 weight  0.10000E+01 volume  0.96219E-03 ppm1      1.114 ppm2      0.693 CV     1
 ASSI {  464}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 53   and name HN  ))
      4.900     3.000     1.100 peak   464 spectrum    1 weight  0.10000E+01 volume  0.49143E-03 ppm1      1.033 ppm2      8.992 CV     1
 ASSI {  465}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 11   and name HN  ))
      4.700     2.700     1.300 peak   465 spectrum    1 weight  0.10000E+01 volume  0.51452E-03 ppm1      1.040 ppm2      8.835 CV     1
 ASSI {  468}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 69   and name HN  ))
      4.200     2.200     1.800 peak   468 spectrum    1 weight  0.10000E+01 volume  0.16145E-02 ppm1      1.129 ppm2      9.100 CV     1
 ASSI {  473}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 14   and name HN  ))
      4.300     2.300     1.700 peak   473 spectrum    1 weight  0.10000E+01 volume  0.11708E-02 ppm1      0.765 ppm2      8.407 CV     1
 ASSI {  477}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 4    and name HN  ))
      4.100     2.100     1.900 peak   477 spectrum    1 weight  0.10000E+01 volume  0.11344E-02 ppm1      0.882 ppm2      8.140 CV     1
 ASSI {  478}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 83   and name HN  ))
      4.700     2.700     1.300 peak   478 spectrum    1 weight  0.10000E+01 volume  0.99704E-03 ppm1      0.878 ppm2      7.962 CV     1
 ASSI {  480}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 5    and name HN  ))
      3.400     1.500     1.500 peak   480 spectrum    1 weight  0.10000E+01 volume  0.14417E-02 ppm1      0.881 ppm2      9.421 CV     1
 ASSI {  482}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 45   and name HN  ))
      4.300     2.400     1.700 peak   482 spectrum    1 weight  0.10000E+01 volume  0.10091E-02 ppm1      0.237 ppm2      8.446 CV     1
 ASSI {  488}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 72   and name HN  ))
      3.500     1.500     1.500 peak   488 spectrum    1 weight  0.10000E+01 volume  0.12745E-02 ppm1      0.451 ppm2      9.003 CV     1
 ASSI {  489}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 77   and name HN  ))
      4.100     2.100     1.900 peak   489 spectrum    1 weight  0.10000E+01 volume  0.45244E-03 ppm1      1.131 ppm2      8.013 CV     1
 ASSI {  490}
   (  segid "    " and resid 7    and name HG2%)
   (  segid "    " and resid 30   and name HE% )
      2.600     0.900     0.900 peak   490 spectrum    1 weight  0.10000E+01 volume  0.41330E-02 ppm1      1.385 ppm2      7.209 CV     1
 ASSI {  491}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 30   and name HZ  ))
      2.800     1.000     1.000 peak   491 spectrum    1 weight  0.10000E+01 volume  0.33356E-02 ppm1      1.385 ppm2      7.328 CV     1
 OR {  491}
   (  segid "    " and resid 7    and name HG2%)
   (  segid "    " and resid 30   and name HD% )
 ASSI {  493}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 68   and name HN  ))
      2.400     0.700     0.700 peak   493 spectrum    1 weight  0.10000E+01 volume  0.39981E-02 ppm1      1.130 ppm2      7.307 CV     1
 ASSI {  495}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 74   and name HN  ))
      3.500     1.500     1.500 peak   495 spectrum    1 weight  0.10000E+01 volume  0.14220E-02 ppm1      1.133 ppm2      7.707 CV     1
 ASSI {  496}
   (  segid "    " and resid 52   and name HD2%)
   (  segid "    " and resid 56   and name HD% )
      3.300     1.300     1.300 peak   496 spectrum    1 weight  0.10000E+01 volume  0.24162E-02 ppm1      1.036 ppm2      7.438 CV     1
 ASSI {  497}
   (  segid "    " and resid 82   and name HD2%)
   (  segid "    " and resid 56   and name HD% )
      3.900     1.900     1.900 peak   497 spectrum    1 weight  0.10000E+01 volume  0.92299E-03 ppm1      0.985 ppm2      7.441 CV     1
 ASSI {  498}
   (  segid "    " and resid 52   and name HD2%)
   (  segid "    " and resid 56   and name HE% )
      2.400     0.700     0.700 peak   498 spectrum    1 weight  0.10000E+01 volume  0.53313E-02 ppm1      1.036 ppm2      6.810 CV     1
 ASSI {  499}
   (  segid "    " and resid 68   and name HG1%)
   (  segid "    " and resid 35   and name HE% )
      4.200     2.200     1.800 peak   499 spectrum    1 weight  0.10000E+01 volume  0.13840E-02 ppm1      1.130 ppm2      6.917 CV     1
 ASSI {  501}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 35   and name HE% )
      2.700     0.900     0.900 peak   501 spectrum    1 weight  0.10000E+01 volume  0.28427E-02 ppm1      0.763 ppm2      6.920 CV     1
 ASSI {  502}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 40   and name HE% )
      3.100     1.200     1.200 peak   502 spectrum    1 weight  0.10000E+01 volume  0.14955E-02 ppm1      0.765 ppm2      6.745 CV     1
 ASSI {  503}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 40   and name HE% )
      3.800     1.800     1.800 peak   503 spectrum    1 weight  0.10000E+01 volume  0.70381E-03 ppm1      0.692 ppm2      6.743 CV     1
 ASSI {  504}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 30   and name HD% )
      3.000     1.100     1.100 peak   504 spectrum    1 weight  0.10000E+01 volume  0.22322E-02 ppm1      0.694 ppm2      7.309 CV     1
 ASSI {  505}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 30   and name HE% )
      3.800     1.800     1.800 peak   505 spectrum    1 weight  0.10000E+01 volume  0.60993E-03 ppm1      0.693 ppm2      7.208 CV     1
 ASSI {  506}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 27   and name HN  ))
      4.600     2.600     1.400 peak   506 spectrum    1 weight  0.10000E+01 volume  0.46014E-03 ppm1      0.691 ppm2      8.208 CV     1
 ASSI {  507}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 31   and name HN  ))
      3.800     1.800     1.800 peak   507 spectrum    1 weight  0.10000E+01 volume  0.14622E-02 ppm1      0.453 ppm2      7.508 CV     1
 ASSI {  508}
   (  segid "    " and resid 31   and name HD1%)
   (  segid "    " and resid 30   and name HD% )
      3.000     1.200     1.200 peak   508 spectrum    1 weight  0.10000E+01 volume  0.20600E-02 ppm1      0.453 ppm2      7.328 CV     1
 OR {  508}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 30   and name HZ  ))
 ASSI {  510}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 35   and name HD% )
      3.000     1.200     1.200 peak   510 spectrum    1 weight  0.10000E+01 volume  0.12944E-02 ppm1      0.359 ppm2      7.114 CV     1
 ASSI {  511}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 35   and name HD% )
      3.100     1.200     1.200 peak   511 spectrum    1 weight  0.10000E+01 volume  0.12228E-02 ppm1      0.239 ppm2      7.110 CV     1
 ASSI {  513}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 35   and name HE% )
      3.000     1.100     1.100 peak   513 spectrum    1 weight  0.10000E+01 volume  0.17360E-02 ppm1      0.358 ppm2      6.917 CV     1
 ASSI {  515}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 7    and name HA  ))
      2.600     0.900     0.900 peak   515 spectrum    1 weight  0.10000E+01 volume  0.45153E-02 ppm1      1.385 ppm2      3.868 CV     1
 ASSI {  516}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 7    and name HB  ))
      2.400     0.700     0.700 peak   516 spectrum    1 weight  0.10000E+01 volume  0.68699E-02 ppm1      1.385 ppm2      4.318 CV     1
 ASSI {  517}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 68   and name HA  ))
      2.300     0.700     0.700 peak   517 spectrum    1 weight  0.10000E+01 volume  0.73714E-02 ppm1      1.130 ppm2      4.444 CV     1
 ASSI {  518}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 74   and name HA  ))
      2.400     0.700     0.700 peak   518 spectrum    1 weight  0.10000E+01 volume  0.47478E-02 ppm1      1.130 ppm2      4.309 CV     1
 ASSI {  520}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 65   and name HA  ))
      3.200     1.300     1.300 peak   520 spectrum    1 weight  0.10000E+01 volume  0.14257E-02 ppm1      1.132 ppm2      3.987 CV     1
 ASSI {  522}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 52   and name HA  ))
      2.300     0.600     0.600 peak   522 spectrum    1 weight  0.10000E+01 volume  0.64985E-02 ppm1      1.036 ppm2      4.311 CV     1
 ASSI {  523}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 56   and name HB1 ))
      2.600     0.900     0.900 peak   523 spectrum    1 weight  0.10000E+01 volume  0.21983E-02 ppm1      0.986 ppm2      3.451 CV     1
 ASSI {  527}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 14   and name HA  ))
      2.200     0.600     0.600 peak   527 spectrum    1 weight  0.10000E+01 volume  0.78871E-02 ppm1      0.764 ppm2      4.404 CV     1
 ASSI {  530}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 72   and name HA  ))
      2.600     0.800     0.800 peak   530 spectrum    1 weight  0.10000E+01 volume  0.37904E-02 ppm1      0.452 ppm2      3.605 CV     1
 ASSI {  532}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 45   and name HA  ))
      2.500     0.800     0.800 peak   532 spectrum    1 weight  0.10000E+01 volume  0.38317E-02 ppm1      0.358 ppm2      3.897 CV     1
 ASSI {  534}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 35   and name HB1 ))
      3.300     1.300     1.300 peak   534 spectrum    1 weight  0.10000E+01 volume  0.74678E-03 ppm1      0.359 ppm2      3.585 CV     1
 ASSI {  535}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 35   and name HB1 ))
      3.700     1.700     1.700 peak   535 spectrum    1 weight  0.10000E+01 volume  0.66161E-03 ppm1      0.237 ppm2      3.592 CV     1
 ASSI {  536}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 48   and name HB  ))
      4.600     2.600     1.400 peak   536 spectrum    1 weight  0.10000E+01 volume  0.70871E-03 ppm1      0.238 ppm2      4.406 CV     1
 ASSI {  537}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 42   and name HA  ))
      3.100     1.200     1.200 peak   537 spectrum    1 weight  0.10000E+01 volume  0.14143E-02 ppm1      0.238 ppm2      4.266 CV     1
 ASSI {  538}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 66   and name HA1 ))
      4.800     2.900     1.200 peak   538 spectrum    1 weight  0.10000E+01 volume  0.55396E-03 ppm1      0.240 ppm2      4.115 CV     1
 ASSI {  539}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 48   and name HB  ))
      4.100     2.100     1.900 peak   539 spectrum    1 weight  0.10000E+01 volume  0.70855E-03 ppm1      0.359 ppm2      4.419 CV     1
 ASSI {  541}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 79   and name HB1 ))
      4.500     2.500     1.500 peak   541 spectrum    1 weight  0.10000E+01 volume  0.11013E-02 ppm1      0.883 ppm2      3.081 CV     1
 ASSI {  542}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 79   and name HB2 ))
      4.600     2.700     1.400 peak   542 spectrum    1 weight  0.10000E+01 volume  0.22099E-02 ppm1      0.882 ppm2      2.766 CV     1
 ASSI {  543}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 11   and name HA  ))
      4.200     2.200     1.800 peak   543 spectrum    1 weight  0.10000E+01 volume  0.42173E-03 ppm1      0.693 ppm2      3.517 CV     1
 ASSI {  544}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 30   and name HB1 ))
      3.100     1.200     1.200 peak   544 spectrum    1 weight  0.10000E+01 volume  0.23789E-02 ppm1      0.694 ppm2      3.290 CV     1
 ASSI {  546}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 31   and name HA  ))
      2.100     0.600     0.600 peak   546 spectrum    1 weight  0.10000E+01 volume  0.78506E-02 ppm1      0.453 ppm2      3.301 CV     1
 ASSI {  550}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 71   and name HB1 ))
      3.300     1.400     1.400 peak   550 spectrum    1 weight  0.10000E+01 volume  0.24371E-02 ppm1      0.453 ppm2      2.233 CV     1
 ASSI {  551}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 38   and name HB  ))
      3.600     1.600     1.600 peak   551 spectrum    1 weight  0.10000E+01 volume  0.73088E-03 ppm1      0.694 ppm2      2.455 CV     1
 ASSI {  552}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 56   and name HB2 ))
      3.300     1.400     1.400 peak   552 spectrum    1 weight  0.10000E+01 volume  0.10212E-02 ppm1      0.987 ppm2      2.784 CV     1
 ASSI {  556}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 10   and name HB1 ))
      3.400     1.500     1.500 peak   556 spectrum    1 weight  0.10000E+01 volume  0.30966E-02 ppm1      1.043 ppm2      2.334 CV     1
 ASSI {  557}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 77   and name HB1 ))
      3.400     1.500     1.500 peak   557 spectrum    1 weight  0.10000E+01 volume  0.14445E-02 ppm1      1.130 ppm2      2.043 CV     1
 ASSI {  559}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 77   and name HG  ))
      3.500     1.500     1.500 peak   559 spectrum    1 weight  0.10000E+01 volume  0.10542E-02 ppm1      1.130 ppm2      1.811 CV     1
 ASSI {  560}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 74   and name HB2 ))
      2.900     1.100     1.100 peak   560 spectrum    1 weight  0.10000E+01 volume  0.31513E-02 ppm1      1.131 ppm2      1.705 CV     1
 ASSI {  561}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 14   and name HB1 ))
      3.500     1.500     1.500 peak   561 spectrum    1 weight  0.10000E+01 volume  0.25137E-02 ppm1      0.763 ppm2      1.980 CV     1
 ASSI {  562}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 14   and name HG  ))
      2.300     0.700     0.700 peak   562 spectrum    1 weight  0.10000E+01 volume  0.62496E-02 ppm1      0.764 ppm2      1.884 CV     1
 ASSI {  563}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 82   and name HB1 ))
      4.100     2.100     1.900 peak   563 spectrum    1 weight  0.10000E+01 volume  0.21871E-02 ppm1      0.882 ppm2      2.009 CV     1
 ASSI {  564}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 71   and name HB2 ))
      2.300     0.700     0.700 peak   564 spectrum    1 weight  0.10000E+01 volume  0.35049E-02 ppm1      0.453 ppm2      2.016 CV     1
 ASSI {  567}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 31   and name HB1 ))
      2.600     0.900     0.900 peak   567 spectrum    1 weight  0.10000E+01 volume  0.32185E-02 ppm1      0.452 ppm2      1.633 CV     1
 ASSI {  568}
   (  segid "    " and resid 31   and name HD1%)
   (  segid "    " and resid 7    and name HG2%)
      2.700     0.900     0.900 peak   568 spectrum    1 weight  0.10000E+01 volume  0.40969E-02 ppm1      0.452 ppm2      1.388 CV     1
 ASSI {  569}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 45   and name HB1 ))
      2.700     0.900     0.900 peak   569 spectrum    1 weight  0.10000E+01 volume  0.30496E-02 ppm1      0.359 ppm2      1.648 CV     1
 ASSI {  570}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 45   and name HB1 ))
      2.600     0.800     0.800 peak   570 spectrum    1 weight  0.10000E+01 volume  0.36427E-02 ppm1      0.238 ppm2      1.645 CV     1
 ASSI {  572}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 45   and name HB2 ))
      2.700     0.900     0.900 peak   572 spectrum    1 weight  0.10000E+01 volume  0.27305E-02 ppm1      0.238 ppm2      1.503 CV     1
 ASSI {  573}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 45   and name HG  ))
      2.300     0.700     0.700 peak   573 spectrum    1 weight  0.10000E+01 volume  0.52949E-02 ppm1      0.356 ppm2      1.349 CV     1
 ASSI {  574}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 45   and name HG  ))
      2.300     0.700     0.700 peak   574 spectrum    1 weight  0.10000E+01 volume  0.56877E-02 ppm1      0.237 ppm2      1.357 CV     1
 ASSI {  575}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 26   and name HG  ))
      2.400     0.700     0.700 peak   575 spectrum    1 weight  0.10000E+01 volume  0.57841E-02 ppm1      0.692 ppm2      1.574 CV     1
 ASSI {  576}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 26   and name HB1 ))
      3.200     1.300     1.300 peak   576 spectrum    1 weight  0.10000E+01 volume  0.30449E-02 ppm1      0.693 ppm2      1.438 CV     1
 ASSI {  579}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 14   and name HB2 ))
      2.500     0.800     0.800 peak   579 spectrum    1 weight  0.10000E+01 volume  0.35995E-02 ppm1      0.764 ppm2      1.435 CV     1
 ASSI {  580}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 4    and name HG  ))
      2.300     0.700     0.700 peak   580 spectrum    1 weight  0.10000E+01 volume  0.65273E-02 ppm1      0.882 ppm2      1.704 CV     1
 ASSI {  582}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 4    and name HB2 ))
      2.400     0.700     0.700 peak   582 spectrum    1 weight  0.10000E+01 volume  0.42444E-02 ppm1      0.881 ppm2      1.472 CV     1
 ASSI {  583}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 82   and name HB2 ))
      2.800     1.000     1.000 peak   583 spectrum    1 weight  0.10000E+01 volume  0.67103E-02 ppm1      0.986 ppm2      1.564 CV     1
 ASSI {  584}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 82   and name HB1 ))
      2.700     0.900     0.900 peak   584 spectrum    1 weight  0.10000E+01 volume  0.23453E-02 ppm1      0.987 ppm2      2.017 CV     1
 ASSI {  592}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 26   and name HB2 ))
      2.600     0.900     0.900 peak   592 spectrum    1 weight  0.10000E+01 volume  0.51991E-02 ppm1      0.692 ppm2      1.256 CV     1
 ASSI {  595}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 14   and name HD2%)
      2.400     0.700     0.700 peak   595 spectrum    1 weight  0.10000E+01 volume  0.78293E-02 ppm1      0.764 ppm2      0.885 CV     1
 ASSI {  596}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 31   and name HG  ))
      2.200     0.600     0.600 peak   596 spectrum    1 weight  0.10000E+01 volume  0.72962E-02 ppm1      0.452 ppm2      1.180 CV     1
 ASSI {  597}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 31   and name HB2 ))
      3.100     1.200     1.200 peak   597 spectrum    1 weight  0.10000E+01 volume  0.48001E-02 ppm1      0.453 ppm2      1.028 CV     1
 ASSI {  599}
   (  segid "    " and resid 31   and name HD1%)
   (  segid "    " and resid 31   and name HD2%)
      2.100     0.500     0.500 peak   599 spectrum    1 weight  0.10000E+01 volume  0.13416E-01 ppm1      0.453 ppm2      0.786 CV     1
 ASSI {  604}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 74   and name HD1%)
      3.100     1.200     1.200 peak   604 spectrum    1 weight  0.10000E+01 volume  0.19385E-02 ppm1      0.357 ppm2      1.084 CV     1
 OR {  604}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 74   and name HD2%)
 ASSI {  609}
   (  segid "    " and resid 7    and name HG2%)
   (  segid "    " and resid 31   and name HD2%)
      2.500     0.800     0.800 peak   609 spectrum    1 weight  0.10000E+01 volume  0.46874E-02 ppm1      1.384 ppm2      0.775 CV     1
 ASSI {  615}
   (  segid "    " and resid 68   and name HG1%)
   (  segid "    " and resid 45   and name HD2%)
      4.300     2.300     1.700 peak   615 spectrum    1 weight  0.10000E+01 volume  0.10498E-02 ppm1      1.129 ppm2      0.364 CV     1
 ASSI {  616}
   (  segid "    " and resid 68   and name HG1%)
   (  segid "    " and resid 45   and name HD1%)
      4.800     2.800     1.200 peak   616 spectrum    1 weight  0.10000E+01 volume  0.79371E-03 ppm1      1.131 ppm2      0.235 CV     1
 ASSI {  617}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 45   and name HD2%)
      3.600     1.700     1.700 peak   617 spectrum    1 weight  0.10000E+01 volume  0.64838E-03 ppm1      0.761 ppm2      0.348 CV     1
 ASSI {  618}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 45   and name HD1%)
      3.900     1.900     1.900 peak   618 spectrum    1 weight  0.10000E+01 volume  0.13545E-02 ppm1      0.763 ppm2      0.239 CV     1
 ASSI {  623}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 5    and name HB2 ))
      2.600     0.900     0.900 peak   623 spectrum    1 weight  0.10000E+01 volume  0.24856E-02 ppm1      0.612 ppm2      1.350 CV     1
 ASSI {  626}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 75   and name HD1%)
      2.300     0.700     0.700 peak   626 spectrum    1 weight  0.10000E+01 volume  0.67081E-02 ppm1      0.612 ppm2      0.808 CV     1
 ASSI {  635}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 31   and name HB1 ))
      3.300     1.400     1.400 peak   635 spectrum    1 weight  0.10000E+01 volume  0.39482E-02 ppm1      0.779 ppm2      1.622 CV     1
 ASSI {  639}
   (  segid "    " and resid 43   and name HD2%)
   (( segid "    " and resid 43   and name HB1 ))
      2.800     1.000     1.000 peak   639 spectrum    1 weight  0.10000E+01 volume  0.30866E-02 ppm1      1.063 ppm2      1.884 CV     1
 ASSI {  640}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 43   and name HB1 ))
      2.800     1.000     1.000 peak   640 spectrum    1 weight  0.10000E+01 volume  0.30973E-02 ppm1      1.008 ppm2      1.878 CV     1
 ASSI {  643}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 43   and name HG  ))
      2.600     0.900     0.900 peak   643 spectrum    1 weight  0.10000E+01 volume  0.37284E-02 ppm1      1.006 ppm2      1.735 CV     1
 ASSI {  644}
   (  segid "    " and resid 43   and name HD2%)
   (( segid "    " and resid 43   and name HG  ))
      2.700     0.900     0.900 peak   644 spectrum    1 weight  0.10000E+01 volume  0.25655E-02 ppm1      1.060 ppm2      1.729 CV     1
 ASSI {  645}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 78   and name HB  ))
      3.300     1.400     1.400 peak   645 spectrum    1 weight  0.10000E+01 volume  0.14924E-02 ppm1      0.613 ppm2      1.930 CV     1
 ASSI {  646}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 78   and name HB  ))
      3.800     1.800     1.800 peak   646 spectrum    1 weight  0.10000E+01 volume  0.58995E-03 ppm1      0.654 ppm2      1.938 CV     1
 ASSI {  648}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 75   and name HB1 ))
      4.000     2.000     2.000 peak   648 spectrum    1 weight  0.10000E+01 volume  0.12339E-02 ppm1      0.794 ppm2      2.193 CV     1
 ASSI {  649}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 9    and name HB2 ))
      3.300     1.400     1.400 peak   649 spectrum    1 weight  0.10000E+01 volume  0.21787E-02 ppm1      0.655 ppm2      2.700 CV     1
 ASSI {  650}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 9    and name HB2 ))
      3.800     1.800     1.800 peak   650 spectrum    1 weight  0.10000E+01 volume  0.63830E-03 ppm1      0.614 ppm2      2.694 CV     1
 ASSI {  651}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 77   and name HB1 ))
      2.800     1.000     1.000 peak   651 spectrum    1 weight  0.10000E+01 volume  0.28356E-02 ppm1      0.954 ppm2      2.038 CV     1
 OR {  651}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 77   and name HB1 ))
 ASSI {  652}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 9    and name HB1 ))
      3.200     1.200     1.200 peak   652 spectrum    1 weight  0.10000E+01 volume  0.19806E-02 ppm1      0.655 ppm2      3.039 CV     1
 ASSI {  653}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 9    and name HB1 ))
      3.800     1.800     1.800 peak   653 spectrum    1 weight  0.10000E+01 volume  0.59033E-03 ppm1      0.614 ppm2      3.025 CV     1
 ASSI {  656}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 72   and name HA  ))
      4.700     2.700     1.300 peak   656 spectrum    1 weight  0.10000E+01 volume  0.86734E-03 ppm1      0.779 ppm2      3.609 CV     1
 ASSI {  657}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 75   and name HA  ))
      2.300     0.600     0.600 peak   657 spectrum    1 weight  0.10000E+01 volume  0.75603E-02 ppm1      0.792 ppm2      3.883 CV     1
 ASSI {  660}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 10   and name HA  ))
      3.500     1.500     1.500 peak   660 spectrum    1 weight  0.10000E+01 volume  0.10361E-02 ppm1      0.654 ppm2      4.208 CV     1
 ASSI {  662}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 5    and name HA  ))
      3.700     1.700     1.700 peak   662 spectrum    1 weight  0.10000E+01 volume  0.29555E-02 ppm1      0.653 ppm2      4.526 CV     1
 ASSI {  663}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 5    and name HA  ))
      3.600     1.600     1.600 peak   663 spectrum    1 weight  0.10000E+01 volume  0.22502E-02 ppm1      0.613 ppm2      4.525 CV     1
 ASSI {  664}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 4    and name HA  ))
      4.200     2.200     1.800 peak   664 spectrum    1 weight  0.10000E+01 volume  0.57323E-03 ppm1      0.655 ppm2      4.354 CV     1
 ASSI {  666}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 5    and name HA  ))
      4.300     2.300     1.700 peak   666 spectrum    1 weight  0.10000E+01 volume  0.42123E-03 ppm1      0.794 ppm2      4.516 CV     1
 ASSI {  670}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 42   and name H28A))
      3.200     3.200     2.800 peak   670 spectrum    1 weight  0.10000E+01 volume  0.54911E-03 ppm1      1.009 ppm2      3.498 CV     1
 ASSI {  671}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 72   and name HH21))
      3.600     1.700     1.700 peak   671 spectrum    1 weight  0.10000E+01 volume  0.19965E-02 ppm1      0.778 ppm2      6.901 CV     1
 OR {  671}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 72   and name HH22))
 OR {  671}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 72   and name HH11))
 OR {  671}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 72   and name HH12))
 ASSI {  672}
   (  segid "    " and resid 5    and name HD2%)
   (  segid "    " and resid 56   and name HE% )
      3.100     1.200     1.200 peak   672 spectrum    1 weight  0.10000E+01 volume  0.14489E-02 ppm1      0.655 ppm2      6.810 CV     1
 ASSI {  673}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 56   and name HE% )
      3.800     1.800     1.800 peak   673 spectrum    1 weight  0.10000E+01 volume  0.10704E-02 ppm1      0.613 ppm2      6.809 CV     1
 ASSI {  677}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 56   and name HD% )
      4.500     2.500     1.500 peak   677 spectrum    1 weight  0.10000E+01 volume  0.47173E-03 ppm1      0.612 ppm2      7.444 CV     1
 ASSI {  678}
   (  segid "    " and resid 5    and name HD2%)
   (  segid "    " and resid 56   and name HD% )
      3.800     1.800     1.800 peak   678 spectrum    1 weight  0.10000E+01 volume  0.10331E-02 ppm1      0.654 ppm2      7.438 CV     1
 ASSI {  685}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 10   and name HN  ))
      3.800     1.800     1.800 peak   685 spectrum    1 weight  0.10000E+01 volume  0.49037E-03 ppm1      0.614 ppm2      8.081 CV     1
 ASSI {  688}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 5    and name HN  ))
      3.500     1.500     1.500 peak   688 spectrum    1 weight  0.10000E+01 volume  0.76611E-03 ppm1      0.613 ppm2      9.419 CV     1
 ASSI {  690}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 6    and name HN  ))
      4.300     2.300     1.700 peak   690 spectrum    1 weight  0.10000E+01 volume  0.48117E-03 ppm1      0.609 ppm2      9.007 CV     1
 ASSI {  691}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 6    and name HN  ))
      4.300     2.300     1.700 peak   691 spectrum    1 weight  0.10000E+01 volume  0.12376E-02 ppm1      0.654 ppm2      9.003 CV     1
 ASSI {  692}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 5    and name HN  ))
      3.900     1.900     1.900 peak   692 spectrum    1 weight  0.10000E+01 volume  0.62736E-03 ppm1      0.790 ppm2      9.413 CV     1
 ASSI {  693}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 53   and name HN  ))
      4.500     2.500     1.500 peak   693 spectrum    1 weight  0.10000E+01 volume  0.61609E-03 ppm1      0.864 ppm2      8.983 CV     1
 ASSI {  698}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 52   and name HN  ))
      3.700     1.700     1.700 peak   698 spectrum    1 weight  0.10000E+01 volume  0.23967E-02 ppm1      0.862 ppm2      8.413 CV     1
 ASSI {  699}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 78   and name HN  ))
      5.200     3.400     0.800 peak   699 spectrum    1 weight  0.10000E+01 volume  0.44553E-03 ppm1      0.863 ppm2      8.266 CV     1
 ASSI {  702}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 5    and name HN  ))
      3.800     1.800     1.800 peak   702 spectrum    1 weight  0.10000E+01 volume  0.10665E-02 ppm1      0.977 ppm2      9.417 CV     1
 ASSI {  705}
   (( segid "    " and resid 52   and name HG  ))
   (( segid "    " and resid 52   and name HN  ))
      2.500     0.800     0.800 peak   705 spectrum    1 weight  0.10000E+01 volume  0.31475E-02 ppm1      2.043 ppm2      8.414 CV     1
 ASSI {  707}
   (( segid "    " and resid 71   and name HG1 ))
   (  segid "    " and resid 30   and name HD% )
      3.200     1.200     1.200 peak   707 spectrum    1 weight  0.10000E+01 volume  0.20682E-02 ppm1      2.184 ppm2      7.305 CV     1
 ASSI {  709}
   (( segid "    " and resid 71   and name HG1 ))
   (  segid "    " and resid 35   and name HE% )
      3.300     1.400     1.400 peak   709 spectrum    1 weight  0.10000E+01 volume  0.73463E-03 ppm1      2.188 ppm2      6.911 CV     1
 OR {  709}
   (( segid "    " and resid 71   and name HG1 ))
   (( segid "    " and resid 35   and name HZ  ))
 ASSI {  710}
   (( segid "    " and resid 75   and name HG  ))
   (( segid "    " and resid 79   and name HD21))
      4.000     2.000     2.000 peak   710 spectrum    1 weight  0.10000E+01 volume  0.74743E-03 ppm1      1.690 ppm2      7.324 CV     1
 ASSI {  712}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 35   and name HE% )
      4.200     2.200     1.800 peak   712 spectrum    1 weight  0.10000E+01 volume  0.12664E-02 ppm1      1.317 ppm2      6.902 CV     1
 OR {  712}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 35   and name HZ  ))
 ASSI {  714}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 30   and name HD% )
      2.900     1.100     1.100 peak   714 spectrum    1 weight  0.10000E+01 volume  0.11324E-02 ppm1      1.319 ppm2      7.306 CV     1
 ASSI {  715}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 32   and name HN  ))
      4.300     2.300     1.700 peak   715 spectrum    1 weight  0.10000E+01 volume  0.40922E-03 ppm1      1.059 ppm2      8.054 CV     1
 ASSI {  716}
   (  segid "    " and resid 33   and name HD2%)
   (  segid "    " and resid 30   and name HD% )
      3.300     3.300     2.700 peak   716 spectrum    1 weight  0.10000E+01 volume  0.44251E-03 ppm1      1.059 ppm2      7.309 CV     1
 ASSI {  717}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 33   and name HN  ))
      3.600     1.600     1.600 peak   717 spectrum    1 weight  0.10000E+01 volume  0.87458E-03 ppm1      1.058 ppm2      7.205 CV     1
 ASSI {  718}
   (( segid "    " and resid 74   and name HG  ))
   (( segid "    " and resid 35   and name HZ  ))
      3.100     1.200     1.200 peak   718 spectrum    1 weight  0.10000E+01 volume  0.23926E-02 ppm1      0.977 ppm2      6.884 CV     1
 ASSI {  719}
   (  segid "    " and resid 14   and name HD2%)
   (  segid "    " and resid 35   and name HE% )
      3.100     1.200     1.200 peak   719 spectrum    1 weight  0.10000E+01 volume  0.15056E-02 ppm1      0.896 ppm2      6.914 CV     1
 OR {  719}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 35   and name HZ  ))
 ASSI {  720}
   (  segid "    " and resid 14   and name HD2%)
   (  segid "    " and resid 40   and name HE% )
      4.400     2.400     1.600 peak   720 spectrum    1 weight  0.10000E+01 volume  0.34148E-03 ppm1      0.895 ppm2      6.744 CV     1
 ASSI {  722}
   (  segid "    " and resid 26   and name HD2%)
   (  segid "    " and resid 40   and name HE% )
      3.700     1.700     1.700 peak   722 spectrum    1 weight  0.10000E+01 volume  0.59648E-03 ppm1      0.797 ppm2      6.743 CV     1
 ASSI {  723}
   (  segid "    " and resid 14   and name HD2%)
   (  segid "    " and resid 30   and name HD% )
      3.200     1.300     1.300 peak   723 spectrum    1 weight  0.10000E+01 volume  0.16781E-02 ppm1      0.892 ppm2      7.319 CV     1
 ASSI {  724}
   (  segid "    " and resid 14   and name HD2%)
   (  segid "    " and resid 30   and name HE% )
      2.800     1.000     1.000 peak   724 spectrum    1 weight  0.10000E+01 volume  0.22668E-02 ppm1      0.896 ppm2      7.212 CV     1
 ASSI {  725}
   (  segid "    " and resid 52   and name HD1%)
   (  segid "    " and resid 56   and name HD% )
      4.800     2.900     1.200 peak   725 spectrum    1 weight  0.10000E+01 volume  0.40002E-03 ppm1      0.868 ppm2      7.444 CV     1
 ASSI {  728}
   (  segid "    " and resid 82   and name HD1%)
   (  segid "    " and resid 56   and name HD% )
      3.500     1.500     1.500 peak   728 spectrum    1 weight  0.10000E+01 volume  0.62600E-03 ppm1      0.979 ppm2      7.443 CV     1
 ASSI {  729}
   (( segid "    " and resid 74   and name HG  ))
   (( segid "    " and resid 74   and name HN  ))
      4.600     2.700     1.400 peak   729 spectrum    1 weight  0.10000E+01 volume  0.64745E-03 ppm1      0.977 ppm2      7.704 CV     1
 ASSI {  730}
   (( segid "    " and resid 71   and name HG1 ))
   (( segid "    " and resid 71   and name HA  ))
      3.500     1.500     1.500 peak   730 spectrum    1 weight  0.10000E+01 volume  0.58505E-03 ppm1      2.183 ppm2      4.228 CV     1
 ASSI {  731}
   (( segid "    " and resid 71   and name HG1 ))
   (( segid "    " and resid 71   and name HD1 ))
      2.600     0.900     0.900 peak   731 spectrum    1 weight  0.10000E+01 volume  0.16052E-02 ppm1      2.184 ppm2      4.021 CV     1
 ASSI {  732}
   (( segid "    " and resid 71   and name HG1 ))
   (( segid "    " and resid 70   and name HA  ))
      5.300     3.500     0.700 peak   732 spectrum    1 weight  0.10000E+01 volume  0.36991E-03 ppm1      2.186 ppm2      4.949 CV     1
 ASSI {  733}
   (( segid "    " and resid 52   and name HG  ))
   (( segid "    " and resid 52   and name HA  ))
      3.500     1.600     1.600 peak   733 spectrum    1 weight  0.10000E+01 volume  0.91117E-03 ppm1      2.045 ppm2      4.312 CV     1
 ASSI {  736}
   (( segid "    " and resid 75   and name HG  ))
   (( segid "    " and resid 76   and name HA  ))
      4.100     2.100     1.900 peak   736 spectrum    1 weight  0.10000E+01 volume  0.27301E-03 ppm1      1.684 ppm2      4.478 CV     1
 ASSI {  741}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 70   and name HA  ))
      5.800     4.200     0.200 peak   741 spectrum    1 weight  0.10000E+01 volume  0.32836E-03 ppm1      1.319 ppm2      4.947 CV     1
 ASSI {  744}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 33   and name HA  ))
      3.800     1.800     1.800 peak   744 spectrum    1 weight  0.10000E+01 volume  0.58211E-03 ppm1      1.058 ppm2      4.325 CV     1
 ASSI {  745}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 79   and name HA  ))
      3.100     1.200     1.200 peak   745 spectrum    1 weight  0.10000E+01 volume  0.25333E-02 ppm1      0.980 ppm2      4.908 CV     1
 ASSI {  746}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 26   and name HA  ))
      3.700     1.700     1.700 peak   746 spectrum    1 weight  0.10000E+01 volume  0.13644E-02 ppm1      0.798 ppm2      4.366 CV     1
 ASSI {  749}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 49   and name HA  ))
      2.700     0.900     0.900 peak   749 spectrum    1 weight  0.10000E+01 volume  0.28592E-02 ppm1      0.862 ppm2      3.946 CV     1
 ASSI {  755}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 52   and name HA  ))
      3.900     1.900     1.900 peak   755 spectrum    1 weight  0.10000E+01 volume  0.16362E-02 ppm1      0.864 ppm2      4.311 CV     1
 ASSI {  758}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 11   and name HA  ))
      3.300     1.300     1.300 peak   758 spectrum    1 weight  0.10000E+01 volume  0.15935E-02 ppm1      0.896 ppm2      3.513 CV     1
 ASSI {  759}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 72   and name HA  ))
      3.300     1.400     1.400 peak   759 spectrum    1 weight  0.10000E+01 volume  0.15734E-02 ppm1      0.874 ppm2      3.608 CV     1
 ASSI {  760}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 11   and name HA  ))
      3.600     1.600     1.600 peak   760 spectrum    1 weight  0.10000E+01 volume  0.77907E-03 ppm1      0.800 ppm2      3.514 CV     1
 ASSI {  764}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 71   and name HD2 ))
      2.600     0.800     0.800 peak   764 spectrum    1 weight  0.10000E+01 volume  0.19454E-02 ppm1      1.325 ppm2      2.803 CV     1
 ASSI {  766}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 56   and name HB2 ))
      3.500     1.500     1.500 peak   766 spectrum    1 weight  0.10000E+01 volume  0.75375E-03 ppm1      0.982 ppm2      2.768 CV     1
 ASSI {  767}
   (( segid "    " and resid 71   and name HG1 ))
   (( segid "    " and resid 31   and name HA  ))
      4.400     2.400     1.600 peak   767 spectrum    1 weight  0.10000E+01 volume  0.10493E-02 ppm1      2.187 ppm2      3.295 CV     1
 ASSI {  769}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 71   and name HG1 ))
      1.900     0.400     0.400 peak   769 spectrum    1 weight  0.10000E+01 volume  0.59545E-02 ppm1      1.317 ppm2      2.187 CV     1
 ASSI {  770}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 71   and name HB2 ))
      2.600     0.900     0.900 peak   770 spectrum    1 weight  0.10000E+01 volume  0.16111E-02 ppm1      1.320 ppm2      2.012 CV     1
 ASSI {  773}
   (( segid "    " and resid 52   and name HG  ))
   (  segid "    " and resid 13   and name HB% )
      3.300     1.400     1.400 peak   773 spectrum    1 weight  0.10000E+01 volume  0.13577E-02 ppm1      2.043 ppm2      1.666 CV     1
 ASSI {  774}
   (( segid "    " and resid 52   and name HG  ))
   (( segid "    " and resid 52   and name HB2 ))
      2.800     1.000     1.000 peak   774 spectrum    1 weight  0.10000E+01 volume  0.15335E-02 ppm1      2.042 ppm2      1.442 CV     1
 ASSI {  775}
   (( segid "    " and resid 71   and name HG1 ))
   (( segid "    " and resid 71   and name HB2 ))
      3.300     1.300     1.300 peak   775 spectrum    1 weight  0.10000E+01 volume  0.18455E-02 ppm1      2.188 ppm2      2.003 CV     1
 ASSI {  779}
   (( segid "    " and resid 52   and name HG  ))
   (  segid "    " and resid 52   and name HD2%)
      2.400     0.700     0.700 peak   779 spectrum    1 weight  0.10000E+01 volume  0.48758E-02 ppm1      2.041 ppm2      1.035 CV     1
 ASSI {  782}
   (( segid "    " and resid 26   and name HG  ))
   (( segid "    " and resid 26   and name HB2 ))
      3.100     1.200     1.200 peak   782 spectrum    1 weight  0.10000E+01 volume  0.23369E-02 ppm1      1.579 ppm2      1.239 CV     1
 ASSI {  785}
   (( segid "    " and resid 74   and name HG  ))
   (( segid "    " and resid 74   and name HB1 ))
      2.800     1.000     1.000 peak   785 spectrum    1 weight  0.10000E+01 volume  0.30258E-02 ppm1      0.977 ppm2      2.427 CV     1
 ASSI {  786}
   (( segid "    " and resid 75   and name HG  ))
   (( segid "    " and resid 75   and name HB2 ))
      3.100     1.200     1.200 peak   786 spectrum    1 weight  0.10000E+01 volume  0.27105E-02 ppm1      1.692 ppm2      1.553 CV     1
 ASSI {  787}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 33   and name HG  ))
      2.400     0.700     0.700 peak   787 spectrum    1 weight  0.10000E+01 volume  0.69804E-02 ppm1      1.060 ppm2      1.775 CV     1
 OR {  787}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 33   and name HB1 ))
 ASSI {  789}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 75   and name HG  ))
      1.900     0.500     0.500 peak   789 spectrum    1 weight  0.10000E+01 volume  0.24009E-01 ppm1      0.872 ppm2      1.686 CV     1
 ASSI {  791}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 52   and name HB2 ))
      2.500     0.800     0.800 peak   791 spectrum    1 weight  0.10000E+01 volume  0.42536E-02 ppm1      0.862 ppm2      1.443 CV     1
 ASSI {  793}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 26   and name HG  ))
      2.200     0.600     0.600 peak   793 spectrum    1 weight  0.10000E+01 volume  0.10278E-01 ppm1      0.799 ppm2      1.576 CV     1
 ASSI {  794}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 26   and name HB1 ))
      2.700     0.900     0.900 peak   794 spectrum    1 weight  0.10000E+01 volume  0.57399E-02 ppm1      0.798 ppm2      1.446 CV     1
 ASSI {  795}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 26   and name HB2 ))
      2.800     1.000     1.000 peak   795 spectrum    1 weight  0.10000E+01 volume  0.27106E-02 ppm1      0.799 ppm2      1.228 CV     1
 ASSI {  796}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 14   and name HB1 ))
      2.500     0.800     0.800 peak   796 spectrum    1 weight  0.10000E+01 volume  0.43576E-02 ppm1      0.895 ppm2      1.986 CV     1
 ASSI {  797}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 14   and name HG  ))
      2.200     0.600     0.600 peak   797 spectrum    1 weight  0.10000E+01 volume  0.10418E-01 ppm1      0.895 ppm2      1.884 CV     1
 ASSI {  799}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 52   and name HG  ))
      2.000     0.500     0.500 peak   799 spectrum    1 weight  0.10000E+01 volume  0.13038E-01 ppm1      0.863 ppm2      2.043 CV     1
 ASSI {  800}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 14   and name HB1 ))
      3.000     1.200     1.200 peak   800 spectrum    1 weight  0.10000E+01 volume  0.15769E-02 ppm1      0.801 ppm2      1.990 CV     1
 ASSI {  802}
   (( segid "    " and resid 74   and name HG  ))
   (( segid "    " and resid 74   and name HB2 ))
      2.100     0.500     0.500 peak   802 spectrum    1 weight  0.10000E+01 volume  0.77667E-02 ppm1      0.976 ppm2      1.696 CV     1
 ASSI {  803}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 82   and name HB2 ))
      2.400     0.700     0.700 peak   803 spectrum    1 weight  0.10000E+01 volume  0.45685E-02 ppm1      0.979 ppm2      1.558 CV     1
 ASSI {  804}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 33   and name HB2 ))
      2.900     1.000     1.000 peak   804 spectrum    1 weight  0.10000E+01 volume  0.29198E-02 ppm1      1.063 ppm2      1.402 CV     1
 ASSI {  809}
   (( segid "    " and resid 33   and name HG  ))
   (  segid "    " and resid 33   and name HD2%)
      2.600     0.800     0.800 peak   809 spectrum    1 weight  0.10000E+01 volume  0.46099E-02 ppm1      1.777 ppm2      1.065 CV     1
 ASSI {  810}
   (( segid "    " and resid 33   and name HG  ))
   (  segid "    " and resid 33   and name HD1%)
      2.900     1.100     1.100 peak   810 spectrum    1 weight  0.10000E+01 volume  0.20339E-02 ppm1      1.787 ppm2      0.962 CV     1
 ASSI {  814}
   (  segid "    " and resid 75   and name HD2%)
   (  segid "    " and resid 31   and name HD1%)
      2.700     0.900     0.900 peak   814 spectrum    1 weight  0.10000E+01 volume  0.33790E-02 ppm1      0.873 ppm2      0.446 CV     1
 ASSI {  815}
   (( segid "    " and resid 74   and name HG  ))
   (  segid "    " and resid 45   and name HD2%)
      3.100     1.200     1.200 peak   815 spectrum    1 weight  0.10000E+01 volume  0.13904E-02 ppm1      0.977 ppm2      0.358 CV     1
 ASSI {  816}
   (( segid "    " and resid 74   and name HG  ))
   (  segid "    " and resid 45   and name HD1%)
      3.200     1.200     1.200 peak   816 spectrum    1 weight  0.10000E+01 volume  0.54519E-03 ppm1      0.980 ppm2      0.229 CV     1
 ASSI {  822}
   (( segid "    " and resid 71   and name HG1 ))
   (  segid "    " and resid 31   and name HD1%)
      5.600     3.900     0.400 peak   822 spectrum    1 weight  0.10000E+01 volume  0.42200E-03 ppm1      2.179 ppm2      0.455 CV     1
 ASSI {  825}
   (  segid "    " and resid 10   and name HD2%)
   (  segid "    " and resid 5    and name HD1%)
      4.000     2.000     2.000 peak   825 spectrum    1 weight  0.10000E+01 volume  0.90328E-03 ppm1      1.124 ppm2      0.617 CV     1
 ASSI {  826}
   (  segid "    " and resid 10   and name HD2%)
   (  segid "    " and resid 31   and name HD1%)
      2.600     0.800     0.800 peak   826 spectrum    1 weight  0.10000E+01 volume  0.37240E-02 ppm1      1.124 ppm2      0.452 CV     1
 ASSI {  829}
   (  segid "    " and resid 10   and name HD2%)
   (  segid "    " and resid 75   and name HD1%)
      2.500     0.800     0.800 peak   829 spectrum    1 weight  0.10000E+01 volume  0.53894E-02 ppm1      1.124 ppm2      0.786 CV     1
 ASSI {  832}
   (( segid "    " and resid 31   and name HG  ))
   (( segid "    " and resid 31   and name HB2 ))
      2.500     0.800     0.800 peak   832 spectrum    1 weight  0.10000E+01 volume  0.37427E-02 ppm1      1.191 ppm2      1.023 CV     1
 ASSI {  835}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 11   and name HG1 ))
      1.800     0.400     0.400 peak   835 spectrum    1 weight  0.10000E+01 volume  0.10133E-01 ppm1      1.151 ppm2      1.398 CV     1
 ASSI {  836}
   (( segid "    " and resid 60   and name HG12))
   (( segid "    " and resid 60   and name HG11))
      1.600     0.300     0.600 peak   836 spectrum    1 weight  0.10000E+01 volume  0.15419E-01 ppm1      1.108 ppm2      1.480 CV     1
 ASSI {  837}
   (( segid "    " and resid 31   and name HG  ))
   (( segid "    " and resid 31   and name HB1 ))
      2.500     0.800     0.800 peak   837 spectrum    1 weight  0.10000E+01 volume  0.32240E-02 ppm1      1.192 ppm2      1.630 CV     1
 ASSI {  838}
   (( segid "    " and resid 55   and name HG2 ))
   (( segid "    " and resid 55   and name HB2 ))
      3.000     1.100     1.100 peak   838 spectrum    1 weight  0.10000E+01 volume  0.31484E-02 ppm1      0.984 ppm2      1.611 CV     1
 ASSI {  839}
   (( segid "    " and resid 55   and name HG2 ))
   (( segid "    " and resid 55   and name HG1 ))
      1.700     0.400     0.500 peak   839 spectrum    1 weight  0.10000E+01 volume  0.14743E-01 ppm1      0.984 ppm2      1.356 CV     1
 ASSI {  840}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 10   and name HG  ))
      2.200     0.600     0.600 peak   840 spectrum    1 weight  0.10000E+01 volume  0.85394E-02 ppm1      1.126 ppm2      1.889 CV     1
 ASSI {  845}
   (( segid "    " and resid 5    and name HG  ))
   (  segid "    " and resid 75   and name HD1%)
      3.300     1.300     1.300 peak   845 spectrum    1 weight  0.10000E+01 volume  0.15362E-02 ppm1      1.560 ppm2      0.797 CV     1
 ASSI {  850}
   (( segid "    " and resid 38   and name HG12))
   (  segid "    " and resid 38   and name HG2%)
      2.600     0.800     0.800 peak   850 spectrum    1 weight  0.10000E+01 volume  0.34231E-02 ppm1      1.537 ppm2      1.059 CV     1
 ASSI {  853}
   (( segid "    " and resid 5    and name HG  ))
   (( segid "    " and resid 5    and name HB2 ))
      2.400     0.700     0.700 peak   853 spectrum    1 weight  0.10000E+01 volume  0.72293E-02 ppm1      1.561 ppm2      1.345 CV     1
 ASSI {  854}
   (( segid "    " and resid 38   and name HG12))
   (( segid "    " and resid 38   and name HG11))
      1.500     0.300     0.700 peak   854 spectrum    1 weight  0.10000E+01 volume  0.11550E-01 ppm1      1.542 ppm2      1.823 CV     1
 ASSI {  858}
   (( segid "    " and resid 4    and name HG  ))
   (( segid "    " and resid 4    and name HB2 ))
      2.400     0.700     0.700 peak   858 spectrum    1 weight  0.10000E+01 volume  0.73126E-02 ppm1      1.704 ppm2      1.485 CV     1
 ASSI {  865}
   (( segid "    " and resid 33   and name HG  ))
   (( segid "    " and resid 33   and name HB2 ))
      3.100     1.200     1.200 peak   865 spectrum    1 weight  0.10000E+01 volume  0.14271E-02 ppm1      1.779 ppm2      1.412 CV     1
 ASSI {  866}
   (( segid "    " and resid 38   and name HG11))
   (( segid "    " and resid 38   and name HB  ))
      2.400     0.700     0.700 peak   866 spectrum    1 weight  0.10000E+01 volume  0.25518E-02 ppm1      1.823 ppm2      2.455 CV     1
 ASSI {  868}
   (( segid "    " and resid 38   and name HG12))
   (( segid "    " and resid 38   and name HB  ))
      3.300     1.400     1.400 peak   868 spectrum    1 weight  0.10000E+01 volume  0.12152E-02 ppm1      1.538 ppm2      2.456 CV     1
 ASSI {  871}
   (( segid "    " and resid 4    and name HG  ))
   (( segid "    " and resid 82   and name HB1 ))
      5.700     4.000     0.300 peak   871 spectrum    1 weight  0.10000E+01 volume  0.30856E-03 ppm1      1.703 ppm2      1.997 CV     1
 ASSI {  873}
   (( segid "    " and resid 61   and name HG1 ))
   (( segid "    " and resid 61   and name HB1 ))
      2.300     0.700     0.700 peak   873 spectrum    1 weight  0.10000E+01 volume  0.61396E-02 ppm1      2.140 ppm2      2.543 CV     1
 OR {  873}
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 61   and name HB1 ))
 ASSI {  874}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HD2 ))
      2.800     1.000     1.000 peak   874 spectrum    1 weight  0.10000E+01 volume  0.26157E-02 ppm1      1.749 ppm2      3.264 CV     1
 OR {  874}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 67   and name HD1 ))
 OR {  874}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 67   and name HD2 ))
 OR {  874}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HD1 ))
 ASSI {  876}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 11   and name HD1 ))
      2.600     0.800     0.800 peak   876 spectrum    1 weight  0.10000E+01 volume  0.31397E-02 ppm1      1.395 ppm2      3.202 CV     1
 OR {  876}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 11   and name HD2 ))
 ASSI {  878}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 11   and name HD1 ))
      3.000     1.100     1.100 peak   878 spectrum    1 weight  0.10000E+01 volume  0.20008E-02 ppm1      1.149 ppm2      3.196 CV     1
 OR {  878}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 11   and name HD2 ))
 ASSI {  879}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 10   and name HB1 ))
      2.600     0.800     0.800 peak   879 spectrum    1 weight  0.10000E+01 volume  0.38512E-02 ppm1      1.125 ppm2      2.332 CV     1
 ASSI {  880}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 71   and name HB1 ))
      2.500     0.800     0.800 peak   880 spectrum    1 weight  0.10000E+01 volume  0.37452E-02 ppm1      1.124 ppm2      2.238 CV     1
 ASSI {  882}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 11   and name HB2 ))
      2.800     1.000     1.000 peak   882 spectrum    1 weight  0.10000E+01 volume  0.22531E-02 ppm1      1.148 ppm2      2.039 CV     1
 OR {  882}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI {  887}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 11   and name HA  ))
      3.400     1.500     1.500 peak   887 spectrum    1 weight  0.10000E+01 volume  0.14248E-02 ppm1      1.150 ppm2      3.516 CV     1
 ASSI {  889}
   (( segid "    " and resid 72   and name HG1 ))
   (( segid "    " and resid 72   and name HD1 ))
      3.100     1.200     1.200 peak   889 spectrum    1 weight  0.10000E+01 volume  0.17791E-02 ppm1      1.659 ppm2      3.493 CV     1
 ASSI {  892}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 11   and name HA  ))
      2.900     1.000     1.000 peak   892 spectrum    1 weight  0.10000E+01 volume  0.14956E-02 ppm1      1.398 ppm2      3.514 CV     1
 ASSI {  893}
   (( segid "    " and resid 72   and name HG1 ))
   (( segid "    " and resid 72   and name HA  ))
      3.200     1.300     1.300 peak   893 spectrum    1 weight  0.10000E+01 volume  0.16010E-02 ppm1      1.656 ppm2      3.606 CV     1
 ASSI {  894}
   (( segid "    " and resid 72   and name HG2 ))
   (( segid "    " and resid 72   and name HA  ))
      3.100     1.200     1.200 peak   894 spectrum    1 weight  0.10000E+01 volume  0.14208E-02 ppm1      1.506 ppm2      3.606 CV     1
 ASSI {  896}
   (( segid "    " and resid 61   and name HG1 ))
   (( segid "    " and resid 60   and name HA  ))
      4.600     2.600     1.400 peak   896 spectrum    1 weight  0.10000E+01 volume  0.12144E-02 ppm1      2.140 ppm2      4.653 CV     1
 OR {  896}
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 60   and name HA  ))
 ASSI {  897}
   (( segid "    " and resid 61   and name HG1 ))
   (( segid "    " and resid 61   and name HA  ))
      3.300     1.400     1.400 peak   897 spectrum    1 weight  0.10000E+01 volume  0.18084E-02 ppm1      2.139 ppm2      4.525 CV     1
 OR {  897}
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 61   and name HA  ))
 ASSI {  900}
   (( segid "    " and resid 4    and name HG  ))
   (( segid "    " and resid 4    and name HA  ))
      3.400     1.500     1.500 peak   900 spectrum    1 weight  0.10000E+01 volume  0.15293E-02 ppm1      1.707 ppm2      4.359 CV     1
 ASSI {  901}
   (( segid "    " and resid 43   and name HG  ))
   (( segid "    " and resid 43   and name HA  ))
      3.500     1.600     1.600 peak   901 spectrum    1 weight  0.10000E+01 volume  0.13068E-02 ppm1      1.737 ppm2      4.276 CV     1
 ASSI {  906}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 64   and name HA  ))
      4.000     2.000     2.000 peak   906 spectrum    1 weight  0.10000E+01 volume  0.69183E-03 ppm1      1.750 ppm2      3.817 CV     1
 OR {  906}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 64   and name HA  ))
 ASSI {  907}
   (( segid "    " and resid 38   and name HG11))
   (( segid "    " and resid 38   and name HA  ))
      3.900     1.900     1.900 peak   907 spectrum    1 weight  0.10000E+01 volume  0.63787E-03 ppm1      1.817 ppm2      4.661 CV     1
 ASSI {  909}
   (( segid "    " and resid 82   and name HG  ))
   (( segid "    " and resid 79   and name HA  ))
      3.700     1.700     1.700 peak   909 spectrum    1 weight  0.10000E+01 volume  0.54976E-03 ppm1      1.844 ppm2      4.906 CV     1
 ASSI {  910}
   (( segid "    " and resid 33   and name HG  ))
   (( segid "    " and resid 30   and name HA  ))
      3.500     1.500     1.500 peak   910 spectrum    1 weight  0.10000E+01 volume  0.10311E-02 ppm1      1.781 ppm2      4.745 CV     1
 ASSI {  912}
   (( segid "    " and resid 5    and name HG  ))
   (( segid "    " and resid 5    and name HA  ))
      3.700     1.700     1.700 peak   912 spectrum    1 weight  0.10000E+01 volume  0.11459E-02 ppm1      1.562 ppm2      4.526 CV     1
 ASSI {  914}
   (( segid "    " and resid 60   and name HG11))
   (( segid "    " and resid 60   and name HA  ))
      3.200     1.300     1.300 peak   914 spectrum    1 weight  0.10000E+01 volume  0.13367E-02 ppm1      1.481 ppm2      4.654 CV     1
 ASSI {  919}
   (( segid "    " and resid 60   and name HG12))
   (( segid "    " and resid 60   and name HA  ))
      2.700     0.900     0.900 peak   919 spectrum    1 weight  0.10000E+01 volume  0.17446E-02 ppm1      1.107 ppm2      4.658 CV     1
 ASSI {  920}
   (( segid "    " and resid 55   and name HG2 ))
   (( segid "    " and resid 55   and name HA  ))
      3.300     1.400     1.400 peak   920 spectrum    1 weight  0.10000E+01 volume  0.18827E-02 ppm1      0.983 ppm2      4.095 CV     1
 ASSI {  922}
   (  segid "    " and resid 10   and name HD2%)
   (  segid "    " and resid 30   and name HE% )
      2.900     1.000     1.000 peak   922 spectrum    1 weight  0.10000E+01 volume  0.25631E-02 ppm1      1.124 ppm2      7.212 CV     1
 ASSI {  923}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 35   and name HZ  ))
      4.200     2.200     1.800 peak   923 spectrum    1 weight  0.10000E+01 volume  0.47709E-03 ppm1      1.123 ppm2      6.896 CV     1
 OR {  923}
   (  segid "    " and resid 10   and name HD2%)
   (  segid "    " and resid 35   and name HE% )
 ASSI {  924}
   (( segid "    " and resid 31   and name HG  ))
   (( segid "    " and resid 31   and name HN  ))
      3.400     1.400     1.400 peak   924 spectrum    1 weight  0.10000E+01 volume  0.37141E-02 ppm1      1.193 ppm2      7.508 CV     1
 ASSI {  926}
   (( segid "    " and resid 38   and name HG11))
   (  segid "    " and resid 35   and name HD% )
      4.400     2.500     1.600 peak   926 spectrum    1 weight  0.10000E+01 volume  0.58200E-03 ppm1      1.826 ppm2      7.107 CV     1
 ASSI {  927}
   (( segid "    " and resid 38   and name HG11))
   (  segid "    " and resid 40   and name HD% )
      2.500     0.800     0.800 peak   927 spectrum    1 weight  0.10000E+01 volume  0.19596E-02 ppm1      1.823 ppm2      6.968 CV     1
 ASSI {  928}
   (( segid "    " and resid 33   and name HG  ))
   (( segid "    " and resid 33   and name HN  ))
      3.200     1.300     1.300 peak   928 spectrum    1 weight  0.10000E+01 volume  0.20441E-02 ppm1      1.779 ppm2      7.208 CV     1
 ASSI {  938}
   (( segid "    " and resid 4    and name HG  ))
   (( segid "    " and resid 4    and name HN  ))
      2.300     0.600     0.600 peak   938 spectrum    1 weight  0.10000E+01 volume  0.35205E-02 ppm1      1.709 ppm2      8.143 CV     1
 ASSI {  940}
   (( segid "    " and resid 60   and name HG11))
   (( segid "    " and resid 60   and name HN  ))
      3.100     1.200     1.200 peak   940 spectrum    1 weight  0.10000E+01 volume  0.10779E-02 ppm1      1.480 ppm2      8.173 CV     1
 ASSI {  941}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 45   and name HN  ))
      2.600     0.800     0.800 peak   941 spectrum    1 weight  0.10000E+01 volume  0.20268E-02 ppm1      1.351 ppm2      8.446 CV     1
 ASSI {  942}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 10   and name HN  ))
      4.700     2.800     1.300 peak   942 spectrum    1 weight  0.10000E+01 volume  0.75473E-03 ppm1      1.124 ppm2      8.075 CV     1
 ASSI {  943}
   (( segid "    " and resid 60   and name HG12))
   (( segid "    " and resid 60   and name HN  ))
      3.900     1.900     1.900 peak   943 spectrum    1 weight  0.10000E+01 volume  0.11087E-02 ppm1      1.112 ppm2      8.172 CV     1
 ASSI {  944}
   (( segid "    " and resid 55   and name HG2 ))
   (( segid "    " and resid 55   and name HN  ))
      4.300     2.300     1.700 peak   944 spectrum    1 weight  0.10000E+01 volume  0.89467E-03 ppm1      0.981 ppm2      8.089 CV     1
 ASSI {  948}
   (( segid "    " and resid 5    and name HG  ))
   (( segid "    " and resid 5    and name HN  ))
      2.800     1.000     1.000 peak   948 spectrum    1 weight  0.10000E+01 volume  0.14297E-02 ppm1      1.561 ppm2      9.419 CV     1
 ASSI {  949}
   (( segid "    " and resid 4    and name HG  ))
   (( segid "    " and resid 5    and name HN  ))
      4.700     2.700     1.300 peak   949 spectrum    1 weight  0.10000E+01 volume  0.57089E-03 ppm1      1.711 ppm2      9.418 CV     1
 ASSI {  950}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 11   and name HN  ))
      4.300     2.300     1.700 peak   950 spectrum    1 weight  0.10000E+01 volume  0.84501E-03 ppm1      1.124 ppm2      8.836 CV     1
 ASSI {  954}
   (( segid "    " and resid 51   and name HG2 ))
   (( segid "    " and resid 51   and name HN  ))
      3.200     1.200     1.200 peak   954 spectrum    1 weight  0.10000E+01 volume  0.10958E-02 ppm1      1.731 ppm2      8.114 CV     1
 ASSI {  956}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 51   and name HN  ))
      3.000     1.100     1.100 peak   956 spectrum    1 weight  0.10000E+01 volume  0.18757E-02 ppm1      1.973 ppm2      8.113 CV     1
 ASSI {  958}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 47   and name HN  ))
      2.700     0.900     0.900 peak   958 spectrum    1 weight  0.10000E+01 volume  0.29709E-02 ppm1      2.341 ppm2      8.502 CV     1
 ASSI {  959}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 48   and name HN  ))
      3.500     1.500     1.500 peak   959 spectrum    1 weight  0.10000E+01 volume  0.64767E-03 ppm1      2.346 ppm2      8.321 CV     1
 ASSI {  963}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HN  ))
      2.700     0.900     0.900 peak   963 spectrum    1 weight  0.10000E+01 volume  0.32457E-02 ppm1      2.205 ppm2      8.501 CV     1
 ASSI {  971}
   (( segid "    " and resid 34   and name HG1 ))
   (( segid "    " and resid 34   and name HA  ))
      3.800     1.800     1.800 peak   971 spectrum    1 weight  0.10000E+01 volume  0.62279E-03 ppm1      1.943 ppm2      4.736 CV     1
 ASSI {  972}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 34   and name HA  ))
      3.000     1.100     1.100 peak   972 spectrum    1 weight  0.10000E+01 volume  0.11501E-02 ppm1      1.627 ppm2      4.738 CV     1
 ASSI {  973}
   (( segid "    " and resid 78   and name HG12))
   (( segid "    " and resid 78   and name HA  ))
      2.900     1.000     1.000 peak   973 spectrum    1 weight  0.10000E+01 volume  0.27228E-02 ppm1      1.284 ppm2      3.740 CV     1
 ASSI {  977}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 34   and name HD2 ))
      2.800     1.000     1.000 peak   977 spectrum    1 weight  0.10000E+01 volume  0.16045E-02 ppm1      1.620 ppm2      3.348 CV     1
 ASSI {  985}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 51   and name HA  ))
      3.600     1.600     1.600 peak   985 spectrum    1 weight  0.10000E+01 volume  0.12327E-02 ppm1      1.975 ppm2      4.238 CV     1
 ASSI {  991}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HA  ))
      2.600     0.900     0.900 peak   991 spectrum    1 weight  0.10000E+01 volume  0.32130E-02 ppm1      2.202 ppm2      4.234 CV     1
 ASSI {  993}
   (( segid "    " and resid 78   and name HG12))
   (( segid "    " and resid 78   and name HG11))
      1.600     0.300     0.600 peak   993 spectrum    1 weight  0.10000E+01 volume  0.12395E-01 ppm1      1.285 ppm2      1.724 CV     1
 ASSI {  994}
   (( segid "    " and resid 78   and name HG12))
   (( segid "    " and resid 78   and name HB  ))
      2.600     0.900     0.900 peak   994 spectrum    1 weight  0.10000E+01 volume  0.22743E-02 ppm1      1.284 ppm2      1.931 CV     1
 ASSI {  995}
   (( segid "    " and resid 51   and name HG2 ))
   (( segid "    " and resid 51   and name HB1 ))
      2.600     0.900     0.900 peak   995 spectrum    1 weight  0.10000E+01 volume  0.23170E-02 ppm1      1.734 ppm2      2.190 CV     1
 ASSI {  996}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 34   and name HB1 ))
      2.600     0.900     0.900 peak   996 spectrum    1 weight  0.10000E+01 volume  0.20026E-02 ppm1      1.622 ppm2      2.173 CV     1
 ASSI {  997}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 51   and name HB1 ))
      2.800     1.000     1.000 peak   997 spectrum    1 weight  0.10000E+01 volume  0.54269E-02 ppm1      1.964 ppm2      2.189 CV     1
 ASSI {  998}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 51   and name HG2 ))
      1.800     0.400     0.400 peak   998 spectrum    1 weight  0.10000E+01 volume  0.87044E-02 ppm1      1.974 ppm2      1.739 CV     1
 ASSI {  999}
   (( segid "    " and resid 12   and name HG1 ))
   (( segid "    " and resid 12   and name HG2 ))
      1.700     0.400     0.500 peak   999 spectrum    1 weight  0.10000E+01 volume  0.13815E-01 ppm1      1.917 ppm2      1.687 CV     1
 ASSI { 1006}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 34   and name HG1 ))
      1.800     0.400     0.400 peak  1006 spectrum    1 weight  0.10000E+01 volume  0.76534E-02 ppm1      1.621 ppm2      1.941 CV     1
 ASSI { 1009}
   (( segid "    " and resid 78   and name HG11))
   (( segid "    " and resid 78   and name HB  ))
      2.400     0.700     0.700 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.33831E-02 ppm1      1.727 ppm2      1.931 CV     1
 ASSI { 1012}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 47   and name HB2 ))
      1.700     0.400     0.500 peak  1012 spectrum    1 weight  0.10000E+01 volume  0.16869E-01 ppm1      2.341 ppm2      2.203 CV     1
 ASSI { 1016}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HG1 ))
      2.800     1.000     1.000 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.37759E-02 ppm1      2.204 ppm2      2.607 CV     1
 ASSI { 1019}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 36   and name HG1 ))
      2.200     0.600     0.600 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.11757E-01 ppm1      2.132 ppm2      2.494 CV     1
 OR { 1019}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 36   and name HG2 ))
 ASSI { 1020}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HG1 ))
      2.400     0.700     0.700 peak  1020 spectrum    1 weight  0.10000E+01 volume  0.39485E-02 ppm1      2.356 ppm2      2.762 CV     1
 ASSI { 1021}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 53   and name HB2 ))
      1.900     0.400     0.400 peak  1021 spectrum    1 weight  0.10000E+01 volume  0.83031E-02 ppm1      2.502 ppm2      2.351 CV     1
 ASSI { 1022}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 53   and name HG1 ))
      2.800     1.000     1.000 peak  1022 spectrum    1 weight  0.10000E+01 volume  0.48004E-02 ppm1      2.504 ppm2      2.760 CV     1
 ASSI { 1026}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 72   and name HB2 ))
      1.900     0.400     0.400 peak  1026 spectrum    1 weight  0.10000E+01 volume  0.78985E-02 ppm1      1.864 ppm2      1.614 CV     1
 ASSI { 1027}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 31   and name HB2 ))
      4.500     2.500     1.500 peak  1027 spectrum    1 weight  0.10000E+01 volume  0.12513E-02 ppm1      1.866 ppm2      1.029 CV     1
 ASSI { 1031}
   (( segid "    " and resid 73   and name HB1 ))
   (  segid "    " and resid 68   and name HG1%)
      3.000     1.200     1.200 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.97635E-03 ppm1      2.469 ppm2      1.127 CV     1
 ASSI { 1032}
   (( segid "    " and resid 73   and name HB2 ))
   (  segid "    " and resid 68   and name HG1%)
      2.900     1.100     1.100 peak  1032 spectrum    1 weight  0.10000E+01 volume  0.22173E-02 ppm1      2.275 ppm2      1.130 CV     1
 ASSI { 1035}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 34   and name HB2 ))
      1.900     0.400     0.400 peak  1035 spectrum    1 weight  0.10000E+01 volume  0.57802E-02 ppm1      2.176 ppm2      1.854 CV     1
 ASSI { 1037}
   (( segid "    " and resid 73   and name HB1 ))
   (( segid "    " and resid 73   and name HG1 ))
      2.800     1.000     1.000 peak  1037 spectrum    1 weight  0.10000E+01 volume  0.28877E-02 ppm1      2.471 ppm2      2.641 CV     1
 ASSI { 1041}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 84   and name HG2 ))
      3.000     1.100     1.100 peak  1041 spectrum    1 weight  0.10000E+01 volume  0.25433E-02 ppm1      2.127 ppm2      2.468 CV     1
 ASSI { 1042}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HG1 ))
      2.500     0.800     0.800 peak  1042 spectrum    1 weight  0.10000E+01 volume  0.74275E-02 ppm1      2.072 ppm2      2.409 CV     1
 OR { 1042}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HG2 ))
 ASSI { 1043}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HG2 ))
      2.500     0.800     0.800 peak  1043 spectrum    1 weight  0.10000E+01 volume  0.63362E-02 ppm1      2.142 ppm2      2.394 CV     1
 ASSI { 1045}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HB1 ))
      1.700     0.400     0.500 peak  1045 spectrum    1 weight  0.10000E+01 volume  0.20020E-01 ppm1      2.072 ppm2      2.233 CV     1
 ASSI { 1046}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 51   and name HB1 ))
      1.800     0.400     0.400 peak  1046 spectrum    1 weight  0.10000E+01 volume  0.97042E-02 ppm1      2.038 ppm2      2.195 CV     1
 ASSI { 1048}
   (( segid "    " and resid 73   and name HB1 ))
   (( segid "    " and resid 73   and name HB2 ))
      1.800     0.400     0.400 peak  1048 spectrum    1 weight  0.10000E+01 volume  0.74770E-02 ppm1      2.471 ppm2      2.276 CV     1
 ASSI { 1052}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HD2 ))
      3.100     1.200     1.200 peak  1052 spectrum    1 weight  0.10000E+01 volume  0.14136E-02 ppm1      2.049 ppm2      3.198 CV     1
 OR { 1052}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HD2 ))
 OR { 1052}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HD1 ))
 OR { 1052}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HD1 ))
 ASSI { 1053}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HA  ))
      3.200     1.200     1.200 peak  1053 spectrum    1 weight  0.10000E+01 volume  0.13654E-02 ppm1      1.603 ppm2      3.606 CV     1
 ASSI { 1054}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HD1 ))
      4.200     2.200     1.800 peak  1054 spectrum    1 weight  0.10000E+01 volume  0.73066E-03 ppm1      1.601 ppm2      3.490 CV     1
 ASSI { 1056}
   (( segid "    " and resid 73   and name HB1 ))
   (( segid "    " and resid 73   and name HA  ))
      2.900     1.000     1.000 peak  1056 spectrum    1 weight  0.10000E+01 volume  0.16167E-02 ppm1      2.469 ppm2      4.236 CV     1
 ASSI { 1057}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 51   and name HA  ))
      2.900     1.000     1.000 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.20217E-02 ppm1      2.194 ppm2      4.236 CV     1
 ASSI { 1063}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 9    and name HA  ))
      3.100     1.200     1.200 peak  1063 spectrum    1 weight  0.10000E+01 volume  0.18755E-02 ppm1      2.024 ppm2      4.565 CV     1
 OR { 1063}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 9    and name HA  ))
 ASSI { 1068}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HA  ))
      3.700     1.700     1.700 peak  1068 spectrum    1 weight  0.10000E+01 volume  0.74661E-03 ppm1      1.859 ppm2      4.736 CV     1
 ASSI { 1070}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 51   and name HD1 ))
      3.700     1.700     1.700 peak  1070 spectrum    1 weight  0.10000E+01 volume  0.53520E-03 ppm1      2.190 ppm2      3.432 CV     1
 ASSI { 1077}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 51   and name HN  ))
      3.100     1.200     1.200 peak  1077 spectrum    1 weight  0.10000E+01 volume  0.18598E-02 ppm1      2.036 ppm2      8.107 CV     1
 ASSI { 1078}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 12   and name HN  ))
      2.400     0.700     0.700 peak  1078 spectrum    1 weight  0.10000E+01 volume  0.71966E-02 ppm1      2.026 ppm2      7.977 CV     1
 OR { 1078}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 12   and name HN  ))
 ASSI { 1079}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 51   and name HN  ))
      2.900     1.000     1.000 peak  1079 spectrum    1 weight  0.10000E+01 volume  0.27967E-02 ppm1      2.196 ppm2      8.116 CV     1
 ASSI { 1080}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 16   and name HN  ))
      2.800     0.900     0.900 peak  1080 spectrum    1 weight  0.10000E+01 volume  0.25515E-02 ppm1      2.257 ppm2      8.224 CV     1
 ASSI { 1081}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HN  ))
      2.700     0.900     0.900 peak  1081 spectrum    1 weight  0.10000E+01 volume  0.28553E-02 ppm1      2.143 ppm2      8.221 CV     1
 ASSI { 1084}
   (( segid "    " and resid 73   and name HB1 ))
   (( segid "    " and resid 74   and name HN  ))
      4.200     2.200     1.800 peak  1084 spectrum    1 weight  0.10000E+01 volume  0.70359E-03 ppm1      2.465 ppm2      7.712 CV     1
 ASSI { 1086}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 70   and name HN  ))
      3.000     1.100     1.100 peak  1086 spectrum    1 weight  0.10000E+01 volume  0.13637E-02 ppm1      2.276 ppm2      7.476 CV     1
 ASSI { 1089}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 52   and name HN  ))
      3.600     1.600     1.600 peak  1089 spectrum    1 weight  0.10000E+01 volume  0.12862E-02 ppm1      2.196 ppm2      8.418 CV     1
 ASSI { 1092}
   (( segid "    " and resid 20   and name HB1 ))
   (( segid "    " and resid 20   and name HN  ))
      3.200     1.200     1.200 peak  1092 spectrum    1 weight  0.10000E+01 volume  0.21119E-02 ppm1      2.234 ppm2      8.476 CV     1
 ASSI { 1095}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HN  ))
      2.900     1.000     1.000 peak  1095 spectrum    1 weight  0.10000E+01 volume  0.13815E-02 ppm1      1.598 ppm2      9.007 CV     1
 ASSI { 1099}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 55   and name HG1 ))
      2.800     1.000     1.000 peak  1099 spectrum    1 weight  0.10000E+01 volume  0.39710E-02 ppm1      1.897 ppm2      1.359 CV     1
 ASSI { 1100}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 55   and name HG2 ))
      2.700     0.900     0.900 peak  1100 spectrum    1 weight  0.10000E+01 volume  0.21516E-02 ppm1      1.896 ppm2      0.991 CV     1
 ASSI { 1101}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HG1 ))
      2.500     0.800     0.800 peak  1101 spectrum    1 weight  0.10000E+01 volume  0.33912E-02 ppm1      1.618 ppm2      1.359 CV     1
 ASSI { 1104}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HB1 ))
      1.800     0.400     0.400 peak  1104 spectrum    1 weight  0.10000E+01 volume  0.85089E-02 ppm1      1.618 ppm2      1.896 CV     1
 ASSI { 1105}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HB1 ))
      1.700     0.300     0.500 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.16770E-01 ppm1      1.859 ppm2      2.078 CV     1
 ASSI { 1108}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HG2 ))
      2.300     0.700     0.700 peak  1108 spectrum    1 weight  0.10000E+01 volume  0.86075E-02 ppm1      1.858 ppm2      1.752 CV     1
 OR { 1108}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HG1 ))
 ASSI { 1111}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 67   and name HG1 ))
      2.400     0.700     0.700 peak  1111 spectrum    1 weight  0.10000E+01 volume  0.73981E-02 ppm1      2.078 ppm2      1.752 CV     1
 OR { 1111}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 67   and name HG2 ))
 ASSI { 1113}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 67   and name HD1 ))
      3.300     1.300     1.300 peak  1113 spectrum    1 weight  0.10000E+01 volume  0.17800E-02 ppm1      2.080 ppm2      3.266 CV     1
 OR { 1113}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 67   and name HD2 ))
 ASSI { 1114}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HD2 ))
      3.200     1.300     1.300 peak  1114 spectrum    1 weight  0.10000E+01 volume  0.15433E-02 ppm1      1.861 ppm2      3.262 CV     1
 OR { 1114}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HD1 ))
 ASSI { 1115}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 55   and name HD2 ))
      3.400     1.500     1.500 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.12359E-02 ppm1      1.895 ppm2      3.020 CV     1
 ASSI { 1116}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HD2 ))
      3.100     1.200     1.200 peak  1116 spectrum    1 weight  0.10000E+01 volume  0.14450E-02 ppm1      1.616 ppm2      3.024 CV     1
 ASSI { 1118}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 52   and name HA  ))
      2.900     1.000     1.000 peak  1118 spectrum    1 weight  0.10000E+01 volume  0.10541E-02 ppm1      1.897 ppm2      4.311 CV     1
 ASSI { 1120}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HA  ))
      3.000     1.100     1.100 peak  1120 spectrum    1 weight  0.10000E+01 volume  0.23343E-02 ppm1      1.856 ppm2      4.621 CV     1
 ASSI { 1121}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HA  ))
      2.700     0.900     0.900 peak  1121 spectrum    1 weight  0.10000E+01 volume  0.29195E-02 ppm1      1.616 ppm2      4.095 CV     1
 ASSI { 1122}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 67   and name HA  ))
      2.700     0.900     0.900 peak  1122 spectrum    1 weight  0.10000E+01 volume  0.37498E-02 ppm1      2.081 ppm2      4.620 CV     1
 ASSI { 1125}
   (( segid "    " and resid 55   and name HB1 ))
   (  segid "    " and resid 56   and name HD% )
      3.200     1.200     1.200 peak  1125 spectrum    1 weight  0.10000E+01 volume  0.73403E-03 ppm1      1.895 ppm2      7.438 CV     1
 ASSI { 1126}
   (( segid "    " and resid 55   and name HB2 ))
   (  segid "    " and resid 56   and name HD% )
      4.300     2.300     1.700 peak  1126 spectrum    1 weight  0.10000E+01 volume  0.83973E-03 ppm1      1.617 ppm2      7.436 CV     1
 ASSI { 1127}
   (( segid "    " and resid 11   and name HB2 ))
   (  segid "    " and resid 30   and name HE% )
      3.200     1.300     1.300 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.12035E-02 ppm1      2.039 ppm2      7.210 CV     1
 OR { 1127}
   (( segid "    " and resid 11   and name HB1 ))
   (  segid "    " and resid 30   and name HE% )
 ASSI { 1129}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HN  ))
      2.500     0.800     0.800 peak  1129 spectrum    1 weight  0.10000E+01 volume  0.36373E-02 ppm1      1.615 ppm2      8.092 CV     1
 ASSI { 1130}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 55   and name HN  ))
      2.500     0.800     0.800 peak  1130 spectrum    1 weight  0.10000E+01 volume  0.45502E-02 ppm1      1.897 ppm2      8.086 CV     1
 ASSI { 1131}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 72   and name HN  ))
      4.200     2.200     1.800 peak  1131 spectrum    1 weight  0.10000E+01 volume  0.76404E-03 ppm1      2.251 ppm2      9.001 CV     1
 ASSI { 1133}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 63   and name HN  ))
      3.500     1.500     1.500 peak  1133 spectrum    1 weight  0.10000E+01 volume  0.10602E-02 ppm1      2.542 ppm2      8.629 CV     1
 ASSI { 1134}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 15   and name HN  ))
      2.300     0.700     0.700 peak  1134 spectrum    1 weight  0.10000E+01 volume  0.65420E-02 ppm1      2.273 ppm2      8.467 CV     1
 ASSI { 1140}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 47   and name HN  ))
      4.700     2.800     1.300 peak  1140 spectrum    1 weight  0.10000E+01 volume  0.43515E-03 ppm1      2.848 ppm2      8.501 CV     1
 ASSI { 1141}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 47   and name HN  ))
      5.300     3.500     0.700 peak  1141 spectrum    1 weight  0.10000E+01 volume  0.39656E-03 ppm1      2.755 ppm2      8.497 CV     1
 ASSI { 1144}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 64   and name HN  ))
      4.500     2.500     1.500 peak  1144 spectrum    1 weight  0.10000E+01 volume  0.86075E-03 ppm1      2.540 ppm2      7.400 CV     1
 ASSI { 1145}
   (( segid "    " and resid 71   and name HB1 ))
   (  segid "    " and resid 30   and name HD% )
      3.400     1.400     1.400 peak  1145 spectrum    1 weight  0.10000E+01 volume  0.10261E-02 ppm1      2.255 ppm2      7.312 CV     1
 ASSI { 1147}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 35   and name HZ  ))
      4.400     2.400     1.600 peak  1147 spectrum    1 weight  0.10000E+01 volume  0.54938E-03 ppm1      2.249 ppm2      6.887 CV     1
 ASSI { 1148}
   (( segid "    " and resid 64   and name HB  ))
   (( segid "    " and resid 64   and name HN  ))
      2.300     0.700     0.700 peak  1148 spectrum    1 weight  0.10000E+01 volume  0.62436E-02 ppm1      2.213 ppm2      7.397 CV     1
 ASSI { 1154}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 61   and name HD2 ))
      3.200     1.300     1.300 peak  1154 spectrum    1 weight  0.10000E+01 volume  0.13335E-02 ppm1      2.057 ppm2      3.571 CV     1
 ASSI { 1155}
   (( segid "    " and resid 64   and name HB  ))
   (( segid "    " and resid 61   and name HD2 ))
      3.600     1.600     1.600 peak  1155 spectrum    1 weight  0.10000E+01 volume  0.10389E-02 ppm1      2.215 ppm2      3.569 CV     1
 ASSI { 1156}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 61   and name HD1 ))
      4.100     2.100     1.900 peak  1156 spectrum    1 weight  0.10000E+01 volume  0.12350E-02 ppm1      2.052 ppm2      4.013 CV     1
 ASSI { 1158}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 61   and name HA  ))
      3.100     1.200     1.200 peak  1158 spectrum    1 weight  0.10000E+01 volume  0.27508E-02 ppm1      2.058 ppm2      4.527 CV     1
 ASSI { 1161}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 61   and name HD2 ))
      4.100     2.100     1.900 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.11996E-02 ppm1      2.543 ppm2      3.571 CV     1
 ASSI { 1162}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 61   and name HA  ))
      2.200     0.600     0.600 peak  1162 spectrum    1 weight  0.10000E+01 volume  0.67168E-02 ppm1      2.542 ppm2      4.531 CV     1
 ASSI { 1167}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 46   and name HG1 ))
      2.500     0.800     0.800 peak  1167 spectrum    1 weight  0.10000E+01 volume  0.53426E-02 ppm1      2.321 ppm2      2.844 CV     1
 OR { 1167}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 46   and name HG1 ))
 OR { 1167}
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 46   and name HG1 ))
 OR { 1167}
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 46   and name HG1 ))
 ASSI { 1168}
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 46   and name HG2 ))
      2.500     0.800     0.800 peak  1168 spectrum    1 weight  0.10000E+01 volume  0.44478E-02 ppm1      2.323 ppm2      2.750 CV     1
 OR { 1168}
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 46   and name HG2 ))
 OR { 1168}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 46   and name HG2 ))
 OR { 1168}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 46   and name HG2 ))
 ASSI { 1171}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 61   and name HB1 ))
      1.600     0.300     0.600 peak  1171 spectrum    1 weight  0.10000E+01 volume  0.15691E-01 ppm1      2.059 ppm2      2.540 CV     1
 ASSI { 1172}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 71   and name HB1 ))
      1.800     0.400     0.400 peak  1172 spectrum    1 weight  0.10000E+01 volume  0.61565E-02 ppm1      2.015 ppm2      2.248 CV     1
 ASSI { 1173}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 46   and name HB2 ))
      2.400     0.700     0.700 peak  1173 spectrum    1 weight  0.10000E+01 volume  0.65328E-02 ppm1      2.845 ppm2      2.323 CV     1
 OR { 1173}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 46   and name HB1 ))
 ASSI { 1174}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 46   and name HB1 ))
      2.300     0.600     0.600 peak  1174 spectrum    1 weight  0.10000E+01 volume  0.82350E-02 ppm1      2.755 ppm2      2.322 CV     1
 OR { 1174}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 46   and name HB2 ))
 ASSI { 1178}
   (( segid "    " and resid 61   and name HB1 ))
   (  segid "    " and resid 64   and name HG2%)
      4.400     2.500     1.600 peak  1178 spectrum    1 weight  0.10000E+01 volume  0.16096E-02 ppm1      2.543 ppm2      1.023 CV     1
 ASSI { 1181}
   (( segid "    " and resid 15   and name HB  ))
   (  segid "    " and resid 15   and name HG2%)
      2.300     0.700     0.700 peak  1181 spectrum    1 weight  0.10000E+01 volume  0.71100E-02 ppm1      2.272 ppm2      1.113 CV     1
 ASSI { 1184}
   (( segid "    " and resid 71   and name HB2 ))
   (  segid "    " and resid 10   and name HD2%)
      3.700     1.700     1.700 peak  1184 spectrum    1 weight  0.10000E+01 volume  0.93872E-03 ppm1      2.009 ppm2      1.125 CV     1
 ASSI { 1186}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 71   and name HG2 ))
      2.900     1.000     1.000 peak  1186 spectrum    1 weight  0.10000E+01 volume  0.23668E-02 ppm1      2.250 ppm2      1.323 CV     1
 ASSI { 1189}
   (( segid "    " and resid 46   and name HG1 ))
   (  segid "    " and resid 43   and name HD2%)
      4.300     2.300     1.700 peak  1189 spectrum    1 weight  0.10000E+01 volume  0.40171E-03 ppm1      2.844 ppm2      1.059 CV     1
 ASSI { 1193}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 45   and name HB1 ))
      6.000     4.800     0.000 peak  1193 spectrum    1 weight  0.10000E+01 volume  0.21637E-03 ppm1      2.756 ppm2      1.644 CV     1
 ASSI { 1194}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 45   and name HB1 ))
      5.800     4.200     0.200 peak  1194 spectrum    1 weight  0.10000E+01 volume  0.17853E-03 ppm1      2.844 ppm2      1.638 CV     1
 ASSI { 1201}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 64   and name HB  ))
      4.200     2.200     1.800 peak  1201 spectrum    1 weight  0.10000E+01 volume  0.84539E-03 ppm1      2.751 ppm2      2.187 CV     1
 ASSI { 1202}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 66   and name HA1 ))
      4.700     2.700     1.300 peak  1202 spectrum    1 weight  0.10000E+01 volume  0.16663E-03 ppm1      2.841 ppm2      4.127 CV     1
 ASSI { 1203}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 66   and name HA1 ))
      5.100     3.200     0.900 peak  1203 spectrum    1 weight  0.10000E+01 volume  0.15146E-03 ppm1      2.755 ppm2      4.121 CV     1
 ASSI { 1207}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 68   and name HN  ))
      3.300     1.400     1.400 peak  1207 spectrum    1 weight  0.10000E+01 volume  0.21382E-02 ppm1      2.408 ppm2      7.309 CV     1
 ASSI { 1208}
   (( segid "    " and resid 68   and name HB  ))
   (  segid "    " and resid 35   and name HE% )
      3.400     1.500     1.500 peak  1208 spectrum    1 weight  0.10000E+01 volume  0.55564E-03 ppm1      2.407 ppm2      6.917 CV     1
 ASSI { 1210}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 74   and name HB2 ))
      3.400     1.400     1.400 peak  1210 spectrum    1 weight  0.10000E+01 volume  0.48393E-03 ppm1      2.410 ppm2      1.711 CV     1
 ASSI { 1211}
   (( segid "    " and resid 68   and name HB  ))
   (  segid "    " and resid 68   and name HG2%)
      2.200     0.600     0.600 peak  1211 spectrum    1 weight  0.10000E+01 volume  0.54938E-02 ppm1      2.408 ppm2      1.210 CV     1
 ASSI { 1212}
   (( segid "    " and resid 68   and name HB  ))
   (  segid "    " and resid 68   and name HG1%)
      2.200     0.600     0.600 peak  1212 spectrum    1 weight  0.10000E+01 volume  0.69733E-02 ppm1      2.408 ppm2      1.131 CV     1
 ASSI { 1213}
   (( segid "    " and resid 68   and name HB  ))
   (  segid "    " and resid 45   and name HD2%)
      4.700     2.800     1.300 peak  1213 spectrum    1 weight  0.10000E+01 volume  0.36483E-03 ppm1      2.406 ppm2      0.355 CV     1
 ASSI { 1214}
   (( segid "    " and resid 68   and name HB  ))
   (  segid "    " and resid 45   and name HD1%)
      4.700     2.800     1.300 peak  1214 spectrum    1 weight  0.10000E+01 volume  0.45736E-03 ppm1      2.406 ppm2      0.235 CV     1
 ASSI { 1215}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 74   and name HN  ))
      3.600     1.600     1.600 peak  1215 spectrum    1 weight  0.10000E+01 volume  0.45046E-03 ppm1      2.410 ppm2      7.709 CV     1
 ASSI { 1217}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 53   and name HN  ))
      3.700     1.700     1.700 peak  1217 spectrum    1 weight  0.10000E+01 volume  0.17456E-02 ppm1      2.316 ppm2      8.973 CV     1
 ASSI { 1220}
   (( segid "    " and resid 47   and name HG2 ))
   (( segid "    " and resid 47   and name HN  ))
      4.300     2.300     1.700 peak  1220 spectrum    1 weight  0.10000E+01 volume  0.15177E-02 ppm1      2.470 ppm2      8.501 CV     1
 ASSI { 1221}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 59   and name HN  ))
      3.300     1.400     1.400 peak  1221 spectrum    1 weight  0.10000E+01 volume  0.49794E-02 ppm1      2.135 ppm2      8.483 CV     1
 ASSI { 1225}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 54   and name HN  ))
      5.100     3.200     0.900 peak  1225 spectrum    1 weight  0.10000E+01 volume  0.50230E-03 ppm1      2.327 ppm2      8.033 CV     1
 ASSI { 1227}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 50   and name HA  ))
      4.400     2.400     1.600 peak  1227 spectrum    1 weight  0.10000E+01 volume  0.83281E-03 ppm1      2.318 ppm2      4.261 CV     1
 ASSI { 1228}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 53   and name HA  ))
      2.600     0.900     0.900 peak  1228 spectrum    1 weight  0.10000E+01 volume  0.22019E-02 ppm1      2.321 ppm2      4.092 CV     1
 ASSI { 1229}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 58   and name HA  ))
      2.400     0.700     0.700 peak  1229 spectrum    1 weight  0.10000E+01 volume  0.56174E-02 ppm1      2.135 ppm2      4.682 CV     1
 ASSI { 1230}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 53   and name HA  ))
      4.600     2.600     1.400 peak  1230 spectrum    1 weight  0.10000E+01 volume  0.44218E-03 ppm1      2.135 ppm2      4.081 CV     1
 ASSI { 1231}
   (( segid "    " and resid 36   and name HG2 ))
   (( segid "    " and resid 36   and name HA  ))
      2.900     1.000     1.000 peak  1231 spectrum    1 weight  0.10000E+01 volume  0.37817E-02 ppm1      2.498 ppm2      4.362 CV     1
 OR { 1231}
   (( segid "    " and resid 36   and name HG1 ))
   (( segid "    " and resid 36   and name HA  ))
 ASSI { 1232}
   (( segid "    " and resid 47   and name HG2 ))
   (( segid "    " and resid 47   and name HA  ))
      3.600     1.600     1.600 peak  1232 spectrum    1 weight  0.10000E+01 volume  0.18248E-02 ppm1      2.468 ppm2      4.242 CV     1
 ASSI { 1234}
   (( segid "    " and resid 47   and name HG1 ))
   (( segid "    " and resid 47   and name HA  ))
      3.100     1.200     1.200 peak  1234 spectrum    1 weight  0.10000E+01 volume  0.17004E-02 ppm1      2.612 ppm2      4.241 CV     1
 ASSI { 1236}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 53   and name HA  ))
      3.200     1.300     1.300 peak  1236 spectrum    1 weight  0.10000E+01 volume  0.19232E-02 ppm1      2.762 ppm2      4.088 CV     1
 ASSI { 1238}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 53   and name HG2 ))
      1.600     0.300     0.600 peak  1238 spectrum    1 weight  0.10000E+01 volume  0.13760E-01 ppm1      2.762 ppm2      2.327 CV     1
 ASSI { 1239}
   (( segid "    " and resid 47   and name HG1 ))
   (( segid "    " and resid 47   and name HB1 ))
      2.700     0.900     0.900 peak  1239 spectrum    1 weight  0.10000E+01 volume  0.44571E-02 ppm1      2.610 ppm2      2.343 CV     1
 ASSI { 1243}
   (( segid "    " and resid 36   and name HG2 ))
   (( segid "    " and resid 36   and name HB1 ))
      2.200     0.600     0.600 peak  1243 spectrum    1 weight  0.10000E+01 volume  0.16447E-01 ppm1      2.497 ppm2      2.249 CV     1
 OR { 1243}
   (( segid "    " and resid 36   and name HG1 ))
   (( segid "    " and resid 36   and name HB1 ))
 ASSI { 1244}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 20   and name HB1 ))
      2.600     0.800     0.800 peak  1244 spectrum    1 weight  0.10000E+01 volume  0.61631E-02 ppm1      2.406 ppm2      2.233 CV     1
 OR { 1244}
   (( segid "    " and resid 20   and name HG1 ))
   (( segid "    " and resid 20   and name HB1 ))
 ASSI { 1248}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 53   and name HB1 ))
      2.200     0.600     0.600 peak  1248 spectrum    1 weight  0.10000E+01 volume  0.57193E-02 ppm1      2.315 ppm2      2.506 CV     1
 ASSI { 1249}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 58   and name HG1%)
      2.100     0.500     0.500 peak  1249 spectrum    1 weight  0.10000E+01 volume  0.10593E-01 ppm1      2.134 ppm2      0.950 CV     1
 OR { 1249}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI { 1251}
   (( segid "    " and resid 53   and name HG1 ))
   (  segid "    " and resid 58   and name HG1%)
      4.400     2.400     1.600 peak  1251 spectrum    1 weight  0.10000E+01 volume  0.95484E-03 ppm1      2.766 ppm2      0.908 CV     1
 ASSI { 1252}
   (( segid "    " and resid 53   and name HG1 ))
   (  segid "    " and resid 60   and name HD1%)
      3.400     1.400     1.400 peak  1252 spectrum    1 weight  0.10000E+01 volume  0.81375E-03 ppm1      2.765 ppm2      0.833 CV     1
 ASSI { 1255}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 60   and name HG11))
      3.300     1.400     1.400 peak  1255 spectrum    1 weight  0.10000E+01 volume  0.35927E-03 ppm1      2.326 ppm2      1.494 CV     1
 ASSI { 1256}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 20   and name HN  ))
      3.500     1.500     1.500 peak  1256 spectrum    1 weight  0.10000E+01 volume  0.12377E-02 ppm1      2.407 ppm2      8.476 CV     1
 OR { 1256}
   (( segid "    " and resid 20   and name HG1 ))
   (( segid "    " and resid 20   and name HN  ))
 ASSI { 1258}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HN  ))
      4.300     2.300     1.700 peak  1258 spectrum    1 weight  0.10000E+01 volume  0.15335E-02 ppm1      2.396 ppm2      8.221 CV     1
 ASSI { 1261}
   (( segid "    " and resid 73   and name HG2 ))
   (( segid "    " and resid 70   and name HN  ))
      4.100     2.100     1.900 peak  1261 spectrum    1 weight  0.10000E+01 volume  0.60993E-03 ppm1      2.519 ppm2      7.470 CV     1
 ASSI { 1263}
   (( segid "    " and resid 73   and name HG1 ))
   (( segid "    " and resid 73   and name HA  ))
      3.400     1.500     1.500 peak  1263 spectrum    1 weight  0.10000E+01 volume  0.23050E-02 ppm1      2.641 ppm2      4.237 CV     1
 ASSI { 1265}
   (( segid "    " and resid 73   and name HG2 ))
   (( segid "    " and resid 73   and name HA  ))
      3.100     1.200     1.200 peak  1265 spectrum    1 weight  0.10000E+01 volume  0.15417E-02 ppm1      2.490 ppm2      4.242 CV     1
 ASSI { 1268}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 16   and name HB2 ))
      3.000     1.200     1.200 peak  1268 spectrum    1 weight  0.10000E+01 volume  0.28543E-02 ppm1      2.620 ppm2      2.142 CV     1
 ASSI { 1271}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 16   and name HG2 ))
      1.800     0.400     0.400 peak  1271 spectrum    1 weight  0.10000E+01 volume  0.17655E-01 ppm1      2.622 ppm2      2.395 CV     1
 ASSI { 1274}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HB1 ))
      2.400     0.700     0.700 peak  1274 spectrum    1 weight  0.10000E+01 volume  0.55935E-02 ppm1      2.394 ppm2      2.261 CV     1
 ASSI { 1275}
   (( segid "    " and resid 73   and name HG2 ))
   (( segid "    " and resid 73   and name HB2 ))
      2.600     0.900     0.900 peak  1275 spectrum    1 weight  0.10000E+01 volume  0.38373E-02 ppm1      2.504 ppm2      2.270 CV     1
 ASSI { 1276}
   (( segid "    " and resid 84   and name HG1 ))
   (( segid "    " and resid 84   and name HB1 ))
      2.500     0.800     0.800 peak  1276 spectrum    1 weight  0.10000E+01 volume  0.67860E-02 ppm1      2.540 ppm2      2.276 CV     1
 ASSI { 1277}
   (( segid "    " and resid 73   and name HG1 ))
   (( segid "    " and resid 73   and name HG2 ))
      1.800     0.400     0.400 peak  1277 spectrum    1 weight  0.10000E+01 volume  0.13825E-01 ppm1      2.641 ppm2      2.500 CV     1
 ASSI { 1281}
   (( segid "    " and resid 84   and name HG2 ))
   (( segid "    " and resid 84   and name HG1 ))
      1.500     0.300     0.700 peak  1281 spectrum    1 weight  0.10000E+01 volume  0.54432E-01 ppm1      2.467 ppm2      2.539 CV     1
 ASSI { 1282}
   (( segid "    " and resid 73   and name HG1 ))
   (  segid "    " and resid 68   and name HG1%)
      4.700     2.800     1.300 peak  1282 spectrum    1 weight  0.10000E+01 volume  0.65731E-03 ppm1      2.644 ppm2      1.133 CV     1
 ASSI { 1283}
   (( segid "    " and resid 73   and name HG2 ))
   (  segid "    " and resid 68   and name HG1%)
      5.400     3.600     0.600 peak  1283 spectrum    1 weight  0.10000E+01 volume  0.44604E-03 ppm1      2.516 ppm2      1.135 CV     1
 ASSI { 1284}
   (( segid "    " and resid 84   and name HG1 ))
   (( segid "    " and resid 84   and name HA  ))
      3.800     1.800     1.800 peak  1284 spectrum    1 weight  0.10000E+01 volume  0.10360E-02 ppm1      2.543 ppm2      4.394 CV     1
 ASSI { 1292}
   (( segid "    " and resid 78   and name HB  ))
   (( segid "    " and resid 78   and name HN  ))
      3.000     1.100     1.100 peak  1292 spectrum    1 weight  0.10000E+01 volume  0.13310E-02 ppm1      1.938 ppm2      8.273 CV     1
 ASSI { 1293}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 79   and name HA  ))
      3.000     1.100     1.100 peak  1293 spectrum    1 weight  0.10000E+01 volume  0.75434E-03 ppm1      3.095 ppm2      4.906 CV     1
 ASSI { 1295}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 79   and name HA  ))
      3.500     1.500     1.500 peak  1295 spectrum    1 weight  0.10000E+01 volume  0.10724E-02 ppm1      2.772 ppm2      4.908 CV     1
 ASSI { 1296}
   (( segid "    " and resid 78   and name HB  ))
   (( segid "    " and resid 75   and name HA  ))
      3.900     1.900     1.900 peak  1296 spectrum    1 weight  0.10000E+01 volume  0.32161E-03 ppm1      1.942 ppm2      3.890 CV     1
 ASSI { 1307}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 79   and name HB2 ))
      1.900     0.500     0.500 peak  1307 spectrum    1 weight  0.10000E+01 volume  0.52307E-02 ppm1      3.088 ppm2      2.767 CV     1
 ASSI { 1310}
   (( segid "    " and resid 35   and name HB2 ))
   (  segid "    " and resid 45   and name HD2%)
      4.100     2.100     1.900 peak  1310 spectrum    1 weight  0.10000E+01 volume  0.56436E-03 ppm1      3.089 ppm2      0.359 CV     1
 ASSI { 1312}
   (( segid "    " and resid 35   and name HB2 ))
   (  segid "    " and resid 45   and name HD1%)
      4.000     2.000     2.000 peak  1312 spectrum    1 weight  0.10000E+01 volume  0.31841E-03 ppm1      3.087 ppm2      0.232 CV     1
 ASSI { 1313}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 40   and name HB2 ))
      3.200     1.200     1.200 peak  1313 spectrum    1 weight  0.10000E+01 volume  0.15633E-02 ppm1      3.591 ppm2      2.798 CV     1
 ASSI { 1314}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 35   and name HB2 ))
      1.700     0.400     0.500 peak  1314 spectrum    1 weight  0.10000E+01 volume  0.10077E-01 ppm1      3.592 ppm2      3.086 CV     1
 ASSI { 1318}
   (( segid "    " and resid 35   and name HB1 ))
   (  segid "    " and resid 35   and name HD% )
      2.600     0.900     0.900 peak  1318 spectrum    1 weight  0.10000E+01 volume  0.34494E-02 ppm1      3.591 ppm2      7.111 CV     1
 ASSI { 1319}
   (( segid "    " and resid 35   and name HB2 ))
   (  segid "    " and resid 35   and name HD% )
      2.400     0.700     0.700 peak  1319 spectrum    1 weight  0.10000E+01 volume  0.37073E-02 ppm1      3.087 ppm2      7.111 CV     1
 ASSI { 1324}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 36   and name HN  ))
      3.600     1.600     1.600 peak  1324 spectrum    1 weight  0.10000E+01 volume  0.12713E-02 ppm1      3.592 ppm2      9.564 CV     1
 ASSI { 1325}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 36   and name HN  ))
      2.900     1.000     1.000 peak  1325 spectrum    1 weight  0.10000E+01 volume  0.16235E-02 ppm1      3.086 ppm2      9.564 CV     1
 ASSI { 1326}
   (( segid "    " and resid 56   and name HB1 ))
   (  segid "    " and resid 82   and name HD2%)
      2.400     0.700     0.700 peak  1326 spectrum    1 weight  0.10000E+01 volume  0.42521E-02 ppm1      3.452 ppm2      0.980 CV     1
 OR { 1326}
   (( segid "    " and resid 56   and name HB1 ))
   (  segid "    " and resid 82   and name HD1%)
 ASSI { 1327}
   (( segid "    " and resid 56   and name HB2 ))
   (  segid "    " and resid 82   and name HD2%)
      2.800     1.000     1.000 peak  1327 spectrum    1 weight  0.10000E+01 volume  0.28426E-02 ppm1      2.786 ppm2      0.972 CV     1
 OR { 1327}
   (( segid "    " and resid 56   and name HB2 ))
   (  segid "    " and resid 82   and name HD1%)
 ASSI { 1329}
   (( segid "    " and resid 38   and name HB  ))
   (  segid "    " and resid 24   and name HG2%)
      3.600     1.600     1.600 peak  1329 spectrum    1 weight  0.10000E+01 volume  0.60280E-03 ppm1      2.460 ppm2      1.276 CV     1
 ASSI { 1337}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 29   and name HA  ))
      3.100     1.200     1.200 peak  1337 spectrum    1 weight  0.10000E+01 volume  0.27819E-02 ppm1      2.892 ppm2      4.850 CV     1
 ASSI { 1338}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HA  ))
      2.600     0.900     0.900 peak  1338 spectrum    1 weight  0.10000E+01 volume  0.33326E-02 ppm1      2.668 ppm2      4.848 CV     1
 ASSI { 1339}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 56   and name HA  ))
      3.900     1.900     1.900 peak  1339 spectrum    1 weight  0.10000E+01 volume  0.71002E-03 ppm1      2.793 ppm2      4.670 CV     1
 ASSI { 1342}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 38   and name HA  ))
      2.400     0.700     0.700 peak  1342 spectrum    1 weight  0.10000E+01 volume  0.53794E-02 ppm1      2.456 ppm2      4.664 CV     1
 ASSI { 1343}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 35   and name HA  ))
      4.800     2.900     1.200 peak  1343 spectrum    1 weight  0.10000E+01 volume  0.68127E-03 ppm1      2.455 ppm2      4.370 CV     1
 ASSI { 1344}
   (( segid "    " and resid 56   and name HB1 ))
   (( segid "    " and resid 56   and name HA  ))
      2.500     0.800     0.800 peak  1344 spectrum    1 weight  0.10000E+01 volume  0.45867E-02 ppm1      3.453 ppm2      4.676 CV     1
 ASSI { 1345}
   (( segid "    " and resid 56   and name HB1 ))
   (  segid "    " and resid 56   and name HD% )
      2.400     0.700     0.700 peak  1345 spectrum    1 weight  0.10000E+01 volume  0.54343E-02 ppm1      3.454 ppm2      7.441 CV     1
 ASSI { 1347}
   (( segid "    " and resid 38   and name HB  ))
   (  segid "    " and resid 40   and name HD% )
      4.500     2.500     1.500 peak  1347 spectrum    1 weight  0.10000E+01 volume  0.28720E-03 ppm1      2.452 ppm2      6.978 CV     1
 ASSI { 1351}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 30   and name HN  ))
      4.700     2.800     1.300 peak  1351 spectrum    1 weight  0.10000E+01 volume  0.51977E-03 ppm1      2.676 ppm2      8.052 CV     1
 ASSI { 1352}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 30   and name HN  ))
      4.900     3.000     1.100 peak  1352 spectrum    1 weight  0.10000E+01 volume  0.39986E-03 ppm1      2.895 ppm2      8.046 CV     1
 ASSI { 1355}
   (( segid "    " and resid 56   and name HB1 ))
   (( segid "    " and resid 56   and name HN  ))
      3.500     1.600     1.600 peak  1355 spectrum    1 weight  0.10000E+01 volume  0.23812E-02 ppm1      3.453 ppm2      8.132 CV     1
 ASSI { 1356}
   (( segid "    " and resid 56   and name HB1 ))
   (( segid "    " and resid 57   and name HN  ))
      4.500     2.500     1.500 peak  1356 spectrum    1 weight  0.10000E+01 volume  0.55771E-03 ppm1      3.456 ppm2      7.959 CV     1
 ASSI { 1358}
   (( segid "    " and resid 63   and name HB1 ))
   (( segid "    " and resid 63   and name HN  ))
      3.500     1.600     1.600 peak  1358 spectrum    1 weight  0.10000E+01 volume  0.21172E-02 ppm1      2.829 ppm2      8.620 CV     1
 ASSI { 1359}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 63   and name HN  ))
      3.100     1.200     1.200 peak  1359 spectrum    1 weight  0.10000E+01 volume  0.13818E-02 ppm1      2.738 ppm2      8.620 CV     1
 ASSI { 1362}
   (( segid "    " and resid 60   and name HB  ))
   (( segid "    " and resid 60   and name HN  ))
      2.700     0.900     0.900 peak  1362 spectrum    1 weight  0.10000E+01 volume  0.32412E-02 ppm1      1.785 ppm2      8.172 CV     1
 ASSI { 1364}
   (( segid "    " and resid 30   and name HB2 ))
   (  segid "    " and resid 30   and name HD% )
      2.500     0.800     0.800 peak  1364 spectrum    1 weight  0.10000E+01 volume  0.41017E-02 ppm1      3.014 ppm2      7.306 CV     1
 ASSI { 1366}
   (( segid "    " and resid 40   and name HB1 ))
   (  segid "    " and resid 35   and name HD% )
      3.400     1.400     1.400 peak  1366 spectrum    1 weight  0.10000E+01 volume  0.11535E-02 ppm1      3.014 ppm2      7.113 CV     1
 ASSI { 1367}
   (( segid "    " and resid 40   and name HB1 ))
   (  segid "    " and resid 40   and name HD% )
      2.500     0.800     0.800 peak  1367 spectrum    1 weight  0.10000E+01 volume  0.29061E-02 ppm1      3.014 ppm2      6.968 CV     1
 ASSI { 1368}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 35   and name HD% )
      3.200     1.300     1.300 peak  1368 spectrum    1 weight  0.10000E+01 volume  0.16062E-02 ppm1      2.794 ppm2      7.112 CV     1
 ASSI { 1369}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 40   and name HD% )
      2.600     0.800     0.800 peak  1369 spectrum    1 weight  0.10000E+01 volume  0.34541E-02 ppm1      2.795 ppm2      6.969 CV     1
 ASSI { 1371}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name HN  ))
      2.500     0.800     0.800 peak  1371 spectrum    1 weight  0.10000E+01 volume  0.23998E-02 ppm1      2.796 ppm2      8.060 CV     1
 ASSI { 1372}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 41   and name HN  ))
      4.100     2.100     1.900 peak  1372 spectrum    1 weight  0.10000E+01 volume  0.97548E-03 ppm1      2.796 ppm2      7.958 CV     1
 ASSI { 1375}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 26   and name HA  ))
      3.200     1.300     1.300 peak  1375 spectrum    1 weight  0.10000E+01 volume  0.91542E-03 ppm1      3.291 ppm2      4.359 CV     1
 ASSI { 1377}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HA  ))
      2.700     0.900     0.900 peak  1377 spectrum    1 weight  0.10000E+01 volume  0.29377E-02 ppm1      3.013 ppm2      4.743 CV     1
 ASSI { 1382}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HB1 ))
      1.700     0.400     0.500 peak  1382 spectrum    1 weight  0.10000E+01 volume  0.13994E-01 ppm1      3.013 ppm2      3.289 CV     1
 ASSI { 1383}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 35   and name HB1 ))
      2.300     0.700     0.700 peak  1383 spectrum    1 weight  0.10000E+01 volume  0.19349E-02 ppm1      3.011 ppm2      3.591 CV     1
 ASSI { 1384}
   (( segid "    " and resid 60   and name HB  ))
   (( segid "    " and resid 59   and name HA  ))
      5.000     3.200     1.000 peak  1384 spectrum    1 weight  0.10000E+01 volume  0.35312E-03 ppm1      1.784 ppm2      4.841 CV     1
 ASSI { 1385}
   (( segid "    " and resid 60   and name HB  ))
   (( segid "    " and resid 60   and name HA  ))
      2.900     1.000     1.000 peak  1385 spectrum    1 weight  0.10000E+01 volume  0.24113E-02 ppm1      1.786 ppm2      4.658 CV     1
 ASSI { 1386}
   (( segid "    " and resid 60   and name HB  ))
   (( segid "    " and resid 61   and name HD1 ))
      4.400     2.400     1.600 peak  1386 spectrum    1 weight  0.10000E+01 volume  0.83009E-03 ppm1      1.790 ppm2      4.008 CV     1
 ASSI { 1387}
   (( segid "    " and resid 60   and name HB  ))
   (( segid "    " and resid 61   and name HD2 ))
      4.100     2.100     1.900 peak  1387 spectrum    1 weight  0.10000E+01 volume  0.11443E-02 ppm1      1.785 ppm2      3.569 CV     1
 ASSI { 1388}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 40   and name HB2 ))
      1.500     0.300     0.700 peak  1388 spectrum    1 weight  0.10000E+01 volume  0.13333E-01 ppm1      3.010 ppm2      2.795 CV     1
 ASSI { 1398}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 44   and name HB% )
      4.400     2.500     1.600 peak  1398 spectrum    1 weight  0.10000E+01 volume  0.12718E-02 ppm1      2.799 ppm2      1.512 CV     1
 ASSI { 1399}
   (( segid "    " and resid 60   and name HB  ))
   (( segid "    " and resid 60   and name HG11))
      2.500     0.800     0.800 peak  1399 spectrum    1 weight  0.10000E+01 volume  0.29584E-02 ppm1      1.785 ppm2      1.491 CV     1
 ASSI { 1400}
   (( segid "    " and resid 60   and name HB  ))
   (( segid "    " and resid 60   and name HG12))
      3.300     1.400     1.400 peak  1400 spectrum    1 weight  0.10000E+01 volume  0.16398E-02 ppm1      1.783 ppm2      1.117 CV     1
 ASSI { 1402}
   (( segid "    " and resid 60   and name HB  ))
   (  segid "    " and resid 60   and name HD1%)
      2.800     1.000     1.000 peak  1402 spectrum    1 weight  0.10000E+01 volume  0.25577E-02 ppm1      1.787 ppm2      0.841 CV     1
 ASSI { 1406}
   (( segid "    " and resid 30   and name HB2 ))
   (  segid "    " and resid 26   and name HD1%)
      3.300     1.300     1.300 peak  1406 spectrum    1 weight  0.10000E+01 volume  0.13081E-02 ppm1      3.013 ppm2      0.695 CV     1
 ASSI { 1409}
   (( segid "    " and resid 40   and name HB1 ))
   (  segid "    " and resid 45   and name HD1%)
      4.200     2.200     1.800 peak  1409 spectrum    1 weight  0.10000E+01 volume  0.63139E-03 ppm1      3.008 ppm2      0.238 CV     1
 ASSI { 1410}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 45   and name HD1%)
      4.900     3.000     1.100 peak  1410 spectrum    1 weight  0.10000E+01 volume  0.60384E-03 ppm1      2.796 ppm2      0.240 CV     1
 ASSI { 1411}
   (( segid "    " and resid 40   and name HB1 ))
   (  segid "    " and resid 45   and name HD2%)
      4.100     2.200     1.900 peak  1411 spectrum    1 weight  0.10000E+01 volume  0.29120E-03 ppm1      3.008 ppm2      0.361 CV     1
 ASSI { 1412}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 45   and name HD2%)
      4.900     3.000     1.100 peak  1412 spectrum    1 weight  0.10000E+01 volume  0.40694E-03 ppm1      2.792 ppm2      0.353 CV     1
 ASSI { 1415}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 33   and name HG  ))
      4.800     2.800     1.200 peak  1415 spectrum    1 weight  0.10000E+01 volume  0.56076E-03 ppm1      3.283 ppm2      1.776 CV     1
 OR { 1415}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 33   and name HB1 ))
 ASSI { 1416}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 31   and name HN  ))
      2.600     0.800     0.800 peak  1416 spectrum    1 weight  0.10000E+01 volume  0.17327E-02 ppm1      1.018 ppm2      7.509 CV     1
 ASSI { 1423}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 74   and name HB2 ))
      1.600     0.300     0.600 peak  1423 spectrum    1 weight  0.10000E+01 volume  0.12046E-01 ppm1      2.424 ppm2      1.695 CV     1
 ASSI { 1425}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 10   and name HB2 ))
      1.700     0.300     0.500 peak  1425 spectrum    1 weight  0.10000E+01 volume  0.12518E-01 ppm1      2.337 ppm2      1.567 CV     1
 ASSI { 1426}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 10   and name HG  ))
      2.500     0.800     0.800 peak  1426 spectrum    1 weight  0.10000E+01 volume  0.31150E-02 ppm1      2.337 ppm2      1.889 CV     1
 ASSI { 1427}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 14   and name HB2 ))
      1.700     0.300     0.500 peak  1427 spectrum    1 weight  0.10000E+01 volume  0.12225E-01 ppm1      1.987 ppm2      1.436 CV     1
 ASSI { 1440}
   (( segid "    " and resid 37   and name HB1 ))
   (  segid "    " and resid 38   and name HG2%)
      3.500     1.500     1.500 peak  1440 spectrum    1 weight  0.10000E+01 volume  0.61690E-03 ppm1      3.085 ppm2      1.061 CV     1
 ASSI { 1441}
   (( segid "    " and resid 37   and name HB2 ))
   (  segid "    " and resid 38   and name HG2%)
      4.200     2.200     1.800 peak  1441 spectrum    1 weight  0.10000E+01 volume  0.86543E-03 ppm1      2.995 ppm2      1.061 CV     1
 ASSI { 1442}
   (( segid "    " and resid 10   and name HB1 ))
   (  segid "    " and resid 5    and name HD2%)
      4.600     2.700     1.400 peak  1442 spectrum    1 weight  0.10000E+01 volume  0.55543E-03 ppm1      2.338 ppm2      0.629 CV     1
 OR { 1442}
   (( segid "    " and resid 10   and name HB1 ))
   (  segid "    " and resid 5    and name HD1%)
 ASSI { 1443}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HB1 ))
      1.700     0.400     0.500 peak  1443 spectrum    1 weight  0.10000E+01 volume  0.22803E-01 ppm1      2.356 ppm2      3.031 CV     1
 ASSI { 1445}
   (( segid "    " and resid 41   and name HB1 ))
   (( segid "    " and resid 41   and name HB2 ))
      1.800     0.400     0.400 peak  1445 spectrum    1 weight  0.10000E+01 volume  0.15385E-01 ppm1      3.283 ppm2      2.848 CV     1
 ASSI { 1446}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 9    and name HB2 ))
      1.800     0.400     0.400 peak  1446 spectrum    1 weight  0.10000E+01 volume  0.13025E-01 ppm1      3.038 ppm2      2.699 CV     1
 ASSI { 1450}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 11   and name HA  ))
      3.200     1.300     1.300 peak  1450 spectrum    1 weight  0.10000E+01 volume  0.81746E-03 ppm1      1.984 ppm2      3.514 CV     1
 ASSI { 1451}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 74   and name HA  ))
      3.000     1.200     1.200 peak  1451 spectrum    1 weight  0.10000E+01 volume  0.19686E-02 ppm1      2.424 ppm2      4.309 CV     1
 ASSI { 1452}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 71   and name HA  ))
      2.900     1.100     1.100 peak  1452 spectrum    1 weight  0.10000E+01 volume  0.12717E-02 ppm1      2.426 ppm2      4.233 CV     1
 ASSI { 1454}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HA  ))
      3.000     1.100     1.100 peak  1454 spectrum    1 weight  0.10000E+01 volume  0.24531E-02 ppm1      2.358 ppm2      5.045 CV     1
 ASSI { 1460}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 32   and name HA  ))
      2.900     1.000     1.000 peak  1460 spectrum    1 weight  0.10000E+01 volume  0.39262E-02 ppm1      3.031 ppm2      5.043 CV     1
 ASSI { 1461}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 37   and name HA  ))
      3.300     1.300     1.300 peak  1461 spectrum    1 weight  0.10000E+01 volume  0.21907E-02 ppm1      3.092 ppm2      4.808 CV     1
 ASSI { 1462}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 37   and name HA  ))
      3.000     1.100     1.100 peak  1462 spectrum    1 weight  0.10000E+01 volume  0.18501E-02 ppm1      2.997 ppm2      4.804 CV     1
 ASSI { 1469}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 37   and name HN  ))
      2.800     0.900     0.900 peak  1469 spectrum    1 weight  0.10000E+01 volume  0.29023E-02 ppm1      2.993 ppm2      7.552 CV     1
 ASSI { 1471}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 41   and name HN  ))
      2.900     1.000     1.000 peak  1471 spectrum    1 weight  0.10000E+01 volume  0.21256E-02 ppm1      2.849 ppm2      7.966 CV     1
 ASSI { 1472}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 43   and name HN  ))
      3.900     1.900     1.900 peak  1472 spectrum    1 weight  0.10000E+01 volume  0.57465E-03 ppm1      2.850 ppm2      7.790 CV     1
 ASSI { 1473}
   (( segid "    " and resid 41   and name HB1 ))
   (( segid "    " and resid 41   and name HN  ))
      3.500     1.500     1.500 peak  1473 spectrum    1 weight  0.10000E+01 volume  0.17859E-02 ppm1      3.285 ppm2      7.965 CV     1
 ASSI { 1476}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 8    and name HN  ))
      2.500     0.800     0.800 peak  1476 spectrum    1 weight  0.10000E+01 volume  0.70855E-02 ppm1      2.711 ppm2      8.259 CV     1
 OR { 1476}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 8    and name HN  ))
 ASSI { 1477}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 30   and name HZ  ))
      3.500     1.500     1.500 peak  1477 spectrum    1 weight  0.10000E+01 volume  0.60988E-03 ppm1      2.332 ppm2      7.340 CV     1
 ASSI { 1478}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 35   and name HZ  ))
      3.600     1.600     1.600 peak  1478 spectrum    1 weight  0.10000E+01 volume  0.72461E-03 ppm1      2.425 ppm2      6.893 CV     1
 ASSI { 1480}
   (( segid "    " and resid 41   and name HB1 ))
   (( segid "    " and resid 42   and name HN  ))
      2.500     0.800     0.800 peak  1480 spectrum    1 weight  0.10000E+01 volume  0.51810E-02 ppm1      3.284 ppm2      8.921 CV     1
 ASSI { 1481}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 42   and name HN  ))
      3.100     1.200     1.200 peak  1481 spectrum    1 weight  0.10000E+01 volume  0.37483E-02 ppm1      2.850 ppm2      8.919 CV     1
 ASSI { 1485}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 75   and name HN  ))
      2.600     0.900     0.900 peak  1485 spectrum    1 weight  0.10000E+01 volume  0.19076E-02 ppm1      2.425 ppm2      8.724 CV     1
 ASSI { 1489}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 14   and name HN  ))
      2.600     0.800     0.800 peak  1489 spectrum    1 weight  0.10000E+01 volume  0.38689E-02 ppm1      1.988 ppm2      8.410 CV     1
 ASSI { 1492}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 75   and name HN  ))
      3.700     1.800     1.800 peak  1492 spectrum    1 weight  0.10000E+01 volume  0.15441E-02 ppm1      1.694 ppm2      8.723 CV     1
 ASSI { 1493}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HN  ))
      2.600     0.800     0.800 peak  1493 spectrum    1 weight  0.10000E+01 volume  0.35970E-02 ppm1      1.567 ppm2      8.074 CV     1
 ASSI { 1497}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HN  ))
      2.600     0.900     0.900 peak  1497 spectrum    1 weight  0.10000E+01 volume  0.26241E-02 ppm1      1.437 ppm2      8.412 CV     1
 ASSI { 1499}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 45   and name HN  ))
      2.400     0.700     0.700 peak  1499 spectrum    1 weight  0.10000E+01 volume  0.39959E-02 ppm1      1.499 ppm2      8.445 CV     1
 ASSI { 1505}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 74   and name HN  ))
      2.500     0.800     0.800 peak  1505 spectrum    1 weight  0.10000E+01 volume  0.27644E-02 ppm1      1.693 ppm2      7.706 CV     1
 ASSI { 1508}
   (( segid "    " and resid 43   and name HB1 ))
   (( segid "    " and resid 43   and name HA  ))
      2.500     0.800     0.800 peak  1508 spectrum    1 weight  0.10000E+01 volume  0.35681E-02 ppm1      1.884 ppm2      4.276 CV     1
 ASSI { 1509}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 43   and name HA  ))
      3.000     1.100     1.100 peak  1509 spectrum    1 weight  0.10000E+01 volume  0.32278E-02 ppm1      1.820 ppm2      4.274 CV     1
 ASSI { 1510}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 74   and name HA  ))
      2.500     0.800     0.800 peak  1510 spectrum    1 weight  0.10000E+01 volume  0.27894E-02 ppm1      1.696 ppm2      4.305 CV     1
 ASSI { 1514}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 45   and name HA  ))
      3.000     1.100     1.100 peak  1514 spectrum    1 weight  0.10000E+01 volume  0.25513E-02 ppm1      1.498 ppm2      3.896 CV     1
 ASSI { 1515}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HA  ))
      2.400     0.700     0.700 peak  1515 spectrum    1 weight  0.10000E+01 volume  0.39792E-02 ppm1      1.567 ppm2      4.211 CV     1
 ASSI { 1518}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 26   and name HA  ))
      3.000     1.100     1.100 peak  1518 spectrum    1 weight  0.10000E+01 volume  0.24924E-02 ppm1      1.449 ppm2      4.358 CV     1
 ASSI { 1525}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 31   and name HB1 ))
      1.700     0.300     0.500 peak  1525 spectrum    1 weight  0.10000E+01 volume  0.11566E-01 ppm1      1.022 ppm2      1.628 CV     1
 ASSI { 1526}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HG  ))
      3.100     1.200     1.200 peak  1526 spectrum    1 weight  0.10000E+01 volume  0.20743E-02 ppm1      1.567 ppm2      1.895 CV     1
 ASSI { 1530}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 26   and name HB1 ))
      1.800     0.400     0.400 peak  1530 spectrum    1 weight  0.10000E+01 volume  0.11039E-01 ppm1      1.227 ppm2      1.452 CV     1
 ASSI { 1531}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 45   and name HB1 ))
      1.800     0.400     0.400 peak  1531 spectrum    1 weight  0.10000E+01 volume  0.78119E-02 ppm1      1.491 ppm2      1.651 CV     1
 ASSI { 1533}
   (( segid "    " and resid 14   and name HB2 ))
   (  segid "    " and resid 14   and name HD2%)
      2.700     0.900     0.900 peak  1533 spectrum    1 weight  0.10000E+01 volume  0.38177E-02 ppm1      1.439 ppm2      0.893 CV     1
 ASSI { 1545}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 45   and name HD2%)
      3.600     1.700     1.700 peak  1545 spectrum    1 weight  0.10000E+01 volume  0.19847E-02 ppm1      1.502 ppm2      0.358 CV     1
 ASSI { 1550}
   (( segid "    " and resid 31   and name HB2 ))
   (  segid "    " and resid 31   and name HD2%)
      2.700     0.900     0.900 peak  1550 spectrum    1 weight  0.10000E+01 volume  0.22258E-02 ppm1      1.017 ppm2      0.789 CV     1
 ASSI { 1553}
   (( segid "    " and resid 43   and name HB2 ))
   (  segid "    " and resid 43   and name HD2%)
      3.600     1.700     1.700 peak  1553 spectrum    1 weight  0.10000E+01 volume  0.20983E-02 ppm1      1.823 ppm2      1.041 CV     1
 ASSI { 1557}
   (( segid "    " and resid 5    and name HB2 ))
   (  segid "    " and resid 75   and name HD1%)
      3.500     1.600     1.600 peak  1557 spectrum    1 weight  0.10000E+01 volume  0.19984E-02 ppm1      1.341 ppm2      0.795 CV     1
 ASSI { 1558}
   (( segid "    " and resid 5    and name HB2 ))
   (  segid "    " and resid 5    and name HD1%)
      2.700     0.900     0.900 peak  1558 spectrum    1 weight  0.10000E+01 volume  0.28516E-02 ppm1      1.342 ppm2      0.630 CV     1
 OR { 1558}
   (( segid "    " and resid 5    and name HB2 ))
   (  segid "    " and resid 5    and name HD2%)
 ASSI { 1559}
   (( segid "    " and resid 82   and name HB2 ))
   (  segid "    " and resid 82   and name HD1%)
      2.300     0.700     0.700 peak  1559 spectrum    1 weight  0.10000E+01 volume  0.84278E-02 ppm1      1.559 ppm2      0.981 CV     1
 OR { 1559}
   (( segid "    " and resid 82   and name HB2 ))
   (  segid "    " and resid 82   and name HD2%)
 ASSI { 1560}
   (( segid "    " and resid 33   and name HB1 ))
   (( segid "    " and resid 33   and name HB2 ))
      1.700     0.400     0.500 peak  1560 spectrum    1 weight  0.10000E+01 volume  0.11739E-01 ppm1      1.774 ppm2      1.404 CV     1
 ASSI { 1562}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 5    and name HB2 ))
      1.700     0.400     0.500 peak  1562 spectrum    1 weight  0.10000E+01 volume  0.11470E-01 ppm1      1.587 ppm2      1.344 CV     1
 ASSI { 1563}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 4    and name HB2 ))
      1.400     0.200     0.800 peak  1563 spectrum    1 weight  0.10000E+01 volume  0.17627E-01 ppm1      1.602 ppm2      1.476 CV     1
 ASSI { 1566}
   (( segid "    " and resid 77   and name HB1 ))
   (( segid "    " and resid 77   and name HB2 ))
      1.700     0.300     0.500 peak  1566 spectrum    1 weight  0.10000E+01 volume  0.16477E-01 ppm1      2.032 ppm2      1.912 CV     1
 ASSI { 1569}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 52   and name HB2 ))
      1.600     0.300     0.600 peak  1569 spectrum    1 weight  0.10000E+01 volume  0.13207E-01 ppm1      2.213 ppm2      1.444 CV     1
 ASSI { 1570}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 75   and name HG  ))
      2.500     0.800     0.800 peak  1570 spectrum    1 weight  0.10000E+01 volume  0.36565E-02 ppm1      2.194 ppm2      1.688 CV     1
 ASSI { 1571}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 75   and name HB2 ))
      1.700     0.400     0.500 peak  1571 spectrum    1 weight  0.10000E+01 volume  0.10759E-01 ppm1      2.193 ppm2      1.544 CV     1
 ASSI { 1572}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 77   and name HG  ))
      2.500     0.800     0.800 peak  1572 spectrum    1 weight  0.10000E+01 volume  0.55200E-02 ppm1      1.915 ppm2      1.825 CV     1
 ASSI { 1578}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 52   and name HG  ))
      3.100     1.200     1.200 peak  1578 spectrum    1 weight  0.10000E+01 volume  0.22430E-02 ppm1      2.210 ppm2      2.038 CV     1
 ASSI { 1579}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 82   and name HB1 ))
      1.600     0.300     0.600 peak  1579 spectrum    1 weight  0.10000E+01 volume  0.12900E-01 ppm1      1.557 ppm2      2.010 CV     1
 ASSI { 1580}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 82   and name HG  ))
      2.400     0.700     0.700 peak  1580 spectrum    1 weight  0.10000E+01 volume  0.25742E-02 ppm1      1.560 ppm2      1.839 CV     1
 ASSI { 1583}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 5    and name HB1 ))
      1.600     0.300     0.600 peak  1583 spectrum    1 weight  0.10000E+01 volume  0.17960E-01 ppm1      1.342 ppm2      1.577 CV     1
 OR { 1583}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 5    and name HG  ))
 ASSI { 1584}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 33   and name HB1 ))
      1.700     0.400     0.500 peak  1584 spectrum    1 weight  0.10000E+01 volume  0.14540E-01 ppm1      1.404 ppm2      1.774 CV     1
 OR { 1584}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 33   and name HG  ))
 ASSI { 1590}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 72   and name HG2 ))
      3.000     1.100     1.100 peak  1590 spectrum    1 weight  0.10000E+01 volume  0.22658E-02 ppm1      3.018 ppm2      1.514 CV     1
 ASSI { 1592}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 72   and name HG2 ))
      2.700     0.900     0.900 peak  1592 spectrum    1 weight  0.10000E+01 volume  0.20018E-02 ppm1      3.493 ppm2      1.515 CV     1
 ASSI { 1593}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 72   and name HD2 ))
      1.700     0.400     0.500 peak  1593 spectrum    1 weight  0.10000E+01 volume  0.13271E-01 ppm1      3.494 ppm2      3.016 CV     1
 ASSI { 1594}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 72   and name HB1 ))
      2.900     1.000     1.000 peak  1594 spectrum    1 weight  0.10000E+01 volume  0.12505E-02 ppm1      3.015 ppm2      1.856 CV     1
 ASSI { 1595}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 72   and name HB1 ))
      3.700     1.700     1.700 peak  1595 spectrum    1 weight  0.10000E+01 volume  0.91362E-03 ppm1      3.495 ppm2      1.853 CV     1
 ASSI { 1604}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 52   and name HA  ))
      2.600     0.800     0.800 peak  1604 spectrum    1 weight  0.10000E+01 volume  0.24169E-02 ppm1      2.214 ppm2      4.309 CV     1
 ASSI { 1610}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 72   and name HA  ))
      2.800     1.000     1.000 peak  1610 spectrum    1 weight  0.10000E+01 volume  0.18484E-02 ppm1      2.187 ppm2      3.602 CV     1
 ASSI { 1611}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 4    and name HA  ))
      2.600     0.900     0.900 peak  1611 spectrum    1 weight  0.10000E+01 volume  0.24084E-02 ppm1      1.477 ppm2      4.356 CV     1
 ASSI { 1613}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 49   and name HA  ))
      2.900     1.100     1.100 peak  1613 spectrum    1 weight  0.10000E+01 volume  0.11907E-02 ppm1      1.443 ppm2      3.952 CV     1
 ASSI { 1614}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 75   and name HA  ))
      2.800     1.000     1.000 peak  1614 spectrum    1 weight  0.10000E+01 volume  0.17220E-02 ppm1      1.545 ppm2      3.888 CV     1
 ASSI { 1615}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 72   and name HA  ))
      3.500     1.600     1.600 peak  1615 spectrum    1 weight  0.10000E+01 volume  0.12629E-02 ppm1      1.543 ppm2      3.607 CV     1
 ASSI { 1616}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 5    and name HA  ))
      2.600     0.900     0.900 peak  1616 spectrum    1 weight  0.10000E+01 volume  0.29800E-02 ppm1      1.587 ppm2      4.523 CV     1
 ASSI { 1619}
   (( segid "    " and resid 33   and name HB1 ))
   (( segid "    " and resid 33   and name HA  ))
      2.700     0.900     0.900 peak  1619 spectrum    1 weight  0.10000E+01 volume  0.23406E-02 ppm1      1.772 ppm2      4.308 CV     1
 ASSI { 1620}
   (( segid "    " and resid 82   and name HB1 ))
   (( segid "    " and resid 79   and name HA  ))
      3.600     1.700     1.700 peak  1620 spectrum    1 weight  0.10000E+01 volume  0.23073E-02 ppm1      2.011 ppm2      4.905 CV     1
 ASSI { 1621}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 79   and name HA  ))
      2.500     0.800     0.800 peak  1621 spectrum    1 weight  0.10000E+01 volume  0.14038E-02 ppm1      1.560 ppm2      4.906 CV     1
 ASSI { 1622}
   (( segid "    " and resid 33   and name HB1 ))
   (( segid "    " and resid 33   and name HN  ))
      3.500     1.600     1.600 peak  1622 spectrum    1 weight  0.10000E+01 volume  0.30181E-02 ppm1      1.774 ppm2      7.208 CV     1
 ASSI { 1623}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 35   and name HZ  ))
      3.000     1.200     1.200 peak  1623 spectrum    1 weight  0.10000E+01 volume  0.73447E-03 ppm1      1.693 ppm2      6.889 CV     1
 ASSI { 1624}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 79   and name HD21))
      2.800     1.000     1.000 peak  1624 spectrum    1 weight  0.10000E+01 volume  0.10181E-02 ppm1      1.593 ppm2      7.326 CV     1
 ASSI { 1626}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 79   and name HD21))
      4.700     2.700     1.300 peak  1626 spectrum    1 weight  0.10000E+01 volume  0.76431E-03 ppm1      1.343 ppm2      7.331 CV     1
 ASSI { 1629}
   (( segid "    " and resid 77   and name HB1 ))
   (( segid "    " and resid 77   and name HN  ))
      2.600     0.800     0.800 peak  1629 spectrum    1 weight  0.10000E+01 volume  0.37304E-02 ppm1      2.031 ppm2      8.007 CV     1
 ASSI { 1630}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 77   and name HN  ))
      2.800     1.000     1.000 peak  1630 spectrum    1 weight  0.10000E+01 volume  0.29462E-02 ppm1      1.912 ppm2      8.005 CV     1
 ASSI { 1631}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 74   and name HN  ))
      2.800     1.000     1.000 peak  1631 spectrum    1 weight  0.10000E+01 volume  0.24214E-02 ppm1      2.421 ppm2      7.706 CV     1
 ASSI { 1632}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 52   and name HN  ))
      3.300     1.300     1.300 peak  1632 spectrum    1 weight  0.10000E+01 volume  0.37666E-02 ppm1      2.213 ppm2      8.413 CV     1
 ASSI { 1633}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 78   and name HN  ))
      3.200     1.300     1.300 peak  1633 spectrum    1 weight  0.10000E+01 volume  0.18064E-02 ppm1      1.915 ppm2      8.276 CV     1
 ASSI { 1635}
   (( segid "    " and resid 33   and name HB1 ))
   (( segid "    " and resid 34   and name HN  ))
      3.300     1.400     1.400 peak  1635 spectrum    1 weight  0.10000E+01 volume  0.12182E-02 ppm1      1.772 ppm2      8.463 CV     1
 ASSI { 1636}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 82   and name HN  ))
      2.600     0.900     0.900 peak  1636 spectrum    1 weight  0.10000E+01 volume  0.20544E-02 ppm1      1.557 ppm2      8.284 CV     1
 ASSI { 1637}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 4    and name HN  ))
      2.500     0.800     0.800 peak  1637 spectrum    1 weight  0.10000E+01 volume  0.25525E-02 ppm1      1.602 ppm2      8.142 CV     1
 ASSI { 1639}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 83   and name HN  ))
      2.700     0.900     0.900 peak  1639 spectrum    1 weight  0.10000E+01 volume  0.11286E-02 ppm1      1.556 ppm2      7.958 CV     1
 ASSI { 1640}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 72   and name HH12))
      2.900     1.100     1.100 peak  1640 spectrum    1 weight  0.10000E+01 volume  0.27808E-02 ppm1      3.493 ppm2      6.900 CV     1
 OR { 1640}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 72   and name HH11))
 OR { 1640}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 72   and name HH22))
 ASSI { 1641}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 72   and name HH12))
      2.900     1.000     1.000 peak  1641 spectrum    1 weight  0.10000E+01 volume  0.20844E-02 ppm1      3.016 ppm2      6.897 CV     1
 OR { 1641}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 72   and name HH11))
 OR { 1641}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 72   and name HH22))
 ASSI { 1642}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 72   and name HE  ))
      2.700     0.900     0.900 peak  1642 spectrum    1 weight  0.10000E+01 volume  0.27952E-02 ppm1      3.493 ppm2      9.066 CV     1
 ASSI { 1643}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 72   and name HE  ))
      2.600     0.900     0.900 peak  1643 spectrum    1 weight  0.10000E+01 volume  0.37500E-02 ppm1      3.018 ppm2      9.064 CV     1
 ASSI { 1651}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 6    and name HN  ))
      4.200     2.200     1.800 peak  1651 spectrum    1 weight  0.10000E+01 volume  0.11594E-02 ppm1      1.587 ppm2      9.010 CV     1
 ASSI { 1652}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 53   and name HN  ))
      2.900     1.000     1.000 peak  1652 spectrum    1 weight  0.10000E+01 volume  0.11476E-02 ppm1      1.444 ppm2      8.975 CV     1
 ASSI { 1658}
   (( segid "    " and resid 11   and name HD1 ))
   (( segid "    " and resid 11   and name HG1 ))
      2.800     1.000     1.000 peak  1658 spectrum    1 weight  0.10000E+01 volume  0.28641E-02 ppm1      3.231 ppm2      1.396 CV     1
 ASSI { 1659}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 11   and name HG1 ))
      2.500     0.800     0.800 peak  1659 spectrum    1 weight  0.10000E+01 volume  0.33138E-02 ppm1      3.182 ppm2      1.399 CV     1
 ASSI { 1660}
   (( segid "    " and resid 11   and name HD1 ))
   (( segid "    " and resid 11   and name HG2 ))
      2.900     1.000     1.000 peak  1660 spectrum    1 weight  0.10000E+01 volume  0.26290E-02 ppm1      3.227 ppm2      1.150 CV     1
 ASSI { 1661}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 11   and name HG2 ))
      2.800     1.000     1.000 peak  1661 spectrum    1 weight  0.10000E+01 volume  0.27779E-02 ppm1      3.181 ppm2      1.146 CV     1
 ASSI { 1662}
   (( segid "    " and resid 55   and name HD1 ))
   (( segid "    " and resid 55   and name HB1 ))
      3.200     1.300     1.300 peak  1662 spectrum    1 weight  0.10000E+01 volume  0.10315E-02 ppm1      3.090 ppm2      1.896 CV     1
 ASSI { 1664}
   (( segid "    " and resid 55   and name HD1 ))
   (( segid "    " and resid 55   and name HB2 ))
      3.400     1.500     1.500 peak  1664 spectrum    1 weight  0.10000E+01 volume  0.91035E-03 ppm1      3.096 ppm2      1.621 CV     1
 ASSI { 1667}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 51   and name HB1 ))
      3.600     1.600     1.600 peak  1667 spectrum    1 weight  0.10000E+01 volume  0.18944E-02 ppm1      3.303 ppm2      2.192 CV     1
 ASSI { 1669}
   (( segid "    " and resid 34   and name HD2 ))
   (( segid "    " and resid 34   and name HB1 ))
      3.500     1.500     1.500 peak  1669 spectrum    1 weight  0.10000E+01 volume  0.99596E-03 ppm1      3.341 ppm2      2.167 CV     1
 ASSI { 1670}
   (( segid "    " and resid 11   and name HD1 ))
   (( segid "    " and resid 11   and name HB2 ))
      2.600     0.900     0.900 peak  1670 spectrum    1 weight  0.10000E+01 volume  0.27041E-02 ppm1      3.234 ppm2      2.058 CV     1
 OR { 1670}
   (( segid "    " and resid 11   and name HD1 ))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI { 1671}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 11   and name HB2 ))
      3.100     1.200     1.200 peak  1671 spectrum    1 weight  0.10000E+01 volume  0.25948E-02 ppm1      3.182 ppm2      2.042 CV     1
 OR { 1671}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI { 1672}
   (( segid "    " and resid 12   and name HD1 ))
   (( segid "    " and resid 12   and name HB2 ))
      3.100     1.200     1.200 peak  1672 spectrum    1 weight  0.10000E+01 volume  0.21931E-02 ppm1      3.365 ppm2      2.020 CV     1
 OR { 1672}
   (( segid "    " and resid 12   and name HD1 ))
   (( segid "    " and resid 12   and name HB1 ))
 ASSI { 1676}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 34   and name HB2 ))
      3.100     1.200     1.200 peak  1676 spectrum    1 weight  0.10000E+01 volume  0.12428E-02 ppm1      3.444 ppm2      1.852 CV     1
 ASSI { 1677}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 51   and name HG2 ))
      2.900     1.000     1.000 peak  1677 spectrum    1 weight  0.10000E+01 volume  0.30028E-02 ppm1      3.438 ppm2      1.735 CV     1
 ASSI { 1679}
   (( segid "    " and resid 12   and name HD1 ))
   (( segid "    " and resid 12   and name HG2 ))
      2.700     0.900     0.900 peak  1679 spectrum    1 weight  0.10000E+01 volume  0.32240E-02 ppm1      3.368 ppm2      1.688 CV     1
 ASSI { 1680}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 34   and name HG2 ))
      2.800     1.000     1.000 peak  1680 spectrum    1 weight  0.10000E+01 volume  0.32501E-02 ppm1      3.445 ppm2      1.628 CV     1
 ASSI { 1685}
   (( segid "    " and resid 11   and name HD1 ))
   (( segid "    " and resid 27   and name HA  ))
      3.700     1.700     1.700 peak  1685 spectrum    1 weight  0.10000E+01 volume  0.67555E-03 ppm1      3.226 ppm2      4.297 CV     1
 ASSI { 1686}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 51   and name HA  ))
      4.800     2.900     1.200 peak  1686 spectrum    1 weight  0.10000E+01 volume  0.56986E-03 ppm1      3.432 ppm2      4.236 CV     1
 ASSI { 1687}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 51   and name HA  ))
      4.800     2.900     1.200 peak  1687 spectrum    1 weight  0.10000E+01 volume  0.57323E-03 ppm1      3.300 ppm2      4.232 CV     1
 ASSI { 1688}
   (( segid "    " and resid 55   and name HD1 ))
   (( segid "    " and resid 55   and name HA  ))
      4.100     2.100     1.900 peak  1688 spectrum    1 weight  0.10000E+01 volume  0.86783E-03 ppm1      3.093 ppm2      4.096 CV     1
 ASSI { 1691}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 68   and name HA  ))
      5.100     3.300     0.900 peak  1691 spectrum    1 weight  0.10000E+01 volume  0.54106E-03 ppm1      2.877 ppm2      4.443 CV     1
 ASSI { 1692}
   (( segid "    " and resid 67   and name HD2 ))
   (( segid "    " and resid 67   and name HA  ))
      4.400     2.400     1.600 peak  1692 spectrum    1 weight  0.10000E+01 volume  0.68807E-03 ppm1      3.252 ppm2      4.627 CV     1
 OR { 1692}
   (( segid "    " and resid 67   and name HD2 ))
   (( segid "    " and resid 67   and name HA  ))
 OR { 1692}
   (( segid "    " and resid 67   and name HD1 ))
   (( segid "    " and resid 67   and name HA  ))
 OR { 1692}
   (( segid "    " and resid 67   and name HD1 ))
   (( segid "    " and resid 67   and name HA  ))
 ASSI { 1693}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 8    and name HA  ))
      4.800     2.900     1.200 peak  1693 spectrum    1 weight  0.10000E+01 volume  0.30297E-03 ppm1      3.185 ppm2      4.623 CV     1
 ASSI { 1695}
   (( segid "    " and resid 12   and name HD1 ))
   (( segid "    " and resid 9    and name HA  ))
      4.100     2.100     1.900 peak  1695 spectrum    1 weight  0.10000E+01 volume  0.41576E-03 ppm1      3.368 ppm2      4.544 CV     1
 ASSI { 1696}
   (( segid "    " and resid 12   and name HD1 ))
   (( segid "    " and resid 12   and name HA  ))
      5.000     3.200     1.000 peak  1696 spectrum    1 weight  0.10000E+01 volume  0.46244E-03 ppm1      3.365 ppm2      4.028 CV     1
 ASSI { 1700}
   (( segid "    " and resid 11   and name HD1 ))
   (( segid "    " and resid 11   and name HE  ))
      2.600     0.900     0.900 peak  1700 spectrum    1 weight  0.10000E+01 volume  0.36443E-02 ppm1      3.225 ppm2      7.313 CV     1
 ASSI { 1701}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 11   and name HE  ))
      2.700     0.900     0.900 peak  1701 spectrum    1 weight  0.10000E+01 volume  0.32718E-02 ppm1      3.182 ppm2      7.313 CV     1
 ASSI { 1702}
   (( segid "    " and resid 55   and name HD1 ))
   (  segid "    " and resid 56   and name HE% )
      3.300     1.300     1.300 peak  1702 spectrum    1 weight  0.10000E+01 volume  0.95599E-03 ppm1      3.090 ppm2      6.812 CV     1
 ASSI { 1703}
   (( segid "    " and resid 55   and name HD2 ))
   (  segid "    " and resid 56   and name HE% )
      3.700     1.700     1.700 peak  1703 spectrum    1 weight  0.10000E+01 volume  0.78331E-03 ppm1      3.013 ppm2      6.809 CV     1
 ASSI { 1704}
   (( segid "    " and resid 69   and name HB1 ))
   (( segid "    " and resid 70   and name HN  ))
      4.100     2.100     1.900 peak  1704 spectrum    1 weight  0.10000E+01 volume  0.11391E-02 ppm1      3.009 ppm2      7.473 CV     1
 ASSI { 1707}
   (( segid "    " and resid 55   and name HD2 ))
   (( segid "    " and resid 55   and name HE  ))
      3.900     1.900     1.900 peak  1707 spectrum    1 weight  0.10000E+01 volume  0.36535E-03 ppm1      3.016 ppm2      7.177 CV     1
 ASSI { 1708}
   (( segid "    " and resid 67   and name HD1 ))
   (( segid "    " and resid 67   and name HE  ))
      3.100     1.200     1.200 peak  1708 spectrum    1 weight  0.10000E+01 volume  0.14152E-02 ppm1      3.280 ppm2      7.398 CV     1
 OR { 1708}
   (( segid "    " and resid 67   and name HD2 ))
   (( segid "    " and resid 67   and name HE  ))
 ASSI { 1709}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 34   and name HE  ))
      3.000     1.200     1.200 peak  1709 spectrum    1 weight  0.10000E+01 volume  0.16429E-02 ppm1      3.446 ppm2      7.983 CV     1
 ASSI { 1711}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 51   and name HE  ))
      3.100     1.200     1.200 peak  1711 spectrum    1 weight  0.10000E+01 volume  0.13273E-02 ppm1      3.439 ppm2      7.549 CV     1
 ASSI { 1713}
   (( segid "    " and resid 12   and name HD1 ))
   (( segid "    " and resid 12   and name HE  ))
      3.500     1.500     1.500 peak  1713 spectrum    1 weight  0.10000E+01 volume  0.73632E-03 ppm1      3.369 ppm2      7.512 CV     1
 ASSI { 1717}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 69   and name HN  ))
      2.700     0.900     0.900 peak  1717 spectrum    1 weight  0.10000E+01 volume  0.20886E-02 ppm1      2.878 ppm2      9.099 CV     1
 ASSI { 1719}
   (( segid "    " and resid 66   and name HA1 ))
   (( segid "    " and resid 66   and name HN  ))
      2.500     0.800     0.800 peak  1719 spectrum    1 weight  0.10000E+01 volume  0.39792E-02 ppm1      4.115 ppm2      8.032 CV     1
 ASSI { 1721}
   (( segid "    " and resid 23   and name HA1 ))
   (( segid "    " and resid 24   and name HN  ))
      2.700     0.900     0.900 peak  1721 spectrum    1 weight  0.10000E+01 volume  0.52579E-02 ppm1      4.074 ppm2      8.132 CV     1
 OR { 1721}
   (( segid "    " and resid 23   and name HA2 ))
   (( segid "    " and resid 24   and name HN  ))
 ASSI { 1723}
   (( segid "    " and resid 66   and name HA2 ))
   (( segid "    " and resid 66   and name HN  ))
      2.900     1.000     1.000 peak  1723 spectrum    1 weight  0.10000E+01 volume  0.51108E-02 ppm1      3.889 ppm2      8.030 CV     1
 ASSI { 1727}
   (( segid "    " and resid 28   and name HA1 ))
   (( segid "    " and resid 28   and name HA2 ))
      1.700     0.400     0.500 peak  1727 spectrum    1 weight  0.10000E+01 volume  0.21195E-01 ppm1      4.248 ppm2      3.875 CV     1
 ASSI { 1728}
   (( segid "    " and resid 66   and name HA1 ))
   (( segid "    " and resid 66   and name HA2 ))
      1.700     0.400     0.500 peak  1728 spectrum    1 weight  0.10000E+01 volume  0.18845E-01 ppm1      4.116 ppm2      3.889 CV     1
 ASSI { 1733}
   (( segid "    " and resid 23   and name HA1 ))
   (( segid "    " and resid 22   and name HB1 ))
      4.100     2.100     1.900 peak  1733 spectrum    1 weight  0.10000E+01 volume  0.80853E-03 ppm1      4.074 ppm2      2.840 CV     1
 OR { 1733}
   (( segid "    " and resid 23   and name HA2 ))
   (( segid "    " and resid 22   and name HB1 ))
 OR { 1733}
   (( segid "    " and resid 23   and name HA1 ))
   (( segid "    " and resid 22   and name HB2 ))
 OR { 1733}
   (( segid "    " and resid 23   and name HA2 ))
   (( segid "    " and resid 22   and name HB2 ))
 ASSI { 1735}
   (( segid "    " and resid 23   and name HA1 ))
   (  segid "    " and resid 15   and name HG2%)
      3.700     1.700     1.700 peak  1735 spectrum    1 weight  0.10000E+01 volume  0.60868E-03 ppm1      4.074 ppm2      1.118 CV     1
 OR { 1735}
   (( segid "    " and resid 23   and name HA2 ))
   (  segid "    " and resid 15   and name HG2%)
 ASSI { 1738}
   (( segid "    " and resid 23   and name HA1 ))
   (  segid "    " and resid 26   and name HD2%)
      4.200     2.200     1.800 peak  1738 spectrum    1 weight  0.10000E+01 volume  0.38480E-03 ppm1      4.082 ppm2      0.791 CV     1
 OR { 1738}
   (( segid "    " and resid 23   and name HA2 ))
   (  segid "    " and resid 26   and name HD2%)
 ASSI { 1742}
   (( segid "    " and resid 39   and name HA1 ))
   (( segid "    " and resid 40   and name HN  ))
      3.600     1.600     1.600 peak  1742 spectrum    1 weight  0.10000E+01 volume  0.16913E-02 ppm1      4.258 ppm2      8.059 CV     1
 ASSI { 1743}
   (( segid "    " and resid 80   and name HA1 ))
   (( segid "    " and resid 80   and name HN  ))
      2.200     0.600     0.600 peak  1743 spectrum    1 weight  0.10000E+01 volume  0.11663E-01 ppm1      4.022 ppm2      8.423 CV     1
 OR { 1743}
   (( segid "    " and resid 80   and name HA2 ))
   (( segid "    " and resid 80   and name HN  ))
 ASSI { 1744}
   (( segid "    " and resid 80   and name HA1 ))
   (( segid "    " and resid 81   and name HN  ))
      2.700     0.900     0.900 peak  1744 spectrum    1 weight  0.10000E+01 volume  0.39828E-02 ppm1      4.022 ppm2      7.594 CV     1
 OR { 1744}
   (( segid "    " and resid 80   and name HA2 ))
   (( segid "    " and resid 81   and name HN  ))
 ASSI { 1748}
   (( segid "    " and resid 57   and name HA1 ))
   (( segid "    " and resid 58   and name HN  ))
      2.700     0.900     0.900 peak  1748 spectrum    1 weight  0.10000E+01 volume  0.37429E-02 ppm1      4.091 ppm2      7.524 CV     1
 OR { 1748}
   (( segid "    " and resid 57   and name HA2 ))
   (( segid "    " and resid 58   and name HN  ))
 ASSI { 1749}
   (( segid "    " and resid 57   and name HA1 ))
   (( segid "    " and resid 56   and name HN  ))
      4.600     2.600     1.400 peak  1749 spectrum    1 weight  0.10000E+01 volume  0.13055E-02 ppm1      4.090 ppm2      8.134 CV     1
 OR { 1749}
   (( segid "    " and resid 57   and name HA2 ))
   (( segid "    " and resid 56   and name HN  ))
 ASSI { 1750}
   (( segid "    " and resid 57   and name HA1 ))
   (( segid "    " and resid 57   and name HN  ))
      2.100     0.600     0.600 peak  1750 spectrum    1 weight  0.10000E+01 volume  0.12205E-01 ppm1      4.091 ppm2      7.966 CV     1
 OR { 1750}
   (( segid "    " and resid 57   and name HA2 ))
   (( segid "    " and resid 57   and name HN  ))
 ASSI { 1753}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 71   and name HG1 ))
      3.200     1.300     1.300 peak  1753 spectrum    1 weight  0.10000E+01 volume  0.21559E-02 ppm1      2.805 ppm2      2.190 CV     1
 ASSI { 1754}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 71   and name HB2 ))
      3.400     1.500     1.500 peak  1754 spectrum    1 weight  0.10000E+01 volume  0.58973E-03 ppm1      2.808 ppm2      2.016 CV     1
 ASSI { 1755}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 33   and name HB1 ))
      3.400     3.400     2.600 peak  1755 spectrum    1 weight  0.10000E+01 volume  0.35743E-03 ppm1      2.801 ppm2      1.788 CV     1
 OR { 1755}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 33   and name HG  ))
 ASSI { 1757}
   (( segid "    " and resid 71   and name HD2 ))
   (  segid "    " and resid 70   and name HG2%)
      4.000     2.000     2.000 peak  1757 spectrum    1 weight  0.10000E+01 volume  0.95250E-03 ppm1      2.805 ppm2      1.072 CV     1
 ASSI { 1760}
   (( segid "    " and resid 61   and name HD2 ))
   (  segid "    " and resid 60   and name HD1%)
      5.400     3.600     0.600 peak  1760 spectrum    1 weight  0.10000E+01 volume  0.41569E-03 ppm1      3.567 ppm2      0.844 CV     1
 ASSI { 1762}
   (( segid "    " and resid 71   and name HD1 ))
   (( segid "    " and resid 71   and name HG2 ))
      3.100     1.200     1.200 peak  1762 spectrum    1 weight  0.10000E+01 volume  0.15778E-02 ppm1      4.026 ppm2      1.317 CV     1
 ASSI { 1765}
   (( segid "    " and resid 2    and name HA  ))
   (  segid "    " and resid 2    and name HB% )
      2.400     0.700     0.700 peak  1765 spectrum    1 weight  0.10000E+01 volume  0.56054E-02 ppm1      4.282 ppm2      1.645 CV     1
 ASSI { 1766}
   (( segid "    " and resid 61   and name HD1 ))
   (( segid "    " and resid 61   and name HG1 ))
      2.300     0.700     0.700 peak  1766 spectrum    1 weight  0.10000E+01 volume  0.69374E-02 ppm1      4.011 ppm2      2.132 CV     1
 OR { 1766}
   (( segid "    " and resid 61   and name HD1 ))
   (( segid "    " and resid 61   and name HG2 ))
 ASSI { 1767}
   (( segid "    " and resid 61   and name HD2 ))
   (( segid "    " and resid 61   and name HG2 ))
      2.400     0.700     0.700 peak  1767 spectrum    1 weight  0.10000E+01 volume  0.59343E-02 ppm1      3.572 ppm2      2.135 CV     1
 OR { 1767}
   (( segid "    " and resid 61   and name HD2 ))
   (( segid "    " and resid 61   and name HG1 ))
 ASSI { 1768}
   (( segid "    " and resid 71   and name HD1 ))
   (( segid "    " and resid 71   and name HD2 ))
      1.800     0.400     0.400 peak  1768 spectrum    1 weight  0.10000E+01 volume  0.87697E-02 ppm1      4.028 ppm2      2.807 CV     1
 ASSI { 1769}
   (( segid "    " and resid 61   and name HD1 ))
   (( segid "    " and resid 61   and name HB1 ))
      4.300     2.300     1.700 peak  1769 spectrum    1 weight  0.10000E+01 volume  0.10791E-02 ppm1      4.011 ppm2      2.546 CV     1
 ASSI { 1771}
   (( segid "    " and resid 71   and name HD1 ))
   (( segid "    " and resid 31   and name HA  ))
      4.700     2.700     1.300 peak  1771 spectrum    1 weight  0.10000E+01 volume  0.63046E-03 ppm1      4.025 ppm2      3.294 CV     1
 ASSI { 1773}
   (( segid "    " and resid 61   and name HD1 ))
   (( segid "    " and resid 61   and name HD2 ))
      1.600     0.300     0.600 peak  1773 spectrum    1 weight  0.10000E+01 volume  0.20371E-01 ppm1      4.012 ppm2      3.570 CV     1
 ASSI { 1776}
   (( segid "    " and resid 71   and name HD1 ))
   (( segid "    " and resid 70   and name HA  ))
      2.400     0.700     0.700 peak  1776 spectrum    1 weight  0.10000E+01 volume  0.22604E-02 ppm1      4.023 ppm2      4.950 CV     1
 ASSI { 1777}
   (( segid "    " and resid 61   and name HD1 ))
   (( segid "    " and resid 60   and name HA  ))
      2.000     0.500     0.500 peak  1777 spectrum    1 weight  0.10000E+01 volume  0.10381E-01 ppm1      4.011 ppm2      4.657 CV     1
 ASSI { 1778}
   (( segid "    " and resid 61   and name HD2 ))
   (( segid "    " and resid 60   and name HA  ))
      2.200     0.600     0.600 peak  1778 spectrum    1 weight  0.10000E+01 volume  0.67729E-02 ppm1      3.571 ppm2      4.658 CV     1
 ASSI { 1780}
   (( segid "    " and resid 61   and name HD2 ))
   (( segid "    " and resid 61   and name HA  ))
      4.300     2.300     1.700 peak  1780 spectrum    1 weight  0.10000E+01 volume  0.47315E-03 ppm1      3.575 ppm2      4.530 CV     1
 ASSI { 1782}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 70   and name HA  ))
      2.700     0.900     0.900 peak  1782 spectrum    1 weight  0.10000E+01 volume  0.43216E-02 ppm1      2.805 ppm2      4.951 CV     1
 ASSI { 1783}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 70   and name HB  ))
      2.600     0.900     0.900 peak  1783 spectrum    1 weight  0.10000E+01 volume  0.20407E-02 ppm1      2.805 ppm2      4.624 CV     1
 ASSI { 1785}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 33   and name HN  ))
      3.400     1.500     1.500 peak  1785 spectrum    1 weight  0.10000E+01 volume  0.59082E-03 ppm1      2.807 ppm2      7.214 CV     1
 ASSI { 1787}
   (( segid "    " and resid 71   and name HD1 ))
   (( segid "    " and resid 72   and name HN  ))
      4.000     2.000     2.000 peak  1787 spectrum    1 weight  0.10000E+01 volume  0.98762E-03 ppm1      4.028 ppm2      9.000 CV     1
 ASSI { 1788}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 72   and name HN  ))
      3.400     1.400     1.400 peak  1788 spectrum    1 weight  0.10000E+01 volume  0.54987E-03 ppm1      2.806 ppm2      9.002 CV     1
 ASSI { 1792}
   (( segid "    " and resid 85   and name HA  ))
   (  segid "    " and resid 85   and name HB% )
      2.400     0.700     0.700 peak  1792 spectrum    1 weight  0.10000E+01 volume  0.80793E-02 ppm1      4.473 ppm2      1.571 CV     1
 ASSI { 1794}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HB1 ))
      2.500     0.800     0.800 peak  1794 spectrum    1 weight  0.10000E+01 volume  0.48626E-02 ppm1      4.747 ppm2      3.280 CV     1
 ASSI { 1795}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HB2 ))
      2.600     0.900     0.900 peak  1795 spectrum    1 weight  0.10000E+01 volume  0.67419E-02 ppm1      4.748 ppm2      2.845 CV     1
 ASSI { 1796}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HN  ))
      2.900     1.100     1.100 peak  1796 spectrum    1 weight  0.10000E+01 volume  0.22020E-02 ppm1      4.747 ppm2      7.964 CV     1
 ASSI { 1797}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 42   and name HN  ))
      2.300     0.700     0.700 peak  1797 spectrum    1 weight  0.10000E+01 volume  0.74596E-02 ppm1      4.749 ppm2      8.926 CV     1
 ASSI { 1798}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 40   and name HE% )
      4.300     2.300     1.700 peak  1798 spectrum    1 weight  0.10000E+01 volume  0.57895E-03 ppm1      4.365 ppm2      6.744 CV     1
 ASSI { 1799}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      2.800     1.000     1.000 peak  1799 spectrum    1 weight  0.10000E+01 volume  0.40556E-02 ppm1      4.362 ppm2      7.822 CV     1
 ASSI { 1800}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 86   and name HN  ))
      2.800     0.900     0.900 peak  1800 spectrum    1 weight  0.10000E+01 volume  0.28138E-02 ppm1      4.475 ppm2      7.957 CV     1
 ASSI { 1801}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 85   and name HN  ))
      2.800     1.000     1.000 peak  1801 spectrum    1 weight  0.10000E+01 volume  0.28947E-02 ppm1      4.474 ppm2      7.827 CV     1
 ASSI { 1809}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      3.000     1.100     1.100 peak  1809 spectrum    1 weight  0.10000E+01 volume  0.19430E-02 ppm1      4.714 ppm2      8.609 CV     1
 ASSI { 1812}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      3.400     1.400     1.400 peak  1812 spectrum    1 weight  0.10000E+01 volume  0.12596E-02 ppm1      5.046 ppm2      7.204 CV     1
 ASSI { 1813}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 70   and name HB  ))
      3.000     1.100     1.100 peak  1813 spectrum    1 weight  0.10000E+01 volume  0.19442E-02 ppm1      5.048 ppm2      4.618 CV     1
 ASSI { 1816}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB1 ))
      2.600     0.800     0.800 peak  1816 spectrum    1 weight  0.10000E+01 volume  0.66488E-02 ppm1      4.722 ppm2      2.853 CV     1
 OR { 1816}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB2 ))
 ASSI { 1820}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 26   and name HD1%)
      2.300     0.600     0.600 peak  1820 spectrum    1 weight  0.10000E+01 volume  0.91106E-02 ppm1      4.363 ppm2      0.694 CV     1
 ASSI { 1825}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HB2 ))
      2.900     1.000     1.000 peak  1825 spectrum    1 weight  0.10000E+01 volume  0.37484E-02 ppm1      4.309 ppm2      1.407 CV     1
 ASSI { 1827}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HB2 ))
      2.500     0.800     0.800 peak  1827 spectrum    1 weight  0.10000E+01 volume  0.47399E-02 ppm1      4.363 ppm2      1.228 CV     1
 ASSI { 1832}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HG  ))
      3.200     1.300     1.300 peak  1832 spectrum    1 weight  0.10000E+01 volume  0.16336E-02 ppm1      4.366 ppm2      1.573 CV     1
 ASSI { 1838}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 84   and name HG1 ))
      4.300     2.300     1.700 peak  1838 spectrum    1 weight  0.10000E+01 volume  0.41385E-03 ppm1      4.458 ppm2      2.543 CV     1
 ASSI { 1840}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 84   and name HG2 ))
      4.000     2.000     2.000 peak  1840 spectrum    1 weight  0.10000E+01 volume  0.53209E-03 ppm1      4.459 ppm2      2.478 CV     1
 ASSI { 1843}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 30   and name HB2 ))
      3.400     1.400     1.400 peak  1843 spectrum    1 weight  0.10000E+01 volume  0.13201E-02 ppm1      4.359 ppm2      3.014 CV     1
 ASSI { 1845}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 84   and name HN  ))
      3.400     1.500     1.500 peak  1845 spectrum    1 weight  0.10000E+01 volume  0.11137E-02 ppm1      4.457 ppm2      7.739 CV     1
 ASSI { 1846}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 81   and name HN  ))
      2.700     0.900     0.900 peak  1846 spectrum    1 weight  0.10000E+01 volume  0.40515E-02 ppm1      4.456 ppm2      7.592 CV     1
 ASSI { 1847}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 86   and name HN  ))
      3.200     1.300     1.300 peak  1847 spectrum    1 weight  0.10000E+01 volume  0.16472E-02 ppm1      4.224 ppm2      7.957 CV     1
 ASSI { 1848}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 83   and name HN  ))
      2.500     0.800     0.800 peak  1848 spectrum    1 weight  0.10000E+01 volume  0.53112E-02 ppm1      4.285 ppm2      7.957 CV     1
 ASSI { 1849}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 85   and name HN  ))
      4.000     2.000     2.000 peak  1849 spectrum    1 weight  0.10000E+01 volume  0.60863E-03 ppm1      4.284 ppm2      7.841 CV     1
 ASSI { 1850}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 84   and name HN  ))
      2.900     1.000     1.000 peak  1850 spectrum    1 weight  0.10000E+01 volume  0.37040E-02 ppm1      4.284 ppm2      7.742 CV     1
 ASSI { 1853}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 82   and name HN  ))
      3.500     1.500     1.500 peak  1853 spectrum    1 weight  0.10000E+01 volume  0.12333E-02 ppm1      4.454 ppm2      8.286 CV     1
 ASSI { 1854}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
      2.100     0.600     0.600 peak  1854 spectrum    1 weight  0.10000E+01 volume  0.84643E-02 ppm1      4.311 ppm2      8.458 CV     1
 ASSI { 1855}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      2.800     1.000     1.000 peak  1855 spectrum    1 weight  0.10000E+01 volume  0.27684E-02 ppm1      4.360 ppm2      8.455 CV     1
 ASSI { 1860}
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 45   and name HD2%)
      4.800     2.800     1.200 peak  1860 spectrum    1 weight  0.10000E+01 volume  0.41673E-03 ppm1      3.981 ppm2      0.357 CV     1
 ASSI { 1861}
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 45   and name HD1%)
      4.100     2.100     1.900 peak  1861 spectrum    1 weight  0.10000E+01 volume  0.53948E-03 ppm1      3.981 ppm2      0.239 CV     1
 ASSI { 1865}
   (( segid "    " and resid 5    and name HA  ))
   (  segid "    " and resid 5    and name HD2%)
      3.400     1.400     1.400 peak  1865 spectrum    1 weight  0.10000E+01 volume  0.41729E-02 ppm1      4.523 ppm2      0.636 CV     1
 OR { 1865}
   (( segid "    " and resid 5    and name HA  ))
   (  segid "    " and resid 5    and name HD1%)
 ASSI { 1866}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 5    and name HD1%)
      4.600     2.700     1.400 peak  1866 spectrum    1 weight  0.10000E+01 volume  0.40102E-03 ppm1      4.361 ppm2      0.638 CV     1
 OR { 1866}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 5    and name HD2%)
 ASSI { 1869}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 5    and name HB2 ))
      4.100     2.100     1.900 peak  1869 spectrum    1 weight  0.10000E+01 volume  0.92195E-03 ppm1      4.365 ppm2      1.349 CV     1
 ASSI { 1871}
   (( segid "    " and resid 44   and name HA  ))
   (  segid "    " and resid 44   and name HB% )
      2.300     0.700     0.700 peak  1871 spectrum    1 weight  0.10000E+01 volume  0.95925E-02 ppm1      4.310 ppm2      1.512 CV     1
 ASSI { 1872}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 50   and name HB% )
      2.300     0.600     0.600 peak  1872 spectrum    1 weight  0.10000E+01 volume  0.10135E-01 ppm1      4.260 ppm2      1.653 CV     1
 ASSI { 1873}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HB1 ))
      2.500     0.800     0.800 peak  1873 spectrum    1 weight  0.10000E+01 volume  0.50048E-02 ppm1      4.525 ppm2      1.579 CV     1
 OR { 1873}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HG  ))
 ASSI { 1874}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HB2 ))
      2.600     0.900     0.900 peak  1874 spectrum    1 weight  0.10000E+01 volume  0.33902E-02 ppm1      4.523 ppm2      1.344 CV     1
 ASSI { 1875}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 16   and name HG2 ))
      4.500     2.500     1.500 peak  1875 spectrum    1 weight  0.10000E+01 volume  0.45935E-03 ppm1      4.399 ppm2      2.391 CV     1
 ASSI { 1876}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 16   and name HB1 ))
      2.900     1.100     1.100 peak  1876 spectrum    1 weight  0.10000E+01 volume  0.21296E-02 ppm1      4.400 ppm2      2.258 CV     1
 ASSI { 1877}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
      3.200     1.300     1.300 peak  1877 spectrum    1 weight  0.10000E+01 volume  0.12643E-02 ppm1      4.403 ppm2      2.143 CV     1
 ASSI { 1880}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 47   and name HB2 ))
      3.500     1.500     1.500 peak  1880 spectrum    1 weight  0.10000E+01 volume  0.13809E-02 ppm1      4.307 ppm2      2.205 CV     1
 ASSI { 1881}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 53   and name HG1 ))
      3.100     1.200     1.200 peak  1881 spectrum    1 weight  0.10000E+01 volume  0.12100E-02 ppm1      4.257 ppm2      2.756 CV     1
 ASSI { 1883}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 53   and name HB1 ))
      3.900     1.900     1.900 peak  1883 spectrum    1 weight  0.10000E+01 volume  0.21996E-02 ppm1      4.258 ppm2      2.503 CV     1
 ASSI { 1884}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 53   and name HB2 ))
      2.500     0.800     0.800 peak  1884 spectrum    1 weight  0.10000E+01 volume  0.37772E-02 ppm1      4.258 ppm2      2.351 CV     1
 ASSI { 1885}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 47   and name HG1 ))
      4.700     2.800     1.300 peak  1885 spectrum    1 weight  0.10000E+01 volume  0.69853E-03 ppm1      4.311 ppm2      2.612 CV     1
 ASSI { 1887}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 16   and name HG1 ))
      4.500     2.500     1.500 peak  1887 spectrum    1 weight  0.10000E+01 volume  0.75527E-03 ppm1      4.401 ppm2      2.615 CV     1
 ASSI { 1889}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HB2 ))
      2.700     0.900     0.900 peak  1889 spectrum    1 weight  0.10000E+01 volume  0.81942E-02 ppm1      4.525 ppm2      2.742 CV     1
 ASSI { 1892}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 9    and name HB1 ))
      4.500     2.500     1.500 peak  1892 spectrum    1 weight  0.10000E+01 volume  0.12847E-02 ppm1      4.523 ppm2      3.038 CV     1
 ASSI { 1893}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HB1 ))
      2.500     0.800     0.800 peak  1893 spectrum    1 weight  0.10000E+01 volume  0.45786E-02 ppm1      5.269 ppm2      3.013 CV     1
 ASSI { 1894}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HB2 ))
      2.900     1.100     1.100 peak  1894 spectrum    1 weight  0.10000E+01 volume  0.48610E-02 ppm1      5.269 ppm2      2.878 CV     1
 ASSI { 1895}
   (( segid "    " and resid 69   and name HA  ))
   (  segid "    " and resid 68   and name HG2%)
      4.300     2.300     1.700 peak  1895 spectrum    1 weight  0.10000E+01 volume  0.29512E-03 ppm1      5.268 ppm2      1.212 CV     1
 ASSI { 1897}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 70   and name HN  ))
      3.400     1.400     1.400 peak  1897 spectrum    1 weight  0.10000E+01 volume  0.14709E-02 ppm1      5.269 ppm2      7.475 CV     1
 ASSI { 1898}
   (( segid "    " and resid 69   and name HA  ))
   (  segid "    " and resid 35   and name HD% )
      3.000     1.100     1.100 peak  1898 spectrum    1 weight  0.10000E+01 volume  0.14933E-02 ppm1      5.269 ppm2      7.111 CV     1
 ASSI { 1899}
   (( segid "    " and resid 69   and name HA  ))
   (  segid "    " and resid 35   and name HE% )
      4.200     2.200     1.800 peak  1899 spectrum    1 weight  0.10000E+01 volume  0.40292E-03 ppm1      5.271 ppm2      6.916 CV     1
 OR { 1899}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 35   and name HZ  ))
 ASSI { 1900}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      3.900     1.900     1.900 peak  1900 spectrum    1 weight  0.10000E+01 volume  0.52347E-03 ppm1      5.266 ppm2      8.448 CV     1
 ASSI { 1901}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HN  ))
      2.900     1.000     1.000 peak  1901 spectrum    1 weight  0.10000E+01 volume  0.25125E-02 ppm1      5.267 ppm2      9.100 CV     1
 ASSI { 1902}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 51   and name HD1 ))
      4.400     2.400     1.600 peak  1902 spectrum    1 weight  0.10000E+01 volume  0.44249E-03 ppm1      4.400 ppm2      3.441 CV     1
 ASSI { 1907}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 66   and name HN  ))
      3.200     1.300     1.300 peak  1907 spectrum    1 weight  0.10000E+01 volume  0.15660E-02 ppm1      3.982 ppm2      8.031 CV     1
 ASSI { 1909}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 68   and name HN  ))
      4.000     2.000     2.000 peak  1909 spectrum    1 weight  0.10000E+01 volume  0.50423E-03 ppm1      3.984 ppm2      7.301 CV     1
 ASSI { 1910}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      2.700     0.900     0.900 peak  1910 spectrum    1 weight  0.10000E+01 volume  0.39858E-02 ppm1      4.258 ppm2      8.226 CV     1
 ASSI { 1911}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
      3.400     1.500     1.500 peak  1911 spectrum    1 weight  0.10000E+01 volume  0.13635E-02 ppm1      4.258 ppm2      8.112 CV     1
 ASSI { 1912}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 44   and name HN  ))
      2.700     0.900     0.900 peak  1912 spectrum    1 weight  0.10000E+01 volume  0.38628E-02 ppm1      4.309 ppm2      8.137 CV     1
 ASSI { 1913}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
      3.200     1.300     1.300 peak  1913 spectrum    1 weight  0.10000E+01 volume  0.14002E-02 ppm1      4.308 ppm2      8.495 CV     1
 ASSI { 1914}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HN  ))
      2.500     0.800     0.800 peak  1914 spectrum    1 weight  0.10000E+01 volume  0.23068E-02 ppm1      4.364 ppm2      8.143 CV     1
 ASSI { 1915}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 79   and name HD21))
      2.700     0.900     0.900 peak  1915 spectrum    1 weight  0.10000E+01 volume  0.56054E-03 ppm1      4.363 ppm2      7.323 CV     1
 ASSI { 1916}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      2.900     1.000     1.000 peak  1916 spectrum    1 weight  0.10000E+01 volume  0.28226E-02 ppm1      4.402 ppm2      7.709 CV     1
 ASSI { 1917}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      3.500     1.600     1.600 peak  1917 spectrum    1 weight  0.10000E+01 volume  0.94548E-03 ppm1      4.402 ppm2      8.217 CV     1
 ASSI { 1918}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      3.900     1.900     1.900 peak  1918 spectrum    1 weight  0.10000E+01 volume  0.60541E-03 ppm1      4.400 ppm2      8.400 CV     1
 ASSI { 1919}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 64   and name HN  ))
      3.000     1.200     1.200 peak  1919 spectrum    1 weight  0.10000E+01 volume  0.22534E-02 ppm1      4.527 ppm2      7.398 CV     1
 ASSI { 1921}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HN  ))
      3.000     1.100     1.100 peak  1921 spectrum    1 weight  0.10000E+01 volume  0.22585E-02 ppm1      4.530 ppm2      8.610 CV     1
 ASSI { 1922}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      3.200     1.300     1.300 peak  1922 spectrum    1 weight  0.10000E+01 volume  0.15403E-02 ppm1      4.259 ppm2      8.974 CV     1
 ASSI { 1923}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 5    and name HN  ))
      2.000     0.500     0.500 peak  1923 spectrum    1 weight  0.10000E+01 volume  0.96437E-02 ppm1      4.363 ppm2      9.418 CV     1
 ASSI { 1924}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 6    and name HN  ))
      2.200     0.600     0.600 peak  1924 spectrum    1 weight  0.10000E+01 volume  0.10739E-01 ppm1      4.525 ppm2      9.009 CV     1
 ASSI { 1925}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HN  ))
      2.800     1.000     1.000 peak  1925 spectrum    1 weight  0.10000E+01 volume  0.17024E-02 ppm1      4.529 ppm2      9.414 CV     1
 ASSI { 1934}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HB1 ))
      2.500     0.800     0.800 peak  1934 spectrum    1 weight  0.10000E+01 volume  0.30247E-02 ppm1      4.740 ppm2      2.174 CV     1
 ASSI { 1937}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HG2 ))
      2.700     0.900     0.900 peak  1937 spectrum    1 weight  0.10000E+01 volume  0.40884E-02 ppm1      4.623 ppm2      1.746 CV     1
 OR { 1937}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HG1 ))
 ASSI { 1944}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 52   and name HB1 ))
      3.700     1.700     1.700 peak  1944 spectrum    1 weight  0.10000E+01 volume  0.26713E-02 ppm1      3.949 ppm2      2.213 CV     1
 ASSI { 1945}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 52   and name HG  ))
      3.400     1.400     1.400 peak  1945 spectrum    1 weight  0.10000E+01 volume  0.79143E-03 ppm1      3.950 ppm2      2.035 CV     1
 ASSI { 1946}
   (( segid "    " and resid 82   and name HA  ))
   (  segid "    " and resid 82   and name HD2%)
      2.100     0.500     0.500 peak  1946 spectrum    1 weight  0.10000E+01 volume  0.12984E-01 ppm1      4.211 ppm2      0.983 CV     1
 OR { 1946}
   (( segid "    " and resid 82   and name HA  ))
   (  segid "    " and resid 82   and name HD1%)
 ASSI { 1947}
   (( segid "    " and resid 82   and name HA  ))
   (  segid "    " and resid 78   and name HG2%)
      4.900     3.100     1.100 peak  1947 spectrum    1 weight  0.10000E+01 volume  0.61897E-03 ppm1      4.212 ppm2      0.874 CV     1
 ASSI { 1948}
   (( segid "    " and resid 20   and name HA  ))
   (  segid "    " and resid 21   and name HG2%)
      4.600     2.700     1.400 peak  1948 spectrum    1 weight  0.10000E+01 volume  0.48342E-03 ppm1      4.476 ppm2      1.246 CV     1
 ASSI { 1949}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HG1 ))
      3.100     1.200     1.200 peak  1949 spectrum    1 weight  0.10000E+01 volume  0.33354E-02 ppm1      4.477 ppm2      2.407 CV     1
 OR { 1949}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HG2 ))
 ASSI { 1950}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HB1 ))
      2.600     0.800     0.800 peak  1950 spectrum    1 weight  0.10000E+01 volume  0.50611E-02 ppm1      4.475 ppm2      2.234 CV     1
 ASSI { 1951}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HB2 ))
      2.800     1.000     1.000 peak  1951 spectrum    1 weight  0.10000E+01 volume  0.32267E-02 ppm1      4.475 ppm2      2.071 CV     1
 ASSI { 1954}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 84   and name HN  ))
      2.700     0.900     0.900 peak  1954 spectrum    1 weight  0.10000E+01 volume  0.39277E-02 ppm1      4.390 ppm2      7.741 CV     1
 ASSI { 1955}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 64   and name HN  ))
      3.800     1.800     1.800 peak  1955 spectrum    1 weight  0.10000E+01 volume  0.48966E-03 ppm1      4.452 ppm2      7.403 CV     1
 ASSI { 1956}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      2.800     1.000     1.000 peak  1956 spectrum    1 weight  0.10000E+01 volume  0.36685E-02 ppm1      4.475 ppm2      8.475 CV     1
 ASSI { 1958}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 83   and name HN  ))
      3.300     1.400     1.400 peak  1958 spectrum    1 weight  0.10000E+01 volume  0.15898E-02 ppm1      4.211 ppm2      7.958 CV     1
 ASSI { 1961}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      2.600     0.800     0.800 peak  1961 spectrum    1 weight  0.10000E+01 volume  0.35314E-02 ppm1      3.950 ppm2      8.758 CV     1
 ASSI { 1963}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      3.700     1.700     1.700 peak  1963 spectrum    1 weight  0.10000E+01 volume  0.62197E-03 ppm1      3.959 ppm2      8.219 CV     1
 ASSI { 1964}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 72   and name HN  ))
      3.200     1.300     1.300 peak  1964 spectrum    1 weight  0.10000E+01 volume  0.14090E-02 ppm1      3.302 ppm2      9.000 CV     1
 ASSI { 1966}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HN  ))
      2.500     0.800     0.800 peak  1966 spectrum    1 weight  0.10000E+01 volume  0.25922E-02 ppm1      3.303 ppm2      7.507 CV     1
 ASSI { 1969}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HN  ))
      2.600     0.900     0.900 peak  1969 spectrum    1 weight  0.10000E+01 volume  0.34562E-02 ppm1      3.890 ppm2      8.722 CV     1
 ASSI { 1970}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HN  ))
      2.500     0.800     0.800 peak  1970 spectrum    1 weight  0.10000E+01 volume  0.39018E-02 ppm1      3.897 ppm2      8.445 CV     1
 ASSI { 1971}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 48   and name HN  ))
      3.100     1.200     1.200 peak  1971 spectrum    1 weight  0.10000E+01 volume  0.13173E-02 ppm1      3.895 ppm2      8.310 CV     1
 ASSI { 1973}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 44   and name HN  ))
      3.300     1.300     1.300 peak  1973 spectrum    1 weight  0.10000E+01 volume  0.13040E-02 ppm1      4.270 ppm2      8.128 CV     1
 ASSI { 1975}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HN  ))
      2.600     0.900     0.900 peak  1975 spectrum    1 weight  0.10000E+01 volume  0.42960E-02 ppm1      4.274 ppm2      8.006 CV     1
 ASSI { 1976}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      2.700     0.900     0.900 peak  1976 spectrum    1 weight  0.10000E+01 volume  0.29100E-02 ppm1      4.212 ppm2      8.075 CV     1
 ASSI { 1977}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      2.700     0.900     0.900 peak  1977 spectrum    1 weight  0.10000E+01 volume  0.31345E-02 ppm1      4.406 ppm2      8.407 CV     1
 ASSI { 1978}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 41   and name HN  ))
      2.200     0.600     0.600 peak  1978 spectrum    1 weight  0.10000E+01 volume  0.12420E-01 ppm1      4.577 ppm2      7.965 CV     1
 ASSI { 1979}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      3.000     1.100     1.100 peak  1979 spectrum    1 weight  0.10000E+01 volume  0.21605E-02 ppm1      4.555 ppm2      7.894 CV     1
 ASSI { 1984}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 60   and name HN  ))
      2.900     1.100     1.100 peak  1984 spectrum    1 weight  0.10000E+01 volume  0.17458E-02 ppm1      4.654 ppm2      8.168 CV     1
 ASSI { 1985}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 40   and name HD% )
      3.600     1.600     1.600 peak  1985 spectrum    1 weight  0.10000E+01 volume  0.10997E-02 ppm1      3.898 ppm2      6.969 CV     1
 ASSI { 1986}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 40   and name HE% )
      3.100     1.200     1.200 peak  1986 spectrum    1 weight  0.10000E+01 volume  0.16677E-02 ppm1      3.896 ppm2      6.741 CV     1
 ASSI { 1989}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 72   and name HA  ))
      4.900     3.000     1.100 peak  1989 spectrum    1 weight  0.10000E+01 volume  0.36558E-03 ppm1      3.296 ppm2      3.605 CV     1
 ASSI { 1990}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 48   and name HB  ))
      2.600     0.800     0.800 peak  1990 spectrum    1 weight  0.10000E+01 volume  0.29260E-02 ppm1      3.896 ppm2      4.416 CV     1
 ASSI { 1991}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 71   and name HB1 ))
      3.600     1.600     1.600 peak  1991 spectrum    1 weight  0.10000E+01 volume  0.28964E-02 ppm1      3.301 ppm2      2.244 CV     1
 ASSI { 1992}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 71   and name HB2 ))
      2.000     0.500     0.500 peak  1992 spectrum    1 weight  0.10000E+01 volume  0.58761E-02 ppm1      3.301 ppm2      2.012 CV     1
 ASSI { 1993}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HB1 ))
      2.500     0.800     0.800 peak  1993 spectrum    1 weight  0.10000E+01 volume  0.25622E-02 ppm1      3.300 ppm2      1.639 CV     1
 ASSI { 1994}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 71   and name HG2 ))
      3.000     1.100     1.100 peak  1994 spectrum    1 weight  0.10000E+01 volume  0.83701E-03 ppm1      3.303 ppm2      1.336 CV     1
 ASSI { 1996}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HG  ))
      3.700     1.700     1.700 peak  1996 spectrum    1 weight  0.10000E+01 volume  0.16137E-02 ppm1      3.302 ppm2      1.185 CV     1
 ASSI { 1997}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HB2 ))
      2.800     1.000     1.000 peak  1997 spectrum    1 weight  0.10000E+01 volume  0.31895E-02 ppm1      3.301 ppm2      1.026 CV     1
 ASSI { 1999}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 31   and name HD2%)
      3.400     1.500     1.500 peak  1999 spectrum    1 weight  0.10000E+01 volume  0.10769E-02 ppm1      3.302 ppm2      0.775 CV     1
 ASSI { 2000}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HB1 ))
      3.000     1.200     1.200 peak  2000 spectrum    1 weight  0.10000E+01 volume  0.28627E-02 ppm1      3.888 ppm2      2.196 CV     1
 ASSI { 2002}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HG  ))
      3.000     1.100     1.100 peak  2002 spectrum    1 weight  0.10000E+01 volume  0.29185E-02 ppm1      3.887 ppm2      1.686 CV     1
 ASSI { 2007}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 5    and name HD1%)
      3.600     1.600     1.600 peak  2007 spectrum    1 weight  0.10000E+01 volume  0.19420E-02 ppm1      3.887 ppm2      0.615 CV     1
 ASSI { 2008}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HB1 ))
      2.300     0.600     0.600 peak  2008 spectrum    1 weight  0.10000E+01 volume  0.49431E-02 ppm1      3.895 ppm2      1.651 CV     1
 ASSI { 2009}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HG  ))
      3.200     1.300     1.300 peak  2009 spectrum    1 weight  0.10000E+01 volume  0.18043E-02 ppm1      3.895 ppm2      1.352 CV     1
 ASSI { 2013}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 45   and name HD1%)
      3.500     1.600     1.600 peak  2013 spectrum    1 weight  0.10000E+01 volume  0.40021E-02 ppm1      3.896 ppm2      0.238 CV     1
 ASSI { 2015}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      3.300     1.400     1.400 peak  2015 spectrum    1 weight  0.10000E+01 volume  0.93622E-03 ppm1      4.264 ppm2      8.761 CV     1
 ASSI { 2018}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      3.300     1.300     1.300 peak  2018 spectrum    1 weight  0.10000E+01 volume  0.12108E-02 ppm1      4.314 ppm2      8.979 CV     1
 ASSI { 2019}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 79   and name HN  ))
      3.900     1.900     1.900 peak  2019 spectrum    1 weight  0.10000E+01 volume  0.58314E-03 ppm1      3.885 ppm2      8.868 CV     1
 ASSI { 2020}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 79   and name HN  ))
      3.200     1.300     1.300 peak  2020 spectrum    1 weight  0.10000E+01 volume  0.11772E-02 ppm1      4.485 ppm2      8.878 CV     1
 ASSI { 2022}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 80   and name HN  ))
      3.600     1.600     1.600 peak  2022 spectrum    1 weight  0.10000E+01 volume  0.75816E-03 ppm1      4.486 ppm2      8.425 CV     1
 ASSI { 2025}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
      2.700     0.900     0.900 peak  2025 spectrum    1 weight  0.10000E+01 volume  0.26205E-02 ppm1      4.309 ppm2      7.707 CV     1
 ASSI { 2026}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HN  ))
      2.600     0.900     0.900 peak  2026 spectrum    1 weight  0.10000E+01 volume  0.33215E-02 ppm1      4.274 ppm2      7.793 CV     1
 ASSI { 2027}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      3.200     1.300     1.300 peak  2027 spectrum    1 weight  0.10000E+01 volume  0.13907E-02 ppm1      4.212 ppm2      7.707 CV     1
 ASSI { 2028}
   (( segid "    " and resid 52   and name HA  ))
   (  segid "    " and resid 56   and name HD% )
      2.600     0.900     0.900 peak  2028 spectrum    1 weight  0.10000E+01 volume  0.31165E-02 ppm1      4.313 ppm2      7.439 CV     1
 ASSI { 2030}
   (( segid "    " and resid 52   and name HA  ))
   (  segid "    " and resid 56   and name HE% )
      3.700     1.700     1.700 peak  2030 spectrum    1 weight  0.10000E+01 volume  0.84577E-03 ppm1      4.312 ppm2      6.807 CV     1
 ASSI { 2032}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 79   and name HB1 ))
      3.900     1.900     1.900 peak  2032 spectrum    1 weight  0.10000E+01 volume  0.20634E-02 ppm1      4.487 ppm2      3.089 CV     1
 ASSI { 2037}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HB1 ))
      3.000     1.100     1.100 peak  2037 spectrum    1 weight  0.10000E+01 volume  0.26163E-02 ppm1      4.211 ppm2      2.335 CV     1
 ASSI { 2041}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HB1 ))
      2.600     0.800     0.800 peak  2041 spectrum    1 weight  0.10000E+01 volume  0.61418E-02 ppm1      4.276 ppm2      2.032 CV     1
 ASSI { 2042}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB1 ))
      3.000     1.100     1.100 peak  2042 spectrum    1 weight  0.10000E+01 volume  0.27531E-02 ppm1      4.404 ppm2      1.989 CV     1
 ASSI { 2051}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HG  ))
      3.100     1.200     1.200 peak  2051 spectrum    1 weight  0.10000E+01 volume  0.20164E-02 ppm1      4.210 ppm2      1.889 CV     1
 ASSI { 2055}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HB2 ))
      2.700     0.900     0.900 peak  2055 spectrum    1 weight  0.10000E+01 volume  0.42225E-02 ppm1      4.314 ppm2      1.442 CV     1
 ASSI { 2064}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB2 ))
      2.500     0.800     0.800 peak  2064 spectrum    1 weight  0.10000E+01 volume  0.31902E-02 ppm1      4.404 ppm2      1.438 CV     1
 ASSI { 2065}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HG  ))
      3.000     1.100     1.100 peak  2065 spectrum    1 weight  0.10000E+01 volume  0.21578E-02 ppm1      4.402 ppm2      1.883 CV     1
 ASSI { 2067}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 14   and name HD2%)
      4.300     2.300     1.700 peak  2067 spectrum    1 weight  0.10000E+01 volume  0.13283E-02 ppm1      4.405 ppm2      0.888 CV     1
 ASSI { 2077}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 5    and name HD2%)
      3.300     1.400     1.400 peak  2077 spectrum    1 weight  0.10000E+01 volume  0.13703E-02 ppm1      4.209 ppm2      0.638 CV     1
 OR { 2077}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 5    and name HD1%)
 ASSI { 2081}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
      2.900     1.000     1.000 peak  2081 spectrum    1 weight  0.10000E+01 volume  0.25333E-02 ppm1      4.580 ppm2      8.069 CV     1
 ASSI { 2082}
   (( segid "    " and resid 40   and name HA  ))
   (  segid "    " and resid 40   and name HD% )
      2.900     1.100     1.100 peak  2082 spectrum    1 weight  0.10000E+01 volume  0.23155E-02 ppm1      4.578 ppm2      6.970 CV     1
 ASSI { 2083}
   (( segid "    " and resid 30   and name HA  ))
   (  segid "    " and resid 30   and name HD% )
      3.900     1.900     1.900 peak  2083 spectrum    1 weight  0.10000E+01 volume  0.15146E-02 ppm1      4.745 ppm2      7.299 CV     1
 ASSI { 2087}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HB1 ))
      2.500     0.800     0.800 peak  2087 spectrum    1 weight  0.10000E+01 volume  0.50004E-02 ppm1      4.740 ppm2      3.288 CV     1
 ASSI { 2088}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HB1 ))
      2.700     0.900     0.900 peak  2088 spectrum    1 weight  0.10000E+01 volume  0.27891E-02 ppm1      4.581 ppm2      3.008 CV     1
 ASSI { 2089}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HB1 ))
      2.800     1.000     1.000 peak  2089 spectrum    1 weight  0.10000E+01 volume  0.26733E-02 ppm1      4.553 ppm2      3.041 CV     1
 ASSI { 2090}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HB1 ))
      2.400     0.700     0.700 peak  2090 spectrum    1 weight  0.10000E+01 volume  0.79649E-02 ppm1      4.626 ppm2      2.713 CV     1
 OR { 2090}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HB2 ))
 ASSI { 2091}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HB2 ))
      2.500     0.800     0.800 peak  2091 spectrum    1 weight  0.10000E+01 volume  0.48492E-02 ppm1      4.577 ppm2      2.800 CV     1
 ASSI { 2092}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 11   and name HB1 ))
      2.500     0.800     0.800 peak  2092 spectrum    1 weight  0.10000E+01 volume  0.42760E-02 ppm1      4.619 ppm2      2.047 CV     1
 OR { 2092}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
 ASSI { 2095}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 33   and name HG  ))
      3.000     1.100     1.100 peak  2095 spectrum    1 weight  0.10000E+01 volume  0.37620E-02 ppm1      4.744 ppm2      1.783 CV     1
 OR { 2095}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 33   and name HB1 ))
 ASSI { 2096}
   (( segid "    " and resid 30   and name HA  ))
   (  segid "    " and resid 33   and name HD2%)
      2.700     0.900     0.900 peak  2096 spectrum    1 weight  0.10000E+01 volume  0.39567E-02 ppm1      4.743 ppm2      1.064 CV     1
 ASSI { 2104}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HN  ))
      2.700     0.900     0.900 peak  2104 spectrum    1 weight  0.10000E+01 volume  0.38020E-02 ppm1      4.363 ppm2      9.565 CV     1
 ASSI { 2105}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 28   and name HN  ))
      2.400     0.700     0.700 peak  2105 spectrum    1 weight  0.10000E+01 volume  0.52709E-02 ppm1      4.302 ppm2      8.564 CV     1
 ASSI { 2106}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 59   and name HN  ))
      2.100     0.600     0.600 peak  2106 spectrum    1 weight  0.10000E+01 volume  0.12030E-01 ppm1      4.684 ppm2      8.483 CV     1
 ASSI { 2109}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      2.600     0.800     0.800 peak  2109 spectrum    1 weight  0.10000E+01 volume  0.41377E-02 ppm1      4.029 ppm2      7.978 CV     1
 ASSI { 2110}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HN  ))
      2.600     0.900     0.900 peak  2110 spectrum    1 weight  0.10000E+01 volume  0.44243E-02 ppm1      4.093 ppm2      8.083 CV     1
 ASSI { 2111}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      3.400     1.400     1.400 peak  2111 spectrum    1 weight  0.10000E+01 volume  0.10671E-02 ppm1      4.030 ppm2      8.468 CV     1
 ASSI { 2114}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
      2.800     1.000     1.000 peak  2114 spectrum    1 weight  0.10000E+01 volume  0.30666E-02 ppm1      4.302 ppm2      8.213 CV     1
 ASSI { 2115}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
      3.200     1.300     1.300 peak  2115 spectrum    1 weight  0.10000E+01 volume  0.11366E-02 ppm1      4.366 ppm2      8.053 CV     1
 ASSI { 2117}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 37   and name HN  ))
      3.400     1.400     1.400 peak  2117 spectrum    1 weight  0.10000E+01 volume  0.12107E-02 ppm1      4.366 ppm2      7.554 CV     1
 ASSI { 2118}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HN  ))
      3.000     1.100     1.100 peak  2118 spectrum    1 weight  0.10000E+01 volume  0.21433E-02 ppm1      4.673 ppm2      8.134 CV     1
 ASSI { 2120}
   (( segid "    " and resid 56   and name HA  ))
   (  segid "    " and resid 56   and name HD% )
      2.800     1.000     1.000 peak  2120 spectrum    1 weight  0.10000E+01 volume  0.33797E-02 ppm1      4.681 ppm2      7.437 CV     1
 ASSI { 2121}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      3.300     1.400     1.400 peak  2121 spectrum    1 weight  0.10000E+01 volume  0.13644E-02 ppm1      4.030 ppm2      7.705 CV     1
 ASSI { 2122}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
      3.300     1.400     1.400 peak  2122 spectrum    1 weight  0.10000E+01 volume  0.13502E-02 ppm1      4.238 ppm2      7.707 CV     1
 ASSI { 2125}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB1 ))
      2.900     1.000     1.000 peak  2125 spectrum    1 weight  0.10000E+01 volume  0.36986E-02 ppm1      4.566 ppm2      4.144 CV     1
 ASSI { 2128}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HD2 ))
      5.000     3.100     1.000 peak  2128 spectrum    1 weight  0.10000E+01 volume  0.49703E-03 ppm1      4.028 ppm2      3.336 CV     1
 OR { 2128}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HD1 ))
 ASSI { 2129}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HD2 ))
      4.300     2.400     1.700 peak  2129 spectrum    1 weight  0.10000E+01 volume  0.88612E-03 ppm1      4.096 ppm2      3.016 CV     1
 ASSI { 2130}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 15   and name HB  ))
      2.600     0.800     0.800 peak  2130 spectrum    1 weight  0.10000E+01 volume  0.40925E-02 ppm1      4.028 ppm2      2.271 CV     1
 ASSI { 2134}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HB1 ))
      2.500     0.800     0.800 peak  2134 spectrum    1 weight  0.10000E+01 volume  0.63035E-02 ppm1      4.363 ppm2      2.254 CV     1
 ASSI { 2136}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HG1 ))
      3.100     1.200     1.200 peak  2136 spectrum    1 weight  0.10000E+01 volume  0.25864E-02 ppm1      4.029 ppm2      1.921 CV     1
 ASSI { 2137}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HG2 ))
      2.700     0.900     0.900 peak  2137 spectrum    1 weight  0.10000E+01 volume  0.35728E-02 ppm1      4.028 ppm2      1.687 CV     1
 ASSI { 2138}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HB1 ))
      2.600     0.900     0.900 peak  2138 spectrum    1 weight  0.10000E+01 volume  0.61086E-02 ppm1      4.094 ppm2      1.894 CV     1
 ASSI { 2140}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HG2 ))
      2.900     1.100     1.100 peak  2140 spectrum    1 weight  0.10000E+01 volume  0.33004E-02 ppm1      4.240 ppm2      1.742 CV     1
 ASSI { 2142}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HB2 ))
      2.600     0.900     0.900 peak  2142 spectrum    1 weight  0.10000E+01 volume  0.53699E-02 ppm1      4.239 ppm2      2.016 CV     1
 ASSI { 2144}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HB2 ))
      2.600     0.800     0.800 peak  2144 spectrum    1 weight  0.10000E+01 volume  0.55428E-02 ppm1      4.364 ppm2      2.133 CV     1
 ASSI { 2145}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HG1 ))
      2.700     0.900     0.900 peak  2145 spectrum    1 weight  0.10000E+01 volume  0.30181E-02 ppm1      4.096 ppm2      1.358 CV     1
 ASSI { 2147}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 15   and name HG2%)
      2.800     1.000     1.000 peak  2147 spectrum    1 weight  0.10000E+01 volume  0.40619E-02 ppm1      4.029 ppm2      1.116 CV     1
 ASSI { 2148}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 15   and name HG1%)
      4.300     2.300     1.700 peak  2148 spectrum    1 weight  0.10000E+01 volume  0.83918E-03 ppm1      4.027 ppm2      1.031 CV     1
 ASSI { 2149}
   (( segid "    " and resid 16   and name HA  ))
   (  segid "    " and resid 15   and name HG1%)
      3.300     1.400     1.400 peak  2149 spectrum    1 weight  0.10000E+01 volume  0.14007E-02 ppm1      4.203 ppm2      1.043 CV     1
 ASSI { 2153}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      2.700     0.900     0.900 peak  2153 spectrum    1 weight  0.10000E+01 volume  0.32785E-02 ppm1      3.517 ppm2      8.834 CV     1
 ASSI { 2155}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      3.500     1.500     1.500 peak  2155 spectrum    1 weight  0.10000E+01 volume  0.11937E-02 ppm1      3.518 ppm2      7.980 CV     1
 ASSI { 2156}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HN  ))
      2.800     1.000     1.000 peak  2156 spectrum    1 weight  0.10000E+01 volume  0.26688E-02 ppm1      3.608 ppm2      9.002 CV     1
 ASSI { 2159}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      2.500     0.800     0.800 peak  2159 spectrum    1 weight  0.10000E+01 volume  0.36373E-02 ppm1      4.090 ppm2      8.976 CV     1
 ASSI { 2160}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HN  ))
      2.600     0.800     0.800 peak  2160 spectrum    1 weight  0.10000E+01 volume  0.42852E-02 ppm1      4.269 ppm2      8.922 CV     1
 ASSI { 2161}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HN  ))
      2.600     0.800     0.800 peak  2161 spectrum    1 weight  0.10000E+01 volume  0.51410E-02 ppm1      4.383 ppm2      8.036 CV     1
 ASSI { 2162}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 7    and name HN  ))
      2.800     0.900     0.900 peak  2162 spectrum    1 weight  0.10000E+01 volume  0.35455E-02 ppm1      4.770 ppm2      8.845 CV     1
 ASSI { 2163}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 56   and name HN  ))
      3.500     1.600     1.600 peak  2163 spectrum    1 weight  0.10000E+01 volume  0.67245E-03 ppm1      4.091 ppm2      8.128 CV     1
 ASSI { 2164}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 54   and name HN  ))
      3.200     1.300     1.300 peak  2164 spectrum    1 weight  0.10000E+01 volume  0.13671E-02 ppm1      4.090 ppm2      8.019 CV     1
 ASSI { 2165}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 58   and name HN  ))
      2.700     0.900     0.900 peak  2165 spectrum    1 weight  0.10000E+01 volume  0.24260E-02 ppm1      4.090 ppm2      7.521 CV     1
 ASSI { 2166}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 45   and name HN  ))
      3.300     1.400     1.400 peak  2166 spectrum    1 weight  0.10000E+01 volume  0.17890E-02 ppm1      4.271 ppm2      8.446 CV     1
 ASSI { 2167}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      4.100     2.100     1.900 peak  2167 spectrum    1 weight  0.10000E+01 volume  0.72815E-03 ppm1      4.268 ppm2      8.226 CV     1
 ASSI { 2169}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 43   and name HN  ))
      3.400     1.500     1.500 peak  2169 spectrum    1 weight  0.10000E+01 volume  0.10722E-02 ppm1      4.265 ppm2      7.792 CV     1
 ASSI { 2171}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 30   and name HE% )
      4.000     2.000     2.000 peak  2171 spectrum    1 weight  0.10000E+01 volume  0.71029E-03 ppm1      3.518 ppm2      7.214 CV     1
 ASSI { 2177}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
      2.500     0.800     0.800 peak  2177 spectrum    1 weight  0.10000E+01 volume  0.44565E-02 ppm1      3.517 ppm2      2.031 CV     1
 OR { 2177}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI { 2179}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HB1 ))
      2.700     0.900     0.900 peak  2179 spectrum    1 weight  0.10000E+01 volume  0.34278E-02 ppm1      3.609 ppm2      1.861 CV     1
 ASSI { 2180}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 31   and name HB1 ))
      2.500     0.800     0.800 peak  2180 spectrum    1 weight  0.10000E+01 volume  0.44745E-02 ppm1      3.608 ppm2      1.637 CV     1
 ASSI { 2183}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 31   and name HB2 ))
      4.200     2.200     1.800 peak  2183 spectrum    1 weight  0.10000E+01 volume  0.13398E-02 ppm1      3.607 ppm2      1.025 CV     1
 ASSI { 2186}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 45   and name HG  ))
      2.800     1.000     1.000 peak  2186 spectrum    1 weight  0.10000E+01 volume  0.19542E-02 ppm1      4.270 ppm2      1.377 CV     1
 ASSI { 2188}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HB1 ))
      2.400     0.700     0.700 peak  2188 spectrum    1 weight  0.10000E+01 volume  0.43964E-02 ppm1      4.090 ppm2      2.506 CV     1
 ASSI { 2189}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HG2 ))
      2.400     0.700     0.700 peak  2189 spectrum    1 weight  0.10000E+01 volume  0.59153E-02 ppm1      4.090 ppm2      2.334 CV     1
 OR { 2189}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HB2 ))
 ASSI { 2190}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 45   and name HB1 ))
      4.600     2.600     1.400 peak  2190 spectrum    1 weight  0.10000E+01 volume  0.87948E-03 ppm1      4.263 ppm2      1.636 CV     1
 ASSI { 2198}
   (( segid "    " and resid 42   and name HA  ))
   (  segid "    " and resid 45   and name HD2%)
      4.000     2.000     2.000 peak  2198 spectrum    1 weight  0.10000E+01 volume  0.17054E-02 ppm1      4.268 ppm2      0.356 CV     1
 ASSI { 2202}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 11   and name HD1 ))
      3.100     1.200     1.200 peak  2202 spectrum    1 weight  0.10000E+01 volume  0.15635E-02 ppm1      4.302 ppm2      3.192 CV     1
 OR { 2202}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 11   and name HD2 ))
 ASSI { 2203}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HB1 ))
      2.100     0.600     0.600 peak  2203 spectrum    1 weight  0.10000E+01 volume  0.14842E-01 ppm1      4.301 ppm2      4.017 CV     1
 ASSI { 2204}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
      2.400     0.700     0.700 peak  2204 spectrum    1 weight  0.10000E+01 volume  0.84087E-02 ppm1      4.512 ppm2      8.488 CV     1
 ASSI { 2205}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      3.000     1.100     1.100 peak  2205 spectrum    1 weight  0.10000E+01 volume  0.22527E-02 ppm1      4.512 ppm2      8.244 CV     1
 ASSI { 2207}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 69   and name HN  ))
      2.100     0.500     0.500 peak  2207 spectrum    1 weight  0.10000E+01 volume  0.97112E-02 ppm1      4.445 ppm2      9.100 CV     1
 ASSI { 2210}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 68   and name HN  ))
      2.600     0.800     0.800 peak  2210 spectrum    1 weight  0.10000E+01 volume  0.27276E-02 ppm1      4.444 ppm2      7.307 CV     1
 ASSI { 2211}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 69   and name HA  ))
      4.400     2.400     1.600 peak  2211 spectrum    1 weight  0.10000E+01 volume  0.69711E-03 ppm1      4.445 ppm2      5.263 CV     1
 ASSI { 2212}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 69   and name HB1 ))
      5.200     3.400     0.800 peak  2212 spectrum    1 weight  0.10000E+01 volume  0.10114E-02 ppm1      4.448 ppm2      3.015 CV     1
 ASSI { 2213}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 68   and name HB  ))
      2.200     0.600     0.600 peak  2213 spectrum    1 weight  0.10000E+01 volume  0.63939E-02 ppm1      4.445 ppm2      2.411 CV     1
 ASSI { 2214}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 73   and name HB2 ))
      3.000     1.100     1.100 peak  2214 spectrum    1 weight  0.10000E+01 volume  0.14760E-02 ppm1      4.443 ppm2      2.274 CV     1
 ASSI { 2217}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 21   and name HG2%)
      2.600     0.900     0.900 peak  2217 spectrum    1 weight  0.10000E+01 volume  0.64097E-02 ppm1      4.513 ppm2      1.242 CV     1
 ASSI { 2219}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HG12))
      3.900     1.900     1.900 peak  2219 spectrum    1 weight  0.10000E+01 volume  0.76458E-03 ppm1      4.663 ppm2      1.544 CV     1
 ASSI { 2220}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 36   and name HN  ))
      3.600     1.600     1.600 peak  2220 spectrum    1 weight  0.10000E+01 volume  0.60601E-03 ppm1      4.374 ppm2      9.564 CV     1
 ASSI { 2221}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 62   and name HN  ))
      2.100     0.500     0.500 peak  2221 spectrum    1 weight  0.10000E+01 volume  0.13925E-01 ppm1      4.529 ppm2      8.832 CV     1
 ASSI { 2223}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      2.300     0.600     0.600 peak  2223 spectrum    1 weight  0.10000E+01 volume  0.10431E-01 ppm1      4.330 ppm2      8.603 CV     1
 ASSI { 2224}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      2.700     0.900     0.900 peak  2224 spectrum    1 weight  0.10000E+01 volume  0.20605E-02 ppm1      4.373 ppm2      8.452 CV     1
 ASSI { 2225}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 54   and name HN  ))
      2.400     0.700     0.700 peak  2225 spectrum    1 weight  0.10000E+01 volume  0.74046E-02 ppm1      4.109 ppm2      8.040 CV     1
 OR { 2225}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 54   and name HN  ))
 ASSI { 2229}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 4    and name HN  ))
      1.800     0.400     0.400 peak  2229 spectrum    1 weight  0.10000E+01 volume  0.17274E-01 ppm1      4.393 ppm2      8.144 CV     1
 ASSI { 2230}
   (( segid "    " and resid 35   and name HA  ))
   (  segid "    " and resid 35   and name HD% )
      2.400     0.700     0.700 peak  2230 spectrum    1 weight  0.10000E+01 volume  0.52851E-02 ppm1      4.373 ppm2      7.113 CV     1
 ASSI { 2232}
   (( segid "    " and resid 35   and name HA  ))
   (  segid "    " and resid 35   and name HE% )
      4.300     2.300     1.700 peak  2232 spectrum    1 weight  0.10000E+01 volume  0.64370E-03 ppm1      4.370 ppm2      6.933 CV     1
 ASSI { 2234}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 54   and name HA  ))
      2.200     0.600     0.600 peak  2234 spectrum    1 weight  0.10000E+01 volume  0.14565E-01 ppm1      4.105 ppm2      4.381 CV     1
 OR { 2234}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 54   and name HA  ))
 ASSI { 2235}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HB  ))
      2.400     0.700     0.700 peak  2235 spectrum    1 weight  0.10000E+01 volume  0.63253E-02 ppm1      4.330 ppm2      4.218 CV     1
 ASSI { 2238}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HD1 ))
      3.600     1.600     1.600 peak  2238 spectrum    1 weight  0.10000E+01 volume  0.91988E-03 ppm1      4.527 ppm2      4.017 CV     1
 ASSI { 2239}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HB1 ))
      2.400     0.700     0.700 peak  2239 spectrum    1 weight  0.10000E+01 volume  0.31218E-02 ppm1      4.371 ppm2      3.591 CV     1
 ASSI { 2240}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HB2 ))
      2.900     1.100     1.100 peak  2240 spectrum    1 weight  0.10000E+01 volume  0.27238E-02 ppm1      4.373 ppm2      3.083 CV     1
 ASSI { 2244}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 38   and name HG11))
      3.100     1.200     1.200 peak  2244 spectrum    1 weight  0.10000E+01 volume  0.33498E-02 ppm1      4.373 ppm2      1.823 CV     1
 ASSI { 2251}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 4    and name HG  ))
      4.200     2.200     1.800 peak  2251 spectrum    1 weight  0.10000E+01 volume  0.12157E-02 ppm1      4.393 ppm2      1.705 CV     1
 ASSI { 2254}
   (( segid "    " and resid 35   and name HA  ))
   (  segid "    " and resid 38   and name HG2%)
      4.200     2.300     1.800 peak  2254 spectrum    1 weight  0.10000E+01 volume  0.10050E-02 ppm1      4.365 ppm2      1.060 CV     1
 ASSI { 2255}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 25   and name HB1 ))
      5.200     3.400     0.800 peak  2255 spectrum    1 weight  0.10000E+01 volume  0.27232E-03 ppm1      4.331 ppm2      2.881 CV     1
 ASSI { 2256}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 40   and name HB2 ))
      3.400     1.500     1.500 peak  2256 spectrum    1 weight  0.10000E+01 volume  0.69635E-03 ppm1      4.371 ppm2      2.796 CV     1
 ASSI { 2260}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 37   and name HN  ))
      4.000     2.000     2.000 peak  2260 spectrum    1 weight  0.10000E+01 volume  0.58336E-03 ppm1      4.373 ppm2      7.553 CV     1
 ASSI { 2261}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 27   and name HN  ))
      3.000     1.100     1.100 peak  2261 spectrum    1 weight  0.10000E+01 volume  0.26689E-02 ppm1      4.032 ppm2      8.218 CV     1
 ASSI { 2264}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 28   and name HN  ))
      3.600     1.600     1.600 peak  2264 spectrum    1 weight  0.10000E+01 volume  0.13868E-02 ppm1      3.975 ppm2      8.565 CV     1
 ASSI { 2265}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 59   and name HN  ))
      2.800     1.000     1.000 peak  2265 spectrum    1 weight  0.10000E+01 volume  0.29386E-02 ppm1      3.798 ppm2      8.483 CV     1
 ASSI { 2266}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 59   and name HN  ))
      2.800     1.000     1.000 peak  2266 spectrum    1 weight  0.10000E+01 volume  0.35211E-02 ppm1      3.751 ppm2      8.483 CV     1
 ASSI { 2269}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 60   and name HN  ))
      3.900     1.900     1.900 peak  2269 spectrum    1 weight  0.10000E+01 volume  0.11649E-02 ppm1      3.752 ppm2      8.172 CV     1
 ASSI { 2270}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 60   and name HN  ))
      4.000     2.000     2.000 peak  2270 spectrum    1 weight  0.10000E+01 volume  0.11460E-02 ppm1      3.801 ppm2      8.173 CV     1
 ASSI { 2274}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 40   and name HE% )
      4.400     2.400     1.600 peak  2274 spectrum    1 weight  0.10000E+01 volume  0.39962E-03 ppm1      4.055 ppm2      6.740 CV     1
 ASSI { 2275}
   (( segid "    " and resid 17   and name HB1 ))
   (  segid "    " and resid 40   and name HE% )
      4.400     2.400     1.600 peak  2275 spectrum    1 weight  0.10000E+01 volume  0.29683E-03 ppm1      4.140 ppm2      6.738 CV     1
 ASSI { 2276}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 59   and name HA  ))
      2.700     0.900     0.900 peak  2276 spectrum    1 weight  0.10000E+01 volume  0.37706E-02 ppm1      3.798 ppm2      4.837 CV     1
 ASSI { 2277}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 59   and name HA  ))
      2.700     0.900     0.900 peak  2277 spectrum    1 weight  0.10000E+01 volume  0.33439E-02 ppm1      3.750 ppm2      4.836 CV     1
 ASSI { 2279}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HA  ))
      2.300     0.700     0.700 peak  2279 spectrum    1 weight  0.10000E+01 volume  0.98191E-02 ppm1      3.975 ppm2      4.299 CV     1
 ASSI { 2282}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 47   and name HB1 ))
      4.300     2.300     1.700 peak  2282 spectrum    1 weight  0.10000E+01 volume  0.33384E-03 ppm1      4.145 ppm2      2.341 CV     1
 ASSI { 2283}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 47   and name HB1 ))
      3.800     1.800     1.800 peak  2283 spectrum    1 weight  0.10000E+01 volume  0.43348E-03 ppm1      4.053 ppm2      2.341 CV     1
 ASSI { 2289}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 67   and name HB2 ))
      3.000     1.100     1.100 peak  2289 spectrum    1 weight  0.10000E+01 volume  0.15420E-02 ppm1      3.820 ppm2      1.860 CV     1
 ASSI { 2290}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HB  ))
      2.700     0.900     0.900 peak  2290 spectrum    1 weight  0.10000E+01 volume  0.33754E-02 ppm1      3.741 ppm2      1.937 CV     1
 ASSI { 2292}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HG11))
      3.400     1.400     1.400 peak  2292 spectrum    1 weight  0.10000E+01 volume  0.28113E-02 ppm1      3.740 ppm2      1.727 CV     1
 ASSI { 2299}
   (( segid "    " and resid 64   and name HA  ))
   (  segid "    " and resid 64   and name HG2%)
      2.300     0.600     0.600 peak  2299 spectrum    1 weight  0.10000E+01 volume  0.10091E-01 ppm1      3.820 ppm2      1.013 CV     1
 ASSI { 2301}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 15   and name HG1%)
      2.400     0.700     0.700 peak  2301 spectrum    1 weight  0.10000E+01 volume  0.75206E-02 ppm1      3.929 ppm2      1.038 CV     1
 ASSI { 2302}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 26   and name HD2%)
      3.600     1.600     1.600 peak  2302 spectrum    1 weight  0.10000E+01 volume  0.97875E-03 ppm1      3.930 ppm2      0.797 CV     1
 ASSI { 2303}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 74   and name HB2 ))
      2.900     1.000     1.000 peak  2303 spectrum    1 weight  0.10000E+01 volume  0.25074E-02 ppm1      4.229 ppm2      1.692 CV     1
 ASSI { 2305}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HG2 ))
      3.600     1.600     1.600 peak  2305 spectrum    1 weight  0.10000E+01 volume  0.20100E-02 ppm1      4.228 ppm2      1.323 CV     1
 ASSI { 2308}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 74   and name HG  ))
      4.000     2.000     2.000 peak  2308 spectrum    1 weight  0.10000E+01 volume  0.14306E-02 ppm1      4.227 ppm2      0.981 CV     1
 ASSI { 2313}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HB1 ))
      2.200     0.600     0.600 peak  2313 spectrum    1 weight  0.10000E+01 volume  0.44157E-02 ppm1      4.226 ppm2      2.253 CV     1
 ASSI { 2314}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HB2 ))
      3.000     1.100     1.100 peak  2314 spectrum    1 weight  0.10000E+01 volume  0.21806E-02 ppm1      4.226 ppm2      2.014 CV     1
 ASSI { 2315}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HB  ))
      2.600     0.800     0.800 peak  2315 spectrum    1 weight  0.10000E+01 volume  0.47697E-02 ppm1      3.820 ppm2      2.213 CV     1
 ASSI { 2317}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HB  ))
      2.700     0.900     0.900 peak  2317 spectrum    1 weight  0.10000E+01 volume  0.51653E-02 ppm1      3.929 ppm2      2.272 CV     1
 ASSI { 2318}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HD2 ))
      3.700     1.700     1.700 peak  2318 spectrum    1 weight  0.10000E+01 volume  0.86015E-03 ppm1      4.227 ppm2      2.804 CV     1
 ASSI { 2319}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 31   and name HA  ))
      5.100     3.200     0.900 peak  2319 spectrum    1 weight  0.10000E+01 volume  0.58516E-03 ppm1      4.224 ppm2      3.296 CV     1
 ASSI { 2320}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 67   and name HD1 ))
      3.600     1.600     1.600 peak  2320 spectrum    1 weight  0.10000E+01 volume  0.10377E-02 ppm1      3.817 ppm2      3.271 CV     1
 OR { 2320}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 67   and name HD2 ))
 ASSI { 2321}
   (( segid "    " and resid 42   and name HB1 ))
   (( segid "    " and resid 42   and name H28A))
      4.300     2.400     1.700 peak  2321 spectrum    1 weight  0.10000E+01 volume  0.76387E-03 ppm1      4.199 ppm2      3.489 CV     1
 ASSI { 2322}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 42   and name H28A))
      3.800     1.800     1.800 peak  2322 spectrum    1 weight  0.10000E+01 volume  0.39824E-03 ppm1      4.336 ppm2      3.494 CV     1
 ASSI { 2326}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 30   and name HD% )
      4.600     2.700     1.400 peak  2326 spectrum    1 weight  0.10000E+01 volume  0.50003E-03 ppm1      4.228 ppm2      7.314 CV     1
 ASSI { 2329}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 35   and name HZ  ))
      2.100     0.600     0.600 peak  2329 spectrum    1 weight  0.10000E+01 volume  0.56479E-02 ppm1      4.227 ppm2      6.886 CV     1
 ASSI { 2331}
   (( segid "    " and resid 42   and name HB1 ))
   (( segid "    " and resid 43   and name HN  ))
      4.400     2.400     1.600 peak  2331 spectrum    1 weight  0.10000E+01 volume  0.67228E-03 ppm1      4.196 ppm2      7.800 CV     1
 ASSI { 2332}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
      3.000     1.200     1.200 peak  2332 spectrum    1 weight  0.10000E+01 volume  0.16254E-02 ppm1      4.227 ppm2      7.709 CV     1
 ASSI { 2337}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 66   and name HN  ))
      3.900     1.900     1.900 peak  2337 spectrum    1 weight  0.10000E+01 volume  0.48244E-03 ppm1      3.821 ppm2      8.035 CV     1
 ASSI { 2339}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      2.500     0.800     0.800 peak  2339 spectrum    1 weight  0.10000E+01 volume  0.43738E-02 ppm1      3.929 ppm2      8.464 CV     1
 ASSI { 2340}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 72   and name HN  ))
      3.600     1.600     1.600 peak  2340 spectrum    1 weight  0.10000E+01 volume  0.53745E-03 ppm1      4.231 ppm2      8.997 CV     1
 ASSI { 2341}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 42   and name HN  ))
      2.500     0.800     0.800 peak  2341 spectrum    1 weight  0.10000E+01 volume  0.39283E-02 ppm1      4.338 ppm2      8.921 CV     1
 ASSI { 2342}
   (( segid "    " and resid 42   and name HB1 ))
   (( segid "    " and resid 42   and name HN  ))
      3.500     1.500     1.500 peak  2342 spectrum    1 weight  0.10000E+01 volume  0.29005E-02 ppm1      4.195 ppm2      8.919 CV     1
 ASSI { 2343}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 75   and name HN  ))
      3.900     1.900     1.900 peak  2343 spectrum    1 weight  0.10000E+01 volume  0.57977E-03 ppm1      4.227 ppm2      8.724 CV     1
 ASSI { 2345}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      3.900     1.900     1.900 peak  2345 spectrum    1 weight  0.10000E+01 volume  0.56365E-03 ppm1      3.868 ppm2      8.257 CV     1
 ASSI { 2346}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      3.500     1.500     1.500 peak  2346 spectrum    1 weight  0.10000E+01 volume  0.89489E-03 ppm1      3.866 ppm2      8.076 CV     1
 ASSI { 2347}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 30   and name HZ  ))
      4.000     2.000     2.000 peak  2347 spectrum    1 weight  0.10000E+01 volume  0.59485E-03 ppm1      3.867 ppm2      7.340 CV     1
 ASSI { 2348}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 30   and name HE% )
      5.000     3.200     1.000 peak  2348 spectrum    1 weight  0.10000E+01 volume  0.27258E-03 ppm1      3.867 ppm2      7.205 CV     1
 ASSI { 2351}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 10   and name HB1 ))
      2.700     0.900     0.900 peak  2351 spectrum    1 weight  0.10000E+01 volume  0.22015E-02 ppm1      3.867 ppm2      2.335 CV     1
 ASSI { 2356}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 10   and name HD2%)
      3.800     1.800     1.800 peak  2356 spectrum    1 weight  0.10000E+01 volume  0.85694E-03 ppm1      3.868 ppm2      1.124 CV     1
 ASSI { 2357}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 75   and name HD2%)
      3.200     1.300     1.300 peak  2357 spectrum    1 weight  0.10000E+01 volume  0.14044E-02 ppm1      3.868 ppm2      0.878 CV     1
 ASSI { 2359}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 31   and name HD1%)
      3.400     1.500     1.500 peak  2359 spectrum    1 weight  0.10000E+01 volume  0.10465E-02 ppm1      3.866 ppm2      0.456 CV     1
 ASSI { 2362}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 48   and name HG2%)
      2.500     0.800     0.800 peak  2362 spectrum    1 weight  0.10000E+01 volume  0.51259E-02 ppm1      3.957 ppm2      1.126 CV     1
 ASSI { 2363}
   (( segid "    " and resid 48   and name HB  ))
   (  segid "    " and resid 48   and name HG2%)
      2.500     0.800     0.800 peak  2363 spectrum    1 weight  0.10000E+01 volume  0.43412E-02 ppm1      4.421 ppm2      1.114 CV     1
 ASSI { 2369}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 8    and name HB2 ))
      5.000     3.100     1.000 peak  2369 spectrum    1 weight  0.10000E+01 volume  0.41838E-03 ppm1      4.321 ppm2      2.709 CV     1
 OR { 2369}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 8    and name HB1 ))
 ASSI { 2370}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 51   and name HD2 ))
      4.300     2.300     1.700 peak  2370 spectrum    1 weight  0.10000E+01 volume  0.47545E-03 ppm1      3.953 ppm2      3.303 CV     1
 ASSI { 2375}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
      3.400     1.500     1.500 peak  2375 spectrum    1 weight  0.10000E+01 volume  0.92223E-03 ppm1      3.955 ppm2      8.116 CV     1
 ASSI { 2379}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 8    and name HN  ))
      2.800     1.000     1.000 peak  2379 spectrum    1 weight  0.10000E+01 volume  0.23410E-02 ppm1      4.320 ppm2      8.261 CV     1
 ASSI { 2380}
   (( segid "    " and resid 48   and name HB  ))
   (( segid "    " and resid 49   and name HN  ))
      2.500     0.800     0.800 peak  2380 spectrum    1 weight  0.10000E+01 volume  0.29490E-02 ppm1      4.422 ppm2      8.756 CV     1
 ASSI { 2382}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      4.000     2.000     2.000 peak  2382 spectrum    1 weight  0.10000E+01 volume  0.52746E-03 ppm1      3.956 ppm2      8.754 CV     1
 ASSI { 2383}
   (( segid "    " and resid 24   and name HB  ))
   (( segid "    " and resid 24   and name HN  ))
      2.900     1.100     1.100 peak  2383 spectrum    1 weight  0.10000E+01 volume  0.38965E-02 ppm1      4.226 ppm2      8.133 CV     1
 ASSI { 2385}
   (( segid "    " and resid 24   and name HB  ))
   (( segid "    " and resid 25   and name HN  ))
      3.400     1.400     1.400 peak  2385 spectrum    1 weight  0.10000E+01 volume  0.21087E-02 ppm1      4.229 ppm2      8.604 CV     1
 ASSI { 2390}
   (( segid "    " and resid 24   and name HB  ))
   (  segid "    " and resid 38   and name HG2%)
      4.000     2.000     2.000 peak  2390 spectrum    1 weight  0.10000E+01 volume  0.71405E-03 ppm1      4.226 ppm2      1.068 CV     1
 ASSI { 2392}
   (( segid "    " and resid 24   and name HB  ))
   (  segid "    " and resid 26   and name HD1%)
      4.200     2.200     1.800 peak  2392 spectrum    1 weight  0.10000E+01 volume  0.49330E-03 ppm1      4.228 ppm2      0.695 CV     1
 ASSI { 2394}
   (( segid "    " and resid 21   and name HB  ))
   (( segid "    " and resid 22   and name HN  ))
      3.000     1.100     1.100 peak  2394 spectrum    1 weight  0.10000E+01 volume  0.39109E-02 ppm1      4.373 ppm2      8.490 CV     1
 ASSI { 2395}
   (( segid "    " and resid 21   and name HB  ))
   (( segid "    " and resid 21   and name HN  ))
      3.200     1.300     1.300 peak  2395 spectrum    1 weight  0.10000E+01 volume  0.19002E-02 ppm1      4.369 ppm2      8.249 CV     1
 ASSI { 2398}
   (( segid "    " and resid 70   and name HB  ))
   (( segid "    " and resid 71   and name HD1 ))
      3.100     1.200     1.200 peak  2398 spectrum    1 weight  0.10000E+01 volume  0.40572E-02 ppm1      4.622 ppm2      4.032 CV     1
 ASSI { 2400}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 45   and name HD1%)
      5.200     3.400     0.800 peak  2400 spectrum    1 weight  0.10000E+01 volume  0.37184E-03 ppm1      6.742 ppm2      0.241 CV     1
 ASSI { 2402}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 15   and name HG2%)
      2.800     2.800     3.200 peak  2402 spectrum    1 weight  0.10000E+01 volume  0.10280E-02 ppm1      6.742 ppm2      1.096 CV     1
 ASSI { 2403}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 45   and name HD2%)
      3.800     1.800     1.800 peak  2403 spectrum    1 weight  0.10000E+01 volume  0.54365E-03 ppm1      6.739 ppm2      0.358 CV     1
 ASSI { 2409}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 55   and name HB1 ))
      3.300     1.400     1.400 peak  2409 spectrum    1 weight  0.10000E+01 volume  0.76360E-03 ppm1      6.814 ppm2      1.906 CV     1
 ASSI { 2410}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 38   and name HG11))
      3.900     1.900     1.900 peak  2410 spectrum    1 weight  0.10000E+01 volume  0.10603E-02 ppm1      6.741 ppm2      1.821 CV     1
 ASSI { 2414}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 56   and name HB2 ))
      4.600     2.600     1.400 peak  2414 spectrum    1 weight  0.10000E+01 volume  0.60405E-03 ppm1      6.810 ppm2      2.784 CV     1
 ASSI { 2415}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 9    and name HB2 ))
      4.700     2.700     1.300 peak  2415 spectrum    1 weight  0.10000E+01 volume  0.43218E-03 ppm1      6.812 ppm2      2.698 CV     1
 ASSI { 2416}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 40   and name HB1 ))
      4.800     2.900     1.200 peak  2416 spectrum    1 weight  0.10000E+01 volume  0.38852E-03 ppm1      6.742 ppm2      3.017 CV     1
 ASSI { 2417}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 40   and name HB2 ))
      4.400     2.400     1.600 peak  2417 spectrum    1 weight  0.10000E+01 volume  0.66096E-03 ppm1      6.743 ppm2      2.801 CV     1
 ASSI { 2419}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 56   and name HB1 ))
      4.400     2.400     1.600 peak  2419 spectrum    1 weight  0.10000E+01 volume  0.73877E-03 ppm1      6.814 ppm2      3.453 CV     1
 ASSI { 2420}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 56   and name HA  ))
      3.100     3.100     2.900 peak  2420 spectrum    1 weight  0.10000E+01 volume  0.65611E-03 ppm1      6.814 ppm2      4.673 CV     1
 ASSI { 2422}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 5    and name HA  ))
      4.000     2.000     2.000 peak  2422 spectrum    1 weight  0.10000E+01 volume  0.70561E-03 ppm1      6.813 ppm2      4.537 CV     1
 ASSI { 2431}
   (( segid "    " and resid 30   and name HZ  ))
   (  segid "    " and resid 14   and name HD2%)
      4.400     2.400     1.600 peak  2431 spectrum    1 weight  0.10000E+01 volume  0.31254E-03 ppm1      7.343 ppm2      0.892 CV     1
 ASSI { 2432}
   (( segid "    " and resid 30   and name HZ  ))
   (( segid "    " and resid 11   and name HB2 ))
      3.500     1.500     1.500 peak  2432 spectrum    1 weight  0.10000E+01 volume  0.68633E-03 ppm1      7.349 ppm2      2.031 CV     1
 OR { 2432}
   (( segid "    " and resid 30   and name HZ  ))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI { 2433}
   (( segid "    " and resid 30   and name HZ  ))
   (  segid "    " and resid 31   and name HD1%)
      3.500     1.500     1.500 peak  2433 spectrum    1 weight  0.10000E+01 volume  0.31928E-03 ppm1      7.349 ppm2      0.455 CV     1
 ASSI { 2434}
   (( segid "    " and resid 30   and name HZ  ))
   (( segid "    " and resid 11   and name HA  ))
      4.100     2.100     1.900 peak  2434 spectrum    1 weight  0.10000E+01 volume  0.24669E-03 ppm1      7.344 ppm2      3.515 CV     1
 ASSI { 2435}
   (  segid "    " and resid 30   and name HE% )
   (  segid "    " and resid 31   and name HD1%)
      3.300     1.400     1.400 peak  2435 spectrum    1 weight  0.10000E+01 volume  0.10807E-02 ppm1      7.213 ppm2      0.453 CV     1
 ASSI { 2441}
   (  segid "    " and resid 35   and name HD% )
   (  segid "    " and resid 14   and name HD1%)
      3.800     1.800     1.800 peak  2441 spectrum    1 weight  0.10000E+01 volume  0.49197E-03 ppm1      7.111 ppm2      0.764 CV     1
 ASSI { 2446}
   (  segid "    " and resid 35   and name HE% )
   (  segid "    " and resid 68   and name HG2%)
      3.100     1.200     1.200 peak  2446 spectrum    1 weight  0.10000E+01 volume  0.11125E-02 ppm1      6.924 ppm2      1.215 CV     1
 ASSI { 2449}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 71   and name HG2 ))
      4.900     3.000     1.100 peak  2449 spectrum    1 weight  0.10000E+01 volume  0.45312E-03 ppm1      6.928 ppm2      1.324 CV     1
 ASSI { 2450}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 71   and name HG2 ))
      5.400     3.700     0.600 peak  2450 spectrum    1 weight  0.10000E+01 volume  0.19752E-03 ppm1      7.110 ppm2      1.323 CV     1
 ASSI { 2454}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 74   and name HB2 ))
      5.200     3.300     0.800 peak  2454 spectrum    1 weight  0.10000E+01 volume  0.23572E-03 ppm1      7.115 ppm2      1.703 CV     1
 ASSI { 2455}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 74   and name HB2 ))
      3.800     1.800     1.800 peak  2455 spectrum    1 weight  0.10000E+01 volume  0.57655E-03 ppm1      6.922 ppm2      1.692 CV     1
 ASSI { 2456}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 71   and name HB1 ))
      2.900     1.000     1.000 peak  2456 spectrum    1 weight  0.10000E+01 volume  0.13878E-02 ppm1      7.211 ppm2      2.253 CV     1
 ASSI { 2458}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 10   and name HG  ))
      3.300     1.300     1.300 peak  2458 spectrum    1 weight  0.10000E+01 volume  0.99873E-03 ppm1      7.211 ppm2      1.893 CV     1
 ASSI { 2462}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 35   and name HB2 ))
      4.600     2.700     1.400 peak  2462 spectrum    1 weight  0.10000E+01 volume  0.56267E-03 ppm1      6.924 ppm2      3.072 CV     1
 ASSI { 2466}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 35   and name HB1 ))
      4.700     2.800     1.300 peak  2466 spectrum    1 weight  0.10000E+01 volume  0.41381E-03 ppm1      6.920 ppm2      3.596 CV     1
 ASSI { 2469}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 71   and name HA  ))
      4.600     2.600     1.400 peak  2469 spectrum    1 weight  0.10000E+01 volume  0.54524E-03 ppm1      7.112 ppm2      4.233 CV     1
 ASSI { 2470}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 71   and name HA  ))
      3.500     1.600     1.600 peak  2470 spectrum    1 weight  0.10000E+01 volume  0.11902E-02 ppm1      6.924 ppm2      4.228 CV     1
 ASSI { 2471}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 69   and name HA  ))
      4.600     2.700     1.400 peak  2471 spectrum    1 weight  0.10000E+01 volume  0.21562E-03 ppm1      6.925 ppm2      5.272 CV     1
 ASSI { 2473}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 11   and name HN  ))
      4.900     2.900     1.100 peak  2473 spectrum    1 weight  0.10000E+01 volume  0.32739E-03 ppm1      7.210 ppm2      8.832 CV     1
 ASSI { 2485}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 14   and name HD1%)
      3.600     1.600     1.600 peak  2485 spectrum    1 weight  0.10000E+01 volume  0.96840E-03 ppm1      6.972 ppm2      0.770 CV     1
 ASSI { 2486}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 45   and name HD2%)
      3.700     1.700     1.700 peak  2486 spectrum    1 weight  0.10000E+01 volume  0.37248E-03 ppm1      6.976 ppm2      0.361 CV     1
 ASSI { 2490}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 31   and name HG  ))
      5.100     3.300     0.900 peak  2490 spectrum    1 weight  0.10000E+01 volume  0.41635E-03 ppm1      7.315 ppm2      1.195 CV     1
 ASSI { 2497}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 71   and name HB2 ))
      3.500     1.500     1.500 peak  2497 spectrum    1 weight  0.10000E+01 volume  0.11740E-02 ppm1      7.307 ppm2      2.016 CV     1
 ASSI { 2501}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 30   and name HB1 ))
      2.500     0.800     0.800 peak  2501 spectrum    1 weight  0.10000E+01 volume  0.50650E-02 ppm1      7.305 ppm2      3.291 CV     1
 ASSI { 2502}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 35   and name HB1 ))
      4.700     2.800     1.300 peak  2502 spectrum    1 weight  0.10000E+01 volume  0.32531E-03 ppm1      6.967 ppm2      3.591 CV     1
 ASSI { 2505}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 26   and name HA  ))
      4.000     2.000     2.000 peak  2505 spectrum    1 weight  0.10000E+01 volume  0.48475E-03 ppm1      7.308 ppm2      4.364 CV     1
 ASSI { 2507}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 29   and name HA  ))
      3.900     1.900     1.900 peak  2507 spectrum    1 weight  0.10000E+01 volume  0.65442E-03 ppm1      7.307 ppm2      4.849 CV     1
 ASSI { 2513}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 56   and name HN  ))
      2.700     0.900     0.900 peak  2513 spectrum    1 weight  0.10000E+01 volume  0.27011E-02 ppm1      7.442 ppm2      8.129 CV     1
 ASSI { 2514}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 56   and name HE% )
      2.100     0.500     0.500 peak  2514 spectrum    1 weight  0.10000E+01 volume  0.12082E-01 ppm1      7.441 ppm2      6.810 CV     1
 ASSI { 2519}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 56   and name HB2 ))
      2.400     0.700     0.700 peak  2519 spectrum    1 weight  0.10000E+01 volume  0.50104E-02 ppm1      7.440 ppm2      2.787 CV     1
 ASSI { 2521}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 52   and name HB1 ))
      3.500     1.500     1.500 peak  2521 spectrum    1 weight  0.10000E+01 volume  0.37336E-03 ppm1      7.440 ppm2      2.212 CV     1
 ASSI { 2523}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 52   and name HB2 ))
      4.300     2.300     1.700 peak  2523 spectrum    1 weight  0.10000E+01 volume  0.77504E-03 ppm1      7.442 ppm2      1.447 CV     1
 ASSI { 2527}
   (( segid "    " and resid 82   and name HG  ))
   (  segid "    " and resid 82   and name HD1%)
      2.300     0.700     0.700 peak  2527 spectrum    1 weight  0.10000E+01 volume  0.45401E-02 ppm1      1.853 ppm2      0.989 CV     1
 OR { 2527}
   (( segid "    " and resid 82   and name HG  ))
   (  segid "    " and resid 82   and name HD2%)
 ASSI { 2528}
   (( segid "    " and resid 72   and name HG1 ))
   (( segid "    " and resid 72   and name HD2 ))
      3.600     1.600     1.600 peak  2528 spectrum    1 weight  0.10000E+01 volume  0.59409E-03 ppm1      1.658 ppm2      3.017 CV     1
 ASSI {    4}
   (( segid "    " and resid 72   and name HH11))
   (( segid "    " and resid 72   and name HG2 ))
      4.300     2.300     1.700 peak     4 spectrum    1 weight  0.10000E+01 volume  0.77319E-03 ppm1      6.889 ppm2      1.510 CV     1
 ASSI {    9}
   (( segid "    " and resid 72   and name HE  ))
   (( segid "    " and resid 72   and name HB1 ))
      4.000     2.000     2.000 peak     9 spectrum    1 weight  0.10000E+01 volume  0.98855E-03 ppm1      9.066 ppm2      1.861 CV     1
 ASSI {   10}
   (( segid "    " and resid 72   and name HE  ))
   (( segid "    " and resid 31   and name HB1 ))
      2.800     1.000     1.000 peak    10 spectrum    1 weight  0.10000E+01 volume  0.14736E-02 ppm1      9.064 ppm2      1.634 CV     1
 ASSI {   11}
   (( segid "    " and resid 72   and name HE  ))
   (( segid "    " and resid 72   and name HG2 ))
      3.800     1.800     1.800 peak    11 spectrum    1 weight  0.10000E+01 volume  0.57067E-03 ppm1      9.069 ppm2      1.518 CV     1
 ASSI {   12}
   (( segid "    " and resid 72   and name HE  ))
   (( segid "    " and resid 31   and name HB2 ))
      3.700     1.700     1.700 peak    12 spectrum    1 weight  0.10000E+01 volume  0.49248E-03 ppm1      9.067 ppm2      1.024 CV     1
 ASSI {   13}
   (( segid "    " and resid 72   and name HE  ))
   (  segid "    " and resid 31   and name HD2%)
      3.500     1.500     1.500 peak    13 spectrum    1 weight  0.10000E+01 volume  0.30036E-03 ppm1      9.064 ppm2      0.773 CV     1
 ASSI {   14}
   (( segid "    " and resid 72   and name HE  ))
   (( segid "    " and resid 72   and name HH21))
      2.800     1.000     1.000 peak    14 spectrum    1 weight  0.10000E+01 volume  0.29392E-02 ppm1      9.065 ppm2      6.899 CV     1
 OR {   14}
   (( segid "    " and resid 72   and name HE  ))
   (( segid "    " and resid 72   and name HH22))
 OR {   14}
   (( segid "    " and resid 72   and name HE  ))
   (( segid "    " and resid 72   and name HH12))
 OR {   14}
   (( segid "    " and resid 72   and name HE  ))
   (( segid "    " and resid 72   and name HH11))
 ASSI {   16}
   (( segid "    " and resid 11   and name HE  ))
   (( segid "    " and resid 8    and name HA  ))
      4.200     2.300     1.800 peak    16 spectrum    1 weight  0.10000E+01 volume  0.35206E-03 ppm1      7.316 ppm2      4.622 CV     1
 ASSI {   17}
   (( segid "    " and resid 11   and name HE  ))
   (( segid "    " and resid 27   and name HA  ))
      3.600     1.600     1.600 peak    17 spectrum    1 weight  0.10000E+01 volume  0.80618E-03 ppm1      7.316 ppm2      4.302 CV     1
 ASSI {   18}
   (( segid "    " and resid 11   and name HE  ))
   (( segid "    " and resid 11   and name HB1 ))
      3.600     1.600     1.600 peak    18 spectrum    1 weight  0.10000E+01 volume  0.83559E-03 ppm1      7.315 ppm2      2.048 CV     1
 OR {   18}
   (( segid "    " and resid 11   and name HE  ))
   (( segid "    " and resid 11   and name HB2 ))
 ASSI {   19}
   (( segid "    " and resid 11   and name HE  ))
   (( segid "    " and resid 11   and name HG1 ))
      3.700     1.800     1.800 peak    19 spectrum    1 weight  0.10000E+01 volume  0.85176E-03 ppm1      7.313 ppm2      1.398 CV     1
 ASSI {   20}
   (( segid "    " and resid 11   and name HE  ))
   (( segid "    " and resid 11   and name HG2 ))
      3.600     1.600     1.600 peak    20 spectrum    1 weight  0.10000E+01 volume  0.47633E-03 ppm1      7.313 ppm2      1.132 CV     1
 ASSI {   21}
   (( segid "    " and resid 12   and name HE  ))
   (( segid "    " and resid 12   and name HB2 ))
      4.000     2.000     2.000 peak    21 spectrum    1 weight  0.10000E+01 volume  0.33555E-03 ppm1      7.509 ppm2      2.031 CV     1
 OR {   21}
   (( segid "    " and resid 12   and name HE  ))
   (( segid "    " and resid 12   and name HB1 ))
 ASSI {   22}
   (( segid "    " and resid 12   and name HE  ))
   (( segid "    " and resid 12   and name HG1 ))
      3.900     1.900     1.900 peak    22 spectrum    1 weight  0.10000E+01 volume  0.45702E-03 ppm1      7.512 ppm2      1.916 CV     1
 ASSI {   24}
   (( segid "    " and resid 12   and name HE  ))
   (( segid "    " and resid 12   and name HG2 ))
      4.000     2.000     2.000 peak    24 spectrum    1 weight  0.10000E+01 volume  0.35781E-03 ppm1      7.511 ppm2      1.692 CV     1
 ASSI {   25}
   (( segid "    " and resid 67   and name HE  ))
   (( segid "    " and resid 67   and name HG2 ))
      3.800     1.800     1.800 peak    25 spectrum    1 weight  0.10000E+01 volume  0.56833E-03 ppm1      7.398 ppm2      1.763 CV     1
 OR {   25}
   (( segid "    " and resid 67   and name HE  ))
   (( segid "    " and resid 67   and name HG1 ))
 ASSI {   26}
   (( segid "    " and resid 51   and name HE  ))
   (( segid "    " and resid 51   and name HB1 ))
      4.400     2.400     1.600 peak    26 spectrum    1 weight  0.10000E+01 volume  0.28355E-03 ppm1      7.555 ppm2      2.201 CV     1
 ASSI {   27}
   (( segid "    " and resid 51   and name HE  ))
   (( segid "    " and resid 14   and name HB1 ))
      3.400     3.400     2.600 peak    27 spectrum    1 weight  0.10000E+01 volume  0.36311E-03 ppm1      7.552 ppm2      2.003 CV     1
 ASSI {   28}
   (( segid "    " and resid 51   and name HE  ))
   (( segid "    " and resid 51   and name HG2 ))
      4.200     2.200     1.800 peak    28 spectrum    1 weight  0.10000E+01 volume  0.33512E-03 ppm1      7.561 ppm2      1.734 CV     1
 ASSI {   29}
   (( segid "    " and resid 67   and name HE  ))
   (( segid "    " and resid 67   and name HB1 ))
      4.000     2.000     2.000 peak    29 spectrum    1 weight  0.10000E+01 volume  0.33407E-03 ppm1      7.399 ppm2      2.076 CV     1
 ASSI {   31}
   (( segid "    " and resid 12   and name HE  ))
   (( segid "    " and resid 12   and name HD2 ))
      3.300     1.300     1.300 peak    31 spectrum    1 weight  0.10000E+01 volume  0.10517E-02 ppm1      7.511 ppm2      3.310 CV     1
 ASSI {   33}
   (( segid "    " and resid 51   and name HE  ))
   (( segid "    " and resid 51   and name HD2 ))
      3.300     1.300     1.300 peak    33 spectrum    1 weight  0.10000E+01 volume  0.78560E-03 ppm1      7.553 ppm2      3.297 CV     1
 ASSI {   34}
   (( segid "    " and resid 55   and name HE  ))
   (( segid "    " and resid 55   and name HG1 ))
      3.900     1.900     1.900 peak    34 spectrum    1 weight  0.10000E+01 volume  0.42512E-03 ppm1      7.182 ppm2      1.361 CV     1
 ASSI {   35}
   (( segid "    " and resid 55   and name HE  ))
   (( segid "    " and resid 55   and name HG2 ))
      3.700     1.700     1.700 peak    35 spectrum    1 weight  0.10000E+01 volume  0.43517E-03 ppm1      7.183 ppm2      0.983 CV     1
 ASSI {   36}
   (( segid "    " and resid 55   and name HE  ))
   (( segid "    " and resid 55   and name HB1 ))
      4.800     2.900     1.200 peak    36 spectrum    1 weight  0.10000E+01 volume  0.23922E-03 ppm1      7.185 ppm2      1.902 CV     1
 ASSI {   37}
   (( segid "    " and resid 55   and name HE  ))
   (( segid "    " and resid 55   and name HD1 ))
      3.700     1.700     1.700 peak    37 spectrum    1 weight  0.10000E+01 volume  0.51036E-03 ppm1      7.183 ppm2      3.094 CV     1
 ASSI {   41}
   (( segid "    " and resid 34   and name HE  ))
   (( segid "    " and resid 34   and name HD2 ))
      3.200     1.300     1.300 peak    41 spectrum    1 weight  0.10000E+01 volume  0.11061E-02 ppm1      7.985 ppm2      3.346 CV     1
 ASSI {   42}
   (( segid "    " and resid 34   and name HE  ))
   (( segid "    " and resid 34   and name HB1 ))
      3.400     1.400     1.400 peak    42 spectrum    1 weight  0.10000E+01 volume  0.62622E-03 ppm1      7.985 ppm2      2.173 CV     1
 ASSI {   43}
   (( segid "    " and resid 34   and name HE  ))
   (( segid "    " and resid 34   and name HG1 ))
      3.900     1.900     1.900 peak    43 spectrum    1 weight  0.10000E+01 volume  0.50731E-03 ppm1      7.983 ppm2      1.942 CV     1
 ASSI {   44}
   (( segid "    " and resid 34   and name HE  ))
   (( segid "    " and resid 34   and name HB2 ))
      3.700     1.700     1.700 peak    44 spectrum    1 weight  0.10000E+01 volume  0.45914E-03 ppm1      7.986 ppm2      1.850 CV     1
 ASSI {   45}
   (( segid "    " and resid 34   and name HE  ))
   (( segid "    " and resid 36   and name HG2 ))
      5.000     3.200     1.000 peak    45 spectrum    1 weight  0.10000E+01 volume  0.19937E-03 ppm1      7.985 ppm2      2.491 CV     1
 OR {   45}
   (( segid "    " and resid 34   and name HE  ))
   (( segid "    " and resid 36   and name HG1 ))
 ASSI {   49}
   (( segid "    " and resid 34   and name HE  ))
   (( segid "    " and resid 34   and name HG2 ))
      4.500     2.600     1.500 peak    49 spectrum    1 weight  0.10000E+01 volume  0.15826E-03 ppm1      7.987 ppm2      1.622 CV     1
 ASSI {   54}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 46   and name HG2 ))
      3.900     1.900     1.900 peak    54 spectrum    1 weight  0.10000E+01 volume  0.38488E-03 ppm1      8.029 ppm2      2.755 CV     1
 ASSI {   60}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      3.600     1.600     1.600 peak    60 spectrum    1 weight  0.10000E+01 volume  0.71410E-03 ppm1      8.030 ppm2      4.526 CV     1
 ASSI {   61}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 67   and name HN  ))
      2.600     0.800     0.800 peak    61 spectrum    1 weight  0.10000E+01 volume  0.37877E-02 ppm1      8.031 ppm2      7.488 CV     1
 ASSI {   62}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HN  ))
      2.600     0.800     0.800 peak    62 spectrum    1 weight  0.10000E+01 volume  0.33295E-02 ppm1      8.031 ppm2      8.218 CV     1
 ASSI {   65}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      3.300     1.400     1.400 peak    65 spectrum    1 weight  0.10000E+01 volume  0.19513E-02 ppm1      8.242 ppm2      8.478 CV     1
 ASSI {   66}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HA2 ))
      2.300     0.700     0.700 peak    66 spectrum    1 weight  0.10000E+01 volume  0.11607E-01 ppm1      8.242 ppm2      4.056 CV     1
 OR {   66}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HA1 ))
 ASSI {   67}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      3.900     1.900     1.900 peak    67 spectrum    1 weight  0.10000E+01 volume  0.67348E-03 ppm1      8.240 ppm2      3.946 CV     1
 ASSI {   68}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      2.700     0.900     0.900 peak    68 spectrum    1 weight  0.10000E+01 volume  0.46461E-02 ppm1      8.242 ppm2      4.361 CV     1
 ASSI {   71}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 15   and name HG1%)
      4.300     2.300     1.700 peak    71 spectrum    1 weight  0.10000E+01 volume  0.27659E-03 ppm1      8.244 ppm2      1.032 CV     1
 ASSI {   72}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      2.500     0.800     0.800 peak    72 spectrum    1 weight  0.10000E+01 volume  0.54158E-02 ppm1      7.717 ppm2      8.057 CV     1
 ASSI {   76}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      3.000     1.100     1.100 peak    76 spectrum    1 weight  0.10000E+01 volume  0.18793E-02 ppm1      7.717 ppm2      4.664 CV     1
 ASSI {   77}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HB  ))
      4.100     2.100     1.900 peak    77 spectrum    1 weight  0.10000E+01 volume  0.68356E-03 ppm1      7.719 ppm2      2.455 CV     1
 ASSI {   78}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HG11))
      3.800     1.800     1.800 peak    78 spectrum    1 weight  0.10000E+01 volume  0.78495E-03 ppm1      7.718 ppm2      1.820 CV     1
 ASSI {   79}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HG12))
      4.200     2.200     1.800 peak    79 spectrum    1 weight  0.10000E+01 volume  0.62921E-03 ppm1      7.716 ppm2      1.540 CV     1
 ASSI {   81}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
      4.500     2.500     1.500 peak    81 spectrum    1 weight  0.10000E+01 volume  0.54524E-03 ppm1      7.718 ppm2      3.002 CV     1
 ASSI {   82}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
      3.100     1.200     1.200 peak    82 spectrum    1 weight  0.10000E+01 volume  0.59000E-03 ppm1      7.720 ppm2      1.058 CV     1
 ASSI {   83}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 38   and name HD1%)
      5.400     3.700     0.600 peak    83 spectrum    1 weight  0.10000E+01 volume  0.34621E-03 ppm1      7.714 ppm2      0.871 CV     1
 ASSI {   84}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 75   and name HG  ))
      2.700     0.900     0.900 peak    84 spectrum    1 weight  0.10000E+01 volume  0.18725E-02 ppm1      7.663 ppm2      1.690 CV     1
 ASSI {   85}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 4    and name HB1 ))
      3.900     1.900     1.900 peak    85 spectrum    1 weight  0.10000E+01 volume  0.11202E-02 ppm1      7.664 ppm2      1.589 CV     1
 ASSI {   86}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 4    and name HB2 ))
      3.300     1.400     1.400 peak    86 spectrum    1 weight  0.10000E+01 volume  0.64849E-03 ppm1      7.663 ppm2      1.486 CV     1
 ASSI {   87}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 5    and name HB2 ))
      3.300     3.300     2.700 peak    87 spectrum    1 weight  0.10000E+01 volume  0.45566E-03 ppm1      7.663 ppm2      1.355 CV     1
 ASSI {   90}
   (( segid "    " and resid 79   and name HD22))
   (  segid "    " and resid 75   and name HD1%)
      2.600     0.800     0.800 peak    90 spectrum    1 weight  0.10000E+01 volume  0.18805E-02 ppm1      7.664 ppm2      0.791 CV     1
 ASSI {   96}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 4    and name HB2 ))
      2.800     1.000     1.000 peak    96 spectrum    1 weight  0.10000E+01 volume  0.94956E-03 ppm1      7.325 ppm2      1.480 CV     1
 ASSI {   98}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 79   and name HB2 ))
      3.400     1.500     1.500 peak    98 spectrum    1 weight  0.10000E+01 volume  0.25483E-02 ppm1      7.664 ppm2      2.769 CV     1
 ASSI {   99}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 79   and name HB1 ))
      3.300     1.400     1.400 peak    99 spectrum    1 weight  0.10000E+01 volume  0.27879E-02 ppm1      7.663 ppm2      3.085 CV     1
 ASSI {  100}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 79   and name HB1 ))
      3.100     1.200     1.200 peak   100 spectrum    1 weight  0.10000E+01 volume  0.14258E-02 ppm1      7.326 ppm2      3.084 CV     1
 ASSI {  101}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 79   and name HB2 ))
      3.600     1.600     1.600 peak   101 spectrum    1 weight  0.10000E+01 volume  0.12519E-02 ppm1      7.327 ppm2      2.766 CV     1
 ASSI {  102}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 79   and name HA  ))
      5.000     3.200     1.000 peak   102 spectrum    1 weight  0.10000E+01 volume  0.41088E-03 ppm1      7.663 ppm2      4.909 CV     1
 ASSI {  103}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 76   and name HA  ))
      4.100     2.100     1.900 peak   103 spectrum    1 weight  0.10000E+01 volume  0.43427E-03 ppm1      7.664 ppm2      4.489 CV     1
 ASSI {  104}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 4    and name HA  ))
      4.900     3.000     1.100 peak   104 spectrum    1 weight  0.10000E+01 volume  0.25829E-03 ppm1      7.664 ppm2      4.361 CV     1
 ASSI {  105}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 76   and name HA  ))
      4.800     2.800     1.200 peak   105 spectrum    1 weight  0.10000E+01 volume  0.27245E-03 ppm1      7.328 ppm2      4.490 CV     1
 ASSI {  108}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 5    and name HN  ))
      2.700     0.900     0.900 peak   108 spectrum    1 weight  0.10000E+01 volume  0.10259E-02 ppm1      7.664 ppm2      9.419 CV     1
 ASSI {  109}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 79   and name HN  ))
      3.500     1.600     1.600 peak   109 spectrum    1 weight  0.10000E+01 volume  0.71242E-03 ppm1      7.667 ppm2      8.876 CV     1
 ASSI {  110}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 5    and name HN  ))
      2.700     0.900     0.900 peak   110 spectrum    1 weight  0.10000E+01 volume  0.19375E-02 ppm1      7.328 ppm2      9.417 CV     1
 ASSI {  111}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 79   and name HN  ))
      3.300     1.400     1.400 peak   111 spectrum    1 weight  0.10000E+01 volume  0.33292E-03 ppm1      7.329 ppm2      8.869 CV     1
 ASSI {  114}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      3.100     1.200     1.200 peak   114 spectrum    1 weight  0.10000E+01 volume  0.99187E-03 ppm1      7.472 ppm2      4.951 CV     1
 ASSI {  115}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HB  ))
      4.200     2.200     1.800 peak   115 spectrum    1 weight  0.10000E+01 volume  0.42931E-03 ppm1      7.474 ppm2      4.624 CV     1
 ASSI {  116}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      3.700     1.700     1.700 peak   116 spectrum    1 weight  0.10000E+01 volume  0.14778E-02 ppm1      7.473 ppm2      4.447 CV     1
 ASSI {  119}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HB2 ))
      3.200     1.300     1.300 peak   119 spectrum    1 weight  0.10000E+01 volume  0.11849E-02 ppm1      7.472 ppm2      2.879 CV     1
 ASSI {  120}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 73   and name HG1 ))
      3.400     1.500     1.500 peak   120 spectrum    1 weight  0.10000E+01 volume  0.85737E-03 ppm1      7.472 ppm2      2.649 CV     1
 ASSI {  121}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 73   and name HB1 ))
      3.500     1.500     1.500 peak   121 spectrum    1 weight  0.10000E+01 volume  0.34270E-02 ppm1      7.473 ppm2      2.466 CV     1
 ASSI {  126}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HB1 ))
      3.300     1.400     1.400 peak   126 spectrum    1 weight  0.10000E+01 volume  0.15935E-02 ppm1      8.492 ppm2      2.838 CV     1
 OR {  126}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
 ASSI {  127}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HA1 ))
      2.300     0.700     0.700 peak   127 spectrum    1 weight  0.10000E+01 volume  0.10891E-01 ppm1      8.493 ppm2      4.073 CV     1
 OR {  127}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HA2 ))
 ASSI {  128}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      2.800     1.000     1.000 peak   128 spectrum    1 weight  0.10000E+01 volume  0.37358E-02 ppm1      8.493 ppm2      4.725 CV     1
 ASSI {  130}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      2.600     0.800     0.800 peak   130 spectrum    1 weight  0.10000E+01 volume  0.32802E-02 ppm1      8.421 ppm2      8.872 CV     1
 ASSI {  131}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 81   and name HN  ))
      2.500     0.800     0.800 peak   131 spectrum    1 weight  0.10000E+01 volume  0.44229E-02 ppm1      8.421 ppm2      7.591 CV     1
 ASSI {  132}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      3.400     1.400     1.400 peak   132 spectrum    1 weight  0.10000E+01 volume  0.93557E-03 ppm1      8.421 ppm2      4.907 CV     1
 ASSI {  136}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      4.000     2.000     2.000 peak   136 spectrum    1 weight  0.10000E+01 volume  0.41898E-03 ppm1      8.421 ppm2      3.744 CV     1
 ASSI {  137}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HB1 ))
      4.000     2.000     2.000 peak   137 spectrum    1 weight  0.10000E+01 volume  0.13214E-02 ppm1      8.422 ppm2      3.086 CV     1
 ASSI {  138}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HB2 ))
      3.000     1.100     1.100 peak   138 spectrum    1 weight  0.10000E+01 volume  0.11151E-02 ppm1      8.420 ppm2      2.767 CV     1
 ASSI {  141}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
      4.100     2.100     1.900 peak   141 spectrum    1 weight  0.10000E+01 volume  0.62050E-03 ppm1      8.420 ppm2      0.868 CV     1
 ASSI {  142}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 78   and name HB  ))
      4.800     2.800     1.200 peak   142 spectrum    1 weight  0.10000E+01 volume  0.36971E-03 ppm1      8.417 ppm2      1.931 CV     1
 ASSI {  144}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HB2 ))
      3.700     1.700     1.700 peak   144 spectrum    1 weight  0.10000E+01 volume  0.63624E-03 ppm1      7.968 ppm2      2.788 CV     1
 ASSI {  147}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      3.600     1.600     1.600 peak   147 spectrum    1 weight  0.10000E+01 volume  0.74612E-03 ppm1      7.968 ppm2      4.382 CV     1
 ASSI {  148}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 58   and name HN  ))
      2.700     0.900     0.900 peak   148 spectrum    1 weight  0.10000E+01 volume  0.33153E-02 ppm1      7.968 ppm2      7.516 CV     1
 ASSI {  151}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HB1 ))
      3.400     1.400     1.400 peak   151 spectrum    1 weight  0.10000E+01 volume  0.15997E-02 ppm1      8.563 ppm2      4.032 CV     1
 ASSI {  154}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 30   and name HD% )
      4.000     2.000     2.000 peak   154 spectrum    1 weight  0.10000E+01 volume  0.31837E-03 ppm1      8.562 ppm2      7.305 CV     1
 ASSI {  156}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      2.500     0.800     0.800 peak   156 spectrum    1 weight  0.10000E+01 volume  0.47243E-02 ppm1      8.047 ppm2      7.210 CV     1
 ASSI {  157}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      2.500     0.800     0.800 peak   157 spectrum    1 weight  0.10000E+01 volume  0.27257E-02 ppm1      8.047 ppm2      7.510 CV     1
 ASSI {  158}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      3.100     1.200     1.200 peak   158 spectrum    1 weight  0.10000E+01 volume  0.17865E-02 ppm1      8.050 ppm2      5.046 CV     1
 ASSI {  160}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
      3.100     1.200     1.200 peak   160 spectrum    1 weight  0.10000E+01 volume  0.22188E-02 ppm1      8.048 ppm2      3.032 CV     1
 ASSI {  161}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
      2.700     0.900     0.900 peak   161 spectrum    1 weight  0.10000E+01 volume  0.35475E-02 ppm1      8.048 ppm2      2.357 CV     1
 ASSI {  163}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 33   and name HG  ))
      4.300     2.300     1.700 peak   163 spectrum    1 weight  0.10000E+01 volume  0.10579E-02 ppm1      8.047 ppm2      1.780 CV     1
 OR {  163}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 33   and name HB1 ))
 ASSI {  164}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
      3.500     1.600     1.600 peak   164 spectrum    1 weight  0.10000E+01 volume  0.16379E-02 ppm1      8.048 ppm2      1.628 CV     1
 ASSI {  165}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HG  ))
      5.400     3.600     0.600 peak   165 spectrum    1 weight  0.10000E+01 volume  0.39409E-03 ppm1      8.046 ppm2      1.184 CV     1
 ASSI {  166}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 31   and name HD2%)
      5.400     3.600     0.600 peak   166 spectrum    1 weight  0.10000E+01 volume  0.32222E-03 ppm1      8.048 ppm2      0.779 CV     1
 ASSI {  167}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 31   and name HD1%)
      5.500     3.800     0.500 peak   167 spectrum    1 weight  0.10000E+01 volume  0.29588E-03 ppm1      8.049 ppm2      0.453 CV     1
 ASSI {  168}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 33   and name HD1%)
      4.700     2.800     1.300 peak   168 spectrum    1 weight  0.10000E+01 volume  0.33356E-03 ppm1      8.051 ppm2      0.955 CV     1
 ASSI {  169}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 58   and name HG1%)
      2.400     0.700     0.700 peak   169 spectrum    1 weight  0.10000E+01 volume  0.55270E-02 ppm1      7.519 ppm2      0.924 CV     1
 ASSI {  170}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
      3.200     1.300     1.300 peak   170 spectrum    1 weight  0.10000E+01 volume  0.15439E-02 ppm1      7.519 ppm2      2.139 CV     1
 ASSI {  172}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 53   and name HB1 ))
      3.800     1.800     1.800 peak   172 spectrum    1 weight  0.10000E+01 volume  0.37637E-03 ppm1      7.520 ppm2      2.495 CV     1
 ASSI {  173}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 53   and name HG2 ))
      4.900     3.000     1.100 peak   173 spectrum    1 weight  0.10000E+01 volume  0.32124E-03 ppm1      7.526 ppm2      2.333 CV     1
 OR {  173}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
 ASSI {  174}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 56   and name HB1 ))
      4.700     2.800     1.300 peak   174 spectrum    1 weight  0.10000E+01 volume  0.37501E-03 ppm1      7.514 ppm2      3.451 CV     1
 ASSI {  176}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      2.800     1.000     1.000 peak   176 spectrum    1 weight  0.10000E+01 volume  0.23503E-02 ppm1      7.520 ppm2      4.683 CV     1
 ASSI {  178}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 56   and name HN  ))
      4.500     2.500     1.500 peak   178 spectrum    1 weight  0.10000E+01 volume  0.65420E-03 ppm1      7.519 ppm2      8.137 CV     1
 ASSI {  181}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 45   and name HD2%)
      5.400     3.600     0.600 peak   181 spectrum    1 weight  0.10000E+01 volume  0.22489E-03 ppm1      8.916 ppm2      0.357 CV     1
 ASSI {  189}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      4.400     2.400     1.600 peak   189 spectrum    1 weight  0.10000E+01 volume  0.59583E-03 ppm1      8.920 ppm2      7.965 CV     1
 ASSI {  191}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 21   and name HG2%)
      3.100     1.200     1.200 peak   191 spectrum    1 weight  0.10000E+01 volume  0.28524E-02 ppm1      8.245 ppm2      1.242 CV     1
 ASSI {  192}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HB1 ))
      3.800     1.800     1.800 peak   192 spectrum    1 weight  0.10000E+01 volume  0.14129E-02 ppm1      8.245 ppm2      2.237 CV     1
 ASSI {  193}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
      3.900     1.900     1.900 peak   193 spectrum    1 weight  0.10000E+01 volume  0.96377E-03 ppm1      8.245 ppm2      2.074 CV     1
 ASSI {  194}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
      5.000     3.100     1.000 peak   194 spectrum    1 weight  0.10000E+01 volume  0.22805E-03 ppm1      8.246 ppm2      2.848 CV     1
 OR {  194}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 22   and name HB1 ))
 ASSI {  195}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HG1 ))
      4.100     2.100     1.900 peak   195 spectrum    1 weight  0.10000E+01 volume  0.67484E-03 ppm1      8.244 ppm2      2.406 CV     1
 OR {  195}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HG2 ))
 ASSI {  197}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      2.400     0.700     0.700 peak   197 spectrum    1 weight  0.10000E+01 volume  0.87942E-02 ppm1      8.245 ppm2      4.482 CV     1
 ASSI {  201}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 57   and name HN  ))
      2.300     0.600     0.600 peak   201 spectrum    1 weight  0.10000E+01 volume  0.48607E-02 ppm1      8.131 ppm2      7.967 CV     1
 ASSI {  203}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 56   and name HE% )
      4.900     3.000     1.100 peak   203 spectrum    1 weight  0.10000E+01 volume  0.34593E-03 ppm1      8.135 ppm2      6.803 CV     1
 ASSI {  207}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HB2 ))
      2.400     0.700     0.700 peak   207 spectrum    1 weight  0.10000E+01 volume  0.33657E-02 ppm1      8.132 ppm2      2.784 CV     1
 ASSI {  208}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HB1 ))
      3.000     1.100     1.100 peak   208 spectrum    1 weight  0.10000E+01 volume  0.10480E-02 ppm1      8.130 ppm2      1.897 CV     1
 ASSI {  209}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
      3.400     1.500     1.500 peak   209 spectrum    1 weight  0.10000E+01 volume  0.20345E-02 ppm1      8.131 ppm2      1.614 CV     1
 ASSI {  210}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HG1 ))
      4.300     2.300     1.700 peak   210 spectrum    1 weight  0.10000E+01 volume  0.57329E-03 ppm1      8.132 ppm2      1.361 CV     1
 ASSI {  212}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 55   and name HB1 ))
      5.200     3.400     0.800 peak   212 spectrum    1 weight  0.10000E+01 volume  0.33056E-03 ppm1      8.029 ppm2      1.893 CV     1
 ASSI {  213}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
      4.400     2.400     1.600 peak   213 spectrum    1 weight  0.10000E+01 volume  0.62061E-03 ppm1      8.031 ppm2      1.631 CV     1
 ASSI {  214}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HB1 ))
      3.500     1.600     1.600 peak   214 spectrum    1 weight  0.10000E+01 volume  0.20481E-02 ppm1      8.032 ppm2      2.506 CV     1
 ASSI {  215}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
      2.500     0.800     0.800 peak   215 spectrum    1 weight  0.10000E+01 volume  0.31279E-02 ppm1      8.032 ppm2      2.352 CV     1
 ASSI {  216}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
      4.500     2.500     1.500 peak   216 spectrum    1 weight  0.10000E+01 volume  0.40145E-03 ppm1      8.033 ppm2      2.201 CV     1
 ASSI {  217}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HG1 ))
      4.200     2.200     1.800 peak   217 spectrum    1 weight  0.10000E+01 volume  0.10077E-02 ppm1      8.032 ppm2      2.761 CV     1
 ASSI {  221}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HN  ))
      2.500     0.800     0.800 peak   221 spectrum    1 weight  0.10000E+01 volume  0.39890E-02 ppm1      8.032 ppm2      8.976 CV     1
 ASSI {  222}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 55   and name HN  ))
      2.500     0.800     0.800 peak   222 spectrum    1 weight  0.10000E+01 volume  0.38586E-02 ppm1      8.035 ppm2      8.093 CV     1
 ASSI {  223}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      2.200     0.600     0.600 peak   223 spectrum    1 weight  0.10000E+01 volume  0.61783E-02 ppm1      7.711 ppm2      7.551 CV     1
 ASSI {  224}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      4.400     2.500     1.600 peak   224 spectrum    1 weight  0.10000E+01 volume  0.38410E-03 ppm1      7.714 ppm2      9.567 CV     1
 ASSI {  225}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      3.700     1.700     1.700 peak   225 spectrum    1 weight  0.10000E+01 volume  0.72478E-03 ppm1      7.711 ppm2      4.810 CV     1
 ASSI {  226}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      2.800     1.000     1.000 peak   226 spectrum    1 weight  0.10000E+01 volume  0.24760E-02 ppm1      7.712 ppm2      4.663 CV     1
 ASSI {  227}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 39   and name HA2 ))
      5.100     3.200     0.900 peak   227 spectrum    1 weight  0.10000E+01 volume  0.37073E-03 ppm1      7.711 ppm2      3.885 CV     1
 ASSI {  229}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 39   and name HA1 ))
      5.100     3.300     0.900 peak   229 spectrum    1 weight  0.10000E+01 volume  0.41820E-03 ppm1      7.711 ppm2      4.267 CV     1
 ASSI {  232}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HB  ))
      3.700     1.700     1.700 peak   232 spectrum    1 weight  0.10000E+01 volume  0.14136E-02 ppm1      7.711 ppm2      2.456 CV     1
 ASSI {  233}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HG11))
      3.100     1.200     1.200 peak   233 spectrum    1 weight  0.10000E+01 volume  0.31043E-02 ppm1      7.711 ppm2      1.823 CV     1
 ASSI {  234}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HG12))
      2.100     0.500     0.500 peak   234 spectrum    1 weight  0.10000E+01 volume  0.37368E-02 ppm1      7.712 ppm2      1.543 CV     1
 ASSI {  235}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 38   and name HD1%)
      4.400     2.400     1.600 peak   235 spectrum    1 weight  0.10000E+01 volume  0.13021E-02 ppm1      7.712 ppm2      0.874 CV     1
 ASSI {  236}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
      2.800     1.000     1.000 peak   236 spectrum    1 weight  0.10000E+01 volume  0.28344E-02 ppm1      7.711 ppm2      1.058 CV     1
 ASSI {  239}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 18   and name HB% )
      4.600     2.600     1.400 peak   239 spectrum    1 weight  0.10000E+01 volume  0.71459E-03 ppm1      7.809 ppm2      1.537 CV     1
 ASSI {  240}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HG2 ))
      4.900     3.000     1.100 peak   240 spectrum    1 weight  0.10000E+01 volume  0.39026E-03 ppm1      7.809 ppm2      2.400 CV     1
 ASSI {  241}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
      2.800     1.000     1.000 peak   241 spectrum    1 weight  0.10000E+01 volume  0.16875E-02 ppm1      7.810 ppm2      2.257 CV     1
 ASSI {  242}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      4.200     2.200     1.800 peak   242 spectrum    1 weight  0.10000E+01 volume  0.11724E-02 ppm1      7.809 ppm2      2.142 CV     1
 ASSI {  243}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HG1 ))
      4.600     2.700     1.400 peak   243 spectrum    1 weight  0.10000E+01 volume  0.30257E-03 ppm1      7.805 ppm2      2.615 CV     1
 ASSI {  244}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      3.300     1.400     1.400 peak   244 spectrum    1 weight  0.10000E+01 volume  0.16631E-02 ppm1      7.810 ppm2      4.204 CV     1
 ASSI {  245}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
      2.600     0.900     0.900 peak   245 spectrum    1 weight  0.10000E+01 volume  0.29590E-02 ppm1      7.810 ppm2      4.144 CV     1
 ASSI {  246}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
      3.300     1.400     1.400 peak   246 spectrum    1 weight  0.10000E+01 volume  0.18277E-02 ppm1      7.809 ppm2      4.050 CV     1
 ASSI {  248}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      2.900     1.000     1.000 peak   248 spectrum    1 weight  0.10000E+01 volume  0.28035E-02 ppm1      7.810 ppm2      4.565 CV     1
 ASSI {  253}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HN  ))
      4.600     2.600     1.400 peak   253 spectrum    1 weight  0.10000E+01 volume  0.33452E-03 ppm1      9.008 ppm2      9.411 CV     1
 ASSI {  254}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HB  ))
      4.100     2.100     1.900 peak   254 spectrum    1 weight  0.10000E+01 volume  0.53507E-03 ppm1      9.007 ppm2      4.857 CV     1
 ASSI {  255}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      3.500     1.600     1.600 peak   255 spectrum    1 weight  0.10000E+01 volume  0.71982E-03 ppm1      9.009 ppm2      4.763 CV     1
 ASSI {  258}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 9    and name HB1 ))
      3.400     1.500     1.500 peak   258 spectrum    1 weight  0.10000E+01 volume  0.30205E-02 ppm1      9.007 ppm2      3.036 CV     1
 ASSI {  260}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HB2 ))
      3.100     1.200     1.200 peak   260 spectrum    1 weight  0.10000E+01 volume  0.78440E-03 ppm1      9.009 ppm2      1.331 CV     1
 ASSI {  261}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HB1 ))
      3.800     1.800     1.800 peak   261 spectrum    1 weight  0.10000E+01 volume  0.19945E-02 ppm1      9.008 ppm2      1.581 CV     1
 OR {  261}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HG  ))
 ASSI {  263}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 26   and name HD2%)
      5.600     3.900     0.400 peak   263 spectrum    1 weight  0.10000E+01 volume  0.20551E-03 ppm1      8.212 ppm2      0.803 CV     1
 ASSI {  265}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HB1 ))
      4.000     2.000     2.000 peak   265 spectrum    1 weight  0.10000E+01 volume  0.64244E-03 ppm1      8.212 ppm2      1.453 CV     1
 ASSI {  266}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
      4.400     2.400     1.600 peak   266 spectrum    1 weight  0.10000E+01 volume  0.52512E-03 ppm1      8.211 ppm2      1.228 CV     1
 ASSI {  267}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
      5.300     3.600     0.700 peak   267 spectrum    1 weight  0.10000E+01 volume  0.23444E-03 ppm1      8.216 ppm2      3.013 CV     1
 ASSI {  268}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
      4.400     2.400     1.600 peak   268 spectrum    1 weight  0.10000E+01 volume  0.21166E-03 ppm1      8.208 ppm2      2.868 CV     1
 ASSI {  269}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      3.700     1.700     1.700 peak   269 spectrum    1 weight  0.10000E+01 volume  0.20263E-03 ppm1      8.212 ppm2      2.754 CV     1
 ASSI {  270}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      2.900     1.100     1.100 peak   270 spectrum    1 weight  0.10000E+01 volume  0.29426E-02 ppm1      8.213 ppm2      3.981 CV     1
 ASSI {  271}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      2.700     0.900     0.900 peak   271 spectrum    1 weight  0.10000E+01 volume  0.36401E-02 ppm1      8.213 ppm2      4.358 CV     1
 ASSI {  273}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      3.600     1.700     1.700 peak   273 spectrum    1 weight  0.10000E+01 volume  0.84550E-03 ppm1      8.212 ppm2      4.711 CV     1
 ASSI {  274}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
      3.600     1.600     1.600 peak   274 spectrum    1 weight  0.10000E+01 volume  0.22281E-02 ppm1      8.213 ppm2      8.561 CV     1
 ASSI {  275}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      2.700     0.900     0.900 peak   275 spectrum    1 weight  0.10000E+01 volume  0.37877E-02 ppm1      8.212 ppm2      8.459 CV     1
 ASSI {  277}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HN  ))
      2.100     0.500     0.500 peak   277 spectrum    1 weight  0.10000E+01 volume  0.72924E-02 ppm1      7.308 ppm2      7.487 CV     1
 ASSI {  278}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 66   and name HN  ))
      4.300     2.300     1.700 peak   278 spectrum    1 weight  0.10000E+01 volume  0.97102E-03 ppm1      7.308 ppm2      8.032 CV     1
 ASSI {  280}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      3.000     1.200     1.200 peak   280 spectrum    1 weight  0.10000E+01 volume  0.24498E-02 ppm1      7.308 ppm2      4.619 CV     1
 ASSI {  281}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 66   and name HA1 ))
      3.300     1.400     1.400 peak   281 spectrum    1 weight  0.10000E+01 volume  0.40336E-03 ppm1      7.308 ppm2      4.116 CV     1
 ASSI {  283}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HB1 ))
      3.600     1.600     1.600 peak   283 spectrum    1 weight  0.10000E+01 volume  0.70588E-03 ppm1      7.310 ppm2      2.077 CV     1
 ASSI {  284}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
      3.500     1.500     1.500 peak   284 spectrum    1 weight  0.10000E+01 volume  0.10164E-02 ppm1      7.308 ppm2      1.856 CV     1
 ASSI {  285}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HG1 ))
      4.100     2.100     1.900 peak   285 spectrum    1 weight  0.10000E+01 volume  0.74296E-03 ppm1      7.308 ppm2      1.752 CV     1
 OR {  285}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HG2 ))
 ASSI {  290}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 45   and name HD2%)
      5.200     3.300     0.800 peak   290 spectrum    1 weight  0.10000E+01 volume  0.47627E-03 ppm1      7.308 ppm2      0.353 CV     1
 ASSI {  291}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 45   and name HD1%)
      4.500     2.500     1.500 peak   291 spectrum    1 weight  0.10000E+01 volume  0.56855E-03 ppm1      7.307 ppm2      0.239 CV     1
 ASSI {  297}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      2.800     0.900     0.900 peak   297 spectrum    1 weight  0.10000E+01 volume  0.25204E-02 ppm1      8.844 ppm2      3.868 CV     1
 ASSI {  298}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HB  ))
      2.600     0.800     0.800 peak   298 spectrum    1 weight  0.10000E+01 volume  0.33103E-02 ppm1      8.843 ppm2      4.319 CV     1
 ASSI {  299}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HB  ))
      2.100     0.600     0.600 peak   299 spectrum    1 weight  0.10000E+01 volume  0.56240E-02 ppm1      8.844 ppm2      4.852 CV     1
 ASSI {  301}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      2.700     0.900     0.900 peak   301 spectrum    1 weight  0.10000E+01 volume  0.26203E-02 ppm1      8.844 ppm2      8.259 CV     1
 ASSI {  303}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      5.100     3.200     0.900 peak   303 spectrum    1 weight  0.10000E+01 volume  0.26354E-03 ppm1      8.838 ppm2      9.016 CV     1
 ASSI {  306}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      3.300     1.400     1.400 peak   306 spectrum    1 weight  0.10000E+01 volume  0.82138E-03 ppm1      8.462 ppm2      4.736 CV     1
 ASSI {  308}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HD1 ))
      5.100     3.300     0.900 peak   308 spectrum    1 weight  0.10000E+01 volume  0.32626E-03 ppm1      8.459 ppm2      3.442 CV     1
 ASSI {  309}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HD2 ))
      5.300     3.500     0.700 peak   309 spectrum    1 weight  0.10000E+01 volume  0.43355E-03 ppm1      8.461 ppm2      3.348 CV     1
 ASSI {  310}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
      3.500     1.500     1.500 peak   310 spectrum    1 weight  0.10000E+01 volume  0.79143E-03 ppm1      8.461 ppm2      3.092 CV     1
 ASSI {  313}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HG1 ))
      2.400     0.700     0.700 peak   313 spectrum    1 weight  0.10000E+01 volume  0.28459E-02 ppm1      8.462 ppm2      1.940 CV     1
 ASSI {  314}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      2.500     0.800     0.800 peak   314 spectrum    1 weight  0.10000E+01 volume  0.28646E-02 ppm1      8.461 ppm2      1.854 CV     1
 ASSI {  315}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HB1 ))
      3.300     1.400     1.400 peak   315 spectrum    1 weight  0.10000E+01 volume  0.14798E-02 ppm1      8.462 ppm2      1.772 CV     1
 OR {  315}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HG  ))
 ASSI {  316}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HG2 ))
      3.900     2.000     2.000 peak   316 spectrum    1 weight  0.10000E+01 volume  0.13350E-02 ppm1      8.460 ppm2      1.617 CV     1
 ASSI {  317}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HB1 ))
      3.700     1.700     1.700 peak   317 spectrum    1 weight  0.10000E+01 volume  0.17770E-02 ppm1      8.461 ppm2      2.173 CV     1
 ASSI {  320}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HB2 ))
      3.700     1.700     1.700 peak   320 spectrum    1 weight  0.10000E+01 volume  0.19278E-02 ppm1      8.461 ppm2      1.404 CV     1
 ASSI {  322}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 22   and name HB1 ))
      4.200     2.200     1.800 peak   322 spectrum    1 weight  0.10000E+01 volume  0.46121E-03 ppm1      8.130 ppm2      2.841 CV     1
 OR {  322}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
 ASSI {  323}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      2.800     1.000     1.000 peak   323 spectrum    1 weight  0.10000E+01 volume  0.29796E-02 ppm1      8.132 ppm2      4.326 CV     1
 ASSI {  327}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      3.600     1.700     1.700 peak   327 spectrum    1 weight  0.10000E+01 volume  0.10921E-02 ppm1      8.132 ppm2      8.607 CV     1
 ASSI {  328}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      2.900     1.000     1.000 peak   328 spectrum    1 weight  0.10000E+01 volume  0.29766E-02 ppm1      8.132 ppm2      8.489 CV     1
 ASSI {  329}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      2.700     0.900     0.900 peak   329 spectrum    1 weight  0.10000E+01 volume  0.29049E-02 ppm1      7.977 ppm2      8.834 CV     1
 ASSI {  330}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      2.400     0.700     0.700 peak   330 spectrum    1 weight  0.10000E+01 volume  0.46643E-02 ppm1      7.977 ppm2      7.708 CV     1
 ASSI {  332}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      4.300     2.300     1.700 peak   332 spectrum    1 weight  0.10000E+01 volume  0.48636E-03 ppm1      7.975 ppm2      4.623 CV     1
 ASSI {  333}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      3.300     1.300     1.300 peak   333 spectrum    1 weight  0.10000E+01 volume  0.11346E-02 ppm1      7.978 ppm2      4.553 CV     1
 ASSI {  337}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HG1 ))
      2.400     0.700     0.700 peak   337 spectrum    1 weight  0.10000E+01 volume  0.30761E-02 ppm1      7.977 ppm2      1.922 CV     1
 ASSI {  341}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 34   and name HG1 ))
      5.200     3.300     0.800 peak   341 spectrum    1 weight  0.10000E+01 volume  0.41398E-03 ppm1      9.564 ppm2      1.946 CV     1
 ASSI {  342}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      3.700     1.700     1.700 peak   342 spectrum    1 weight  0.10000E+01 volume  0.86053E-03 ppm1      9.565 ppm2      1.856 CV     1
 ASSI {  344}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
      2.900     1.100     1.100 peak   344 spectrum    1 weight  0.10000E+01 volume  0.41253E-02 ppm1      9.566 ppm2      2.253 CV     1
 ASSI {  345}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
      2.400     0.700     0.700 peak   345 spectrum    1 weight  0.10000E+01 volume  0.43631E-02 ppm1      9.566 ppm2      2.142 CV     1
 ASSI {  346}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HG2 ))
      3.000     1.100     1.100 peak   346 spectrum    1 weight  0.10000E+01 volume  0.34665E-02 ppm1      9.565 ppm2      2.496 CV     1
 OR {  346}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HG1 ))
 ASSI {  349}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      4.600     2.700     1.400 peak   349 spectrum    1 weight  0.10000E+01 volume  0.41264E-03 ppm1      9.567 ppm2      4.731 CV     1
 ASSI {  352}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      2.600     0.800     0.800 peak   352 spectrum    1 weight  0.10000E+01 volume  0.28657E-02 ppm1      9.566 ppm2      7.552 CV     1
 ASSI {  353}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      2.800     1.000     1.000 peak   353 spectrum    1 weight  0.10000E+01 volume  0.20352E-02 ppm1      9.565 ppm2      8.453 CV     1
 ASSI {  354}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 35   and name HD% )
      4.800     2.800     1.200 peak   354 spectrum    1 weight  0.10000E+01 volume  0.38765E-03 ppm1      9.565 ppm2      7.113 CV     1
 ASSI {  356}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 64   and name HN  ))
      2.500     0.800     0.800 peak   356 spectrum    1 weight  0.10000E+01 volume  0.40864E-02 ppm1      8.623 ppm2      7.396 CV     1
 ASSI {  361}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
      3.100     1.200     1.200 peak   361 spectrum    1 weight  0.10000E+01 volume  0.13333E-02 ppm1      8.622 ppm2      2.061 CV     1
 ASSI {  363}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 64   and name HG2%)
      4.500     2.600     1.500 peak   363 spectrum    1 weight  0.10000E+01 volume  0.73736E-03 ppm1      8.623 ppm2      1.026 CV     1
 ASSI {  364}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 64   and name HB  ))
      4.900     3.000     1.100 peak   364 spectrum    1 weight  0.10000E+01 volume  0.38486E-03 ppm1      8.624 ppm2      2.208 CV     1
 ASSI {  367}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      2.900     1.000     1.000 peak   367 spectrum    1 weight  0.10000E+01 volume  0.20938E-02 ppm1      8.484 ppm2      0.948 CV     1
 ASSI {  368}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      2.900     1.000     1.000 peak   368 spectrum    1 weight  0.10000E+01 volume  0.22582E-02 ppm1      8.482 ppm2      4.840 CV     1
 ASSI {  370}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HN  ))
      2.900     1.000     1.000 peak   370 spectrum    1 weight  0.10000E+01 volume  0.17657E-02 ppm1      7.838 ppm2      9.000 CV     1
 ASSI {  371}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 74   and name HN  ))
      2.500     0.800     0.800 peak   371 spectrum    1 weight  0.10000E+01 volume  0.34806E-02 ppm1      7.837 ppm2      7.713 CV     1
 ASSI {  373}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      3.700     1.700     1.700 peak   373 spectrum    1 weight  0.10000E+01 volume  0.66025E-03 ppm1      7.834 ppm2      3.605 CV     1
 ASSI {  374}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HB1 ))
      3.500     1.500     1.500 peak   374 spectrum    1 weight  0.10000E+01 volume  0.66286E-03 ppm1      7.838 ppm2      1.863 CV     1
 ASSI {  376}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
      3.100     1.200     1.200 peak   376 spectrum    1 weight  0.10000E+01 volume  0.13170E-02 ppm1      7.837 ppm2      1.609 CV     1
 ASSI {  377}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HG1 ))
      3.000     1.200     1.200 peak   377 spectrum    1 weight  0.10000E+01 volume  0.24578E-02 ppm1      7.838 ppm2      2.643 CV     1
 ASSI {  378}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HB1 ))
      3.300     1.400     1.400 peak   378 spectrum    1 weight  0.10000E+01 volume  0.33659E-02 ppm1      7.837 ppm2      2.480 CV     1
 ASSI {  380}
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 83   and name HB% )
      2.700     0.900     0.900 peak   380 spectrum    1 weight  0.10000E+01 volume  0.39739E-02 ppm1      7.742 ppm2      1.604 CV     1
 ASSI {  381}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HG1 ))
      3.700     1.700     1.700 peak   381 spectrum    1 weight  0.10000E+01 volume  0.13932E-02 ppm1      7.741 ppm2      2.541 CV     1
 ASSI {  382}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HG2 ))
      3.500     1.500     1.500 peak   382 spectrum    1 weight  0.10000E+01 volume  0.90594E-03 ppm1      7.742 ppm2      2.459 CV     1
 ASSI {  383}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HB1 ))
      3.300     1.300     1.300 peak   383 spectrum    1 weight  0.10000E+01 volume  0.23028E-02 ppm1      7.742 ppm2      2.278 CV     1
 ASSI {  384}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HB2 ))
      2.500     0.800     0.800 peak   384 spectrum    1 weight  0.10000E+01 volume  0.43689E-02 ppm1      7.742 ppm2      2.129 CV     1
 ASSI {  388}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 83   and name HN  ))
      2.500     0.800     0.800 peak   388 spectrum    1 weight  0.10000E+01 volume  0.42427E-02 ppm1      7.742 ppm2      7.955 CV     1
 ASSI {  389}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 85   and name HN  ))
      2.500     0.800     0.800 peak   389 spectrum    1 weight  0.10000E+01 volume  0.57372E-02 ppm1      7.742 ppm2      7.838 CV     1
 ASSI {  392}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      2.700     0.900     0.900 peak   392 spectrum    1 weight  0.10000E+01 volume  0.32890E-02 ppm1      7.487 ppm2      4.620 CV     1
 ASSI {  393}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HA2 ))
      2.900     1.100     1.100 peak   393 spectrum    1 weight  0.10000E+01 volume  0.18201E-02 ppm1      7.486 ppm2      3.890 CV     1
 ASSI {  394}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      3.200     1.300     1.300 peak   394 spectrum    1 weight  0.10000E+01 volume  0.13568E-02 ppm1      7.486 ppm2      3.823 CV     1
 ASSI {  395}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HA1 ))
      3.300     1.400     1.400 peak   395 spectrum    1 weight  0.10000E+01 volume  0.15392E-02 ppm1      7.486 ppm2      4.115 CV     1
 ASSI {  396}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      3.400     1.500     1.500 peak   396 spectrum    1 weight  0.10000E+01 volume  0.85955E-03 ppm1      7.487 ppm2      3.986 CV     1
 ASSI {  397}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HB1 ))
      3.100     1.200     1.200 peak   397 spectrum    1 weight  0.10000E+01 volume  0.23620E-02 ppm1      7.486 ppm2      2.078 CV     1
 ASSI {  398}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
      2.500     0.800     0.800 peak   398 spectrum    1 weight  0.10000E+01 volume  0.40995E-02 ppm1      7.486 ppm2      1.856 CV     1
 ASSI {  399}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HG1 ))
      3.000     1.200     1.200 peak   399 spectrum    1 weight  0.10000E+01 volume  0.33120E-02 ppm1      7.486 ppm2      1.757 CV     1
 OR {  399}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HG2 ))
 ASSI {  401}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 65   and name HB% )
      3.100     1.200     1.200 peak   401 spectrum    1 weight  0.10000E+01 volume  0.59365E-03 ppm1      7.486 ppm2      1.387 CV     1
 ASSI {  403}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 68   and name HG1%)
      4.400     2.400     1.600 peak   403 spectrum    1 weight  0.10000E+01 volume  0.78609E-03 ppm1      7.487 ppm2      1.130 CV     1
 ASSI {  405}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      4.400     2.400     1.600 peak   405 spectrum    1 weight  0.10000E+01 volume  0.80782E-03 ppm1      9.003 ppm2      1.026 CV     1
 ASSI {  406}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HB2 ))
      2.800     1.000     1.000 peak   406 spectrum    1 weight  0.10000E+01 volume  0.13185E-02 ppm1      8.998 ppm2      2.017 CV     1
 ASSI {  407}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HB1 ))
      3.100     1.200     1.200 peak   407 spectrum    1 weight  0.10000E+01 volume  0.27542E-02 ppm1      9.000 ppm2      1.865 CV     1
 ASSI {  409}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HG2 ))
      3.500     1.600     1.600 peak   409 spectrum    1 weight  0.10000E+01 volume  0.88209E-03 ppm1      9.001 ppm2      1.511 CV     1
 ASSI {  415}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 70   and name HB  ))
      3.000     1.100     1.100 peak   415 spectrum    1 weight  0.10000E+01 volume  0.12799E-02 ppm1      9.001 ppm2      4.620 CV     1
 ASSI {  418}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
      3.200     1.300     1.300 peak   418 spectrum    1 weight  0.10000E+01 volume  0.21342E-02 ppm1      8.874 ppm2      0.868 CV     1
 ASSI {  421}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HB  ))
      2.200     0.600     0.600 peak   421 spectrum    1 weight  0.10000E+01 volume  0.42124E-02 ppm1      8.873 ppm2      1.937 CV     1
 ASSI {  422}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HG12))
      4.900     3.000     1.100 peak   422 spectrum    1 weight  0.10000E+01 volume  0.41862E-03 ppm1      8.872 ppm2      1.288 CV     1
 ASSI {  424}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HB1 ))
      2.900     1.100     1.100 peak   424 spectrum    1 weight  0.10000E+01 volume  0.43476E-02 ppm1      8.873 ppm2      3.086 CV     1
 ASSI {  425}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HB2 ))
      2.700     0.900     0.900 peak   425 spectrum    1 weight  0.10000E+01 volume  0.22121E-02 ppm1      8.873 ppm2      2.768 CV     1
 ASSI {  426}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 80   and name HA1 ))
      4.900     3.000     1.100 peak   426 spectrum    1 weight  0.10000E+01 volume  0.48483E-03 ppm1      8.872 ppm2      4.022 CV     1
 OR {  426}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 80   and name HA2 ))
 ASSI {  428}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      3.400     1.500     1.500 peak   428 spectrum    1 weight  0.10000E+01 volume  0.10559E-02 ppm1      8.872 ppm2      3.739 CV     1
 ASSI {  429}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      2.500     0.800     0.800 peak   429 spectrum    1 weight  0.10000E+01 volume  0.27466E-02 ppm1      8.873 ppm2      4.905 CV     1
 ASSI {  432}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HN  ))
      2.500     0.800     0.800 peak   432 spectrum    1 weight  0.10000E+01 volume  0.44626E-02 ppm1      8.873 ppm2      8.272 CV     1
 ASSI {  433}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
      2.600     0.800     0.800 peak   433 spectrum    1 weight  0.10000E+01 volume  0.36971E-02 ppm1      8.694 ppm2      8.005 CV     1
 ASSI {  435}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      2.500     0.800     0.800 peak   435 spectrum    1 weight  0.10000E+01 volume  0.31872E-02 ppm1      8.671 ppm2      4.281 CV     1
 ASSI {  436}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HB  ))
      3.300     1.300     1.300 peak   436 spectrum    1 weight  0.10000E+01 volume  0.16256E-02 ppm1      8.669 ppm2      4.185 CV     1
 ASSI {  438}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      3.400     1.400     1.400 peak   438 spectrum    1 weight  0.10000E+01 volume  0.10520E-02 ppm1      8.695 ppm2      3.884 CV     1
 ASSI {  439}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      3.700     1.700     1.700 peak   439 spectrum    1 weight  0.10000E+01 volume  0.68639E-03 ppm1      8.693 ppm2      3.609 CV     1
 ASSI {  440}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HB1 ))
      2.700     0.900     0.900 peak   440 spectrum    1 weight  0.10000E+01 volume  0.46696E-02 ppm1      8.694 ppm2      2.776 CV     1
 ASSI {  441}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HB1 ))
      2.400     0.800     0.800 peak   441 spectrum    1 weight  0.10000E+01 volume  0.40134E-02 ppm1      8.695 ppm2      2.194 CV     1
 ASSI {  442}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HG  ))
      3.400     1.500     1.500 peak   442 spectrum    1 weight  0.10000E+01 volume  0.10794E-02 ppm1      8.687 ppm2      1.677 CV     1
 ASSI {  443}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HB2 ))
      3.600     1.600     1.600 peak   443 spectrum    1 weight  0.10000E+01 volume  0.21835E-02 ppm1      8.694 ppm2      1.546 CV     1
 ASSI {  449}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 14   and name HD2%)
      4.300     2.300     1.700 peak   449 spectrum    1 weight  0.10000E+01 volume  0.14004E-02 ppm1      8.403 ppm2      0.889 CV     1
 ASSI {  454}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      3.400     1.400     1.400 peak   454 spectrum    1 weight  0.10000E+01 volume  0.89004E-03 ppm1      8.401 ppm2      3.514 CV     1
 ASSI {  456}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      2.500     0.800     0.800 peak   456 spectrum    1 weight  0.10000E+01 volume  0.47054E-02 ppm1      8.403 ppm2      7.707 CV     1
 ASSI {  457}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
      2.600     0.900     0.900 peak   457 spectrum    1 weight  0.10000E+01 volume  0.41494E-02 ppm1      8.320 ppm2      8.756 CV     1
 ASSI {  458}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      2.400     0.700     0.700 peak   458 spectrum    1 weight  0.10000E+01 volume  0.49201E-02 ppm1      8.320 ppm2      8.501 CV     1
 ASSI {  459}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      2.500     0.800     0.800 peak   459 spectrum    1 weight  0.10000E+01 volume  0.41153E-02 ppm1      8.406 ppm2      8.468 CV     1
 ASSI {  460}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      2.800     1.000     1.000 peak   460 spectrum    1 weight  0.10000E+01 volume  0.27457E-02 ppm1      8.320 ppm2      3.955 CV     1
 ASSI {  461}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HB  ))
      2.500     0.800     0.800 peak   461 spectrum    1 weight  0.10000E+01 volume  0.39702E-02 ppm1      8.320 ppm2      4.418 CV     1
 ASSI {  462}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      3.700     1.700     1.700 peak   462 spectrum    1 weight  0.10000E+01 volume  0.10143E-02 ppm1      8.320 ppm2      4.312 CV     1
 ASSI {  463}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      3.400     1.500     1.500 peak   463 spectrum    1 weight  0.10000E+01 volume  0.12698E-02 ppm1      8.320 ppm2      4.238 CV     1
 ASSI {  465}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HB2 ))
      3.800     1.800     1.800 peak   465 spectrum    1 weight  0.10000E+01 volume  0.21904E-02 ppm1      8.319 ppm2      2.203 CV     1
 ASSI {  467}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 48   and name HG2%)
      3.900     1.900     1.900 peak   467 spectrum    1 weight  0.10000E+01 volume  0.15883E-02 ppm1      8.319 ppm2      1.125 CV     1
 ASSI {  468}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HG2 ))
      4.500     2.500     1.500 peak   468 spectrum    1 weight  0.10000E+01 volume  0.56849E-03 ppm1      8.318 ppm2      2.460 CV     1
 ASSI {  469}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HG1 ))
      4.300     2.300     1.700 peak   469 spectrum    1 weight  0.10000E+01 volume  0.55532E-03 ppm1      8.319 ppm2      2.610 CV     1
 ASSI {  470}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
      4.100     2.100     1.900 peak   470 spectrum    1 weight  0.10000E+01 volume  0.73071E-03 ppm1      7.552 ppm2      1.060 CV     1
 ASSI {  471}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      2.700     0.900     0.900 peak   471 spectrum    1 weight  0.10000E+01 volume  0.18791E-02 ppm1      7.552 ppm2      1.852 CV     1
 ASSI {  472}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
      2.700     0.900     0.900 peak   472 spectrum    1 weight  0.10000E+01 volume  0.37576E-02 ppm1      7.552 ppm2      3.089 CV     1
 ASSI {  474}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HG2 ))
      3.200     1.300     1.300 peak   474 spectrum    1 weight  0.10000E+01 volume  0.14246E-02 ppm1      7.553 ppm2      2.496 CV     1
 OR {  474}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HG1 ))
 ASSI {  475}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
      3.500     1.500     1.500 peak   475 spectrum    1 weight  0.10000E+01 volume  0.10493E-02 ppm1      7.552 ppm2      2.257 CV     1
 ASSI {  477}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      3.100     1.200     1.200 peak   477 spectrum    1 weight  0.10000E+01 volume  0.19043E-02 ppm1      7.553 ppm2      4.808 CV     1
 ASSI {  482}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 65   and name HN  ))
      2.500     0.800     0.800 peak   482 spectrum    1 weight  0.10000E+01 volume  0.50976E-02 ppm1      7.397 ppm2      8.225 CV     1
 ASSI {  484}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      4.000     2.000     2.000 peak   484 spectrum    1 weight  0.10000E+01 volume  0.93851E-03 ppm1      7.508 ppm2      4.849 CV     1
 ASSI {  485}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      3.400     1.500     1.500 peak   485 spectrum    1 weight  0.10000E+01 volume  0.67740E-03 ppm1      7.506 ppm2      4.742 CV     1
 ASSI {  488}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      2.800     0.900     0.900 peak   488 spectrum    1 weight  0.10000E+01 volume  0.29757E-02 ppm1      7.396 ppm2      3.818 CV     1
 ASSI {  491}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
      2.900     1.000     1.000 peak   491 spectrum    1 weight  0.10000E+01 volume  0.16083E-02 ppm1      7.396 ppm2      2.060 CV     1
 ASSI {  492}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HB1 ))
      4.300     2.400     1.700 peak   492 spectrum    1 weight  0.10000E+01 volume  0.51889E-03 ppm1      7.395 ppm2      2.836 CV     1
 ASSI {  493}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
      3.400     1.500     1.500 peak   493 spectrum    1 weight  0.10000E+01 volume  0.60389E-03 ppm1      7.396 ppm2      2.745 CV     1
 ASSI {  497}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 65   and name HB% )
      4.400     2.400     1.600 peak   497 spectrum    1 weight  0.10000E+01 volume  0.70229E-03 ppm1      7.396 ppm2      1.392 CV     1
 ASSI {  501}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 31   and name HD2%)
      2.800     1.000     1.000 peak   501 spectrum    1 weight  0.10000E+01 volume  0.15385E-02 ppm1      7.507 ppm2      0.782 CV     1
 ASSI {  502}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
      3.100     1.200     1.200 peak   502 spectrum    1 weight  0.10000E+01 volume  0.43949E-02 ppm1      7.507 ppm2      1.629 CV     1
 ASSI {  508}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 45   and name HD2%)
      5.000     3.100     1.000 peak   508 spectrum    1 weight  0.10000E+01 volume  0.48694E-03 ppm1      8.235 ppm2      0.355 CV     1
 ASSI {  509}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 45   and name HD1%)
      5.000     3.200     1.000 peak   509 spectrum    1 weight  0.10000E+01 volume  0.45567E-03 ppm1      8.235 ppm2      0.244 CV     1
 ASSI {  512}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HB1 ))
      3.500     1.500     1.500 peak   512 spectrum    1 weight  0.10000E+01 volume  0.30343E-02 ppm1      8.976 ppm2      2.509 CV     1
 ASSI {  513}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
      2.300     0.700     0.700 peak   513 spectrum    1 weight  0.10000E+01 volume  0.48802E-02 ppm1      8.976 ppm2      2.346 CV     1
 ASSI {  514}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
      3.200     1.300     1.300 peak   514 spectrum    1 weight  0.10000E+01 volume  0.28806E-02 ppm1      8.976 ppm2      2.213 CV     1
 ASSI {  515}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HG  ))
      4.100     2.100     1.900 peak   515 spectrum    1 weight  0.10000E+01 volume  0.92075E-03 ppm1      8.978 ppm2      2.039 CV     1
 ASSI {  516}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HG1 ))
      2.200     0.600     0.600 peak   516 spectrum    1 weight  0.10000E+01 volume  0.43853E-02 ppm1      8.976 ppm2      2.762 CV     1
 ASSI {  519}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      3.800     1.800     1.800 peak   519 spectrum    1 weight  0.10000E+01 volume  0.71966E-03 ppm1      8.975 ppm2      3.948 CV     1
 ASSI {  521}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      2.300     0.700     0.700 peak   521 spectrum    1 weight  0.10000E+01 volume  0.44173E-02 ppm1      8.976 ppm2      8.411 CV     1
 ASSI {  523}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      2.400     0.700     0.700 peak   523 spectrum    1 weight  0.10000E+01 volume  0.45326E-02 ppm1      8.834 ppm2      8.076 CV     1
 ASSI {  527}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      3.900     1.900     1.900 peak   527 spectrum    1 weight  0.10000E+01 volume  0.50214E-03 ppm1      8.833 ppm2      7.712 CV     1
 ASSI {  528}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      3.200     1.200     1.200 peak   528 spectrum    1 weight  0.10000E+01 volume  0.17917E-02 ppm1      8.834 ppm2      4.622 CV     1
 ASSI {  529}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      3.900     1.900     1.900 peak   529 spectrum    1 weight  0.10000E+01 volume  0.56588E-03 ppm1      8.832 ppm2      3.863 CV     1
 ASSI {  532}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      3.300     1.400     1.400 peak   532 spectrum    1 weight  0.10000E+01 volume  0.10972E-02 ppm1      8.835 ppm2      4.212 CV     1
 ASSI {  533}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HB1 ))
      2.600     0.800     0.800 peak   533 spectrum    1 weight  0.10000E+01 volume  0.29635E-02 ppm1      8.834 ppm2      2.335 CV     1
 ASSI {  534}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
      2.200     0.600     0.600 peak   534 spectrum    1 weight  0.10000E+01 volume  0.80504E-02 ppm1      8.834 ppm2      2.040 CV     1
 OR {  534}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
 ASSI {  535}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HG  ))
      3.500     1.600     1.600 peak   535 spectrum    1 weight  0.10000E+01 volume  0.10797E-02 ppm1      8.835 ppm2      1.897 CV     1
 ASSI {  536}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      3.700     1.700     1.700 peak   536 spectrum    1 weight  0.10000E+01 volume  0.17671E-02 ppm1      8.834 ppm2      1.566 CV     1
 ASSI {  545}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      2.500     0.800     0.800 peak   545 spectrum    1 weight  0.10000E+01 volume  0.39085E-02 ppm1      8.115 ppm2      8.412 CV     1
 ASSI {  546}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
      2.600     0.900     0.900 peak   546 spectrum    1 weight  0.10000E+01 volume  0.41558E-02 ppm1      7.708 ppm2      2.021 CV     1
 OR {  546}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HB1 ))
 ASSI {  555}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HB2 ))
      2.400     0.700     0.700 peak   555 spectrum    1 weight  0.10000E+01 volume  0.64718E-02 ppm1      8.234 ppm2      2.332 CV     1
 OR {  555}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HB1 ))
 ASSI {  556}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HG1 ))
      2.500     0.800     0.800 peak   556 spectrum    1 weight  0.10000E+01 volume  0.23558E-02 ppm1      8.235 ppm2      2.846 CV     1
 ASSI {  557}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HG2 ))
      3.900     1.900     1.900 peak   557 spectrum    1 weight  0.10000E+01 volume  0.15929E-02 ppm1      8.233 ppm2      2.756 CV     1
 ASSI {  558}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HG1 ))
      3.500     1.600     1.600 peak   558 spectrum    1 weight  0.10000E+01 volume  0.34599E-02 ppm1      8.221 ppm2      2.620 CV     1
 ASSI {  564}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HG  ))
      4.300     2.400     1.700 peak   564 spectrum    1 weight  0.10000E+01 volume  0.66831E-03 ppm1      8.232 ppm2      1.348 CV     1
 ASSI {  569}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      2.500     0.800     0.800 peak   569 spectrum    1 weight  0.10000E+01 volume  0.38200E-02 ppm1      8.233 ppm2      8.497 CV     1
 ASSI {  574}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 81   and name HN  ))
      2.400     0.700     0.700 peak   574 spectrum    1 weight  0.10000E+01 volume  0.48784E-02 ppm1      8.281 ppm2      7.593 CV     1
 ASSI {  575}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
      2.400     0.700     0.700 peak   575 spectrum    1 weight  0.10000E+01 volume  0.51695E-02 ppm1      8.273 ppm2      8.000 CV     1
 ASSI {  579}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 6    and name HB  ))
      3.300     1.300     1.300 peak   579 spectrum    1 weight  0.10000E+01 volume  0.17936E-02 ppm1      8.257 ppm2      4.854 CV     1
 ASSI {  580}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      2.800     1.000     1.000 peak   580 spectrum    1 weight  0.10000E+01 volume  0.28698E-02 ppm1      8.257 ppm2      4.622 CV     1
 ASSI {  582}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      2.700     0.900     0.900 peak   582 spectrum    1 weight  0.10000E+01 volume  0.44232E-02 ppm1      8.221 ppm2      4.208 CV     1
 ASSI {  585}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HA  ))
      2.700     0.900     0.900 peak   585 spectrum    1 weight  0.10000E+01 volume  0.25950E-02 ppm1      8.281 ppm2      4.212 CV     1
 ASSI {  586}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      3.500     1.500     1.500 peak   586 spectrum    1 weight  0.10000E+01 volume  0.95789E-03 ppm1      8.222 ppm2      4.030 CV     1
 ASSI {  592}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HG11))
      3.400     1.400     1.400 peak   592 spectrum    1 weight  0.10000E+01 volume  0.48318E-02 ppm1      8.273 ppm2      1.724 CV     1
 ASSI {  595}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
      3.500     1.500     1.500 peak   595 spectrum    1 weight  0.10000E+01 volume  0.15996E-02 ppm1      8.256 ppm2      1.394 CV     1
 ASSI {  596}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HG12))
      2.400     0.700     0.700 peak   596 spectrum    1 weight  0.10000E+01 volume  0.26065E-02 ppm1      8.273 ppm2      1.288 CV     1
 ASSI {  605}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HB1 ))
      3.400     1.500     1.500 peak   605 spectrum    1 weight  0.10000E+01 volume  0.38666E-02 ppm1      9.099 ppm2      3.011 CV     1
 ASSI {  607}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HB  ))
      3.300     1.300     1.300 peak   607 spectrum    1 weight  0.10000E+01 volume  0.25883E-02 ppm1      9.100 ppm2      2.412 CV     1
 ASSI {  608}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 73   and name HB2 ))
      3.800     1.800     1.800 peak   608 spectrum    1 weight  0.10000E+01 volume  0.84724E-03 ppm1      9.101 ppm2      2.272 CV     1
 ASSI {  611}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 70   and name HN  ))
      2.400     0.700     0.700 peak   611 spectrum    1 weight  0.10000E+01 volume  0.59278E-02 ppm1      9.100 ppm2      7.472 CV     1
 ASSI {  612}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HN  ))
      4.500     2.500     1.500 peak   612 spectrum    1 weight  0.10000E+01 volume  0.43470E-03 ppm1      9.096 ppm2      7.313 CV     1
 ASSI {  619}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      3.500     1.500     1.500 peak   619 spectrum    1 weight  0.10000E+01 volume  0.93911E-03 ppm1      8.416 ppm2      4.233 CV     1
 ASSI {  620}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      3.100     1.200     1.200 peak   620 spectrum    1 weight  0.10000E+01 volume  0.14347E-02 ppm1      8.414 ppm2      3.950 CV     1
 ASSI {  622}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HA1 ))
      2.600     0.800     0.800 peak   622 spectrum    1 weight  0.10000E+01 volume  0.63999E-02 ppm1      8.476 ppm2      4.057 CV     1
 OR {  622}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HA2 ))
 ASSI {  627}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HG1 ))
      3.900     1.900     1.900 peak   627 spectrum    1 weight  0.10000E+01 volume  0.23178E-02 ppm1      8.500 ppm2      2.609 CV     1
 ASSI {  631}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HB1 ))
      2.500     2.500     3.500 peak   631 spectrum    1 weight  0.10000E+01 volume  0.20935E-02 ppm1      8.467 ppm2      1.985 CV     1
 ASSI {  632}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
      3.900     1.900     1.900 peak   632 spectrum    1 weight  0.10000E+01 volume  0.13895E-02 ppm1      8.465 ppm2      1.436 CV     1
 ASSI {  633}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HB2 ))
      2.700     0.900     0.900 peak   633 spectrum    1 weight  0.10000E+01 volume  0.20068E-02 ppm1      8.415 ppm2      1.443 CV     1
 ASSI {  637}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 52   and name HD2%)
      3.700     1.700     1.700 peak   637 spectrum    1 weight  0.10000E+01 volume  0.15978E-02 ppm1      8.414 ppm2      1.039 CV     1
 ASSI {  641}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
      3.000     1.100     1.100 peak   641 spectrum    1 weight  0.10000E+01 volume  0.34520E-02 ppm1      8.477 ppm2      2.073 CV     1
 ASSI {  644}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      3.400     1.500     1.500 peak   644 spectrum    1 weight  0.10000E+01 volume  0.12335E-02 ppm1      8.082 ppm2      4.380 CV     1
 ASSI {  645}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      3.200     1.300     1.300 peak   645 spectrum    1 weight  0.10000E+01 volume  0.11955E-02 ppm1      8.082 ppm2      4.303 CV     1
 ASSI {  647}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HG1 ))
      3.900     1.900     1.900 peak   647 spectrum    1 weight  0.10000E+01 volume  0.14352E-02 ppm1      8.082 ppm2      1.359 CV     1
 ASSI {  652}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 68   and name HG2%)
      3.900     1.900     1.900 peak   652 spectrum    1 weight  0.10000E+01 volume  0.98539E-03 ppm1      7.707 ppm2      1.222 CV     1
 ASSI {  654}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 74   and name HD2%)
      4.100     2.100     1.900 peak   654 spectrum    1 weight  0.10000E+01 volume  0.13732E-02 ppm1      7.706 ppm2      1.064 CV     1
 OR {  654}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 74   and name HD1%)
 ASSI {  658}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 75   and name HB1 ))
      4.500     2.600     1.500 peak   658 spectrum    1 weight  0.10000E+01 volume  0.42879E-03 ppm1      7.707 ppm2      2.181 CV     1
 ASSI {  660}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HB1 ))
      3.100     1.200     1.200 peak   660 spectrum    1 weight  0.10000E+01 volume  0.37154E-02 ppm1      7.891 ppm2      3.036 CV     1
 ASSI {  661}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      3.600     1.700     1.700 peak   661 spectrum    1 weight  0.10000E+01 volume  0.82464E-03 ppm1      7.892 ppm2      4.617 CV     1
 ASSI {  664}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      2.500     0.800     0.800 peak   664 spectrum    1 weight  0.10000E+01 volume  0.42883E-02 ppm1      7.893 ppm2      8.075 CV     1
 ASSI {  665}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      2.700     0.900     0.900 peak   665 spectrum    1 weight  0.10000E+01 volume  0.28301E-02 ppm1      7.892 ppm2      8.256 CV     1
 ASSI {  666}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      3.500     1.600     1.600 peak   666 spectrum    1 weight  0.10000E+01 volume  0.98920E-03 ppm1      7.894 ppm2      9.010 CV     1
 ASSI {  668}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 75   and name HN  ))
      2.500     0.800     0.800 peak   668 spectrum    1 weight  0.10000E+01 volume  0.41673E-02 ppm1      7.707 ppm2      8.722 CV     1
 ASSI {  672}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      3.500     1.500     1.500 peak   672 spectrum    1 weight  0.10000E+01 volume  0.80324E-03 ppm1      8.725 ppm2      3.606 CV     1
 ASSI {  673}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      3.700     1.700     1.700 peak   673 spectrum    1 weight  0.10000E+01 volume  0.61859E-03 ppm1      8.728 ppm2      4.304 CV     1
 ASSI {  675}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HB1 ))
      2.500     0.800     0.800 peak   675 spectrum    1 weight  0.10000E+01 volume  0.37020E-02 ppm1      8.726 ppm2      2.194 CV     1
 ASSI {  678}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HB2 ))
      2.600     0.900     0.900 peak   678 spectrum    1 weight  0.10000E+01 volume  0.29616E-02 ppm1      8.725 ppm2      1.545 CV     1
 ASSI {  679}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 75   and name HD2%)
      4.700     2.800     1.300 peak   679 spectrum    1 weight  0.10000E+01 volume  0.79181E-03 ppm1      8.729 ppm2      0.877 CV     1
 ASSI {  680}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 75   and name HD1%)
      4.500     2.500     1.500 peak   680 spectrum    1 weight  0.10000E+01 volume  0.88710E-03 ppm1      8.727 ppm2      0.792 CV     1
 ASSI {  681}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 74   and name HD2%)
      3.900     1.900     1.900 peak   681 spectrum    1 weight  0.10000E+01 volume  0.84899E-03 ppm1      8.725 ppm2      1.051 CV     1
 OR {  681}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 74   and name HD1%)
 ASSI {  683}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 45   and name HD2%)
      3.900     1.900     1.900 peak   683 spectrum    1 weight  0.10000E+01 volume  0.94640E-03 ppm1      8.444 ppm2      0.356 CV     1
 ASSI {  685}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HB1 ))
      3.200     1.200     1.200 peak   685 spectrum    1 weight  0.10000E+01 volume  0.44503E-02 ppm1      8.444 ppm2      1.647 CV     1
 ASSI {  692}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 40   and name HD% )
      3.800     1.800     1.800 peak   692 spectrum    1 weight  0.10000E+01 volume  0.56300E-03 ppm1      8.445 ppm2      6.970 CV     1
 ASSI {  693}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 40   and name HE% )
      4.200     2.300     1.800 peak   693 spectrum    1 weight  0.10000E+01 volume  0.45743E-03 ppm1      8.447 ppm2      6.739 CV     1
 ASSI {  694}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
      2.400     0.700     0.700 peak   694 spectrum    1 weight  0.10000E+01 volume  0.44863E-02 ppm1      8.444 ppm2      8.236 CV     1
 ASSI {  695}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HN  ))
      2.400     0.700     0.700 peak   695 spectrum    1 weight  0.10000E+01 volume  0.52678E-02 ppm1      8.444 ppm2      8.138 CV     1
 ASSI {  697}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HN  ))
      2.500     0.800     0.800 peak   697 spectrum    1 weight  0.10000E+01 volume  0.35820E-02 ppm1      7.958 ppm2      8.281 CV     1
 ASSI {  700}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      3.400     1.400     1.400 peak   700 spectrum    1 weight  0.10000E+01 volume  0.46955E-03 ppm1      7.962 ppm2      4.907 CV     1
 ASSI {  701}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 80   and name HA2 ))
      3.400     1.400     1.400 peak   701 spectrum    1 weight  0.10000E+01 volume  0.68671E-03 ppm1      7.960 ppm2      4.028 CV     1
 OR {  701}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 80   and name HA1 ))
 ASSI {  705}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      3.500     1.500     1.500 peak   705 spectrum    1 weight  0.10000E+01 volume  0.12217E-02 ppm1      8.074 ppm2      4.546 CV     1
 ASSI {  707}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
      2.900     1.000     1.000 peak   707 spectrum    1 weight  0.10000E+01 volume  0.21786E-02 ppm1      8.076 ppm2      2.702 CV     1
 ASSI {  709}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HB1 ))
      2.400     0.700     0.700 peak   709 spectrum    1 weight  0.10000E+01 volume  0.48861E-02 ppm1      8.075 ppm2      2.337 CV     1
 ASSI {  712}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HB1 ))
      3.700     1.700     1.700 peak   712 spectrum    1 weight  0.10000E+01 volume  0.14872E-02 ppm1      7.960 ppm2      2.006 CV     1
 ASSI {  713}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HG  ))
      4.700     2.700     1.300 peak   713 spectrum    1 weight  0.10000E+01 volume  0.46066E-03 ppm1      7.963 ppm2      1.843 CV     1
 ASSI {  719}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 10   and name HD1%)
      4.200     2.200     1.800 peak   719 spectrum    1 weight  0.10000E+01 volume  0.13705E-02 ppm1      8.075 ppm2      1.044 CV     1
 ASSI {  721}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 5    and name HD2%)
      3.700     1.700     1.700 peak   721 spectrum    1 weight  0.10000E+01 volume  0.10036E-02 ppm1      8.075 ppm2      0.640 CV     1
 ASSI {  723}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 38   and name HG11))
      3.200     1.300     1.300 peak   723 spectrum    1 weight  0.10000E+01 volume  0.12328E-02 ppm1      8.059 ppm2      1.822 CV     1
 ASSI {  729}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 35   and name HB1 ))
      4.300     2.300     1.700 peak   729 spectrum    1 weight  0.10000E+01 volume  0.67174E-03 ppm1      8.059 ppm2      3.591 CV     1
 ASSI {  730}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 40   and name HD% )
      3.400     1.500     1.500 peak   730 spectrum    1 weight  0.10000E+01 volume  0.21467E-02 ppm1      8.059 ppm2      6.970 CV     1
 ASSI {  732}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      3.300     1.300     1.300 peak   732 spectrum    1 weight  0.10000E+01 volume  0.19736E-02 ppm1      8.491 ppm2      8.238 CV     1
 ASSI {  738}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      3.200     1.300     1.300 peak   738 spectrum    1 weight  0.10000E+01 volume  0.15451E-02 ppm1      8.487 ppm2      4.725 CV     1
 ASSI {  739}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      3.500     1.500     1.500 peak   739 spectrum    1 weight  0.10000E+01 volume  0.13255E-02 ppm1      8.225 ppm2      3.818 CV     1
 ASSI {  740}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      2.700     0.900     0.900 peak   740 spectrum    1 weight  0.10000E+01 volume  0.29368E-02 ppm1      8.224 ppm2      3.986 CV     1
 ASSI {  741}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
      2.800     0.900     0.900 peak   741 spectrum    1 weight  0.10000E+01 volume  0.51385E-02 ppm1      8.490 ppm2      2.837 CV     1
 OR {  741}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HB1 ))
 ASSI {  742}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HB  ))
      2.400     0.700     0.700 peak   742 spectrum    1 weight  0.10000E+01 volume  0.34519E-02 ppm1      8.224 ppm2      2.212 CV     1
 ASSI {  743}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 21   and name HG2%)
      3.900     1.900     1.900 peak   743 spectrum    1 weight  0.10000E+01 volume  0.91509E-03 ppm1      8.489 ppm2      1.241 CV     1
 ASSI {  745}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 65   and name HB% )
      2.200     0.600     0.600 peak   745 spectrum    1 weight  0.10000E+01 volume  0.83254E-02 ppm1      8.224 ppm2      1.392 CV     1
 ASSI {  746}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 31   and name HD2%)
      3.600     1.600     1.600 peak   746 spectrum    1 weight  0.10000E+01 volume  0.36387E-03 ppm1      8.047 ppm2      0.784 CV     1
 ASSI {  748}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 31   and name HG  ))
      5.200     3.300     0.800 peak   748 spectrum    1 weight  0.10000E+01 volume  0.69940E-03 ppm1      8.048 ppm2      1.190 CV     1
 ASSI {  749}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 31   and name HD1%)
      5.300     3.400     0.700 peak   749 spectrum    1 weight  0.10000E+01 volume  0.30851E-03 ppm1      8.047 ppm2      0.453 CV     1
 ASSI {  750}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
      5.800     4.200     0.200 peak   750 spectrum    1 weight  0.10000E+01 volume  0.46094E-03 ppm1      8.046 ppm2      1.631 CV     1
 ASSI {  754}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      2.100     0.600     0.600 peak   754 spectrum    1 weight  0.10000E+01 volume  0.79257E-02 ppm1      8.048 ppm2      4.848 CV     1
 ASSI {  755}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      3.000     1.100     1.100 peak   755 spectrum    1 weight  0.10000E+01 volume  0.15352E-02 ppm1      8.047 ppm2      4.747 CV     1
 ASSI {  756}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 30   and name HD% )
      2.300     0.700     0.700 peak   756 spectrum    1 weight  0.10000E+01 volume  0.53310E-02 ppm1      8.048 ppm2      7.307 CV     1
 ASSI {  757}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      2.100     0.600     0.600 peak   757 spectrum    1 weight  0.10000E+01 volume  0.57743E-02 ppm1      8.048 ppm2      7.507 CV     1
 ASSI {  758}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HN  ))
      4.200     2.200     1.800 peak   758 spectrum    1 weight  0.10000E+01 volume  0.64576E-03 ppm1      8.048 ppm2      8.670 CV     1
 ASSI {  761}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
      4.700     2.700     1.300 peak   761 spectrum    1 weight  0.10000E+01 volume  0.43984E-03 ppm1      7.207 ppm2      8.458 CV     1
 ASSI {  763}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 71   and name HD1 ))
      3.800     1.800     1.800 peak   763 spectrum    1 weight  0.10000E+01 volume  0.93328E-03 ppm1      7.207 ppm2      4.025 CV     1
 ASSI {  764}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      2.800     1.000     1.000 peak   764 spectrum    1 weight  0.10000E+01 volume  0.27735E-02 ppm1      7.209 ppm2      4.311 CV     1
 ASSI {  765}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      3.700     1.700     1.700 peak   765 spectrum    1 weight  0.10000E+01 volume  0.64380E-03 ppm1      7.207 ppm2      4.741 CV     1
 ASSI {  766}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 70   and name HB  ))
      4.200     2.200     1.800 peak   766 spectrum    1 weight  0.10000E+01 volume  0.34803E-03 ppm1      7.209 ppm2      4.627 CV     1
 ASSI {  770}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
      4.200     2.200     1.800 peak   770 spectrum    1 weight  0.10000E+01 volume  0.57497E-03 ppm1      7.209 ppm2      2.361 CV     1
 ASSI {  772}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HG  ))
      2.800     1.000     1.000 peak   772 spectrum    1 weight  0.10000E+01 volume  0.88149E-02 ppm1      7.208 ppm2      1.774 CV     1
 OR {  772}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HB1 ))
 ASSI {  773}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HB2 ))
      2.600     0.900     0.900 peak   773 spectrum    1 weight  0.10000E+01 volume  0.23897E-02 ppm1      7.208 ppm2      1.404 CV     1
 ASSI {  777}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
      3.700     1.700     1.700 peak   777 spectrum    1 weight  0.10000E+01 volume  0.12275E-02 ppm1      8.833 ppm2      2.056 CV     1
 ASSI {  778}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HB1 ))
      3.200     1.300     1.300 peak   778 spectrum    1 weight  0.10000E+01 volume  0.19245E-02 ppm1      8.833 ppm2      2.545 CV     1
 ASSI {  781}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HB1 ))
      2.800     1.000     1.000 peak   781 spectrum    1 weight  0.10000E+01 volume  0.37838E-02 ppm1      8.672 ppm2      2.891 CV     1
 ASSI {  782}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
      2.900     1.100     1.100 peak   782 spectrum    1 weight  0.10000E+01 volume  0.46348E-02 ppm1      8.672 ppm2      2.669 CV     1
 ASSI {  785}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HA2 ))
      2.500     0.800     0.800 peak   785 spectrum    1 weight  0.10000E+01 volume  0.69984E-02 ppm1      8.672 ppm2      3.874 CV     1
 ASSI {  786}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HA1 ))
      2.700     0.900     0.900 peak   786 spectrum    1 weight  0.10000E+01 volume  0.39869E-02 ppm1      8.672 ppm2      4.247 CV     1
 ASSI {  787}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      2.800     1.000     1.000 peak   787 spectrum    1 weight  0.10000E+01 volume  0.28693E-02 ppm1      8.672 ppm2      4.848 CV     1
 ASSI {  788}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 63   and name HN  ))
      2.800     1.000     1.000 peak   788 spectrum    1 weight  0.10000E+01 volume  0.25633E-02 ppm1      8.833 ppm2      8.623 CV     1
 ASSI {  790}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
      3.500     1.500     1.500 peak   790 spectrum    1 weight  0.10000E+01 volume  0.21902E-02 ppm1      8.672 ppm2      8.569 CV     1
 ASSI {  794}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
      2.400     0.700     0.700 peak   794 spectrum    1 weight  0.10000E+01 volume  0.60193E-02 ppm1      8.139 ppm2      7.797 CV     1
 ASSI {  795}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 35   and name HD% )
      2.900     1.100     1.100 peak   795 spectrum    1 weight  0.10000E+01 volume  0.16262E-02 ppm1      8.453 ppm2      7.113 CV     1
 ASSI {  797}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      3.200     1.300     1.300 peak   797 spectrum    1 weight  0.10000E+01 volume  0.13641E-02 ppm1      8.454 ppm2      4.949 CV     1
 ASSI {  800}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HB1 ))
      3.600     1.600     1.600 peak   800 spectrum    1 weight  0.10000E+01 volume  0.19214E-02 ppm1      8.453 ppm2      3.590 CV     1
 ASSI {  801}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
      3.800     1.800     1.800 peak   801 spectrum    1 weight  0.10000E+01 volume  0.41266E-03 ppm1      8.136 ppm2      2.849 CV     1
 ASSI {  803}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
      2.400     0.700     0.700 peak   803 spectrum    1 weight  0.10000E+01 volume  0.33014E-02 ppm1      8.453 ppm2      3.087 CV     1
 ASSI {  805}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HB1 ))
      2.900     1.100     1.100 peak   805 spectrum    1 weight  0.10000E+01 volume  0.12815E-02 ppm1      8.454 ppm2      2.172 CV     1
 ASSI {  806}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HG1 ))
      5.000     3.100     1.000 peak   806 spectrum    1 weight  0.10000E+01 volume  0.59322E-03 ppm1      8.454 ppm2      1.945 CV     1
 ASSI {  807}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      4.300     2.400     1.700 peak   807 spectrum    1 weight  0.10000E+01 volume  0.65540E-03 ppm1      8.452 ppm2      1.857 CV     1
 ASSI {  808}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HB1 ))
      3.400     1.400     1.400 peak   808 spectrum    1 weight  0.10000E+01 volume  0.26304E-02 ppm1      8.140 ppm2      1.878 CV     1
 ASSI {  809}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
      2.600     0.800     0.800 peak   809 spectrum    1 weight  0.10000E+01 volume  0.27949E-02 ppm1      8.139 ppm2      1.825 CV     1
 ASSI {  813}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 26   and name HD2%)
      4.600     2.700     1.400 peak   813 spectrum    1 weight  0.10000E+01 volume  0.72483E-03 ppm1      8.454 ppm2      0.798 CV     1
 ASSI {  814}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 26   and name HD1%)
      3.900     1.900     1.900 peak   814 spectrum    1 weight  0.10000E+01 volume  0.12854E-02 ppm1      8.452 ppm2      0.696 CV     1
 ASSI {  820}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HB1 ))
      3.100     1.200     1.200 peak   820 spectrum    1 weight  0.10000E+01 volume  0.16906E-02 ppm1      8.005 ppm2      2.778 CV     1
 ASSI {  821}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      3.600     1.600     1.600 peak   821 spectrum    1 weight  0.10000E+01 volume  0.93573E-03 ppm1      8.005 ppm2      4.482 CV     1
 ASSI {  824}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
      3.300     1.300     1.300 peak   824 spectrum    1 weight  0.10000E+01 volume  0.12716E-02 ppm1      7.823 ppm2      4.145 CV     1
 ASSI {  826}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      3.400     1.400     1.400 peak   826 spectrum    1 weight  0.10000E+01 volume  0.92985E-03 ppm1      7.822 ppm2      3.933 CV     1
 ASSI {  827}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      3.200     1.300     1.300 peak   827 spectrum    1 weight  0.10000E+01 volume  0.19825E-02 ppm1      7.823 ppm2      4.563 CV     1
 ASSI {  832}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
      2.600     0.800     0.800 peak   832 spectrum    1 weight  0.10000E+01 volume  0.37056E-02 ppm1      8.756 ppm2      8.226 CV     1
 ASSI {  834}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      3.100     1.200     1.200 peak   834 spectrum    1 weight  0.10000E+01 volume  0.19094E-02 ppm1      8.603 ppm2      8.464 CV     1
 ASSI {  844}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
      3.200     1.300     1.300 peak   844 spectrum    1 weight  0.10000E+01 volume  0.34155E-02 ppm1      8.604 ppm2      2.880 CV     1
 ASSI {  845}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      2.800     1.000     1.000 peak   845 spectrum    1 weight  0.10000E+01 volume  0.34190E-02 ppm1      8.603 ppm2      2.760 CV     1
 ASSI {  846}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
      3.900     1.900     1.900 peak   846 spectrum    1 weight  0.10000E+01 volume  0.67539E-03 ppm1      8.454 ppm2      2.882 CV     1
 ASSI {  847}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      4.100     2.100     1.900 peak   847 spectrum    1 weight  0.10000E+01 volume  0.95370E-03 ppm1      8.453 ppm2      2.756 CV     1
 ASSI {  848}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HG  ))
      3.700     1.700     1.700 peak   848 spectrum    1 weight  0.10000E+01 volume  0.26689E-02 ppm1      8.453 ppm2      1.574 CV     1
 ASSI {  849}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HB1 ))
      3.100     1.200     1.200 peak   849 spectrum    1 weight  0.10000E+01 volume  0.33689E-02 ppm1      8.453 ppm2      1.450 CV     1
 ASSI {  855}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
      2.900     1.100     1.100 peak   855 spectrum    1 weight  0.10000E+01 volume  0.15429E-02 ppm1      8.453 ppm2      1.233 CV     1
 ASSI {  856}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 52   and name HD1%)
      4.700     2.700     1.300 peak   856 spectrum    1 weight  0.10000E+01 volume  0.46227E-03 ppm1      8.757 ppm2      0.871 CV     1
 ASSI {  858}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 45   and name HD2%)
      5.200     3.400     0.800 peak   858 spectrum    1 weight  0.10000E+01 volume  0.37783E-03 ppm1      8.754 ppm2      0.356 CV     1
 ASSI {  860}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
      3.300     1.300     1.300 peak   860 spectrum    1 weight  0.10000E+01 volume  0.66319E-03 ppm1      7.968 ppm2      3.012 CV     1
 ASSI {  866}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      3.900     1.900     1.900 peak   866 spectrum    1 weight  0.10000E+01 volume  0.12952E-02 ppm1      7.965 ppm2      8.057 CV     1
 ASSI {  867}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 40   and name HD% )
      3.600     1.700     1.700 peak   867 spectrum    1 weight  0.10000E+01 volume  0.62311E-03 ppm1      7.967 ppm2      6.972 CV     1
 ASSI {  871}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HN  ))
      2.700     0.900     0.900 peak   871 spectrum    1 weight  0.10000E+01 volume  0.27201E-02 ppm1      7.794 ppm2      8.922 CV     1
 ASSI {  872}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      4.100     2.100     1.900 peak   872 spectrum    1 weight  0.10000E+01 volume  0.31548E-03 ppm1      7.593 ppm2      4.902 CV     1
 ASSI {  875}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      3.100     1.200     1.200 peak   875 spectrum    1 weight  0.10000E+01 volume  0.13741E-02 ppm1      7.594 ppm2      3.741 CV     1
 ASSI {  876}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name H28A))
      3.300     3.300     2.700 peak   876 spectrum    1 weight  0.10000E+01 volume  0.42739E-03 ppm1      7.793 ppm2      3.490 CV     1
 ASSI {  877}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 41   and name HB1 ))
      3.500     1.500     1.500 peak   877 spectrum    1 weight  0.10000E+01 volume  0.83303E-03 ppm1      7.793 ppm2      3.285 CV     1
 ASSI {  879}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
      3.100     1.200     1.200 peak   879 spectrum    1 weight  0.10000E+01 volume  0.92772E-03 ppm1      7.793 ppm2      4.339 CV     1
 ASSI {  883}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HA  ))
      3.200     1.300     1.300 peak   883 spectrum    1 weight  0.10000E+01 volume  0.20694E-02 ppm1      7.827 ppm2      4.385 CV     1
 ASSI {  884}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HB1 ))
      3.800     1.800     1.800 peak   884 spectrum    1 weight  0.10000E+01 volume  0.61483E-03 ppm1      7.824 ppm2      2.274 CV     1
 ASSI {  885}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HB2 ))
      3.600     1.600     1.600 peak   885 spectrum    1 weight  0.10000E+01 volume  0.72303E-03 ppm1      7.825 ppm2      2.130 CV     1
 ASSI {  886}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HB1 ))
      3.100     1.200     1.200 peak   886 spectrum    1 weight  0.10000E+01 volume  0.63422E-02 ppm1      7.794 ppm2      1.884 CV     1
 ASSI {  887}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
      2.300     0.700     0.700 peak   887 spectrum    1 weight  0.10000E+01 volume  0.51933E-02 ppm1      7.794 ppm2      1.826 CV     1
 ASSI {  889}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 43   and name HD2%)
      3.900     1.900     1.900 peak   889 spectrum    1 weight  0.10000E+01 volume  0.86173E-03 ppm1      7.794 ppm2      1.057 CV     1
 ASSI {  892}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
      4.000     2.000     2.000 peak   892 spectrum    1 weight  0.10000E+01 volume  0.66765E-03 ppm1      7.594 ppm2      0.867 CV     1
 ASSI {  897}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 5    and name HD2%)
      3.600     1.600     1.600 peak   897 spectrum    1 weight  0.10000E+01 volume  0.11476E-02 ppm1      9.417 ppm2      0.642 CV     1
 ASSI {  900}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HB2 ))
      2.500     0.800     0.800 peak   900 spectrum    1 weight  0.10000E+01 volume  0.24198E-02 ppm1      9.415 ppm2      1.477 CV     1
 ASSI {  901}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HB2 ))
      2.900     1.100     1.100 peak   901 spectrum    1 weight  0.10000E+01 volume  0.33271E-02 ppm1      9.416 ppm2      1.343 CV     1
 ASSI {  905}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HN  ))
      4.600     2.600     1.400 peak   905 spectrum    1 weight  0.10000E+01 volume  0.51303E-03 ppm1      9.417 ppm2      8.143 CV     1
 ASSI {  910}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HB  ))
      3.700     1.700     1.700 peak   910 spectrum    1 weight  0.10000E+01 volume  0.13251E-02 ppm1      8.144 ppm2      4.185 CV     1
 ASSI {  914}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HB2 ))
      3.200     1.300     1.300 peak   914 spectrum    1 weight  0.10000E+01 volume  0.25391E-02 ppm1      8.143 ppm2      1.483 CV     1
 ASSI {  915}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 3    and name HG2%)
      3.300     1.300     1.300 peak   915 spectrum    1 weight  0.10000E+01 volume  0.25831E-02 ppm1      8.143 ppm2      1.379 CV     1
 ASSI {  918}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 60   and name HD1%)
      4.400     2.400     1.600 peak   918 spectrum    1 weight  0.10000E+01 volume  0.83499E-03 ppm1      8.166 ppm2      0.845 CV     1
 ASSI {  923}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 53   and name HG2 ))
      3.600     1.600     1.600 peak   923 spectrum    1 weight  0.10000E+01 volume  0.65214E-03 ppm1      8.167 ppm2      2.322 CV     1
 ASSI {  924}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HB2 ))
      4.000     2.000     2.000 peak   924 spectrum    1 weight  0.10000E+01 volume  0.10215E-02 ppm1      8.165 ppm2      3.776 CV     1
 OR {  924}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HB1 ))
 ASSI {  925}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 53   and name HG1 ))
      4.800     2.800     1.200 peak   925 spectrum    1 weight  0.10000E+01 volume  0.35125E-03 ppm1      8.165 ppm2      2.759 CV     1
 ASSI {  927}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      2.300     0.600     0.600 peak   927 spectrum    1 weight  0.10000E+01 volume  0.85340E-02 ppm1      8.168 ppm2      4.836 CV     1
 ASSI {  928}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      4.600     2.700     1.400 peak   928 spectrum    1 weight  0.10000E+01 volume  0.57356E-03 ppm1      8.167 ppm2      8.484 CV     1
 ASSI {  933}
   (( segid "    " and resid 86   and name HN  ))
   (  segid "    " and resid 86   and name HB% )
      3.400     1.500     1.500 peak   933 spectrum    1 weight  0.10000E+01 volume  0.12034E-02 ppm1      7.960 ppm2      1.483 CV     1
 ASSI {    1}
   (( segid "    " and resid 42   and name H37A))
   (( segid "    " and resid 42   and name H36A))
      2.800     1.000     1.000 peak     1 spectrum    1 weight  0.10000E+01 volume  0.55744E-02 ppm1      3.629 ppm2      8.132 CV     1
 OR {    1}
   (( segid "    " and resid 42   and name H37B))
   (( segid "    " and resid 42   and name H36A))
 ASSI {    2}
   (( segid "    " and resid 42   and name H32A))
   (( segid "    " and resid 42   and name H36A))
      2.700     0.900     0.900 peak     2 spectrum    1 weight  0.10000E+01 volume  0.56490E-02 ppm1      4.118 ppm2      8.132 CV     1
 ASSI {    3}
   (( segid "    " and resid 42   and name H42B))
   (( segid "    " and resid 42   and name H41A))
      2.700     0.900     0.900 peak     3 spectrum    1 weight  0.10000E+01 volume  0.65028E-02 ppm1      3.438 ppm2      8.317 CV     1
 OR {    3}
   (( segid "    " and resid 42   and name H42A))
   (( segid "    " and resid 42   and name H41A))
 ASSI {    4}
   (( segid "    " and resid 42   and name H38B))
   (( segid "    " and resid 42   and name H41A))
      2.600     0.900     0.900 peak     4 spectrum    1 weight  0.10000E+01 volume  0.59589E-02 ppm1      2.597 ppm2      8.316 CV     1
 OR {    4}
   (( segid "    " and resid 42   and name H38A))
   (( segid "    " and resid 42   and name H41A))
 ASSI {    5}
   (( segid "    " and resid 42   and name H38A))
   (( segid "    " and resid 42   and name H36A))
      3.200     1.300     1.300 peak     5 spectrum    1 weight  0.10000E+01 volume  0.28079E-02 ppm1      2.604 ppm2      8.132 CV     1
 OR {    5}
   (( segid "    " and resid 42   and name H38B))
   (( segid "    " and resid 42   and name H36A))
 ASSI {   10}
   (( segid "    " and resid 42   and name H28A))
   (  segid "    " and resid 42   and name H31%)
      2.900     1.000     1.000 peak    10 spectrum    1 weight  0.10000E+01 volume  0.87017E-02 ppm1      3.486 ppm2      1.063 CV     1
 ASSI {   11}
   (( segid "    " and resid 42   and name H28A))
   (  segid "    " and resid 42   and name H30%)
      2.600     0.800     0.800 peak    11 spectrum    1 weight  0.10000E+01 volume  0.15598E-01 ppm1      3.486 ppm2      0.951 CV     1
 ASSI {   12}
   (( segid "    " and resid 42   and name H28B))
   (  segid "    " and resid 42   and name H30%)
      2.300     0.600     0.600 peak    12 spectrum    1 weight  0.10000E+01 volume  0.16752E-01 ppm1      3.894 ppm2      0.951 CV     1
 ASSI {   13}
   (( segid "    " and resid 42   and name H28B))
   (  segid "    " and resid 42   and name H31%)
      2.900     1.100     1.100 peak    13 spectrum    1 weight  0.10000E+01 volume  0.53784E-02 ppm1      3.895 ppm2      1.063 CV     1
 ASSI {   14}
   (( segid "    " and resid 42   and name H32A))
   (  segid "    " and resid 42   and name H31%)
      2.800     0.900     0.900 peak    14 spectrum    1 weight  0.10000E+01 volume  0.86717E-02 ppm1      4.116 ppm2      1.063 CV     1
 ASSI {   15}
   (( segid "    " and resid 42   and name H32A))
   (  segid "    " and resid 42   and name H30%)
      2.800     1.000     1.000 peak    15 spectrum    1 weight  0.10000E+01 volume  0.79785E-02 ppm1      4.115 ppm2      0.951 CV     1
 ASSI {   16}
   (( segid "    " and resid 42   and name H36A))
   (  segid "    " and resid 42   and name H31%)
      3.700     1.700     1.700 peak    16 spectrum    1 weight  0.10000E+01 volume  0.32869E-02 ppm1      8.139 ppm2      1.063 CV     1
 ASSI {   17}
   (( segid "    " and resid 42   and name H36A))
   (  segid "    " and resid 42   and name H30%)
      3.000     1.100     1.100 peak    17 spectrum    1 weight  0.10000E+01 volume  0.47134E-02 ppm1      8.139 ppm2      0.951 CV     1
 ASSI {   18}
   (( segid "    " and resid 42   and name H41A))
   (  segid "    " and resid 42   and name H30%)
      2.900     2.900     3.100 peak    18 spectrum    1 weight  0.10000E+01 volume  0.92566E-03 ppm1      8.320 ppm2      0.951 CV     1
 ASSI {   21}
   (( segid "    " and resid 42   and name H28A))
   (( segid "    " and resid 42   and name H28B))
      1.900     0.500     0.500 peak    21 spectrum    1 weight  0.10000E+01 volume  0.62148E-02 ppm1      3.488 ppm2      3.889 CV     1
 ASSI {   25}
   (( segid "    " and resid 42   and name H28A))
   (( segid "    " and resid 42   and name H32A))
      2.900     1.000     1.000 peak    25 spectrum    1 weight  0.10000E+01 volume  0.40625E-02 ppm1      3.488 ppm2      4.112 CV     1
 ASSI {   26}
   (( segid "    " and resid 42   and name H28B))
   (( segid "    " and resid 42   and name H32A))
      3.300     1.400     1.400 peak    26 spectrum    1 weight  0.10000E+01 volume  0.30824E-02 ppm1      3.893 ppm2      4.114 CV     1
 ASSI {   27}
   (( segid "    " and resid 42   and name H28B))
   (( segid "    " and resid 42   and name H36A))
      4.700     2.800     1.300 peak    27 spectrum    1 weight  0.10000E+01 volume  0.10349E-02 ppm1      3.891 ppm2      8.129 CV     1
/home/chsee/structure_calcs/holo/run9/data/distances
 
number of intra sidechain ambiguous restraints
2
number of intra sidechain unambiguous restraints
20
total number of intra sidechain restraints
22
 
number of protein to sidechain ambiguous restraints
1
number of protein to sidechain unambiguous restraints
2
total number of protein to sidechain restraints
3
 
number of protein to sidechain restraints which were from H28/H30/H31
3
 
list of intra sidechain restraints
 uASSI   1  42 H37A 42 H36A 2.800 1.000 1.000 peak 1 volume 0.55744E-02 ppm1 3.629 ppm2 8.132   
   uOR   1  42 H37B 42 H36A   
 uASSI   2  42 H32A 42 H36A 2.700 0.900 0.900 peak 2 volume 0.56490E-02 ppm1 4.118 ppm2 8.132   
 uASSI   3  42 H42B 42 H41A 2.700 0.900 0.900 peak 3 volume 0.65028E-02 ppm1 3.438 ppm2 8.317   
   uOR   3  42 H42A 42 H41A   
 uASSI   4  42 H38B 42 H41A 2.600 0.900 0.900 peak 4 volume 0.59589E-02 ppm1 2.597 ppm2 8.316   
   uOR   4  42 H38A 42 H41A   
 uASSI   5  42 H38A 42 H36A 3.200 1.300 1.300 peak 5 volume 0.28079E-02 ppm1 2.604 ppm2 8.132   
   uOR   5  42 H38B 42 H36A   
 uASSI   10  42 H28A 42 H31% 2.900 1.000 1.000 peak 10 volume 0.87017E-02 ppm1 3.486 ppm2 1.063   
 uASSI   11  42 H28A 42 H30% 2.600 0.800 0.800 peak 11 volume 0.15598E-01 ppm1 3.486 ppm2 0.951   
 uASSI   12  42 H28B 42 H30% 2.300 0.600 0.600 peak 12 volume 0.16752E-01 ppm1 3.894 ppm2 0.951   
 uASSI   13  42 H28B 42 H31% 2.900 1.100 1.100 peak 13 volume 0.53784E-02 ppm1 3.895 ppm2 1.063   
 uASSI   14  42 H32A 42 H31% 2.800 0.900 0.900 peak 14 volume 0.86717E-02 ppm1 4.116 ppm2 1.063   
 uASSI   15  42 H32A 42 H30% 2.800 1.000 1.000 peak 15 volume 0.79785E-02 ppm1 4.115 ppm2 0.951   
 uASSI   16  42 H36A 42 H31% 3.700 1.700 1.700 peak 16 volume 0.32869E-02 ppm1 8.139 ppm2 1.063   
 uASSI   17  42 H36A 42 H30% 3.000 1.100 1.100 peak 17 volume 0.47134E-02 ppm1 8.139 ppm2 0.951   
 uASSI   18  42 H41A 42 H30% 2.900 2.900 3.100 peak 18 volume 0.92566E-03 ppm1 8.320 ppm2 0.951   
 uASSI   21  42 H28A 42 H28B 1.900 0.500 0.500 peak 21 volume 0.62148E-02 ppm1 3.488 ppm2 3.889  
 uASSI   25  42 H28A 42 H32A 2.900 1.000 1.000 peak 25 volume 0.40625E-02 ppm1 3.488 ppm2 4.112   
 uASSI   26  42 H28B 42 H32A 3.300 1.400 1.400 peak 26 volume 0.30824E-02 ppm1 3.893 ppm2 4.114   
 uASSI   27  42 H28B 42 H36A 4.700 2.800 1.300 peak 27 volume 0.10349E-02 ppm1 3.891 ppm2 8.129   
 aASSI   2304  42 HB2 42 H31% 3.700 1.700 1.700 peak 2304 volume 0.74427E-03 ppm1 4.331 ppm2 1.066  
 uASSI   2321  42 HB1 42 H28A 4.300 2.400 1.700 peak 2321 volume 0.76387E-03 ppm1 4.199 ppm2 3.489   
 uASSI   2322  42 HB2 42 H28A 3.800 1.800 1.800 peak 2322 volume 0.39824E-03 ppm1 4.336 ppm2 3.494   
 aASSI   2324  42 HB2 42 H28B 4.400 2.400 1.600 peak 2324 volume 0.36110E-03 ppm1 4.339 ppm2 3.915  
   aOR   2325  42 HB1 42 H28B   
 
list of protein to sidechain restraints
 aASSIs  669  42 H28B 43 HD1% 3.600 3.600 2.400 peak 669 volume 0.69548E-03 ppm1 3.910 ppm2 1.006   
 uASSIs  670  42 H28A 43 HD1% 3.200 3.200 2.800 peak 670 volume 0.54911E-03 ppm1 3.498 ppm2 1.009   
 uASSIs  876  42 H28A 43 HN 3.300 3.300 2.700 peak 876 volume 0.42739E-03 ppm1 3.490 ppm2 7.793   
   aOR   2493  40 HD% 42 H31%  
/home/chsee/structure_calcs/holo/run9/data/distances
Restraints to residue 42
   aOR  {141} 38 HD1% 42 HA  
   aOR  {2493} 40 HD% 42 H31%  
 uASSI  {1480} 41 HB1 42 HN 2.500 0.800 0.800 peak 1480 volume 0.51810E-02 ppm1 3.284 ppm2 8.921   
 uASSI  {1481} 41 HB2 42 HN 3.100 1.200 1.200 peak 1481 volume 0.37483E-02 ppm1 2.850 ppm2 8.919   
 uASSI  {1797} 41 HA 42 HN 2.300 0.700 0.700 peak 1797 volume 0.74596E-02 ppm1 4.749 ppm2 8.926   
 uASSIs {189} 41 HN 42 HN 4.400 2.400 1.600 peak 189 volume 0.59583E-03 ppm1 7.965 ppm2 8.920   
 aASSIs {669} 42 H28B 43 HD1% 3.600 3.600 2.400 peak 669 volume 0.69548E-03 ppm1 3.910 ppm2 1.006   
   aOR  {186} 42 HN 43 HA   
   aOR  {2304} 42 HB2 43 HD2%   
   aORs {880} 42 HA 43 HN   
 uASSI  {2169} 42 HA 43 HN 3.400 1.500 1.500 peak 2169 volume 0.10722E-02 ppm1 4.265 ppm2 7.792   
 uASSI  {2331} 42 HB1 43 HN 4.400 2.400 1.600 peak 2331 volume 0.67228E-03 ppm1 4.196 ppm2 7.800   
 uASSIs {670} 42 H28A 43 HD1% 3.200 3.200 2.800 peak 670 volume 0.54911E-03 ppm1 3.498 ppm2 1.009   
 uASSIs {871} 42 HN 43 HN 2.700 0.900 0.900 peak 871 volume 0.27201E-02 ppm1 8.922 ppm2 7.794   
 uASSIs {876} 42 H28A 43 HN 3.300 3.300 2.700 peak 876 volume 0.42739E-03 ppm1 3.490 ppm2 7.793   
 uASSIs {879} 42 HB2 43 HN 3.100 1.200 1.200 peak 879 volume 0.92772E-03 ppm1 4.339 ppm2 7.793   
 aASSI  {182} 42 HN 44 HB% 4.800 2.800 1.200 peak 182 volume 0.38957E-03 ppm1 8.919 ppm2 1.505  
   aOR  {2185} 42 HA 44 HB%   
 aASSI  {2185} 42 HA 45 HB2 2.900 1.100 1.100 peak 2185 volume 0.27350E-02 ppm1 4.269 ppm2 1.501  
 aASSIs {1516} 42 HA 45 HB2 3.100 1.200 1.200 peak 1516 volume 0.24086E-02 ppm1 4.268 ppm2 1.496   
 aASSIs {540} 42 HA 45 HD2% 4.500 2.500 1.500 peak 540 volume 0.86864E-03 ppm1 4.279 ppm2 0.353   
 aASSIs {690} 42 HA 45 HN 3.000 1.100 1.100 peak 690 volume 0.29777E-02 ppm1 4.279 ppm2 8.444  
   aOR  {182} 42 HN 45 HB2   
   aORs {1512} 42 HA 45 HB1  
 uASSI  {181} 42 HN 45 HD2% 5.400 3.600 0.600 peak 181 volume 0.22489E-03 ppm1 8.916 ppm2 0.357   
 uASSI  {2166} 42 HA 45 HN 3.300 1.400 1.400 peak 2166 volume 0.17890E-02 ppm1 4.271 ppm2 8.446   
 uASSI  {2186} 42 HA 45 HG 2.800 1.000 1.000 peak 2186 volume 0.19542E-02 ppm1 4.270 ppm2 1.377   
 uASSI  {2190} 42 HA 45 HB1 4.600 2.600 1.400 peak 2190 volume 0.87948E-03 ppm1 4.263 ppm2 1.636   
 uASSI  {2198} 42 HA 45 HD2% 4.000 2.000 2.000 peak 2198 volume 0.17054E-02 ppm1 4.268 ppm2 0.356   
 uASSIs {537} 42 HA 45 HD1% 3.100 1.200 1.200 peak 537 volume 0.14143E-02 ppm1 4.266 ppm2 0.238   
 uASSI  {2167} 42 HA 46 HN 4.100 2.100 1.900 peak 2167 volume 0.72815E-03 ppm1 4.268 ppm2 8.226   
 uASSIs {241} 42 HB1 65 HB% 4.000 2.000 2.000 peak 241 volume 0.67060E-03 ppm1 4.180 ppm2 1.392   
 aASSI  {2325} 42 HB1 66 HA2 3.700 1.700 1.700 peak 2325 volume 0.38495E-03 ppm1 4.201 ppm2 3.910  
   aOR  {2324} 42 HB2 66 HA2   
 uASSI  {1} 42 H37A 42 H36A 2.800 1.000 1.000 peak 1 volume 0.55744E-02 ppm1 3.629 ppm2 8.132   
 uASSI  {10} 42 H28A 42 H31% 2.900 1.000 1.000 peak 10 volume 0.87017E-02 ppm1 3.486 ppm2 1.063   
 uASSI  {11} 42 H28A 42 H30% 2.600 0.800 0.800 peak 11 volume 0.15598E-01 ppm1 3.486 ppm2 0.951   
 uASSI  {12} 42 H28B 42 H30% 2.300 0.600 0.600 peak 12 volume 0.16752E-01 ppm1 3.894 ppm2 0.951   
 uASSI  {13} 42 H28B 42 H31% 2.900 1.100 1.100 peak 13 volume 0.53784E-02 ppm1 3.895 ppm2 1.063   
 uASSI  {14} 42 H32A 42 H31% 2.800 0.900 0.900 peak 14 volume 0.86717E-02 ppm1 4.116 ppm2 1.063   
 uASSI  {15} 42 H32A 42 H30% 2.800 1.000 1.000 peak 15 volume 0.79785E-02 ppm1 4.115 ppm2 0.951   
 uASSI  {16} 42 H36A 42 H31% 3.700 1.700 1.700 peak 16 volume 0.32869E-02 ppm1 8.139 ppm2 1.063   
 uASSI  {17} 42 H36A 42 H30% 3.000 1.100 1.100 peak 17 volume 0.47134E-02 ppm1 8.139 ppm2 0.951   
 uASSI  {18} 42 H41A 42 H30% 2.900 2.900 3.100 peak 18 volume 0.92566E-03 ppm1 8.320 ppm2 0.951   
 uASSI  {2} 42 H32A 42 H36A 2.700 0.900 0.900 peak 2 volume 0.56490E-02 ppm1 4.118 ppm2 8.132   
 uASSI  {21} 42 H28A 42 H28B 1.900 0.500 0.500 peak 21 volume 0.62148E-02 ppm1 3.488 ppm2 3.889  
 uASSI  {2160} 42 HA 42 HN 2.600 0.800 0.800 peak 2160 volume 0.42852E-02 ppm1 4.269 ppm2 8.922   
 uASSI  {2321} 42 HB1 42 H28A 4.300 2.400 1.700 peak 2321 volume 0.76387E-03 ppm1 4.199 ppm2 3.489   
 uASSI  {2322} 42 HB2 42 H28A 3.800 1.800 1.800 peak 2322 volume 0.39824E-03 ppm1 4.336 ppm2 3.494   
 uASSI  {2341} 42 HB2 42 HN 2.500 0.800 0.800 peak 2341 volume 0.39283E-02 ppm1 4.338 ppm2 8.921   
 uASSI  {2342} 42 HB1 42 HN 3.500 1.500 1.500 peak 2342 volume 0.29005E-02 ppm1 4.195 ppm2 8.919   
 uASSI  {25} 42 H28A 42 H32A 2.900 1.000 1.000 peak 25 volume 0.40625E-02 ppm1 3.488 ppm2 4.112   
 uASSI  {26} 42 H28B 42 H32A 3.300 1.400 1.400 peak 26 volume 0.30824E-02 ppm1 3.893 ppm2 4.114   
 uASSI  {27} 42 H28B 42 H36A 4.700 2.800 1.300 peak 27 volume 0.10349E-02 ppm1 3.891 ppm2 8.129   
 uASSI  {3} 42 H42B 42 H41A 2.700 0.900 0.900 peak 3 volume 0.65028E-02 ppm1 3.438 ppm2 8.317   
 uASSI  {4} 42 H38B 42 H41A 2.600 0.900 0.900 peak 4 volume 0.59589E-02 ppm1 2.597 ppm2 8.316   
 uASSI  {5} 42 H38A 42 H36A 3.200 1.300 1.300 peak 5 volume 0.28079E-02 ppm1 2.604 ppm2 8.132   
   uOR  {3} 42 H42A 42 H41A   
   uOR  {5} 42 H38B 42 H36A   
   uOR  {4} 42 H38A 42 H41A   
   uOR  {1} 42 H37B 42 H36A   
   aOR  {2325} 42 HB1 42 H28B   
 aASSI  {186} 42 HN 42 HA 2.600 0.900 0.900 peak 186 volume 0.41944E-02 ppm1 8.921 ppm2 4.272  
 aASSI  {2304} 42 HB2 42 H31% 3.700 1.700 1.700 peak 2304 volume 0.74427E-03 ppm1 4.331 ppm2 1.066  
 aASSI  {2324} 42 HB2 42 H28B 4.400 2.400 1.600 peak 2324 volume 0.36110E-03 ppm1 4.339 ppm2 3.915  
! phi and psi dihedral restraint file generated by Talos2Aria.py
!
! TALOS filename:
! /home/chsee/structure_calcs/holo/pred.tab
!
! settings: min phiError=20.0, min psiError=20.0, errorFactor=2.0
!

! Talos derived phi restraint:
assign (resid   1 and name C)
       (resid   2 and name N)
       (resid   2 and name CA)
       (resid   2 and name C)
       1.0 -105  52 2

! Talos derived phi restraint:
assign (resid   2 and name C)
       (resid   3 and name N)
       (resid   3 and name CA)
       (resid   3 and name C)
       1.0 -116  44 2

! Talos derived phi restraint:
assign (resid   4 and name C)
       (resid   5 and name N)
       (resid   5 and name CA)
       (resid   5 and name C)
       1.0 -81  48 2

! Talos derived phi restraint:
assign (resid   5 and name C)
       (resid   6 and name N)
       (resid   6 and name CA)
       (resid   6 and name C)
       1.0 -99  40 2

! Talos derived phi restraint:
assign (resid   6 and name C)
       (resid   7 and name N)
       (resid   7 and name CA)
       (resid   7 and name C)
       1.0 -61  20 2

! Talos derived phi restraint:
assign (resid   7 and name C)
       (resid   8 and name N)
       (resid   8 and name CA)
       (resid   8 and name C)
       1.0 -61  20 2

! Talos derived phi restraint:
assign (resid   8 and name C)
       (resid   9 and name N)
       (resid   9 and name CA)
       (resid   9 and name C)
       1.0 -68  20 2

! Talos derived phi restraint:
assign (resid   9 and name C)
       (resid  10 and name N)
       (resid  10 and name CA)
       (resid  10 and name C)
       1.0 -66  20 2

! Talos derived phi restraint:
assign (resid  10 and name C)
       (resid  11 and name N)
       (resid  11 and name CA)
       (resid  11 and name C)
       1.0 -59  20 2

! Talos derived phi restraint:
assign (resid  11 and name C)
       (resid  12 and name N)
       (resid  12 and name CA)
       (resid  12 and name C)
       1.0 -57  20 2

! Talos derived phi restraint:
assign (resid  12 and name C)
       (resid  13 and name N)
       (resid  13 and name CA)
       (resid  13 and name C)
       1.0 -60  20 2

! Talos derived phi restraint:
assign (resid  13 and name C)
       (resid  14 and name N)
       (resid  14 and name CA)
       (resid  14 and name C)
       1.0 -65  20 2

! Talos derived phi restraint:
assign (resid  14 and name C)
       (resid  15 and name N)
       (resid  15 and name CA)
       (resid  15 and name C)
       1.0 -65  20 2

! Talos derived phi restraint:
assign (resid  15 and name C)
       (resid  16 and name N)
       (resid  16 and name CA)
       (resid  16 and name C)
       1.0 -66  20 2

! Talos derived phi restraint:
assign (resid  16 and name C)
       (resid  17 and name N)
       (resid  17 and name CA)
       (resid  17 and name C)
       1.0 -73  30 2

! Talos derived phi restraint:
assign (resid  30 and name C)
       (resid  31 and name N)
       (resid  31 and name CA)
       (resid  31 and name C)
       1.0 -63  20 2

! Talos derived phi restraint:
assign (resid  31 and name C)
       (resid  32 and name N)
       (resid  32 and name CA)
       (resid  32 and name C)
       1.0 -94  44 2

! Talos derived phi restraint:
assign (resid  33 and name C)
       (resid  34 and name N)
       (resid  34 and name CA)
       (resid  34 and name C)
       1.0 -87  56 2

! Talos derived phi restraint:
assign (resid  34 and name C)
       (resid  35 and name N)
       (resid  35 and name CA)
       (resid  35 and name C)
       1.0 -63  20 2

! Talos derived phi restraint:
assign (resid  35 and name C)
       (resid  36 and name N)
       (resid  36 and name CA)
       (resid  36 and name C)
       1.0 -65  20 2

! Talos derived phi restraint:
assign (resid  36 and name C)
       (resid  37 and name N)
       (resid  37 and name CA)
       (resid  37 and name C)
       1.0 -69  20 2

! Talos derived phi restraint:
assign (resid  37 and name C)
       (resid  38 and name N)
       (resid  38 and name CA)
       (resid  38 and name C)
       1.0 -100  30 2

! Talos derived phi restraint:
assign (resid  38 and name C)
       (resid  39 and name N)
       (resid  39 and name CA)
       (resid  39 and name C)
       1.0  83  28 2

! Talos derived phi restraint:
assign (resid  42 and name C)
       (resid  43 and name N)
       (resid  43 and name CA)
       (resid  43 and name C)
       1.0 -65  20 2

! Talos derived phi restraint:
assign (resid  43 and name C)
       (resid  44 and name N)
       (resid  44 and name CA)
       (resid  44 and name C)
       1.0 -66  20 2

! Talos derived phi restraint:
assign (resid  44 and name C)
       (resid  45 and name N)
       (resid  45 and name CA)
       (resid  45 and name C)
       1.0 -62  20 2

! Talos derived phi restraint:
assign (resid  45 and name C)
       (resid  46 and name N)
       (resid  46 and name CA)
       (resid  46 and name C)
       1.0 -65  20 2

! Talos derived phi restraint:
assign (resid  46 and name C)
       (resid  47 and name N)
       (resid  47 and name CA)
       (resid  47 and name C)
       1.0 -68  20 2

! Talos derived phi restraint:
assign (resid  47 and name C)
       (resid  48 and name N)
       (resid  48 and name CA)
       (resid  48 and name C)
       1.0 -67  20 2

! Talos derived phi restraint:
assign (resid  48 and name C)
       (resid  49 and name N)
       (resid  49 and name CA)
       (resid  49 and name C)
       1.0 -61  20 2

! Talos derived phi restraint:
assign (resid  49 and name C)
       (resid  50 and name N)
       (resid  50 and name CA)
       (resid  50 and name C)
       1.0 -61  20 2

! Talos derived phi restraint:
assign (resid  50 and name C)
       (resid  51 and name N)
       (resid  51 and name CA)
       (resid  51 and name C)
       1.0 -66  20 2

! Talos derived phi restraint:
assign (resid  51 and name C)
       (resid  52 and name N)
       (resid  52 and name CA)
       (resid  52 and name C)
       1.0 -63  20 2

! Talos derived phi restraint:
assign (resid  52 and name C)
       (resid  53 and name N)
       (resid  53 and name CA)
       (resid  53 and name C)
       1.0 -66  20 2

! Talos derived phi restraint:
assign (resid  53 and name C)
       (resid  54 and name N)
       (resid  54 and name CA)
       (resid  54 and name C)
       1.0 -64  20 2

! Talos derived phi restraint:
assign (resid  54 and name C)
       (resid  55 and name N)
       (resid  55 and name CA)
       (resid  55 and name C)
       1.0 -71  20 2

! Talos derived phi restraint:
assign (resid  55 and name C)
       (resid  56 and name N)
       (resid  56 and name CA)
       (resid  56 and name C)
       1.0 -97  20 2

! Talos derived phi restraint:
assign (resid  57 and name C)
       (resid  58 and name N)
       (resid  58 and name CA)
       (resid  58 and name C)
       1.0 -130  36 2

! Talos derived phi restraint:
assign (resid  58 and name C)
       (resid  59 and name N)
       (resid  59 and name CA)
       (resid  59 and name C)
       1.0 -103  40 2

! Talos derived phi restraint:
assign (resid  59 and name C)
       (resid  60 and name N)
       (resid  60 and name CA)
       (resid  60 and name C)
       1.0 -104  50 2

! Talos derived phi restraint:
assign (resid  60 and name C)
       (resid  61 and name N)
       (resid  61 and name CA)
       (resid  61 and name C)
       1.0 -61  20 2

! Talos derived phi restraint:
assign (resid  61 and name C)
       (resid  62 and name N)
       (resid  62 and name CA)
       (resid  62 and name C)
       1.0 -57  20 2

! Talos derived phi restraint:
assign (resid  62 and name C)
       (resid  63 and name N)
       (resid  63 and name CA)
       (resid  63 and name C)
       1.0 -65  20 2

! Talos derived phi restraint:
assign (resid  63 and name C)
       (resid  64 and name N)
       (resid  64 and name CA)
       (resid  64 and name C)
       1.0 -65  20 2

! Talos derived phi restraint:
assign (resid  64 and name C)
       (resid  65 and name N)
       (resid  65 and name CA)
       (resid  65 and name C)
       1.0 -67  20 2

! Talos derived phi restraint:
assign (resid  67 and name C)
       (resid  68 and name N)
       (resid  68 and name CA)
       (resid  68 and name C)
       1.0 -106  62 2

! Talos derived phi restraint:
assign (resid  70 and name C)
       (resid  71 and name N)
       (resid  71 and name CA)
       (resid  71 and name C)
       1.0 -61  20 2

! Talos derived phi restraint:
assign (resid  71 and name C)
       (resid  72 and name N)
       (resid  72 and name CA)
       (resid  72 and name C)
       1.0 -58  20 2

! Talos derived phi restraint:
assign (resid  72 and name C)
       (resid  73 and name N)
       (resid  73 and name CA)
       (resid  73 and name C)
       1.0 -67  20 2

! Talos derived phi restraint:
assign (resid  73 and name C)
       (resid  74 and name N)
       (resid  74 and name CA)
       (resid  74 and name C)
       1.0 -64  20 2

! Talos derived phi restraint:
assign (resid  74 and name C)
       (resid  75 and name N)
       (resid  75 and name CA)
       (resid  75 and name C)
       1.0 -62  20 2

! Talos derived phi restraint:
assign (resid  75 and name C)
       (resid  76 and name N)
       (resid  76 and name CA)
       (resid  76 and name C)
       1.0 -64  20 2

! Talos derived phi restraint:
assign (resid  76 and name C)
       (resid  77 and name N)
       (resid  77 and name CA)
       (resid  77 and name C)
       1.0 -66  20 2

! Talos derived phi restraint:
assign (resid  77 and name C)
       (resid  78 and name N)
       (resid  78 and name CA)
       (resid  78 and name C)
       1.0 -63  20 2

! Talos derived phi restraint:
assign (resid  78 and name C)
       (resid  79 and name N)
       (resid  79 and name CA)
       (resid  79 and name C)
       1.0 -61  20 2

! Talos derived phi restraint:
assign (resid  79 and name C)
       (resid  80 and name N)
       (resid  80 and name CA)
       (resid  80 and name C)
       1.0 -69  20 2

! Talos derived phi restraint:
assign (resid  80 and name C)
       (resid  81 and name N)
       (resid  81 and name CA)
       (resid  81 and name C)
       1.0 -65  20 2

! Talos derived phi restraint:
assign (resid  81 and name C)
       (resid  82 and name N)
       (resid  82 and name CA)
       (resid  82 and name C)
       1.0 -65  20 2

! Talos derived phi restraint:
assign (resid  82 and name C)
       (resid  83 and name N)
       (resid  83 and name CA)
       (resid  83 and name C)
       1.0 -74  30 2

! Talos derived psi restraint:
assign (resid   2 and name N)
       (resid   2 and name CA)
       (resid   2 and name C)
       (resid   3 and name N)
       1.0 132  52 2

! Talos derived psi restraint:
assign (resid   3 and name N)
       (resid   3 and name CA)
       (resid   3 and name C)
       (resid   4 and name N)
       1.0 128  20 2

! Talos derived psi restraint:
assign (resid   5 and name N)
       (resid   5 and name CA)
       (resid   5 and name C)
       (resid   6 and name N)
       1.0 144  20 2

! Talos derived psi restraint:
assign (resid   6 and name N)
       (resid   6 and name CA)
       (resid   6 and name C)
       (resid   7 and name N)
       1.0 169  20 2

! Talos derived psi restraint:
assign (resid   7 and name N)
       (resid   7 and name CA)
       (resid   7 and name C)
       (resid   8 and name N)
       1.0 -34  20 2

! Talos derived psi restraint:
assign (resid   8 and name N)
       (resid   8 and name CA)
       (resid   8 and name C)
       (resid   9 and name N)
       1.0 -41  20 2

! Talos derived psi restraint:
assign (resid   9 and name N)
       (resid   9 and name CA)
       (resid   9 and name C)
       (resid  10 and name N)
       1.0 -40  22 2

! Talos derived psi restraint:
assign (resid  10 and name N)
       (resid  10 and name CA)
       (resid  10 and name C)
       (resid  11 and name N)
       1.0 -44  20 2

! Talos derived psi restraint:
assign (resid  11 and name N)
       (resid  11 and name CA)
       (resid  11 and name C)
       (resid  12 and name N)
       1.0 -45  20 2

! Talos derived psi restraint:
assign (resid  12 and name N)
       (resid  12 and name CA)
       (resid  12 and name C)
       (resid  13 and name N)
       1.0 -43  20 2

! Talos derived psi restraint:
assign (resid  13 and name N)
       (resid  13 and name CA)
       (resid  13 and name C)
       (resid  14 and name N)
       1.0 -46  20 2

! Talos derived psi restraint:
assign (resid  14 and name N)
       (resid  14 and name CA)
       (resid  14 and name C)
       (resid  15 and name N)
       1.0 -37  20 2

! Talos derived psi restraint:
assign (resid  15 and name N)
       (resid  15 and name CA)
       (resid  15 and name C)
       (resid  16 and name N)
       1.0 -40  22 2

! Talos derived psi restraint:
assign (resid  16 and name N)
       (resid  16 and name CA)
       (resid  16 and name C)
       (resid  17 and name N)
       1.0 -33  20 2

! Talos derived psi restraint:
assign (resid  17 and name N)
       (resid  17 and name CA)
       (resid  17 and name C)
       (resid  18 and name N)
       1.0 -33  30 2

! Talos derived psi restraint:
assign (resid  31 and name N)
       (resid  31 and name CA)
       (resid  31 and name C)
       (resid  32 and name N)
       1.0 -31  20 2

! Talos derived psi restraint:
assign (resid  32 and name N)
       (resid  32 and name CA)
       (resid  32 and name C)
       (resid  33 and name N)
       1.0 -15  54 2

! Talos derived psi restraint:
assign (resid  34 and name N)
       (resid  34 and name CA)
       (resid  34 and name C)
       (resid  35 and name N)
       1.0 153  30 2

! Talos derived psi restraint:
assign (resid  35 and name N)
       (resid  35 and name CA)
       (resid  35 and name C)
       (resid  36 and name N)
       1.0 -32  20 2

! Talos derived psi restraint:
assign (resid  36 and name N)
       (resid  36 and name CA)
       (resid  36 and name C)
       (resid  37 and name N)
       1.0 -44  20 2

! Talos derived psi restraint:
assign (resid  37 and name N)
       (resid  37 and name CA)
       (resid  37 and name C)
       (resid  38 and name N)
       1.0 -29  20 2

! Talos derived psi restraint:
assign (resid  38 and name N)
       (resid  38 and name CA)
       (resid  38 and name C)
       (resid  39 and name N)
       1.0   4  28 2

! Talos derived psi restraint:
assign (resid  39 and name N)
       (resid  39 and name CA)
       (resid  39 and name C)
       (resid  40 and name N)
       1.0  14  36 2

! Talos derived psi restraint:
assign (resid  43 and name N)
       (resid  43 and name CA)
       (resid  43 and name C)
       (resid  44 and name N)
       1.0 -38  22 2

! Talos derived psi restraint:
assign (resid  44 and name N)
       (resid  44 and name CA)
       (resid  44 and name C)
       (resid  45 and name N)
       1.0 -39  20 2

! Talos derived psi restraint:
assign (resid  45 and name N)
       (resid  45 and name CA)
       (resid  45 and name C)
       (resid  46 and name N)
       1.0 -43  20 2

! Talos derived psi restraint:
assign (resid  46 and name N)
       (resid  46 and name CA)
       (resid  46 and name C)
       (resid  47 and name N)
       1.0 -40  20 2

! Talos derived psi restraint:
assign (resid  47 and name N)
       (resid  47 and name CA)
       (resid  47 and name C)
       (resid  48 and name N)
       1.0 -39  20 2

! Talos derived psi restraint:
assign (resid  48 and name N)
       (resid  48 and name CA)
       (resid  48 and name C)
       (resid  49 and name N)
       1.0 -42  20 2

! Talos derived psi restraint:
assign (resid  49 and name N)
       (resid  49 and name CA)
       (resid  49 and name C)
       (resid  50 and name N)
       1.0 -40  20 2

! Talos derived psi restraint:
assign (resid  50 and name N)
       (resid  50 and name CA)
       (resid  50 and name C)
       (resid  51 and name N)
       1.0 -42  20 2

! Talos derived psi restraint:
assign (resid  51 and name N)
       (resid  51 and name CA)
       (resid  51 and name C)
       (resid  52 and name N)
       1.0 -44  20 2

! Talos derived psi restraint:
assign (resid  52 and name N)
       (resid  52 and name CA)
       (resid  52 and name C)
       (resid  53 and name N)
       1.0 -42  20 2

! Talos derived psi restraint:
assign (resid  53 and name N)
       (resid  53 and name CA)
       (resid  53 and name C)
       (resid  54 and name N)
       1.0 -41  20 2

! Talos derived psi restraint:
assign (resid  54 and name N)
       (resid  54 and name CA)
       (resid  54 and name C)
       (resid  55 and name N)
       1.0 -44  20 2

! Talos derived psi restraint:
assign (resid  55 and name N)
       (resid  55 and name CA)
       (resid  55 and name C)
       (resid  56 and name N)
       1.0 -33  20 2

! Talos derived psi restraint:
assign (resid  56 and name N)
       (resid  56 and name CA)
       (resid  56 and name C)
       (resid  57 and name N)
       1.0   3  26 2

! Talos derived psi restraint:
assign (resid  58 and name N)
       (resid  58 and name CA)
       (resid  58 and name C)
       (resid  59 and name N)
       1.0 155  20 2

! Talos derived psi restraint:
assign (resid  59 and name N)
       (resid  59 and name CA)
       (resid  59 and name C)
       (resid  60 and name N)
       1.0 132  28 2

! Talos derived psi restraint:
assign (resid  60 and name N)
       (resid  60 and name CA)
       (resid  60 and name C)
       (resid  61 and name N)
       1.0 131  34 2

! Talos derived psi restraint:
assign (resid  61 and name N)
       (resid  61 and name CA)
       (resid  61 and name C)
       (resid  62 and name N)
       1.0 137  20 2

! Talos derived psi restraint:
assign (resid  62 and name N)
       (resid  62 and name CA)
       (resid  62 and name C)
       (resid  63 and name N)
       1.0 -31  32 2

! Talos derived psi restraint:
assign (resid  63 and name N)
       (resid  63 and name CA)
       (resid  63 and name C)
       (resid  64 and name N)
       1.0 -35  20 2

! Talos derived psi restraint:
assign (resid  64 and name N)
       (resid  64 and name CA)
       (resid  64 and name C)
       (resid  65 and name N)
       1.0 -39  26 2

! Talos derived psi restraint:
assign (resid  65 and name N)
       (resid  65 and name CA)
       (resid  65 and name C)
       (resid  66 and name N)
       1.0 -25  24 2

! Talos derived psi restraint:
assign (resid  68 and name N)
       (resid  68 and name CA)
       (resid  68 and name C)
       (resid  69 and name N)
       1.0 146  40 2

! Talos derived psi restraint:
assign (resid  71 and name N)
       (resid  71 and name CA)
       (resid  71 and name C)
       (resid  72 and name N)
       1.0 -32  20 2

! Talos derived psi restraint:
assign (resid  72 and name N)
       (resid  72 and name CA)
       (resid  72 and name C)
       (resid  73 and name N)
       1.0 -47  20 2

! Talos derived psi restraint:
assign (resid  73 and name N)
       (resid  73 and name CA)
       (resid  73 and name C)
       (resid  74 and name N)
       1.0 -37  20 2

! Talos derived psi restraint:
assign (resid  74 and name N)
       (resid  74 and name CA)
       (resid  74 and name C)
       (resid  75 and name N)
       1.0 -41  20 2

! Talos derived psi restraint:
assign (resid  75 and name N)
       (resid  75 and name CA)
       (resid  75 and name C)
       (resid  76 and name N)
       1.0 -42  20 2

! Talos derived psi restraint:
assign (resid  76 and name N)
       (resid  76 and name CA)
       (resid  76 and name C)
       (resid  77 and name N)
       1.0 -38  20 2

! Talos derived psi restraint:
assign (resid  77 and name N)
       (resid  77 and name CA)
       (resid  77 and name C)
       (resid  78 and name N)
       1.0 -40  20 2

! Talos derived psi restraint:
assign (resid  78 and name N)
       (resid  78 and name CA)
       (resid  78 and name C)
       (resid  79 and name N)
       1.0 -43  20 2

! Talos derived psi restraint:
assign (resid  79 and name N)
       (resid  79 and name CA)
       (resid  79 and name C)
       (resid  80 and name N)
       1.0 -35  20 2

! Talos derived psi restraint:
assign (resid  80 and name N)
       (resid  80 and name CA)
       (resid  80 and name C)
       (resid  81 and name N)
       1.0 -41  20 2

! Talos derived psi restraint:
assign (resid  81 and name N)
       (resid  81 and name CA)
       (resid  81 and name C)
       (resid  82 and name N)
       1.0 -40  20 2

! Talos derived psi restraint:
assign (resid  82 and name N)
       (resid  82 and name CA)
       (resid  82 and name C)
       (resid  83 and name N)
       1.0 -37  32 2

! Talos derived psi restraint:
assign (resid  83 and name N)
       (resid  83 and name CA)
       (resid  83 and name C)
       (resid  84 and name N)
       1.0 -24  42 2


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           HT1      MET   1  19.865   5.777   3.158
    2    H2   MET   1           HT2      MET   1  21.029   6.081   1.945
    3    H3   MET   1           HT3      MET   1  20.222   4.592   2.013
    4    HA   MET   1           HA       MET   1  18.897   7.182   1.629
    5    HB2  MET   1           HB2      MET   1  18.606   6.559  -0.751
    6    HB3  MET   1           HB1      MET   1  20.298   6.738  -0.336
    7    HG2  MET   1           HG2      MET   1  20.495   4.283  -0.214
    8    HG3  MET   1           HG1      MET   1  18.805   4.144  -0.686
    9    HE1  MET   1           HE1      MET   1  20.620   2.911  -3.906
   10    HE2  MET   1           HE2      MET   1  19.393   2.562  -2.691
   11    HE3  MET   1           HE3      MET   1  21.095   2.618  -2.235
   12    H    ALA   2           HN       ALA   2  16.893   7.066   2.308
   13    HA   ALA   2           HA       ALA   2  15.249   4.853   1.554
   14    HB1  ALA   2           HB1      ALA   2  15.655   5.365   4.506
   15    HB2  ALA   2           HB2      ALA   2  16.247   3.960   3.621
   16    HB3  ALA   2           HB3      ALA   2  14.514   4.226   3.791
   17    H    THR   3           HN       THR   3  14.302   6.622   0.441
   18    HA   THR   3           HA       THR   3  12.977   8.621   2.028
   19    HB   THR   3           HB       THR   3  13.706   9.266  -0.210
   20    HG1  THR   3           HG1      THR   3  11.482   9.780  -1.135
   21   HG21  THR   3          HG21      THR   3  11.830   7.154  -1.305
   22   HG22  THR   3          HG22      THR   3  13.591   7.104  -1.363
   23   HG23  THR   3          HG23      THR   3  12.714   8.336  -2.274
   24    H    LEU   4           HN       LEU   4  11.358   8.049   3.257
   25    HA   LEU   4           HA       LEU   4   9.869   5.633   2.630
   26    HB2  LEU   4           HB2      LEU   4   9.803   7.329   5.119
   27    HB3  LEU   4           HB1      LEU   4   9.040   5.770   4.903
   28    HG   LEU   4           HG       LEU   4  12.015   6.285   4.935
   29   HD11  LEU   4          HD11      LEU   4  11.008   6.522   7.123
   30   HD12  LEU   4          HD12      LEU   4  11.974   5.049   7.038
   31   HD13  LEU   4          HD13      LEU   4  10.215   4.959   6.947
   32   HD21  LEU   4          HD21      LEU   4  10.489   3.687   4.741
   33   HD22  LEU   4          HD22      LEU   4  12.239   3.849   4.917
   34   HD23  LEU   4          HD23      LEU   4  11.441   4.432   3.456
   35    H    LEU   5           HN       LEU   5   7.906   5.679   1.798
   36    HA   LEU   5           HA       LEU   5   6.528   8.116   1.361
   37    HB2  LEU   5           HB2      LEU   5   4.788   6.876   0.342
   38    HB3  LEU   5           HB1      LEU   5   6.255   6.022  -0.046
   39    HG   LEU   5           HG       LEU   5   4.265   5.177   2.062
   40   HD11  LEU   5          HD11      LEU   5   4.729   4.143  -0.712
   41   HD12  LEU   5          HD12      LEU   5   3.317   5.037  -0.140
   42   HD13  LEU   5          HD13      LEU   5   3.660   3.425   0.491
   43   HD21  LEU   5          HD21      LEU   5   6.666   3.761   0.926
   44   HD22  LEU   5          HD22      LEU   5   5.461   3.039   1.985
   45   HD23  LEU   5          HD23      LEU   5   6.476   4.350   2.579
   46    H    THR   6           HN       THR   6   4.779   8.953   2.394
   47    HA   THR   6           HA       THR   6   4.584   8.122   5.166
   48    HB   THR   6           HB       THR   6   3.596  10.356   5.531
   49    HG1  THR   6           HG1      THR   6   4.111  10.750   2.730
   50   HG21  THR   6          HG21      THR   6   6.183  10.413   3.960
   51   HG22  THR   6          HG22      THR   6   6.032  10.084   5.686
   52   HG23  THR   6          HG23      THR   6   5.616  11.677   5.052
   53    H    THR   7           HN       THR   7   2.174   9.082   5.949
   54    HA   THR   7           HA       THR   7   0.262   7.204   5.292
   55    HB   THR   7           HB       THR   7  -0.200  10.054   6.214
   56    HG1  THR   7           HG1      THR   7  -0.041   8.834   8.344
   57   HG21  THR   7          HG21      THR   7  -2.084   9.063   7.439
   58   HG22  THR   7          HG22      THR   7  -1.672   7.478   6.784
   59   HG23  THR   7          HG23      THR   7  -2.230   8.761   5.706
   60    H    ASP   8           HN       ASP   8   0.562  10.590   4.315
   61    HA   ASP   8           HA       ASP   8  -1.577  10.823   2.562
   62    HB2  ASP   8           HB2      ASP   8  -0.497  12.778   3.306
   63    HB3  ASP   8           HB1      ASP   8   1.058  12.250   2.662
   64    H    ASP   9           HN       ASP   9   1.714   9.806   1.920
   65    HA   ASP   9           HA       ASP   9   1.502   9.788  -0.908
   66    HB2  ASP   9           HB2      ASP   9   3.346   8.173   0.844
   67    HB3  ASP   9           HB1      ASP   9   3.484   8.311  -0.906
   68    H    LEU  10           HN       LEU  10   1.200   7.220   1.501
   69    HA   LEU  10           HA       LEU  10   0.568   5.171  -0.307
   70    HB2  LEU  10           HB2      LEU  10   1.187   4.810   2.080
   71    HB3  LEU  10           HB1      LEU  10  -0.367   5.465   2.555
   72    HG   LEU  10           HG       LEU  10  -1.456   3.580   1.283
   73   HD11  LEU  10          HD11      LEU  10  -0.116   1.634   0.741
   74   HD12  LEU  10          HD12      LEU  10   1.348   2.524   1.155
   75   HD13  LEU  10          HD13      LEU  10   0.358   3.044  -0.209
   76   HD21  LEU  10          HD21      LEU  10   0.397   2.814   3.539
   77   HD22  LEU  10          HD22      LEU  10  -1.022   1.909   3.015
   78   HD23  LEU  10          HD23      LEU  10  -1.210   3.518   3.711
   79    H    ARG  11           HN       ARG  11  -1.426   7.417   1.523
   80    HA   ARG  11           HA       ARG  11  -3.989   6.617   0.880
   81    HB2  ARG  11           HB2      ARG  11  -3.540   8.403   2.463
   82    HB3  ARG  11           HB1      ARG  11  -2.930   9.429   1.170
   83    HG2  ARG  11           HG2      ARG  11  -5.208   9.303   0.127
   84    HG3  ARG  11           HG1      ARG  11  -5.755   8.504   1.600
   85    HD2  ARG  11           HD2      ARG  11  -6.266  10.861   1.705
   86    HD3  ARG  11           HD1      ARG  11  -5.032  10.458   2.898
   87    HE   ARG  11           HE       ARG  11  -3.400  11.513   1.502
   88   HH11  ARG  11          HH11      ARG  11  -6.690  11.962   0.319
   89   HH12  ARG  11          HH12      ARG  11  -6.427  13.470  -0.389
   90   HH21  ARG  11          HH21      ARG  11  -2.944  13.525   0.441
   91   HH22  ARG  11          HH22      ARG  11  -4.140  14.375  -0.415
   92    H    ARG  12           HN       ARG  12  -2.103   9.118  -0.832
   93    HA   ARG  12           HA       ARG  12  -4.014   9.525  -2.837
   94    HB2  ARG  12           HB2      ARG  12  -1.075  10.149  -2.778
   95    HB3  ARG  12           HB1      ARG  12  -2.125  10.623  -4.105
   96    HG2  ARG  12           HG2      ARG  12  -3.516  11.886  -2.516
   97    HG3  ARG  12           HG1      ARG  12  -2.386  11.459  -1.230
   98    HD2  ARG  12           HD2      ARG  12  -1.593  12.913  -3.741
   99    HD3  ARG  12           HD1      ARG  12  -2.061  13.731  -2.253
  100    HE   ARG  12           HE       ARG  12  -0.144  12.707  -1.184
  101   HH11  ARG  12          HH11      ARG  12  -0.133  12.480  -4.726
  102   HH12  ARG  12          HH12      ARG  12   1.535  12.623  -4.880
  103   HH21  ARG  12          HH21      ARG  12   2.144  12.853  -1.372
  104   HH22  ARG  12          HH22      ARG  12   2.900  12.830  -2.905
  105    H    ALA  13           HN       ALA  13  -1.169   7.473  -2.784
  106    HA   ALA  13           HA       ALA  13  -1.374   6.633  -5.460
  107    HB1  ALA  13           HB1      ALA  13  -0.151   5.178  -3.115
  108    HB2  ALA  13           HB2      ALA  13   0.667   6.367  -4.129
  109    HB3  ALA  13           HB3      ALA  13   0.139   4.832  -4.820
  110    H    LEU  14           HN       LEU  14  -2.654   5.288  -2.450
  111    HA   LEU  14           HA       LEU  14  -3.656   2.929  -3.628
  112    HB2  LEU  14           HB2      LEU  14  -3.066   3.168  -1.318
  113    HB3  LEU  14           HB1      LEU  14  -4.402   4.273  -1.035
  114    HG   LEU  14           HG       LEU  14  -5.952   2.369  -1.675
  115   HD11  LEU  14          HD11      LEU  14  -4.366   1.001  -2.882
  116   HD12  LEU  14          HD12      LEU  14  -5.067   0.104  -1.537
  117   HD13  LEU  14          HD13      LEU  14  -3.432   0.750  -1.408
  118   HD21  LEU  14          HD21      LEU  14  -4.181   1.945   0.730
  119   HD22  LEU  14          HD22      LEU  14  -5.819   1.309   0.509
  120   HD23  LEU  14          HD23      LEU  14  -5.555   3.045   0.644
  121    H    VAL  15           HN       VAL  15  -5.072   6.110  -3.140
  122    HA   VAL  15           HA       VAL  15  -7.690   5.306  -3.970
  123    HB   VAL  15           HB       VAL  15  -6.405   8.074  -4.007
  124   HG11  VAL  15          HG11      VAL  15  -9.318   7.318  -4.311
  125   HG12  VAL  15          HG12      VAL  15  -8.283   7.978  -5.580
  126   HG13  VAL  15          HG13      VAL  15  -8.690   8.962  -4.175
  127   HG21  VAL  15          HG21      VAL  15  -7.733   8.466  -1.986
  128   HG22  VAL  15          HG22      VAL  15  -6.596   7.135  -1.775
  129   HG23  VAL  15          HG23      VAL  15  -8.307   6.798  -2.044
  130    H    GLU  16           HN       GLU  16  -4.832   6.474  -5.556
  131    HA   GLU  16           HA       GLU  16  -5.812   6.985  -8.118
  132    HB2  GLU  16           HB2      GLU  16  -3.626   7.711  -7.245
  133    HB3  GLU  16           HB1      GLU  16  -3.071   6.050  -7.266
  134    HG2  GLU  16           HG2      GLU  16  -3.218   6.011  -9.677
  135    HG3  GLU  16           HG1      GLU  16  -3.867   7.649  -9.683
  136    H    SER  17           HN       SER  17  -4.729   3.939  -6.635
  137    HA   SER  17           HA       SER  17  -4.931   2.524  -9.107
  138    HB2  SER  17           HB2      SER  17  -4.664   0.506  -7.455
  139    HB3  SER  17           HB1      SER  17  -3.301   1.575  -7.808
  140    HG   SER  17           HG       SER  17  -4.937   1.415  -5.544
  141    H    ALA  18           HN       ALA  18  -7.293   3.633  -7.090
  142    HA   ALA  18           HA       ALA  18  -9.077   1.381  -7.431
  143    HB1  ALA  18           HB1      ALA  18  -9.616   4.194  -6.476
  144    HB2  ALA  18           HB2      ALA  18  -9.277   2.804  -5.439
  145    HB3  ALA  18           HB3      ALA  18 -10.757   2.852  -6.406
  146    H    GLY  19           HN       GLY  19  -7.929   3.916  -9.237
  147    HA2  GLY  19           HA2      GLY  19  -8.464   4.023 -11.561
  148    HA3  GLY  19           HA1      GLY  19 -10.140   3.645 -11.123
  149    H    GLU  20           HN       GLU  20 -11.490   5.204 -10.675
  150    HA   GLU  20           HA       GLU  20 -10.621   7.915 -11.110
  151    HB2  GLU  20           HB2      GLU  20 -13.328   6.754 -10.464
  152    HB3  GLU  20           HB1      GLU  20 -13.018   8.451 -10.798
  153    HG2  GLU  20           HG2      GLU  20 -12.252   7.864 -13.033
  154    HG3  GLU  20           HG1      GLU  20 -12.581   6.164 -12.691
  155    H    THR  21           HN       THR  21 -11.028   9.597  -9.627
  156    HA   THR  21           HA       THR  21 -10.315   8.879  -6.947
  157    HB   THR  21           HB       THR  21 -11.122  11.525  -8.031
  158    HG1  THR  21           HG1      THR  21  -8.893   9.972  -8.508
  159   HG21  THR  21          HG21      THR  21 -10.993  11.455  -5.601
  160   HG22  THR  21          HG22      THR  21  -9.646  12.413  -6.217
  161   HG23  THR  21          HG23      THR  21  -9.376  10.754  -5.684
  162    H    ASP  22           HN       ASP  22 -12.160   7.713  -6.544
  163    HA   ASP  22           HA       ASP  22 -14.750   8.904  -6.196
  164    HB2  ASP  22           HB2      ASP  22 -14.595   6.466  -6.315
  165    HB3  ASP  22           HB1      ASP  22 -13.558   6.437  -4.890
  166    H    GLY  23           HN       GLY  23 -12.282   7.886  -3.904
  167    HA2  GLY  23           HA2      GLY  23 -11.368   9.460  -2.365
  168    HA3  GLY  23           HA1      GLY  23 -12.945  10.266  -2.307
  169    H    THR  24           HN       THR  24 -11.709   7.017  -1.965
  170    HA   THR  24           HA       THR  24 -13.276   6.393   0.323
  171    HB   THR  24           HB       THR  24 -10.639   5.208  -0.628
  172    HG1  THR  24           HG1      THR  24 -13.323   4.700  -1.468
  173   HG21  THR  24          HG21      THR  24 -12.975   3.987   0.873
  174   HG22  THR  24          HG22      THR  24 -11.420   4.423   1.579
  175   HG23  THR  24          HG23      THR  24 -11.513   3.132   0.382
  176    H    ASP  25           HN       ASP  25 -12.899   7.725   2.094
  177    HA   ASP  25           HA       ASP  25 -10.547   9.187   2.397
  178    HB2  ASP  25           HB2      ASP  25 -11.380   9.722   4.736
  179    HB3  ASP  25           HB1      ASP  25 -12.439  10.161   3.407
  180    H    LEU  26           HN       LEU  26  -8.751   8.593   2.731
  181    HA   LEU  26           HA       LEU  26  -8.118   6.406   4.599
  182    HB2  LEU  26           HB2      LEU  26  -6.753   7.231   2.022
  183    HB3  LEU  26           HB1      LEU  26  -6.253   5.921   3.075
  184    HG   LEU  26           HG       LEU  26  -8.909   5.972   1.653
  185   HD11  LEU  26          HD11      LEU  26  -7.196   6.036  -0.012
  186   HD12  LEU  26          HD12      LEU  26  -7.928   4.442   0.028
  187   HD13  LEU  26          HD13      LEU  26  -6.331   4.699   0.752
  188   HD21  LEU  26          HD21      LEU  26  -8.884   3.562   2.097
  189   HD22  LEU  26          HD22      LEU  26  -8.801   4.494   3.594
  190   HD23  LEU  26          HD23      LEU  26  -7.348   3.736   2.947
  191    H    SER  27           HN       SER  27  -8.338   8.882   5.624
  192    HA   SER  27           HA       SER  27  -5.610   9.965   5.646
  193    HB2  SER  27           HB2      SER  27  -8.199  11.439   6.137
  194    HB3  SER  27           HB1      SER  27  -6.578  12.146   6.108
  195    HG   SER  27           HG       SER  27  -7.474  10.663   3.926
  196    H    GLY  28           HN       GLY  28  -4.883  10.796   7.710
  197    HA2  GLY  28           HA2      GLY  28  -4.822  10.884  10.015
  198    HA3  GLY  28           HA1      GLY  28  -6.399  10.093  10.073
  199    H    ASP  29           HN       ASP  29  -6.221   8.227  11.105
  200    HA   ASP  29           HA       ASP  29  -3.931   6.560  10.380
  201    HB2  ASP  29           HB2      ASP  29  -3.938   7.206  12.791
  202    HB3  ASP  29           HB1      ASP  29  -5.518   6.449  12.964
  203    H    PHE  30           HN       PHE  30  -4.931   5.789   8.631
  204    HA   PHE  30           HA       PHE  30  -7.487   4.370   8.933
  205    HB2  PHE  30           HB2      PHE  30  -7.604   4.409   6.521
  206    HB3  PHE  30           HB1      PHE  30  -7.181   6.023   7.071
  207    HD1  PHE  30           HD1      PHE  30  -4.675   6.650   7.005
  208    HD2  PHE  30           HD2      PHE  30  -6.312   3.354   4.873
  209    HE1  PHE  30           HE1      PHE  30  -2.728   6.660   5.509
  210    HE2  PHE  30           HE2      PHE  30  -4.358   3.362   3.375
  211    HZ   PHE  30           HZ       PHE  30  -2.613   4.970   3.635
  212    H    LEU  31           HN       LEU  31  -4.572   3.629   9.632
  213    HA   LEU  31           HA       LEU  31  -3.931   1.518   7.846
  214    HB2  LEU  31           HB2      LEU  31  -2.697   2.281  10.488
  215    HB3  LEU  31           HB1      LEU  31  -2.084   1.011   9.457
  216    HG   LEU  31           HG       LEU  31  -0.681   2.847   9.112
  217   HD11  LEU  31          HD11      LEU  31  -0.971   3.483   6.784
  218   HD12  LEU  31          HD12      LEU  31  -2.599   2.805   6.821
  219   HD13  LEU  31          HD13      LEU  31  -1.203   1.756   7.067
  220   HD21  LEU  31          HD21      LEU  31  -1.424   5.112   8.490
  221   HD22  LEU  31          HD22      LEU  31  -2.007   4.638  10.084
  222   HD23  LEU  31          HD23      LEU  31  -3.101   4.605   8.698
  223    H    ASP  32           HN       ASP  32  -6.070   1.703  10.439
  224    HA   ASP  32           HA       ASP  32  -5.858  -1.124  11.106
  225    HB2  ASP  32           HB2      ASP  32  -7.410  -0.681  12.894
  226    HB3  ASP  32           HB1      ASP  32  -6.189   0.580  12.920
  227    H    LEU  33           HN       LEU  33  -7.244   0.621   8.715
  228    HA   LEU  33           HA       LEU  33  -9.789  -0.739   8.566
  229    HB2  LEU  33           HB2      LEU  33  -8.253   0.778   6.440
  230    HB3  LEU  33           HB1      LEU  33  -9.900   0.210   6.283
  231    HG   LEU  33           HG       LEU  33  -8.935   2.365   8.159
  232   HD11  LEU  33          HD11      LEU  33  -8.975   3.048   5.825
  233   HD12  LEU  33          HD12      LEU  33 -10.271   3.838   6.726
  234   HD13  LEU  33          HD13      LEU  33 -10.635   2.474   5.672
  235   HD21  LEU  33          HD21      LEU  33 -11.719   1.313   7.655
  236   HD22  LEU  33          HD22      LEU  33 -11.310   2.714   8.646
  237   HD23  LEU  33          HD23      LEU  33 -10.786   1.105   9.136
  238    H    ARG  34           HN       ARG  34 -10.176  -2.101   6.489
  239    HA   ARG  34           HA       ARG  34  -7.707  -3.631   5.963
  240    HB2  ARG  34           HB2      ARG  34 -10.461  -4.815   6.199
  241    HB3  ARG  34           HB1      ARG  34  -9.006  -5.685   5.753
  242    HG2  ARG  34           HG2      ARG  34  -8.066  -5.081   7.938
  243    HG3  ARG  34           HG1      ARG  34  -9.651  -4.441   8.416
  244    HD2  ARG  34           HD2      ARG  34  -8.876  -7.256   7.693
  245    HD3  ARG  34           HD1      ARG  34  -9.560  -6.670   9.208
  246    HE   ARG  34           HE       ARG  34 -11.611  -6.224   7.978
  247   HH11  ARG  34          HH11      ARG  34  -9.255  -8.480   6.525
  248   HH12  ARG  34          HH12      ARG  34 -10.410  -9.416   5.722
  249   HH21  ARG  34          HH21      ARG  34 -13.220  -7.469   6.758
  250   HH22  ARG  34          HH22      ARG  34 -12.717  -8.813   5.818
  251    H    PHE  35           HN       PHE  35  -7.403  -4.488   3.959
  252    HA   PHE  35           HA       PHE  35  -8.485  -2.978   1.834
  253    HB2  PHE  35           HB2      PHE  35  -6.843  -5.503   1.795
  254    HB3  PHE  35           HB1      PHE  35  -7.319  -4.621   0.348
  255    HD1  PHE  35           HD2      PHE  35  -6.816  -1.946   0.679
  256    HD2  PHE  35           HD1      PHE  35  -4.690  -5.166   2.453
  257    HE1  PHE  35           HE2      PHE  35  -4.863  -0.490   0.974
  258    HE2  PHE  35           HE1      PHE  35  -2.734  -3.711   2.758
  259    HZ   PHE  35           HZ       PHE  35  -2.754  -1.423   1.806
  260    H    GLU  36           HN       GLU  36  -9.232  -6.144   3.110
  261    HA   GLU  36           HA       GLU  36 -10.967  -6.988   1.038
  262    HB2  GLU  36           HB2      GLU  36 -10.023  -8.450   2.821
  263    HB3  GLU  36           HB1      GLU  36 -11.063  -7.652   3.986
  264    HG2  GLU  36           HG2      GLU  36 -13.027  -8.475   2.719
  265    HG3  GLU  36           HG1      GLU  36 -11.922  -9.367   1.669
  266    H    ASP  37           HN       ASP  37 -11.364  -5.035   3.897
  267    HA   ASP  37           HA       ASP  37 -14.214  -4.946   3.818
  268    HB2  ASP  37           HB2      ASP  37 -12.899  -4.658   5.901
  269    HB3  ASP  37           HB1      ASP  37 -12.293  -3.129   5.278
  270    H    ILE  38           HN       ILE  38 -11.603  -2.849   2.687
  271    HA   ILE  38           HA       ILE  38 -13.540  -0.955   1.663
  272    HB   ILE  38           HB       ILE  38 -11.653   0.406   0.865
  273   HG12  ILE  38          HG12      ILE  38  -9.881  -1.777   2.008
  274   HG13  ILE  38          HG11      ILE  38 -10.092  -1.433   0.296
  275   HG21  ILE  38          HG21      ILE  38 -11.337  -0.505   3.718
  276   HG22  ILE  38          HG22      ILE  38 -12.435   0.744   3.125
  277   HG23  ILE  38          HG23      ILE  38 -10.689   0.991   3.042
  278   HD11  ILE  38          HD11      ILE  38  -9.074   0.775   0.635
  279   HD12  ILE  38          HD12      ILE  38  -7.995  -0.531   1.125
  280   HD13  ILE  38          HD13      ILE  38  -8.858   0.404   2.345
  281    H    GLY  39           HN       GLY  39 -12.984  -3.789   0.625
  282    HA2  GLY  39           HA2      GLY  39 -13.427  -4.854  -1.355
  283    HA3  GLY  39           HA1      GLY  39 -13.969  -3.309  -1.971
  284    H    TYR  40           HN       TYR  40 -10.719  -4.332  -0.928
  285    HA   TYR  40           HA       TYR  40  -9.819  -3.549  -3.586
  286    HB2  TYR  40           HB2      TYR  40  -8.720  -3.008  -0.988
  287    HB3  TYR  40           HB1      TYR  40  -7.614  -4.025  -1.936
  288    HD1  TYR  40           HD1      TYR  40  -9.598  -0.929  -2.196
  289    HD2  TYR  40           HD2      TYR  40  -6.203  -3.114  -3.502
  290    HE1  TYR  40           HE1      TYR  40  -8.814   1.041  -3.407
  291    HE2  TYR  40           HE2      TYR  40  -5.404  -1.143  -4.729
  292    HH   TYR  40           HH       TYR  40  -6.322   0.930  -5.672
  293    H    ASP  41           HN       ASP  41  -8.806  -4.837  -4.845
  294    HA   ASP  41           HA       ASP  41  -8.879  -7.697  -4.352
  295    HB2  ASP  41           HB2      ASP  41  -7.769  -6.165  -6.731
  296    HB3  ASP  41           HB1      ASP  41  -8.089  -7.892  -6.665
  297    H    SER  42           HN       SER  42  -6.990  -9.022  -4.116
  298    HA   SER  42           HA       SER  42  -4.706  -7.736  -3.101
  299    HB2  SER  42           HB2      SER  42  -5.123 -10.585  -4.004
  300    HB3  SER  42           HB1      SER  42  -3.725 -10.017  -3.073
  301    H    LEU  43           HN       LEU  43  -5.587  -8.856  -6.233
  302    HA   LEU  43           HA       LEU  43  -3.188  -8.606  -7.647
  303    HB2  LEU  43           HB2      LEU  43  -5.988  -7.871  -8.507
  304    HB3  LEU  43           HB1      LEU  43  -4.632  -8.134  -9.586
  305    HG   LEU  43           HG       LEU  43  -5.739 -10.277  -7.780
  306   HD11  LEU  43          HD11      LEU  43  -6.344  -9.711 -10.677
  307   HD12  LEU  43          HD12      LEU  43  -7.460  -9.539  -9.316
  308   HD13  LEU  43          HD13      LEU  43  -6.858 -11.132  -9.764
  309   HD21  LEU  43          HD21      LEU  43  -4.533 -11.766  -9.304
  310   HD22  LEU  43          HD22      LEU  43  -3.439 -10.621  -8.531
  311   HD23  LEU  43          HD23      LEU  43  -3.941 -10.371 -10.205
  312    H    ALA  44           HN       ALA  44  -5.587  -6.264  -6.613
  313    HA   ALA  44           HA       ALA  44  -4.438  -4.010  -7.910
  314    HB1  ALA  44           HB1      ALA  44  -6.400  -4.097  -5.613
  315    HB2  ALA  44           HB2      ALA  44  -6.830  -4.140  -7.323
  316    HB3  ALA  44           HB3      ALA  44  -6.049  -2.713  -6.644
  317    H    LEU  45           HN       LEU  45  -4.067  -5.572  -4.834
  318    HA   LEU  45           HA       LEU  45  -2.634  -3.473  -3.562
  319    HB2  LEU  45           HB2      LEU  45  -2.466  -6.433  -3.030
  320    HB3  LEU  45           HB1      LEU  45  -1.920  -5.159  -1.959
  321    HG   LEU  45           HG       LEU  45  -4.771  -5.741  -2.722
  322   HD11  LEU  45          HD11      LEU  45  -5.023  -6.288  -0.365
  323   HD12  LEU  45          HD12      LEU  45  -3.302  -5.993  -0.121
  324   HD13  LEU  45          HD13      LEU  45  -3.828  -7.330  -1.146
  325   HD21  LEU  45          HD21      LEU  45  -3.629  -3.610  -0.932
  326   HD22  LEU  45          HD22      LEU  45  -5.342  -3.981  -1.131
  327   HD23  LEU  45          HD23      LEU  45  -4.410  -3.356  -2.493
  328    H    MET  46           HN       MET  46  -1.743  -6.289  -5.426
  329    HA   MET  46           HA       MET  46   1.054  -5.978  -5.366
  330    HB2  MET  46           HB2      MET  46  -0.739  -7.104  -7.520
  331    HB3  MET  46           HB1      MET  46   1.010  -7.197  -7.566
  332    HG2  MET  46           HG2      MET  46   1.039  -8.602  -5.602
  333    HG3  MET  46           HG1      MET  46  -0.708  -8.401  -5.406
  334    HE1  MET  46           HE1      MET  46   1.153  -8.774  -8.823
  335    HE2  MET  46           HE2      MET  46   1.206 -10.529  -9.018
  336    HE3  MET  46           HE3      MET  46   2.139  -9.755  -7.736
  337    H    GLU  47           HN       GLU  47  -1.410  -4.719  -7.535
  338    HA   GLU  47           HA       GLU  47   0.216  -3.269  -9.289
  339    HB2  GLU  47           HB2      GLU  47  -2.170  -3.808  -9.612
  340    HB3  GLU  47           HB1      GLU  47  -2.586  -2.654  -8.362
  341    HG2  GLU  47           HG2      GLU  47  -1.729  -0.837  -9.709
  342    HG3  GLU  47           HG1      GLU  47  -1.215  -1.984 -10.948
  343    H    THR  48           HN       THR  48  -1.381  -2.292  -6.305
  344    HA   THR  48           HA       THR  48  -0.569   0.363  -6.128
  345    HB   THR  48           HB       THR  48  -1.032  -1.662  -3.902
  346    HG1  THR  48           HG1      THR  48  -2.864  -1.424  -5.187
  347   HG21  THR  48          HG21      THR  48  -1.096   1.372  -3.798
  348   HG22  THR  48          HG22      THR  48   0.116   0.341  -3.032
  349   HG23  THR  48          HG23      THR  48  -1.559   0.295  -2.484
  350    H    ALA  49           HN       ALA  49   0.956  -2.563  -4.767
  351    HA   ALA  49           HA       ALA  49   3.220  -1.342  -3.698
  352    HB1  ALA  49           HB1      ALA  49   4.170  -3.599  -3.651
  353    HB2  ALA  49           HB2      ALA  49   2.868  -4.169  -4.697
  354    HB3  ALA  49           HB3      ALA  49   2.505  -3.579  -3.077
  355    H    ALA  50           HN       ALA  50   2.692  -2.804  -6.906
  356    HA   ALA  50           HA       ALA  50   5.248  -2.734  -7.948
  357    HB1  ALA  50           HB1      ALA  50   2.685  -2.206  -9.455
  358    HB2  ALA  50           HB2      ALA  50   3.331  -3.796  -9.050
  359    HB3  ALA  50           HB3      ALA  50   4.216  -2.741 -10.149
  360    H    ARG  51           HN       ARG  51   2.914  -0.133  -7.776
  361    HA   ARG  51           HA       ARG  51   4.293   1.752  -9.331
  362    HB2  ARG  51           HB2      ARG  51   1.983   1.993  -8.978
  363    HB3  ARG  51           HB1      ARG  51   2.150   1.825  -7.244
  364    HG2  ARG  51           HG2      ARG  51   3.137   3.957  -7.077
  365    HG3  ARG  51           HG1      ARG  51   3.148   4.152  -8.843
  366    HD2  ARG  51           HD2      ARG  51   1.245   5.331  -7.738
  367    HD3  ARG  51           HD1      ARG  51   0.735   4.108  -8.904
  368    HE   ARG  51           HE       ARG  51   0.784   3.612  -5.996
  369   HH11  ARG  51          HH11      ARG  51  -0.863   3.458  -9.136
  370   HH12  ARG  51          HH12      ARG  51  -2.205   2.610  -8.594
  371   HH21  ARG  51          HH21      ARG  51  -1.083   2.454  -5.169
  372   HH22  ARG  51          HH22      ARG  51  -2.381   2.097  -6.183
  373    H    LEU  52           HN       LEU  52   4.281   0.912  -5.944
  374    HA   LEU  52           HA       LEU  52   5.810   3.192  -5.130
  375    HB2  LEU  52           HB2      LEU  52   5.115   0.683  -3.621
  376    HB3  LEU  52           HB1      LEU  52   5.736   2.171  -2.934
  377    HG   LEU  52           HG       LEU  52   3.063   1.875  -4.304
  378   HD11  LEU  52          HD11      LEU  52   2.107   2.125  -2.077
  379   HD12  LEU  52          HD12      LEU  52   3.730   2.117  -1.386
  380   HD13  LEU  52          HD13      LEU  52   3.113   0.681  -2.204
  381   HD21  LEU  52          HD21      LEU  52   4.255   4.204  -2.795
  382   HD22  LEU  52          HD22      LEU  52   2.613   4.123  -3.428
  383   HD23  LEU  52          HD23      LEU  52   3.986   4.125  -4.535
  384    H    GLU  53           HN       GLU  53   6.430  -0.114  -6.027
  385    HA   GLU  53           HA       GLU  53   8.984  -0.563  -5.032
  386    HB2  GLU  53           HB2      GLU  53   7.909  -1.370  -7.726
  387    HB3  GLU  53           HB1      GLU  53   9.337  -2.031  -6.958
  388    HG2  GLU  53           HG2      GLU  53   7.945  -2.939  -5.180
  389    HG3  GLU  53           HG1      GLU  53   6.511  -2.288  -5.984
  390    H    SER  54           HN       SER  54   8.119   0.635  -8.224
  391    HA   SER  54           HA       SER  54  10.755   1.205  -9.030
  392    HB2  SER  54           HB2      SER  54   8.792   0.731 -10.530
  393    HB3  SER  54           HB1      SER  54   8.176   2.335 -10.150
  394    HG   SER  54           HG       SER  54   9.865   1.614 -11.990
  395    H    ARG  55           HN       ARG  55   8.242   3.110  -7.486
  396    HA   ARG  55           HA       ARG  55   9.460   5.631  -7.880
  397    HB2  ARG  55           HB2      ARG  55   7.075   5.442  -7.468
  398    HB3  ARG  55           HB1      ARG  55   7.374   4.758  -5.885
  399    HG2  ARG  55           HG2      ARG  55   6.717   7.020  -5.567
  400    HG3  ARG  55           HG1      ARG  55   8.438   6.930  -5.226
  401    HD2  ARG  55           HD2      ARG  55   7.211   7.914  -7.810
  402    HD3  ARG  55           HD1      ARG  55   7.790   8.941  -6.509
  403    HE   ARG  55           HE       ARG  55   9.863   7.234  -7.366
  404   HH11  ARG  55          HH11      ARG  55   8.212  10.241  -8.221
  405   HH12  ARG  55          HH12      ARG  55   9.322  10.691  -9.425
  406   HH21  ARG  55          HH21      ARG  55  11.417   7.831  -8.983
  407   HH22  ARG  55          HH22      ARG  55  11.196   9.289  -9.857
  408    H    TYR  56           HN       TYR  56   9.524   3.365  -5.117
  409    HA   TYR  56           HA       TYR  56  11.290   5.284  -3.798
  410    HB2  TYR  56           HB2      TYR  56   9.532   3.149  -2.614
  411    HB3  TYR  56           HB1      TYR  56  10.714   4.063  -1.673
  412    HD1  TYR  56           HD1      TYR  56  10.517   6.531  -1.565
  413    HD2  TYR  56           HD2      TYR  56   7.408   4.124  -3.158
  414    HE1  TYR  56           HE1      TYR  56   8.975   8.401  -1.323
  415    HE2  TYR  56           HE2      TYR  56   5.830   6.010  -2.916
  416    HH   TYR  56           HH       TYR  56   6.988   9.173  -2.238
  417    H    GLY  57           HN       GLY  57  11.495   2.271  -5.297
  418    HA2  GLY  57           HA2      GLY  57  13.584   1.315  -5.774
  419    HA3  GLY  57           HA1      GLY  57  14.262   2.165  -4.395
  420    H    VAL  58           HN       VAL  58  11.519  -0.018  -4.723
  421    HA   VAL  58           HA       VAL  58  12.896  -1.931  -2.994
  422    HB   VAL  58           HB       VAL  58  10.783  -2.485  -1.813
  423   HG11  VAL  58          HG11      VAL  58  10.614  -0.538  -0.360
  424   HG12  VAL  58          HG12      VAL  58  11.521   0.411  -1.537
  425   HG13  VAL  58          HG13      VAL  58  12.291  -0.948  -0.721
  426   HG21  VAL  58          HG21      VAL  58   9.179  -1.757  -3.481
  427   HG22  VAL  58          HG22      VAL  58   9.640  -0.075  -3.215
  428   HG23  VAL  58          HG23      VAL  58   8.842  -0.987  -1.932
  429    H    SER  59           HN       SER  59  11.713  -4.094  -3.101
  430    HA   SER  59           HA       SER  59  10.168  -4.419  -5.510
  431    HB2  SER  59           HB2      SER  59  11.556  -6.445  -6.106
  432    HB3  SER  59           HB1      SER  59  12.385  -4.906  -6.330
  433    HG   SER  59           HG       SER  59  13.663  -5.333  -4.595
  434    H    ILE  60           HN       ILE  60   8.432  -5.530  -5.024
  435    HA   ILE  60           HA       ILE  60   8.505  -7.117  -2.549
  436    HB   ILE  60           HB       ILE  60   6.169  -5.619  -3.776
  437   HG12  ILE  60          HG12      ILE  60   7.680  -5.169  -1.191
  438   HG13  ILE  60          HG11      ILE  60   7.820  -4.185  -2.639
  439   HG21  ILE  60          HG21      ILE  60   4.893  -6.317  -1.791
  440   HG22  ILE  60          HG22      ILE  60   6.262  -7.294  -1.258
  441   HG23  ILE  60          HG23      ILE  60   5.412  -7.706  -2.747
  442   HD11  ILE  60          HD11      ILE  60   6.424  -3.137  -0.954
  443   HD12  ILE  60          HD12      ILE  60   5.332  -4.523  -0.982
  444   HD13  ILE  60          HD13      ILE  60   5.508  -3.503  -2.413
  445    HA   PRO  61           HA       PRO  61   7.971 -10.532  -5.411
  446    HB2  PRO  61           HB2      PRO  61   7.339 -11.858  -2.813
  447    HB3  PRO  61           HB1      PRO  61   8.438 -12.376  -4.100
  448    HG2  PRO  61           HG2      PRO  61   9.401 -11.338  -1.849
  449    HG3  PRO  61           HG1      PRO  61  10.127 -10.932  -3.416
  450    HD2  PRO  61           HD2      PRO  61   8.309  -9.311  -1.692
  451    HD3  PRO  61           HD1      PRO  61   9.689  -8.795  -2.684
  452    H    ASP  62           HN       ASP  62   6.263 -11.539  -6.256
  453    HA   ASP  62           HA       ASP  62   3.807 -10.380  -6.408
  454    HB2  ASP  62           HB2      ASP  62   4.482 -13.283  -6.886
  455    HB3  ASP  62           HB1      ASP  62   2.930 -12.574  -7.292
  456    H    ASP  63           HN       ASP  63   4.498 -13.246  -4.461
  457    HA   ASP  63           HA       ASP  63   1.817 -13.528  -3.561
  458    HB2  ASP  63           HB2      ASP  63   3.288 -15.445  -3.708
  459    HB3  ASP  63           HB1      ASP  63   4.348 -14.755  -2.484
  460    H    VAL  64           HN       VAL  64   4.476 -11.734  -2.336
  461    HA   VAL  64           HA       VAL  64   3.776 -11.559   0.407
  462    HB   VAL  64           HB       VAL  64   5.244  -9.576  -1.317
  463   HG11  VAL  64          HG11      VAL  64   6.258  -8.790   0.821
  464   HG12  VAL  64          HG12      VAL  64   5.233  -9.922   1.702
  465   HG13  VAL  64          HG13      VAL  64   4.506  -8.581   0.817
  466   HG21  VAL  64          HG21      VAL  64   6.278 -11.830   0.399
  467   HG22  VAL  64          HG22      VAL  64   7.283 -10.631  -0.421
  468   HG23  VAL  64          HG23      VAL  64   6.299 -11.750  -1.362
  469    H    ALA  65           HN       ALA  65   3.100  -9.459  -2.347
  470    HA   ALA  65           HA       ALA  65   1.694  -7.507  -0.840
  471    HB1  ALA  65           HB1      ALA  65   1.610  -8.044  -3.790
  472    HB2  ALA  65           HB2      ALA  65   2.745  -6.971  -2.967
  473    HB3  ALA  65           HB3      ALA  65   1.021  -6.584  -2.998
  474    H    GLY  66           HN       GLY  66   0.764 -10.576  -1.964
  475    HA2  GLY  66           HA2      GLY  66  -2.071  -9.954  -1.975
  476    HA3  GLY  66           HA1      GLY  66  -1.351 -11.543  -2.241
  477    H    ARG  67           HN       ARG  67   0.243 -10.512   0.322
  478    HA   ARG  67           HA       ARG  67  -1.572 -11.877   2.162
  479    HB2  ARG  67           HB2      ARG  67   1.403 -11.615   2.063
  480    HB3  ARG  67           HB1      ARG  67   0.600 -12.004   3.573
  481    HG2  ARG  67           HG2      ARG  67  -0.406 -13.976   2.526
  482    HG3  ARG  67           HG1      ARG  67   0.431 -13.586   1.022
  483    HD2  ARG  67           HD2      ARG  67   2.022 -13.828   3.527
  484    HD3  ARG  67           HD1      ARG  67   1.433 -15.297   2.761
  485    HE   ARG  67           HE       ARG  67   2.647 -14.628   0.766
  486   HH11  ARG  67          HH11      ARG  67   3.673 -12.825   3.683
  487   HH12  ARG  67          HH12      ARG  67   5.313 -12.856   3.209
  488   HH21  ARG  67          HH21      ARG  67   4.866 -14.615   0.212
  489   HH22  ARG  67          HH22      ARG  67   6.014 -13.846   1.222
  490    H    VAL  68           HN       VAL  68  -1.263  -8.835   1.430
  491    HA   VAL  68           HA       VAL  68  -1.031  -7.958   4.208
  492    HB   VAL  68           HB       VAL  68  -0.840  -5.623   3.338
  493   HG11  VAL  68          HG11      VAL  68   1.137  -6.898   3.872
  494   HG12  VAL  68          HG12      VAL  68   1.441  -5.865   2.473
  495   HG13  VAL  68          HG13      VAL  68   1.158  -7.593   2.253
  496   HG21  VAL  68          HG21      VAL  68  -1.978  -5.901   1.171
  497   HG22  VAL  68          HG22      VAL  68  -0.658  -6.940   0.620
  498   HG23  VAL  68          HG23      VAL  68  -0.353  -5.242   0.969
  499    H    ASP  69           HN       ASP  69  -2.764  -7.760   5.319
  500    HA   ASP  69           HA       ASP  69  -5.358  -7.670   3.994
  501    HB2  ASP  69           HB2      ASP  69  -5.087  -9.346   5.721
  502    HB3  ASP  69           HB1      ASP  69  -4.559  -8.133   6.872
  503    H    THR  70           HN       THR  70  -3.394  -5.795   6.215
  504    HA   THR  70           HA       THR  70  -5.399  -3.665   6.071
  505    HB   THR  70           HB       THR  70  -4.262  -2.807   8.156
  506    HG1  THR  70           HG1      THR  70  -3.176  -5.308   8.648
  507   HG21  THR  70          HG21      THR  70  -5.381  -5.616   8.311
  508   HG22  THR  70          HG22      THR  70  -6.332  -4.130   8.302
  509   HG23  THR  70          HG23      THR  70  -5.260  -4.484   9.661
  510    HA   PRO  71           HA       PRO  71  -2.658  -1.081   3.739
  511    HB2  PRO  71           HB2      PRO  71  -3.286   1.137   5.605
  512    HB3  PRO  71           HB1      PRO  71  -3.503   1.043   3.854
  513    HG2  PRO  71           HG2      PRO  71  -5.596   0.886   5.481
  514    HG3  PRO  71           HG1      PRO  71  -5.490  -0.126   4.026
  515    HD2  PRO  71           HD2      PRO  71  -4.973  -0.856   6.881
  516    HD3  PRO  71           HD1      PRO  71  -5.821  -1.772   5.621
  517    H    ARG  72           HN       ARG  72  -2.346  -1.156   7.211
  518    HA   ARG  72           HA       ARG  72   0.068   0.272   7.406
  519    HB2  ARG  72           HB2      ARG  72   0.392  -0.749   9.606
  520    HB3  ARG  72           HB1      ARG  72  -1.259  -0.191   9.412
  521    HG2  ARG  72           HG2      ARG  72  -2.039  -2.428   9.092
  522    HG3  ARG  72           HG1      ARG  72  -0.385  -3.043   9.052
  523    HD2  ARG  72           HD2      ARG  72  -1.407  -3.481  11.207
  524    HD3  ARG  72           HD1      ARG  72  -0.074  -2.347  11.365
  525    HE   ARG  72           HE       ARG  72  -1.718  -0.565  11.543
  526   HH11  ARG  72          HH11      ARG  72  -2.880  -3.894  12.114
  527   HH12  ARG  72          HH12      ARG  72  -4.163  -3.419  13.108
  528   HH21  ARG  72          HH21      ARG  72  -3.502   0.096  12.905
  529   HH22  ARG  72          HH22      ARG  72  -4.484  -1.095  13.623
  530    H    GLU  73           HN       GLU  73  -0.610  -3.106   6.696
  531    HA   GLU  73           HA       GLU  73   2.071  -3.986   6.964
  532    HB2  GLU  73           HB2      GLU  73  -0.208  -5.217   5.407
  533    HB3  GLU  73           HB1      GLU  73   1.305  -6.013   5.807
  534    HG2  GLU  73           HG2      GLU  73   0.752  -5.798   8.193
  535    HG3  GLU  73           HG1      GLU  73  -0.793  -5.079   7.744
  536    H    LEU  74           HN       LEU  74   0.086  -2.959   4.250
  537    HA   LEU  74           HA       LEU  74   1.984  -3.493   2.212
  538    HB2  LEU  74           HB2      LEU  74  -0.527  -3.091   1.967
  539    HB3  LEU  74           HB1      LEU  74  -0.203  -1.390   2.169
  540    HG   LEU  74           HG       LEU  74  -0.631  -2.139  -0.180
  541   HD11  LEU  74          HD11      LEU  74   2.086  -0.917   0.270
  542   HD12  LEU  74          HD12      LEU  74   0.553  -0.050   0.193
  543   HD13  LEU  74          HD13      LEU  74   1.174  -0.871  -1.240
  544   HD21  LEU  74          HD21      LEU  74   2.037  -3.499   0.106
  545   HD22  LEU  74          HD22      LEU  74   1.159  -3.281  -1.408
  546   HD23  LEU  74          HD23      LEU  74   0.475  -4.283  -0.126
  547    H    LEU  75           HN       LEU  75   1.327  -0.646   4.185
  548    HA   LEU  75           HA       LEU  75   3.214   1.112   3.011
  549    HB2  LEU  75           HB2      LEU  75   1.364   1.790   4.525
  550    HB3  LEU  75           HB1      LEU  75   2.181   0.998   5.852
  551    HG   LEU  75           HG       LEU  75   4.069   2.643   5.562
  552   HD11  LEU  75          HD11      LEU  75   2.125   3.987   3.714
  553   HD12  LEU  75          HD12      LEU  75   3.666   3.256   3.266
  554   HD13  LEU  75          HD13      LEU  75   3.636   4.672   4.315
  555   HD21  LEU  75          HD21      LEU  75   2.359   2.923   7.289
  556   HD22  LEU  75          HD22      LEU  75   1.340   3.791   6.142
  557   HD23  LEU  75          HD23      LEU  75   2.883   4.478   6.648
  558    H    ASP  76           HN       ASP  76   3.329  -1.162   5.691
  559    HA   ASP  76           HA       ASP  76   5.925  -0.590   6.644
  560    HB2  ASP  76           HB2      ASP  76   4.100  -1.762   7.912
  561    HB3  ASP  76           HB1      ASP  76   4.396  -3.181   6.920
  562    H    LEU  77           HN       LEU  77   4.738  -2.655   4.106
  563    HA   LEU  77           HA       LEU  77   7.015  -4.250   3.706
  564    HB2  LEU  77           HB2      LEU  77   5.027  -3.221   1.685
  565    HB3  LEU  77           HB1      LEU  77   6.237  -4.421   1.316
  566    HG   LEU  77           HG       LEU  77   3.919  -4.726   3.208
  567   HD11  LEU  77          HD11      LEU  77   3.310  -4.770   0.859
  568   HD12  LEU  77          HD12      LEU  77   3.166  -6.377   1.571
  569   HD13  LEU  77          HD13      LEU  77   4.547  -5.988   0.546
  570   HD21  LEU  77          HD21      LEU  77   6.070  -6.711   2.457
  571   HD22  LEU  77          HD22      LEU  77   4.647  -7.051   3.437
  572   HD23  LEU  77          HD23      LEU  77   5.882  -5.939   4.031
  573    H    ILE  78           HN       ILE  78   6.103  -1.167   2.260
  574    HA   ILE  78           HA       ILE  78   8.442  -0.870   0.659
  575    HB   ILE  78           HB       ILE  78   6.687   1.354   1.735
  576   HG12  ILE  78          HG12      ILE  78   5.281  -0.375   0.646
  577   HG13  ILE  78          HG11      ILE  78   5.301   1.127  -0.264
  578   HG21  ILE  78          HG21      ILE  78   7.355   2.538  -0.304
  579   HG22  ILE  78          HG22      ILE  78   8.403   1.188  -0.751
  580   HG23  ILE  78          HG23      ILE  78   8.744   2.129   0.703
  581   HD11  ILE  78          HD11      ILE  78   5.415  -0.806  -1.724
  582   HD12  ILE  78          HD12      ILE  78   6.884  -1.347  -0.907
  583   HD13  ILE  78          HD13      ILE  78   6.889   0.155  -1.831
  584    H    ASN  79           HN       ASN  79   7.374   0.761   3.621
  585    HA   ASN  79           HA       ASN  79   9.641   2.267   4.218
  586    HB2  ASN  79           HB2      ASN  79   7.682   0.995   6.144
  587    HB3  ASN  79           HB1      ASN  79   8.861   2.212   6.591
  588   HD21  ASN  79          HD21      ASN  79   8.500   3.861   4.236
  589   HD22  ASN  79          HD22      ASN  79   6.917   4.561   4.400
  590    H    GLY  80           HN       GLY  80   8.779  -0.991   5.334
  591    HA2  GLY  80           HA2      GLY  80  11.009  -1.385   6.963
  592    HA3  GLY  80           HA1      GLY  80   9.949  -2.628   6.315
  593    H    ALA  81           HN       ALA  81  10.395  -2.318   3.579
  594    HA   ALA  81           HA       ALA  81  12.737  -3.823   3.274
  595    HB1  ALA  81           HB1      ALA  81  10.854  -3.938   1.695
  596    HB2  ALA  81           HB2      ALA  81  12.388  -3.635   0.874
  597    HB3  ALA  81           HB3      ALA  81  11.247  -2.316   1.125
  598    H    LEU  82           HN       LEU  82  12.110  -0.398   2.703
  599    HA   LEU  82           HA       LEU  82  14.659   0.213   1.657
  600    HB2  LEU  82           HB2      LEU  82  12.607   1.927   3.026
  601    HB3  LEU  82           HB1      LEU  82  14.106   2.575   2.395
  602    HG   LEU  82           HG       LEU  82  12.034   1.150   0.728
  603   HD11  LEU  82          HD11      LEU  82  11.181   3.263   1.601
  604   HD12  LEU  82          HD12      LEU  82  11.504   3.367  -0.130
  605   HD13  LEU  82          HD13      LEU  82  12.628   4.088   1.021
  606   HD21  LEU  82          HD21      LEU  82  14.487   2.736  -0.016
  607   HD22  LEU  82          HD22      LEU  82  13.316   2.054  -1.144
  608   HD23  LEU  82          HD23      LEU  82  14.305   0.988  -0.141
  609    H    ALA  83           HN       ALA  83  13.434   0.191   4.949
  610    HA   ALA  83           HA       ALA  83  15.807   1.272   6.089
  611    HB1  ALA  83           HB1      ALA  83  14.846   0.589   8.220
  612    HB2  ALA  83           HB2      ALA  83  13.629  -0.365   7.372
  613    HB3  ALA  83           HB3      ALA  83  13.641   1.392   7.215
  614    H    GLU  84           HN       GLU  84  14.687  -1.894   5.303
  615    HA   GLU  84           HA       GLU  84  16.660  -3.338   6.773
  616    HB2  GLU  84           HB2      GLU  84  14.471  -4.280   6.258
  617    HB3  GLU  84           HB1      GLU  84  14.815  -4.175   4.540
  618    HG2  GLU  84           HG2      GLU  84  16.550  -5.832   4.762
  619    HG3  GLU  84           HG1      GLU  84  16.309  -5.884   6.509
  620    H    ALA  85           HN       ALA  85  16.145  -2.840   3.258
  621    HA   ALA  85           HA       ALA  85  18.995  -2.828   2.855
  622    HB1  ALA  85           HB1      ALA  85  17.248  -4.912   1.547
  623    HB2  ALA  85           HB2      ALA  85  18.452  -5.214   2.800
  624    HB3  ALA  85           HB3      ALA  85  18.958  -4.626   1.217
  625    H    ALA  86           HN       ALA  86  19.019  -0.923   1.893
  626    HA   ALA  86           HA       ALA  86  17.499  -0.695  -0.580
  627    HB1  ALA  86           HB1      ALA  86  18.145   1.526   1.366
  628    HB2  ALA  86           HB2      ALA  86  16.545   0.848   1.073
  629    HB3  ALA  86           HB3      ALA  86  17.377   1.733  -0.208
  630   H282  PNS  87          H28A      PNS  87  -8.211 -12.674  -3.690
  631   H281  PNS  87          H28B      PNS  87  -9.272 -11.626  -2.750
  632   H303  PNS  87          H30A      PNS  87  -9.287  -9.229  -4.380
  633   H302  PNS  87          H30B      PNS  87 -10.694 -10.075  -3.723
  634   H301  PNS  87          H30C      PNS  87 -10.620  -9.693  -5.444
  635   H313  PNS  87          H31A      PNS  87  -9.004 -10.948  -6.942
  636   H312  PNS  87          H31B      PNS  87  -7.956 -12.163  -6.218
  637   H311  PNS  87          H31C      PNS  87  -7.690 -10.453  -5.873
  638    H32  PNS  87          H32A      PNS  87 -11.190 -12.407  -4.280
  639    H33  PNS  87          H33A      PNS  87  -9.339 -13.785  -5.926
  640    H36  PNS  87          H36A      PNS  87 -11.351 -14.122  -6.560
  641   H372  PNS  87          H37A      PNS  87 -13.471 -13.125  -7.954
  642   H371  PNS  87          H37B      PNS  87 -12.085 -12.640  -8.945
  643   H382  PNS  87          H38A      PNS  87 -12.676 -15.512  -8.091
  644   H381  PNS  87          H38B      PNS  87 -13.367 -14.780  -9.489
  645    H41  PNS  87          H41A      PNS  87 -10.631 -13.246  -9.695
  646   H422  PNS  87          H42A      PNS  87  -8.803 -15.258 -10.689
  647   H421  PNS  87          H42B      PNS  87  -9.547 -14.214 -11.893
  648   H431  PNS  87          H43A      PNS  87  -7.883 -13.305  -9.558
  649   H432  PNS  87          H43B      PNS  87  -8.780 -12.252 -10.638
  650    H44  PNS  87           H1       PNS  87  -7.390 -12.904 -12.906
  Start of MODEL    2
    1    H1   MET   1           HT1      MET   1  17.887   8.018   5.886
    2    H2   MET   1           HT2      MET   1  16.887   6.953   5.070
    3    H3   MET   1           HT3      MET   1  16.762   8.600   4.771
    4    HA   MET   1           HA       MET   1  18.871   8.649   3.732
    5    HB2  MET   1           HB2      MET   1  18.918   5.699   4.403
    6    HB3  MET   1           HB1      MET   1  20.020   6.456   3.259
    7    HG2  MET   1           HG2      MET   1  20.913   7.860   5.016
    8    HG3  MET   1           HG1      MET   1  19.768   7.174   6.167
    9    HE1  MET   1           HE1      MET   1  19.752   4.104   5.390
   10    HE2  MET   1           HE2      MET   1  19.871   4.665   7.059
   11    HE3  MET   1           HE3      MET   1  21.013   3.467   6.445
   12    H    ALA   2           HN       ALA   2  16.742   5.785   3.436
   13    HA   ALA   2           HA       ALA   2  16.548   6.264   0.584
   14    HB1  ALA   2           HB1      ALA   2  16.735   3.948   1.387
   15    HB2  ALA   2           HB2      ALA   2  15.172   4.209   0.609
   16    HB3  ALA   2           HB3      ALA   2  15.284   4.162   2.366
   17    H    THR   3           HN       THR   3  14.458   6.659  -0.386
   18    HA   THR   3           HA       THR   3  12.962   8.606   1.021
   19    HB   THR   3           HB       THR   3  11.548   8.460  -1.078
   20    HG1  THR   3           HG1      THR   3  12.273   6.187  -1.352
   21   HG21  THR   3          HG21      THR   3  14.539   8.776  -1.446
   22   HG22  THR   3          HG22      THR   3  13.434  10.036  -0.888
   23   HG23  THR   3          HG23      THR   3  13.298   9.408  -2.530
   24    H    LEU   4           HN       LEU   4  11.681   7.928   2.660
   25    HA   LEU   4           HA       LEU   4  10.096   5.506   2.291
   26    HB2  LEU   4           HB2      LEU   4  10.554   7.172   4.769
   27    HB3  LEU   4           HB1      LEU   4   9.590   5.714   4.701
   28    HG   LEU   4           HG       LEU   4  12.573   5.900   4.263
   29   HD11  LEU   4          HD11      LEU   4  10.957   4.673   6.480
   30   HD12  LEU   4          HD12      LEU   4  11.922   6.146   6.587
   31   HD13  LEU   4          HD13      LEU   4  12.711   4.592   6.314
   32   HD21  LEU   4          HD21      LEU   4  11.584   4.187   2.846
   33   HD22  LEU   4          HD22      LEU   4  10.759   3.497   4.244
   34   HD23  LEU   4          HD23      LEU   4  12.520   3.463   4.152
   35    H    LEU   5           HN       LEU   5   7.818   5.715   3.267
   36    HA   LEU   5           HA       LEU   5   6.712   8.287   2.467
   37    HB2  LEU   5           HB2      LEU   5   5.021   7.352   1.144
   38    HB3  LEU   5           HB1      LEU   5   6.485   6.557   0.638
   39    HG   LEU   5           HG       LEU   5   4.305   5.367   2.358
   40   HD11  LEU   5          HD11      LEU   5   5.040   4.854  -0.512
   41   HD12  LEU   5          HD12      LEU   5   3.594   5.676   0.078
   42   HD13  LEU   5          HD13      LEU   5   3.837   3.963   0.419
   43   HD21  LEU   5          HD21      LEU   5   6.391   4.328   2.959
   44   HD22  LEU   5          HD22      LEU   5   6.821   4.124   1.260
   45   HD23  LEU   5          HD23      LEU   5   5.473   3.217   1.946
   46    H    THR   6           HN       THR   6   4.683   8.778   3.380
   47    HA   THR   6           HA       THR   6   4.298   7.474   5.951
   48    HB   THR   6           HB       THR   6   3.011   9.515   6.559
   49    HG1  THR   6           HG1      THR   6   3.779  10.381   3.922
   50   HG21  THR   6          HG21      THR   6   5.409   9.420   7.081
   51   HG22  THR   6          HG22      THR   6   4.921  11.065   6.682
   52   HG23  THR   6          HG23      THR   6   5.787  10.090   5.494
   53    H    THR   7           HN       THR   7   1.722   8.143   6.508
   54    HA   THR   7           HA       THR   7   0.254   6.223   5.109
   55    HB   THR   7           HB       THR   7  -0.620   8.418   6.987
   56    HG1  THR   7           HG1      THR   7  -0.331   6.821   8.570
   57   HG21  THR   7          HG21      THR   7  -2.533   6.934   7.473
   58   HG22  THR   7          HG22      THR   7  -1.961   5.801   6.248
   59   HG23  THR   7          HG23      THR   7  -2.515   7.405   5.773
   60    H    ASP   8           HN       ASP   8   0.394   9.779   4.946
   61    HA   ASP   8           HA       ASP   8  -1.790  10.052   3.138
   62    HB2  ASP   8           HB2      ASP   8  -0.928  11.955   4.482
   63    HB3  ASP   8           HB1      ASP   8   0.534  11.952   3.496
   64    H    ASP   9           HN       ASP   9   1.582   9.415   2.693
   65    HA   ASP   9           HA       ASP   9   1.648   9.815  -0.132
   66    HB2  ASP   9           HB2      ASP   9   3.366   7.984   1.561
   67    HB3  ASP   9           HB1      ASP   9   3.636   8.336  -0.133
   68    H    LEU  10           HN       LEU  10   1.270   6.948   1.913
   69    HA   LEU  10           HA       LEU  10   0.790   5.066  -0.119
   70    HB2  LEU  10           HB2      LEU  10   1.221   4.443   2.214
   71    HB3  LEU  10           HB1      LEU  10  -0.324   5.126   2.693
   72    HG   LEU  10           HG       LEU  10  -1.436   3.424   1.224
   73   HD11  LEU  10          HD11      LEU  10   0.401   2.929  -0.254
   74   HD12  LEU  10          HD12      LEU  10  -0.159   1.462   0.548
   75   HD13  LEU  10          HD13      LEU  10   1.326   2.249   1.083
   76   HD21  LEU  10          HD21      LEU  10  -1.139   1.574   2.797
   77   HD22  LEU  10          HD22      LEU  10  -1.290   3.116   3.638
   78   HD23  LEU  10          HD23      LEU  10   0.294   2.363   3.448
   79    H    ARG  11           HN       ARG  11  -1.321   7.196   1.631
   80    HA   ARG  11           HA       ARG  11  -3.840   6.528   0.814
   81    HB2  ARG  11           HB2      ARG  11  -3.370   8.252   2.415
   82    HB3  ARG  11           HB1      ARG  11  -2.582   9.230   1.197
   83    HG2  ARG  11           HG2      ARG  11  -4.811   9.424   0.062
   84    HG3  ARG  11           HG1      ARG  11  -5.515   8.648   1.491
   85    HD2  ARG  11           HD2      ARG  11  -4.443  10.365   2.898
   86    HD3  ARG  11           HD1      ARG  11  -3.883  11.172   1.438
   87    HE   ARG  11           HE       ARG  11  -6.616  10.910   1.210
   88   HH11  ARG  11          HH11      ARG  11  -4.179  12.756   2.953
   89   HH12  ARG  11          HH12      ARG  11  -5.263  13.819   3.716
   90   HH21  ARG  11          HH21      ARG  11  -8.202  12.444   2.193
   91   HH22  ARG  11          HH22      ARG  11  -7.622  13.623   3.274
   92    H    ARG  12           HN       ARG  12  -1.723   8.936  -0.755
   93    HA   ARG  12           HA       ARG  12  -3.460   9.333  -2.959
   94    HB2  ARG  12           HB2      ARG  12  -0.499   9.937  -2.837
   95    HB3  ARG  12           HB1      ARG  12  -1.666  10.646  -3.944
   96    HG2  ARG  12           HG2      ARG  12  -2.832  11.663  -2.050
   97    HG3  ARG  12           HG1      ARG  12  -1.630  10.980  -0.957
   98    HD2  ARG  12           HD2      ARG  12   0.105  12.246  -2.289
   99    HD3  ARG  12           HD1      ARG  12  -1.238  13.081  -3.076
  100    HE   ARG  12           HE       ARG  12  -0.905  13.081  -0.150
  101   HH11  ARG  12          HH11      ARG  12  -1.322  14.973  -3.145
  102   HH12  ARG  12          HH12      ARG  12  -1.490  16.438  -2.318
  103   HH21  ARG  12          HH21      ARG  12  -1.123  14.977   0.913
  104   HH22  ARG  12          HH22      ARG  12  -1.433  16.469   0.128
  105    H    ALA  13           HN       ALA  13  -0.757   7.209  -2.410
  106    HA   ALA  13           HA       ALA  13  -0.441   6.295  -5.061
  107    HB1  ALA  13           HB1      ALA  13   0.202   4.881  -2.480
  108    HB2  ALA  13           HB2      ALA  13   1.260   6.012  -3.321
  109    HB3  ALA  13           HB3      ALA  13   0.832   4.476  -4.078
  110    H    LEU  14           HN       LEU  14  -2.486   5.201  -2.399
  111    HA   LEU  14           HA       LEU  14  -3.438   2.908  -3.855
  112    HB2  LEU  14           HB2      LEU  14  -3.240   3.022  -1.378
  113    HB3  LEU  14           HB1      LEU  14  -4.551   4.185  -1.353
  114    HG   LEU  14           HG       LEU  14  -6.014   2.423  -2.388
  115   HD11  LEU  14          HD11      LEU  14  -5.292   0.100  -2.218
  116   HD12  LEU  14          HD12      LEU  14  -3.686   0.637  -1.723
  117   HD13  LEU  14          HD13      LEU  14  -4.289   1.020  -3.335
  118   HD21  LEU  14          HD21      LEU  14  -6.334   1.191  -0.290
  119   HD22  LEU  14          HD22      LEU  14  -6.125   2.919  -0.017
  120   HD23  LEU  14          HD23      LEU  14  -4.788   1.812   0.301
  121    H    VAL  15           HN       VAL  15  -4.508   6.163  -3.192
  122    HA   VAL  15           HA       VAL  15  -7.113   6.182  -4.127
  123    HB   VAL  15           HB       VAL  15  -4.937   8.294  -4.074
  124   HG11  VAL  15          HG11      VAL  15  -6.284   8.847  -6.060
  125   HG12  VAL  15          HG12      VAL  15  -6.543  10.007  -4.756
  126   HG13  VAL  15          HG13      VAL  15  -7.750   8.763  -5.083
  127   HG21  VAL  15          HG21      VAL  15  -7.595   8.033  -2.690
  128   HG22  VAL  15          HG22      VAL  15  -6.430   9.333  -2.447
  129   HG23  VAL  15          HG23      VAL  15  -6.015   7.681  -1.992
  130    H    GLU  16           HN       GLU  16  -4.129   6.355  -5.937
  131    HA   GLU  16           HA       GLU  16  -5.136   7.102  -8.404
  132    HB2  GLU  16           HB2      GLU  16  -2.767   7.142  -7.812
  133    HB3  GLU  16           HB1      GLU  16  -2.722   5.386  -7.868
  134    HG2  GLU  16           HG2      GLU  16  -3.176   5.394 -10.220
  135    HG3  GLU  16           HG1      GLU  16  -3.432   7.138 -10.199
  136    H    SER  17           HN       SER  17  -5.261   3.881  -6.963
  137    HA   SER  17           HA       SER  17  -6.039   2.818  -9.527
  138    HB2  SER  17           HB2      SER  17  -6.199   0.621  -8.182
  139    HB3  SER  17           HB1      SER  17  -4.617   1.323  -8.479
  140    HG   SER  17           HG       SER  17  -6.148   1.531  -6.083
  141    H    ALA  18           HN       ALA  18  -7.606   4.437  -7.191
  142    HA   ALA  18           HA       ALA  18 -10.120   2.998  -7.657
  143    HB1  ALA  18           HB1      ALA  18  -9.484   5.223  -5.701
  144    HB2  ALA  18           HB2      ALA  18  -9.622   3.510  -5.299
  145    HB3  ALA  18           HB3      ALA  18 -11.039   4.405  -5.846
  146    H    GLY  19           HN       GLY  19  -8.667   6.228  -7.705
  147    HA2  GLY  19           HA2      GLY  19  -9.298   6.926 -10.238
  148    HA3  GLY  19           HA1      GLY  19 -10.719   7.372  -9.287
  149    H    GLU  20           HN       GLU  20  -9.030   9.216 -10.586
  150    HA   GLU  20           HA       GLU  20  -7.180  10.340  -8.761
  151    HB2  GLU  20           HB2      GLU  20  -8.695  11.753 -10.962
  152    HB3  GLU  20           HB1      GLU  20  -7.249  12.346 -10.159
  153    HG2  GLU  20           HG2      GLU  20  -6.019  10.386 -11.041
  154    HG3  GLU  20           HG1      GLU  20  -7.468   9.934 -11.937
  155    H    THR  21           HN       THR  21  -7.534  11.301  -6.957
  156    HA   THR  21           HA       THR  21  -8.423  12.395  -5.233
  157    HB   THR  21           HB       THR  21 -10.660  13.449  -7.017
  158    HG1  THR  21           HG1      THR  21  -9.241  14.574  -8.062
  159   HG21  THR  21          HG21      THR  21 -10.817  13.940  -4.596
  160   HG22  THR  21          HG22      THR  21 -10.533  15.407  -5.535
  161   HG23  THR  21          HG23      THR  21  -9.206  14.657  -4.647
  162    H    ASP  22           HN       ASP  22  -9.376   9.649  -6.192
  163    HA   ASP  22           HA       ASP  22 -11.737   9.599  -4.471
  164    HB2  ASP  22           HB2      ASP  22 -12.492   9.282  -6.780
  165    HB3  ASP  22           HB1      ASP  22 -11.364   7.942  -6.975
  166    H    GLY  23           HN       GLY  23 -11.822   8.066  -2.933
  167    HA2  GLY  23           HA2      GLY  23 -10.047   5.861  -2.998
  168    HA3  GLY  23           HA1      GLY  23  -9.702   7.081  -1.763
  169    H    THR  24           HN       THR  24 -10.885   4.340  -1.782
  170    HA   THR  24           HA       THR  24 -13.519   4.690  -0.769
  171    HB   THR  24           HB       THR  24 -11.793   2.230  -0.455
  172    HG1  THR  24           HG1      THR  24 -12.658   1.758  -2.658
  173   HG21  THR  24          HG21      THR  24 -14.002   2.288   0.622
  174   HG22  THR  24          HG22      THR  24 -13.985   1.123  -0.716
  175   HG23  THR  24          HG23      THR  24 -14.739   2.717  -0.920
  176    H    ASP  25           HN       ASP  25 -12.784   6.323   0.727
  177    HA   ASP  25           HA       ASP  25 -12.556   7.238   2.695
  178    HB2  ASP  25           HB2      ASP  25 -14.119   5.363   3.470
  179    HB3  ASP  25           HB1      ASP  25 -12.673   4.591   4.128
  180    H    LEU  26           HN       LEU  26 -10.549   7.580   1.758
  181    HA   LEU  26           HA       LEU  26  -8.393   6.637   3.505
  182    HB2  LEU  26           HB2      LEU  26  -8.303   7.512   0.606
  183    HB3  LEU  26           HB1      LEU  26  -6.878   7.537   1.609
  184    HG   LEU  26           HG       LEU  26  -7.019   5.073   1.855
  185   HD11  LEU  26          HD11      LEU  26  -9.272   5.255  -0.132
  186   HD12  LEU  26          HD12      LEU  26  -9.422   4.762   1.551
  187   HD13  LEU  26          HD13      LEU  26  -8.493   3.776   0.424
  188   HD21  LEU  26          HD21      LEU  26  -6.328   4.541  -0.397
  189   HD22  LEU  26          HD22      LEU  26  -5.674   6.101   0.110
  190   HD23  LEU  26          HD23      LEU  26  -7.053   6.037  -0.983
  191    H    SER  27           HN       SER  27  -9.054   8.167   4.995
  192    HA   SER  27           HA       SER  27  -8.303  10.917   4.319
  193    HB2  SER  27           HB2      SER  27 -10.762  10.134   5.894
  194    HB3  SER  27           HB1      SER  27 -10.288  11.763   5.401
  195    HG   SER  27           HG       SER  27 -10.431   9.982   3.339
  196    H    GLY  28           HN       GLY  28  -6.612  11.291   5.645
  197    HA2  GLY  28           HA2      GLY  28  -5.563  11.674   7.670
  198    HA3  GLY  28           HA1      GLY  28  -6.908  10.893   8.492
  199    H    ASP  29           HN       ASP  29  -6.996   8.573   8.479
  200    HA   ASP  29           HA       ASP  29  -4.562   7.167   7.743
  201    HB2  ASP  29           HB2      ASP  29  -4.349   7.945  10.178
  202    HB3  ASP  29           HB1      ASP  29  -5.716   6.898  10.539
  203    H    PHE  30           HN       PHE  30  -4.967   4.973   7.452
  204    HA   PHE  30           HA       PHE  30  -7.663   3.984   7.791
  205    HB2  PHE  30           HB2      PHE  30  -7.800   3.280   5.383
  206    HB3  PHE  30           HB1      PHE  30  -7.887   5.017   5.623
  207    HD1  PHE  30           HD1      PHE  30  -5.886   6.418   5.075
  208    HD2  PHE  30           HD2      PHE  30  -6.100   2.294   4.059
  209    HE1  PHE  30           HE1      PHE  30  -4.062   6.726   3.450
  210    HE2  PHE  30           HE2      PHE  30  -4.286   2.594   2.436
  211    HZ   PHE  30           HZ       PHE  30  -3.258   4.808   2.132
  212    H    LEU  31           HN       LEU  31  -4.750   3.503   8.599
  213    HA   LEU  31           HA       LEU  31  -3.925   1.072   7.351
  214    HB2  LEU  31           HB2      LEU  31  -2.939   2.733   9.613
  215    HB3  LEU  31           HB1      LEU  31  -2.399   1.076   9.510
  216    HG   LEU  31           HG       LEU  31  -1.330   1.480   7.386
  217   HD11  LEU  31          HD11      LEU  31  -2.411   4.278   7.526
  218   HD12  LEU  31          HD12      LEU  31  -2.918   3.014   6.402
  219   HD13  LEU  31          HD13      LEU  31  -1.270   3.648   6.336
  220   HD21  LEU  31          HD21      LEU  31   0.342   3.126   8.050
  221   HD22  LEU  31          HD22      LEU  31  -0.070   2.032   9.372
  222   HD23  LEU  31          HD23      LEU  31  -0.720   3.672   9.346
  223    H    ASP  32           HN       ASP  32  -6.013   1.816   9.924
  224    HA   ASP  32           HA       ASP  32  -5.815  -0.809  11.146
  225    HB2  ASP  32           HB2      ASP  32  -7.382   0.079  12.786
  226    HB3  ASP  32           HB1      ASP  32  -6.027   1.178  12.572
  227    H    LEU  33           HN       LEU  33  -7.313   0.429   8.516
  228    HA   LEU  33           HA       LEU  33  -9.806  -1.048   8.827
  229    HB2  LEU  33           HB2      LEU  33  -8.759   0.568   6.488
  230    HB3  LEU  33           HB1      LEU  33 -10.353  -0.143   6.596
  231    HG   LEU  33           HG       LEU  33  -9.296   2.104   8.320
  232   HD11  LEU  33          HD11      LEU  33 -11.353   2.077   6.118
  233   HD12  LEU  33          HD12      LEU  33  -9.745   2.788   6.035
  234   HD13  LEU  33          HD13      LEU  33 -10.952   3.460   7.134
  235   HD21  LEU  33          HD21      LEU  33 -12.028   0.817   8.242
  236   HD22  LEU  33          HD22      LEU  33 -11.592   2.249   9.174
  237   HD23  LEU  33          HD23      LEU  33 -10.860   0.687   9.557
  238    H    ARG  34           HN       ARG  34 -10.334  -2.359   6.690
  239    HA   ARG  34           HA       ARG  34  -7.906  -3.924   6.060
  240    HB2  ARG  34           HB2      ARG  34 -10.742  -4.935   5.978
  241    HB3  ARG  34           HB1      ARG  34  -9.279  -5.863   5.727
  242    HG2  ARG  34           HG2      ARG  34  -8.666  -5.462   8.062
  243    HG3  ARG  34           HG1      ARG  34 -10.227  -4.651   8.313
  244    HD2  ARG  34           HD2      ARG  34  -9.694  -7.517   7.575
  245    HD3  ARG  34           HD1      ARG  34 -10.525  -6.903   9.005
  246    HE   ARG  34           HE       ARG  34 -12.117  -5.977   7.140
  247   HH11  ARG  34          HH11      ARG  34 -10.663  -9.210   7.391
  248   HH12  ARG  34          HH12      ARG  34 -11.930  -9.981   6.549
  249   HH21  ARG  34          HH21      ARG  34 -13.788  -7.062   5.873
  250   HH22  ARG  34          HH22      ARG  34 -13.622  -8.759   5.570
  251    H    PHE  35           HN       PHE  35  -7.554  -4.448   3.960
  252    HA   PHE  35           HA       PHE  35  -8.672  -2.773   1.982
  253    HB2  PHE  35           HB2      PHE  35  -7.019  -5.275   1.726
  254    HB3  PHE  35           HB1      PHE  35  -7.537  -4.312   0.350
  255    HD1  PHE  35           HD2      PHE  35  -7.000  -1.682   0.727
  256    HD2  PHE  35           HD1      PHE  35  -4.887  -4.955   2.425
  257    HE1  PHE  35           HE2      PHE  35  -4.987  -0.282   0.921
  258    HE2  PHE  35           HE1      PHE  35  -2.879  -3.565   2.620
  259    HZ   PHE  35           HZ       PHE  35  -2.919  -1.234   1.863
  260    H    GLU  36           HN       GLU  36  -9.393  -5.987   3.085
  261    HA   GLU  36           HA       GLU  36 -10.965  -6.889   0.978
  262    HB2  GLU  36           HB2      GLU  36 -10.184  -8.313   2.847
  263    HB3  GLU  36           HB1      GLU  36 -11.319  -7.501   3.918
  264    HG2  GLU  36           HG2      GLU  36 -13.180  -8.319   2.549
  265    HG3  GLU  36           HG1      GLU  36 -12.036  -9.163   1.509
  266    H    ASP  37           HN       ASP  37 -11.786  -4.841   3.718
  267    HA   ASP  37           HA       ASP  37 -14.610  -4.925   3.238
  268    HB2  ASP  37           HB2      ASP  37 -13.025  -2.947   4.895
  269    HB3  ASP  37           HB1      ASP  37 -14.774  -3.069   4.858
  270    H    ILE  38           HN       ILE  38 -11.990  -2.766   2.372
  271    HA   ILE  38           HA       ILE  38 -13.863  -0.849   1.300
  272    HB   ILE  38           HB       ILE  38 -11.925   0.568   0.745
  273   HG12  ILE  38          HG12      ILE  38 -10.262  -1.651   1.983
  274   HG13  ILE  38          HG11      ILE  38 -10.296  -1.249   0.271
  275   HG21  ILE  38          HG21      ILE  38 -11.235   1.026   3.059
  276   HG22  ILE  38          HG22      ILE  38 -11.932  -0.518   3.553
  277   HG23  ILE  38          HG23      ILE  38 -12.973   0.756   2.919
  278   HD11  ILE  38          HD11      ILE  38  -9.351   0.951   0.780
  279   HD12  ILE  38          HD12      ILE  38  -8.314  -0.354   1.345
  280   HD13  ILE  38          HD13      ILE  38  -9.314   0.537   2.493
  281    H    GLY  39           HN       GLY  39 -13.432  -3.527   0.073
  282    HA2  GLY  39           HA2      GLY  39 -13.982  -4.250  -2.072
  283    HA3  GLY  39           HA1      GLY  39 -13.870  -2.588  -2.610
  284    H    TYR  40           HN       TYR  40 -11.009  -3.507  -1.030
  285    HA   TYR  40           HA       TYR  40  -9.715  -3.782  -3.596
  286    HB2  TYR  40           HB2      TYR  40  -8.988  -2.755  -0.947
  287    HB3  TYR  40           HB1      TYR  40  -7.724  -3.646  -1.778
  288    HD1  TYR  40           HD1      TYR  40  -9.965  -0.697  -1.972
  289    HD2  TYR  40           HD2      TYR  40  -6.629  -2.724  -3.652
  290    HE1  TYR  40           HE1      TYR  40  -9.444   1.291  -3.331
  291    HE2  TYR  40           HE2      TYR  40  -6.083  -0.782  -4.996
  292    HH   TYR  40           HH       TYR  40  -7.405   2.272  -4.456
  293    H    ASP  41           HN       ASP  41  -8.071  -5.411  -3.856
  294    HA   ASP  41           HA       ASP  41  -8.187  -7.605  -1.969
  295    HB2  ASP  41           HB2      ASP  41  -8.709  -9.279  -3.524
  296    HB3  ASP  41           HB1      ASP  41  -9.826  -7.993  -3.950
  297    H    SER  42           HN       SER  42  -6.594  -9.250  -2.664
  298    HA   SER  42           HA       SER  42  -4.046  -8.593  -2.352
  299    HB2  SER  42           HB2      SER  42  -4.792 -10.801  -4.203
  300    HB3  SER  42           HB1      SER  42  -3.650 -10.800  -2.846
  301    H    LEU  43           HN       LEU  43  -5.599  -8.974  -5.594
  302    HA   LEU  43           HA       LEU  43  -3.145  -8.612  -7.008
  303    HB2  LEU  43           HB2      LEU  43  -6.012  -8.733  -7.901
  304    HB3  LEU  43           HB1      LEU  43  -4.731  -8.341  -9.023
  305    HG   LEU  43           HG       LEU  43  -5.349 -10.654  -9.244
  306   HD11  LEU  43          HD11      LEU  43  -3.178 -11.720  -8.956
  307   HD12  LEU  43          HD12      LEU  43  -2.653 -10.365  -7.959
  308   HD13  LEU  43          HD13      LEU  43  -3.052 -10.109  -9.659
  309   HD21  LEU  43          HD21      LEU  43  -6.224 -11.101  -7.010
  310   HD22  LEU  43          HD22      LEU  43  -4.599 -10.982  -6.337
  311   HD23  LEU  43          HD23      LEU  43  -4.999 -12.292  -7.446
  312    H    ALA  44           HN       ALA  44  -5.773  -6.532  -6.133
  313    HA   ALA  44           HA       ALA  44  -4.949  -4.297  -7.683
  314    HB1  ALA  44           HB1      ALA  44  -6.503  -3.025  -6.269
  315    HB2  ALA  44           HB2      ALA  44  -6.630  -4.400  -5.173
  316    HB3  ALA  44           HB3      ALA  44  -7.236  -4.530  -6.826
  317    H    LEU  45           HN       LEU  45  -4.103  -5.605  -4.627
  318    HA   LEU  45           HA       LEU  45  -2.759  -3.295  -3.647
  319    HB2  LEU  45           HB2      LEU  45  -2.581  -6.159  -2.774
  320    HB3  LEU  45           HB1      LEU  45  -1.978  -4.770  -1.884
  321    HG   LEU  45           HG       LEU  45  -4.855  -5.243  -2.576
  322   HD11  LEU  45          HD11      LEU  45  -4.037  -6.853  -0.976
  323   HD12  LEU  45          HD12      LEU  45  -5.121  -5.691  -0.208
  324   HD13  LEU  45          HD13      LEU  45  -3.374  -5.553   0.014
  325   HD21  LEU  45          HD21      LEU  45  -5.247  -3.380  -1.039
  326   HD22  LEU  45          HD22      LEU  45  -4.278  -2.902  -2.439
  327   HD23  LEU  45          HD23      LEU  45  -3.500  -3.175  -0.879
  328    H    MET  46           HN       MET  46  -1.843  -6.319  -5.196
  329    HA   MET  46           HA       MET  46   0.942  -6.060  -5.169
  330    HB2  MET  46           HB2      MET  46  -0.895  -7.327  -7.211
  331    HB3  MET  46           HB1      MET  46   0.857  -7.441  -7.295
  332    HG2  MET  46           HG2      MET  46   0.952  -8.682  -5.255
  333    HG3  MET  46           HG1      MET  46  -0.741  -8.330  -4.933
  334    HE1  MET  46           HE1      MET  46   0.587  -9.249  -8.496
  335    HE2  MET  46           HE2      MET  46   0.493 -11.010  -8.487
  336    HE3  MET  46           HE3      MET  46   1.681 -10.184  -7.477
  337    H    GLU  47           HN       GLU  47  -1.433  -4.908  -7.453
  338    HA   GLU  47           HA       GLU  47   0.139  -3.561  -9.306
  339    HB2  GLU  47           HB2      GLU  47  -2.295  -3.954  -9.425
  340    HB3  GLU  47           HB1      GLU  47  -2.526  -2.779  -8.149
  341    HG2  GLU  47           HG2      GLU  47  -1.440  -1.090  -9.647
  342    HG3  GLU  47           HG1      GLU  47  -1.570  -2.285 -10.940
  343    H    THR  48           HN       THR  48  -1.409  -2.349  -6.366
  344    HA   THR  48           HA       THR  48  -0.501   0.268  -6.346
  345    HB   THR  48           HB       THR  48  -1.104  -1.528  -3.970
  346    HG1  THR  48           HG1      THR  48  -2.919  -1.444  -5.322
  347   HG21  THR  48          HG21      THR  48  -1.164   1.495  -4.222
  348   HG22  THR  48          HG22      THR  48   0.026   0.565  -3.308
  349   HG23  THR  48          HG23      THR  48  -1.665   0.573  -2.806
  350    H    ALA  49           HN       ALA  49   0.925  -2.587  -4.742
  351    HA   ALA  49           HA       ALA  49   3.144  -1.254  -3.665
  352    HB1  ALA  49           HB1      ALA  49   4.091  -3.468  -3.319
  353    HB2  ALA  49           HB2      ALA  49   2.900  -4.166  -4.413
  354    HB3  ALA  49           HB3      ALA  49   2.382  -3.452  -2.888
  355    H    ALA  50           HN       ALA  50   2.717  -2.980  -6.745
  356    HA   ALA  50           HA       ALA  50   5.357  -2.928  -7.613
  357    HB1  ALA  50           HB1      ALA  50   4.487  -3.331  -9.837
  358    HB2  ALA  50           HB2      ALA  50   2.880  -2.812  -9.320
  359    HB3  ALA  50           HB3      ALA  50   3.593  -4.275  -8.644
  360    H    ARG  51           HN       ARG  51   2.816  -0.504  -8.129
  361    HA   ARG  51           HA       ARG  51   4.538   1.111  -9.711
  362    HB2  ARG  51           HB2      ARG  51   2.877   2.927  -9.479
  363    HB3  ARG  51           HB1      ARG  51   2.160   1.411  -9.987
  364    HG2  ARG  51           HG2      ARG  51   1.399   1.047  -7.676
  365    HG3  ARG  51           HG1      ARG  51   2.056   2.632  -7.248
  366    HD2  ARG  51           HD2      ARG  51   0.586   3.715  -8.804
  367    HD3  ARG  51           HD1      ARG  51   0.007   2.160  -9.399
  368    HE   ARG  51           HE       ARG  51  -0.488   3.242  -6.719
  369   HH11  ARG  51          HH11      ARG  51  -1.539   1.468  -9.550
  370   HH12  ARG  51          HH12      ARG  51  -2.957   0.812  -8.894
  371   HH21  ARG  51          HH21      ARG  51  -2.448   2.542  -5.767
  372   HH22  ARG  51          HH22      ARG  51  -3.542   1.524  -6.582
  373    H    LEU  52           HN       LEU  52   4.147   0.737  -6.350
  374    HA   LEU  52           HA       LEU  52   5.553   3.142  -5.658
  375    HB2  LEU  52           HB2      LEU  52   4.870   0.701  -4.020
  376    HB3  LEU  52           HB1      LEU  52   5.675   2.118  -3.380
  377    HG   LEU  52           HG       LEU  52   2.888   2.060  -4.530
  378   HD11  LEU  52          HD11      LEU  52   3.030   0.928  -2.380
  379   HD12  LEU  52          HD12      LEU  52   2.181   2.464  -2.224
  380   HD13  LEU  52          HD13      LEU  52   3.857   2.322  -1.686
  381   HD21  LEU  52          HD21      LEU  52   3.997   4.191  -4.920
  382   HD22  LEU  52          HD22      LEU  52   4.440   4.286  -3.216
  383   HD23  LEU  52          HD23      LEU  52   2.743   4.356  -3.691
  384    H    GLU  53           HN       GLU  53   6.313  -0.247  -6.164
  385    HA   GLU  53           HA       GLU  53   8.991  -0.267  -5.395
  386    HB2  GLU  53           HB2      GLU  53   7.706  -1.713  -7.727
  387    HB3  GLU  53           HB1      GLU  53   9.297  -2.069  -7.083
  388    HG2  GLU  53           HG2      GLU  53   8.259  -2.715  -4.950
  389    HG3  GLU  53           HG1      GLU  53   6.672  -2.400  -5.651
  390    H    SER  54           HN       SER  54   7.534   0.463  -8.525
  391    HA   SER  54           HA       SER  54   9.864   1.161  -9.880
  392    HB2  SER  54           HB2      SER  54   7.060   2.167 -10.364
  393    HB3  SER  54           HB1      SER  54   8.380   2.107 -11.535
  394    HG   SER  54           HG       SER  54   8.370  -0.254 -10.924
  395    H    ARG  55           HN       ARG  55   7.925   3.015  -7.631
  396    HA   ARG  55           HA       ARG  55   9.058   5.507  -8.595
  397    HB2  ARG  55           HB2      ARG  55   6.628   5.325  -7.926
  398    HB3  ARG  55           HB1      ARG  55   7.170   5.178  -6.257
  399    HG2  ARG  55           HG2      ARG  55   8.136   7.371  -6.312
  400    HG3  ARG  55           HG1      ARG  55   7.822   7.514  -8.039
  401    HD2  ARG  55           HD2      ARG  55   6.135   8.780  -7.024
  402    HD3  ARG  55           HD1      ARG  55   5.359   7.262  -7.445
  403    HE   ARG  55           HE       ARG  55   6.394   7.414  -4.762
  404   HH11  ARG  55          HH11      ARG  55   3.530   7.709  -6.834
  405   HH12  ARG  55          HH12      ARG  55   2.445   7.998  -5.548
  406   HH21  ARG  55          HH21      ARG  55   4.844   7.762  -2.949
  407   HH22  ARG  55          HH22      ARG  55   3.199   8.044  -3.342
  408    H    TYR  56           HN       TYR  56   9.198   3.525  -5.671
  409    HA   TYR  56           HA       TYR  56  11.040   5.444  -4.473
  410    HB2  TYR  56           HB2      TYR  56   9.636   3.046  -3.320
  411    HB3  TYR  56           HB1      TYR  56  10.824   3.998  -2.434
  412    HD1  TYR  56           HD2      TYR  56   7.478   4.007  -3.932
  413    HD2  TYR  56           HD1      TYR  56  10.263   6.178  -1.581
  414    HE1  TYR  56           HE2      TYR  56   5.693   5.544  -3.261
  415    HE2  TYR  56           HE1      TYR  56   8.488   7.725  -0.900
  416    HH   TYR  56           HH       TYR  56   5.139   7.138  -1.778
  417    H    GLY  57           HN       GLY  57  11.195   2.405  -6.070
  418    HA2  GLY  57           HA2      GLY  57  13.122   1.273  -6.688
  419    HA3  GLY  57           HA1      GLY  57  14.055   2.356  -5.654
  420    H    VAL  58           HN       VAL  58  11.601  -0.166  -5.413
  421    HA   VAL  58           HA       VAL  58  13.083  -1.402  -3.252
  422    HB   VAL  58           HB       VAL  58  11.387   0.146  -2.220
  423   HG11  VAL  58          HG11      VAL  58   9.336  -1.567  -3.563
  424   HG12  VAL  58          HG12      VAL  58   9.681   0.137  -3.867
  425   HG13  VAL  58          HG13      VAL  58   9.003  -0.363  -2.317
  426   HG21  VAL  58          HG21      VAL  58  12.055  -1.807  -0.936
  427   HG22  VAL  58          HG22      VAL  58  10.796  -2.770  -1.712
  428   HG23  VAL  58          HG23      VAL  58  10.357  -1.434  -0.650
  429    H    SER  59           HN       SER  59  12.054  -3.703  -2.864
  430    HA   SER  59           HA       SER  59  10.765  -4.636  -5.312
  431    HB2  SER  59           HB2      SER  59  13.047  -6.013  -3.868
  432    HB3  SER  59           HB1      SER  59  12.234  -6.579  -5.332
  433    HG   SER  59           HG       SER  59  12.903  -4.205  -5.929
  434    H    ILE  60           HN       ILE  60   8.913  -5.572  -4.809
  435    HA   ILE  60           HA       ILE  60   8.682  -7.010  -2.258
  436    HB   ILE  60           HB       ILE  60   6.547  -5.263  -3.534
  437   HG12  ILE  60          HG12      ILE  60   8.042  -4.943  -0.918
  438   HG13  ILE  60          HG11      ILE  60   8.291  -3.973  -2.369
  439   HG21  ILE  60          HG21      ILE  60   5.563  -7.250  -2.514
  440   HG22  ILE  60          HG22      ILE  60   5.177  -5.814  -1.561
  441   HG23  ILE  60          HG23      ILE  60   6.427  -6.926  -1.010
  442   HD11  ILE  60          HD11      ILE  60   6.958  -2.792  -0.726
  443   HD12  ILE  60          HD12      ILE  60   5.773  -4.101  -0.736
  444   HD13  ILE  60          HD13      ILE  60   6.015  -3.119  -2.179
  445    HA   PRO  61           HA       PRO  61   7.718 -10.270  -5.196
  446    HB2  PRO  61           HB2      PRO  61   6.997 -11.652  -2.674
  447    HB3  PRO  61           HB1      PRO  61   8.095 -12.163  -3.964
  448    HG2  PRO  61           HG2      PRO  61   9.044 -11.306  -1.623
  449    HG3  PRO  61           HG1      PRO  61   9.855 -10.906  -3.148
  450    HD2  PRO  61           HD2      PRO  61   8.097  -9.213  -1.434
  451    HD3  PRO  61           HD1      PRO  61   9.568  -8.773  -2.330
  452    H    ASP  62           HN       ASP  62   5.880 -11.347  -5.864
  453    HA   ASP  62           HA       ASP  62   3.471  -9.916  -5.806
  454    HB2  ASP  62           HB2      ASP  62   3.827 -12.827  -6.539
  455    HB3  ASP  62           HB1      ASP  62   2.524 -11.759  -7.046
  456    H    ASP  63           HN       ASP  63   4.390 -12.942  -4.306
  457    HA   ASP  63           HA       ASP  63   1.984 -13.638  -3.058
  458    HB2  ASP  63           HB2      ASP  63   4.821 -14.295  -2.249
  459    HB3  ASP  63           HB1      ASP  63   3.386 -15.090  -1.613
  460    H    VAL  64           HN       VAL  64   4.294 -11.297  -2.219
  461    HA   VAL  64           HA       VAL  64   3.590 -11.139   0.599
  462    HB   VAL  64           HB       VAL  64   5.324  -9.375  -1.123
  463   HG11  VAL  64          HG11      VAL  64   6.263  -8.556   1.033
  464   HG12  VAL  64          HG12      VAL  64   5.094  -9.547   1.900
  465   HG13  VAL  64          HG13      VAL  64   4.539  -8.205   0.899
  466   HG21  VAL  64          HG21      VAL  64   6.194 -11.629  -0.994
  467   HG22  VAL  64          HG22      VAL  64   6.080 -11.601   0.766
  468   HG23  VAL  64          HG23      VAL  64   7.220 -10.539  -0.064
  469    H    ALA  65           HN       ALA  65   3.538  -8.961  -2.208
  470    HA   ALA  65           HA       ALA  65   2.005  -6.892  -1.081
  471    HB1  ALA  65           HB1      ALA  65   1.654  -6.138  -3.363
  472    HB2  ALA  65           HB2      ALA  65   2.176  -7.706  -3.979
  473    HB3  ALA  65           HB3      ALA  65   3.325  -6.664  -3.143
  474    H    GLY  66           HN       GLY  66   1.009  -9.834  -2.734
  475    HA2  GLY  66           HA2      GLY  66  -1.778  -9.043  -2.476
  476    HA3  GLY  66           HA1      GLY  66  -1.163 -10.444  -3.338
  477    H    ARG  67           HN       ARG  67  -0.353  -9.486  -0.076
  478    HA   ARG  67           HA       ARG  67  -2.030 -11.631   1.047
  479    HB2  ARG  67           HB2      ARG  67   0.245 -12.527   0.611
  480    HB3  ARG  67           HB1      ARG  67   0.918 -11.258   1.610
  481    HG2  ARG  67           HG2      ARG  67  -0.302 -12.206   3.551
  482    HG3  ARG  67           HG1      ARG  67  -0.839 -13.532   2.514
  483    HD2  ARG  67           HD2      ARG  67   1.133 -14.154   3.806
  484    HD3  ARG  67           HD1      ARG  67   1.470 -14.141   2.074
  485    HE   ARG  67           HE       ARG  67   2.122 -11.719   3.573
  486   HH11  ARG  67          HH11      ARG  67   3.325 -14.700   2.149
  487   HH12  ARG  67          HH12      ARG  67   4.923 -14.158   1.987
  488   HH21  ARG  67          HH21      ARG  67   4.266 -10.995   3.453
  489   HH22  ARG  67          HH22      ARG  67   5.498 -12.017   2.808
  490    H    VAL  68           HN       VAL  68  -1.293  -8.480   1.044
  491    HA   VAL  68           HA       VAL  68  -1.249  -8.164   3.927
  492    HB   VAL  68           HB       VAL  68  -0.855  -5.740   3.490
  493   HG11  VAL  68          HG11      VAL  68   1.017  -7.232   3.796
  494   HG12  VAL  68          HG12      VAL  68   1.425  -5.980   2.620
  495   HG13  VAL  68          HG13      VAL  68   1.028  -7.613   2.075
  496   HG21  VAL  68          HG21      VAL  68  -1.964  -5.516   1.304
  497   HG22  VAL  68          HG22      VAL  68  -0.732  -6.555   0.579
  498   HG23  VAL  68          HG23      VAL  68  -0.285  -4.977   1.221
  499    H    ASP  69           HN       ASP  69  -2.987  -7.800   5.038
  500    HA   ASP  69           HA       ASP  69  -5.470  -7.353   3.539
  501    HB2  ASP  69           HB2      ASP  69  -5.428  -9.297   5.055
  502    HB3  ASP  69           HB1      ASP  69  -5.065  -8.233   6.399
  503    H    THR  70           HN       THR  70  -3.387  -5.937   5.887
  504    HA   THR  70           HA       THR  70  -5.282  -3.721   6.136
  505    HB   THR  70           HB       THR  70  -4.057  -3.127   8.241
  506    HG1  THR  70           HG1      THR  70  -2.629  -5.507   7.568
  507   HG21  THR  70          HG21      THR  70  -4.992  -4.968   9.603
  508   HG22  THR  70          HG22      THR  70  -5.211  -5.920   8.127
  509   HG23  THR  70          HG23      THR  70  -6.118  -4.429   8.356
  510    HA   PRO  71           HA       PRO  71  -2.589  -1.158   3.739
  511    HB2  PRO  71           HB2      PRO  71  -3.445   0.977   5.630
  512    HB3  PRO  71           HB1      PRO  71  -3.507   0.949   3.859
  513    HG2  PRO  71           HG2      PRO  71  -5.730   0.609   5.218
  514    HG3  PRO  71           HG1      PRO  71  -5.387  -0.438   3.822
  515    HD2  PRO  71           HD2      PRO  71  -5.074  -1.028   6.744
  516    HD3  PRO  71           HD1      PRO  71  -5.779  -2.039   5.458
  517    H    ARG  72           HN       ARG  72  -2.397  -1.243   7.185
  518    HA   ARG  72           HA       ARG  72  -0.097   0.239   7.666
  519    HB2  ARG  72           HB2      ARG  72  -1.543  -0.627   9.443
  520    HB3  ARG  72           HB1      ARG  72  -1.050  -2.270   9.055
  521    HG2  ARG  72           HG2      ARG  72   1.253  -1.715   9.720
  522    HG3  ARG  72           HG1      ARG  72   0.717  -0.086  10.144
  523    HD2  ARG  72           HD2      ARG  72  -0.303  -2.649  11.355
  524    HD3  ARG  72           HD1      ARG  72   0.862  -1.555  12.102
  525    HE   ARG  72           HE       ARG  72  -0.920   0.148  12.023
  526   HH11  ARG  72          HH11      ARG  72  -1.834  -3.312  12.031
  527   HH12  ARG  72          HH12      ARG  72  -3.305  -3.068  12.839
  528   HH21  ARG  72          HH21      ARG  72  -2.999   0.455  13.148
  529   HH22  ARG  72          HH22      ARG  72  -3.984  -0.893  13.487
  530    H    GLU  73           HN       GLU  73  -0.550  -3.147   6.783
  531    HA   GLU  73           HA       GLU  73   2.131  -3.974   6.916
  532    HB2  GLU  73           HB2      GLU  73  -0.126  -5.037   5.230
  533    HB3  GLU  73           HB1      GLU  73   1.385  -5.867   5.568
  534    HG2  GLU  73           HG2      GLU  73   0.833  -6.026   7.889
  535    HG3  GLU  73           HG1      GLU  73  -0.620  -5.054   7.643
  536    H    LEU  74           HN       LEU  74   0.121  -2.833   4.238
  537    HA   LEU  74           HA       LEU  74   1.987  -3.221   2.160
  538    HB2  LEU  74           HB2      LEU  74  -0.584  -2.593   2.125
  539    HB3  LEU  74           HB1      LEU  74   0.009  -0.951   2.120
  540    HG   LEU  74           HG       LEU  74   0.535  -3.031  -0.018
  541   HD11  LEU  74          HD11      LEU  74  -0.900  -1.671  -1.429
  542   HD12  LEU  74          HD12      LEU  74  -1.253  -0.626  -0.052
  543   HD13  LEU  74          HD13      LEU  74  -1.750  -2.320  -0.026
  544   HD21  LEU  74          HD21      LEU  74   1.258  -0.094   0.007
  545   HD22  LEU  74          HD22      LEU  74   1.463  -1.191  -1.357
  546   HD23  LEU  74          HD23      LEU  74   2.399  -1.435   0.119
  547    H    LEU  75           HN       LEU  75   1.304  -0.416   4.200
  548    HA   LEU  75           HA       LEU  75   3.180   1.374   3.107
  549    HB2  LEU  75           HB2      LEU  75   1.321   1.976   4.630
  550    HB3  LEU  75           HB1      LEU  75   2.143   1.152   5.930
  551    HG   LEU  75           HG       LEU  75   3.990   2.794   5.784
  552   HD11  LEU  75          HD11      LEU  75   2.190   4.142   3.797
  553   HD12  LEU  75          HD12      LEU  75   3.741   3.380   3.440
  554   HD13  LEU  75          HD13      LEU  75   3.674   4.808   4.473
  555   HD21  LEU  75          HD21      LEU  75   1.242   3.978   6.114
  556   HD22  LEU  75          HD22      LEU  75   2.748   4.658   6.733
  557   HD23  LEU  75          HD23      LEU  75   2.157   3.113   7.349
  558    H    ASP  76           HN       ASP  76   3.327  -0.907   5.788
  559    HA   ASP  76           HA       ASP  76   5.915  -0.289   6.670
  560    HB2  ASP  76           HB2      ASP  76   4.254  -1.406   8.080
  561    HB3  ASP  76           HB1      ASP  76   4.333  -2.831   7.050
  562    H    LEU  77           HN       LEU  77   4.748  -2.509   4.234
  563    HA   LEU  77           HA       LEU  77   7.050  -4.037   3.835
  564    HB2  LEU  77           HB2      LEU  77   5.058  -3.067   1.786
  565    HB3  LEU  77           HB1      LEU  77   6.279  -4.272   1.458
  566    HG   LEU  77           HG       LEU  77   3.974  -4.536   3.370
  567   HD11  LEU  77          HD11      LEU  77   4.556  -5.853   0.729
  568   HD12  LEU  77          HD12      LEU  77   3.319  -4.632   1.039
  569   HD13  LEU  77          HD13      LEU  77   3.193  -6.223   1.787
  570   HD21  LEU  77          HD21      LEU  77   4.713  -6.859   3.636
  571   HD22  LEU  77          HD22      LEU  77   5.943  -5.725   4.196
  572   HD23  LEU  77          HD23      LEU  77   6.128  -6.519   2.635
  573    H    ILE  78           HN       ILE  78   6.098  -1.016   2.267
  574    HA   ILE  78           HA       ILE  78   8.453  -0.666   0.728
  575    HB   ILE  78           HB       ILE  78   6.681   1.530   1.846
  576   HG12  ILE  78          HG12      ILE  78   5.334  -0.182   0.623
  577   HG13  ILE  78          HG11      ILE  78   5.325   1.388  -0.166
  578   HG21  ILE  78          HG21      ILE  78   8.773   2.334   0.897
  579   HG22  ILE  78          HG22      ILE  78   7.413   2.802  -0.122
  580   HG23  ILE  78          HG23      ILE  78   8.452   1.460  -0.604
  581   HD11  ILE  78          HD11      ILE  78   6.965  -1.001  -0.979
  582   HD12  ILE  78          HD12      ILE  78   6.971   0.571  -1.780
  583   HD13  ILE  78          HD13      ILE  78   5.507  -0.412  -1.776
  584    H    ASN  79           HN       ASN  79   7.378   0.851   3.750
  585    HA   ASN  79           HA       ASN  79   9.614   2.374   4.423
  586    HB2  ASN  79           HB2      ASN  79   7.688   0.937   6.265
  587    HB3  ASN  79           HB1      ASN  79   8.894   2.072   6.828
  588   HD21  ASN  79          HD21      ASN  79   8.521   3.959   4.653
  589   HD22  ASN  79          HD22      ASN  79   6.958   4.680   4.967
  590    H    GLY  80           HN       GLY  80   8.889  -0.924   5.505
  591    HA2  GLY  80           HA2      GLY  80  11.160  -1.251   7.075
  592    HA3  GLY  80           HA1      GLY  80  10.162  -2.533   6.414
  593    H    ALA  81           HN       ALA  81  10.528  -2.420   3.759
  594    HA   ALA  81           HA       ALA  81  12.990  -3.714   3.491
  595    HB1  ALA  81           HB1      ALA  81  11.055  -4.198   2.074
  596    HB2  ALA  81           HB2      ALA  81  12.497  -3.849   1.120
  597    HB3  ALA  81           HB3      ALA  81  11.236  -2.626   1.298
  598    H    LEU  82           HN       LEU  82  12.047  -0.424   2.745
  599    HA   LEU  82           HA       LEU  82  14.538   0.177   1.492
  600    HB2  LEU  82           HB2      LEU  82  12.307   1.934   2.474
  601    HB3  LEU  82           HB1      LEU  82  13.752   2.559   1.701
  602    HG   LEU  82           HG       LEU  82  11.789   0.655   0.424
  603   HD11  LEU  82          HD11      LEU  82  10.844   2.872   0.755
  604   HD12  LEU  82          HD12      LEU  82  11.168   2.570  -0.950
  605   HD13  LEU  82          HD13      LEU  82  12.256   3.595  -0.012
  606   HD21  LEU  82          HD21      LEU  82  13.035   1.119  -1.619
  607   HD22  LEU  82          HD22      LEU  82  14.066   0.374  -0.396
  608   HD23  LEU  82          HD23      LEU  82  14.173   2.108  -0.703
  609    H    ALA  83           HN       ALA  83  13.311   0.427   4.751
  610    HA   ALA  83           HA       ALA  83  15.501   2.046   5.652
  611    HB1  ALA  83           HB1      ALA  83  13.299   2.166   6.727
  612    HB2  ALA  83           HB2      ALA  83  14.574   1.749   7.877
  613    HB3  ALA  83           HB3      ALA  83  13.486   0.500   7.273
  614    H    GLU  84           HN       GLU  84  14.922  -1.335   5.301
  615    HA   GLU  84           HA       GLU  84  17.174  -2.020   7.008
  616    HB2  GLU  84           HB2      GLU  84  16.609  -4.358   6.542
  617    HB3  GLU  84           HB1      GLU  84  15.181  -3.473   7.054
  618    HG2  GLU  84           HG2      GLU  84  14.518  -3.259   4.688
  619    HG3  GLU  84           HG1      GLU  84  15.903  -4.248   4.242
  620    H    ALA  85           HN       ALA  85  16.539  -1.348   3.725
  621    HA   ALA  85           HA       ALA  85  18.800  -2.774   2.691
  622    HB1  ALA  85           HB1      ALA  85  18.273  -1.707   0.558
  623    HB2  ALA  85           HB2      ALA  85  17.102  -0.660   1.360
  624    HB3  ALA  85           HB3      ALA  85  16.822  -2.401   1.284
  625    H    ALA  86           HN       ALA  86  20.301  -1.907   4.143
  626    HA   ALA  86           HA       ALA  86  21.631   0.429   3.102
  627    HB1  ALA  86           HB1      ALA  86  20.231   1.352   4.895
  628    HB2  ALA  86           HB2      ALA  86  21.932   1.388   5.353
  629    HB3  ALA  86           HB3      ALA  86  20.867   0.151   6.019
  630   H282  PNS  87          H28A      PNS  87  -7.914 -12.254  -1.708
  631   H281  PNS  87          H28B      PNS  87  -6.867 -13.576  -1.196
  632   H303  PNS  87          H30A      PNS  87  -8.636 -14.378   1.899
  633   H302  PNS  87          H30B      PNS  87  -7.213 -13.345   1.740
  634   H301  PNS  87          H30C      PNS  87  -7.328 -14.835   0.808
  635   H313  PNS  87          H31A      PNS  87 -10.133 -12.455   1.315
  636   H312  PNS  87          H31B      PNS  87  -9.815 -11.522  -0.147
  637   H311  PNS  87          H31C      PNS  87  -8.699 -11.431   1.217
  638    H32  PNS  87          H32A      PNS  87  -9.984 -13.678  -1.525
  639    H33  PNS  87          H33A      PNS  87 -11.443 -14.441  -0.274
  640    H36  PNS  87          H36A      PNS  87 -10.013 -16.467  -0.022
  641   H372  PNS  87          H37A      PNS  87  -9.431 -18.365  -1.731
  642   H371  PNS  87          H37B      PNS  87  -7.795 -17.784  -1.448
  643   H382  PNS  87          H38A      PNS  87  -8.037 -18.270   0.943
  644   H381  PNS  87          H38B      PNS  87  -9.630 -18.972   0.622
  645    H41  PNS  87          H41A      PNS  87  -8.138 -20.593   1.830
  646   H422  PNS  87          H42A      PNS  87  -7.827 -22.841   0.277
  647   H421  PNS  87          H42B      PNS  87  -6.217 -22.126   0.467
  648   H431  PNS  87          H43A      PNS  87  -6.446 -22.228   2.860
  649   H432  PNS  87          H43B      PNS  87  -6.762 -23.836   2.188
  650    H44  PNS  87           H1       PNS  87  -9.537 -23.524   2.350
  Start of MODEL    3
    1    H1   MET   1           HT1      MET   1  20.218   6.251   2.567
    2    H2   MET   1           HT2      MET   1  19.201   5.028   3.059
    3    H3   MET   1           HT3      MET   1  20.319   5.669   4.171
    4    HA   MET   1           HA       MET   1  18.145   6.487   4.643
    5    HB2  MET   1           HB2      MET   1  19.679   8.617   3.121
    6    HB3  MET   1           HB1      MET   1  18.427   8.913   4.317
    7    HG2  MET   1           HG2      MET   1  21.101   7.641   4.832
    8    HG3  MET   1           HG1      MET   1  20.645   9.297   5.223
    9    HE1  MET   1           HE1      MET   1  21.936   7.215   7.264
   10    HE2  MET   1           HE2      MET   1  20.982   7.533   8.712
   11    HE3  MET   1           HE3      MET   1  21.523   8.873   7.702
   12    H    ALA   2           HN       ALA   2  16.390   5.781   3.649
   13    HA   ALA   2           HA       ALA   2  15.872   6.710   0.913
   14    HB1  ALA   2           HB1      ALA   2  14.324   4.830   0.738
   15    HB2  ALA   2           HB2      ALA   2  14.693   4.363   2.398
   16    HB3  ALA   2           HB3      ALA   2  15.944   4.274   1.160
   17    H    THR   3           HN       THR   3  13.930   7.649   0.460
   18    HA   THR   3           HA       THR   3  12.644   8.941   2.670
   19    HB   THR   3           HB       THR   3  13.081  10.253   0.678
   20    HG1  THR   3           HG1      THR   3  10.494  10.422   0.164
   21   HG21  THR   3          HG21      THR   3  13.020   8.526  -1.048
   22   HG22  THR   3          HG22      THR   3  11.955   9.861  -1.486
   23   HG23  THR   3          HG23      THR   3  11.275   8.362  -0.848
   24    H    LEU   4           HN       LEU   4  11.226   7.853   3.836
   25    HA   LEU   4           HA       LEU   4   9.853   5.583   2.757
   26    HB2  LEU   4           HB2      LEU   4   9.669   6.855   5.480
   27    HB3  LEU   4           HB1      LEU   4   8.898   5.349   5.024
   28    HG   LEU   4           HG       LEU   4  11.869   5.865   5.178
   29   HD11  LEU   4          HD11      LEU   4  10.806   5.659   7.345
   30   HD12  LEU   4          HD12      LEU   4  11.805   4.248   7.000
   31   HD13  LEU   4          HD13      LEU   4  10.048   4.149   6.840
   32   HD21  LEU   4          HD21      LEU   4  12.120   3.483   4.697
   33   HD22  LEU   4          HD22      LEU   4  11.345   4.324   3.354
   34   HD23  LEU   4          HD23      LEU   4  10.380   3.346   4.460
   35    H    LEU   5           HN       LEU   5   7.496   5.287   3.281
   36    HA   LEU   5           HA       LEU   5   6.019   7.373   1.924
   37    HB2  LEU   5           HB2      LEU   5   5.045   4.781   3.098
   38    HB3  LEU   5           HB1      LEU   5   4.168   5.834   2.019
   39    HG   LEU   5           HG       LEU   5   6.585   4.181   1.328
   40   HD11  LEU   5          HD11      LEU   5   3.678   3.960   0.561
   41   HD12  LEU   5          HD12      LEU   5   4.541   2.900   1.675
   42   HD13  LEU   5          HD13      LEU   5   4.989   2.937  -0.030
   43   HD21  LEU   5          HD21      LEU   5   4.854   5.923  -0.409
   44   HD22  LEU   5          HD22      LEU   5   6.182   4.898  -0.949
   45   HD23  LEU   5          HD23      LEU   5   6.504   6.291   0.086
   46    H    THR   6           HN       THR   6   4.547   8.702   2.906
   47    HA   THR   6           HA       THR   6   4.137   8.327   5.742
   48    HB   THR   6           HB       THR   6   2.968  10.512   5.641
   49    HG1  THR   6           HG1      THR   6   3.646  10.497   2.853
   50   HG21  THR   6          HG21      THR   6   5.391  10.533   5.997
   51   HG22  THR   6          HG22      THR   6   4.886  11.941   5.060
   52   HG23  THR   6          HG23      THR   6   5.654  10.575   4.251
   53    H    THR   7           HN       THR   7   1.492   9.166   6.008
   54    HA   THR   7           HA       THR   7   0.086   6.834   5.211
   55    HB   THR   7           HB       THR   7  -0.962   9.467   6.295
   56    HG1  THR   7           HG1      THR   7  -0.669   8.483   8.329
   57   HG21  THR   7          HG21      THR   7  -2.708   7.970   5.395
   58   HG22  THR   7          HG22      THR   7  -2.809   8.104   7.150
   59   HG23  THR   7          HG23      THR   7  -2.103   6.666   6.417
   60    H    ASP   8           HN       ASP   8   0.033  10.230   4.063
   61    HA   ASP   8           HA       ASP   8  -2.003   9.725   2.166
   62    HB2  ASP   8           HB2      ASP   8  -1.614  11.979   3.046
   63    HB3  ASP   8           HB1      ASP   8  -0.033  12.021   2.285
   64    H    ASP   9           HN       ASP   9   1.429   9.253   2.050
   65    HA   ASP   9           HA       ASP   9   1.844   9.139  -0.750
   66    HB2  ASP   9           HB2      ASP   9   3.129   7.605   1.494
   67    HB3  ASP   9           HB1      ASP   9   3.503   7.248  -0.184
   68    H    LEU  10           HN       LEU  10   0.975   6.609   1.513
   69    HA   LEU  10           HA       LEU  10   0.567   4.559  -0.408
   70    HB2  LEU  10           HB2      LEU  10   0.968   4.410   2.141
   71    HB3  LEU  10           HB1      LEU  10  -0.728   4.755   2.335
   72    HG   LEU  10           HG       LEU  10   0.454   2.333   0.936
   73   HD11  LEU  10          HD11      LEU  10   0.839   2.275   3.308
   74   HD12  LEU  10          HD12      LEU  10  -0.370   1.074   2.853
   75   HD13  LEU  10          HD13      LEU  10  -0.870   2.584   3.617
   76   HD21  LEU  10          HD21      LEU  10  -1.719   2.924   0.018
   77   HD22  LEU  10          HD22      LEU  10  -2.427   2.913   1.636
   78   HD23  LEU  10          HD23      LEU  10  -1.812   1.413   0.927
   79    H    ARG  11           HN       ARG  11  -1.495   6.899   1.187
   80    HA   ARG  11           HA       ARG  11  -3.981   6.173   0.266
   81    HB2  ARG  11           HB2      ARG  11  -3.654   7.887   1.925
   82    HB3  ARG  11           HB1      ARG  11  -2.843   8.917   0.764
   83    HG2  ARG  11           HG2      ARG  11  -4.960   9.131  -0.476
   84    HG3  ARG  11           HG1      ARG  11  -5.752   8.150   0.762
   85    HD2  ARG  11           HD2      ARG  11  -5.163   9.767   2.460
   86    HD3  ARG  11           HD1      ARG  11  -4.290  10.729   1.269
   87    HE   ARG  11           HE       ARG  11  -7.136  10.239   0.851
   88   HH11  ARG  11          HH11      ARG  11  -4.514  12.524   1.441
   89   HH12  ARG  11          HH12      ARG  11  -5.518  13.895   1.493
   90   HH21  ARG  11          HH21      ARG  11  -8.496  12.050   0.851
   91   HH22  ARG  11          HH22      ARG  11  -7.900  13.631   1.127
   92    H    ARG  12           HN       ARG  12  -1.745   8.489  -1.295
   93    HA   ARG  12           HA       ARG  12  -3.300   9.066  -3.557
   94    HB2  ARG  12           HB2      ARG  12  -0.284   8.975  -3.420
   95    HB3  ARG  12           HB1      ARG  12  -1.232   9.781  -4.651
   96    HG2  ARG  12           HG2      ARG  12  -2.059  11.360  -2.989
   97    HG3  ARG  12           HG1      ARG  12  -1.139  10.524  -1.733
   98    HD2  ARG  12           HD2      ARG  12   0.915  10.930  -3.104
   99    HD3  ARG  12           HD1      ARG  12  -0.064  11.957  -4.146
  100    HE   ARG  12           HE       ARG  12  -0.173  12.658  -1.361
  101   HH11  ARG  12          HH11      ARG  12   1.286  13.319  -4.497
  102   HH12  ARG  12          HH12      ARG  12   2.290  14.587  -3.953
  103   HH21  ARG  12          HH21      ARG  12   1.153  14.468  -0.585
  104   HH22  ARG  12          HH22      ARG  12   2.177  15.289  -1.654
  105    H    ALA  13           HN       ALA  13  -0.870   6.558  -3.037
  106    HA   ALA  13           HA       ALA  13  -0.913   5.620  -5.731
  107    HB1  ALA  13           HB1      ALA  13   0.113   4.250  -3.259
  108    HB2  ALA  13           HB2      ALA  13   1.037   5.356  -4.278
  109    HB3  ALA  13           HB3      ALA  13   0.479   3.811  -4.928
  110    H    LEU  14           HN       LEU  14  -2.756   4.861  -2.885
  111    HA   LEU  14           HA       LEU  14  -3.759   2.423  -4.005
  112    HB2  LEU  14           HB2      LEU  14  -3.385   2.833  -1.591
  113    HB3  LEU  14           HB1      LEU  14  -4.737   3.954  -1.596
  114    HG   LEU  14           HG       LEU  14  -6.215   2.062  -2.284
  115   HD11  LEU  14          HD11      LEU  14  -4.513   0.643  -3.294
  116   HD12  LEU  14          HD12      LEU  14  -5.375  -0.225  -2.024
  117   HD13  LEU  14          HD13      LEU  14  -3.756   0.411  -1.719
  118   HD21  LEU  14          HD21      LEU  14  -6.059   2.744   0.055
  119   HD22  LEU  14          HD22      LEU  14  -4.683   1.666   0.287
  120   HD23  LEU  14          HD23      LEU  14  -6.275   0.999  -0.077
  121    H    VAL  15           HN       VAL  15  -4.695   5.778  -3.963
  122    HA   VAL  15           HA       VAL  15  -7.366   5.270  -4.836
  123    HB   VAL  15           HB       VAL  15  -5.726   7.839  -5.049
  124   HG11  VAL  15          HG11      VAL  15  -8.690   7.466  -5.500
  125   HG12  VAL  15          HG12      VAL  15  -7.498   7.882  -6.731
  126   HG13  VAL  15          HG13      VAL  15  -7.853   9.018  -5.429
  127   HG21  VAL  15          HG21      VAL  15  -7.093   8.604  -3.167
  128   HG22  VAL  15          HG22      VAL  15  -6.172   7.156  -2.761
  129   HG23  VAL  15          HG23      VAL  15  -7.896   7.035  -3.119
  130    H    GLU  16           HN       GLU  16  -4.391   5.113  -6.351
  131    HA   GLU  16           HA       GLU  16  -5.168   5.740  -9.017
  132    HB2  GLU  16           HB2      GLU  16  -2.807   4.217  -7.942
  133    HB3  GLU  16           HB1      GLU  16  -2.994   4.652  -9.631
  134    HG2  GLU  16           HG2      GLU  16  -2.837   6.585  -7.336
  135    HG3  GLU  16           HG1      GLU  16  -1.518   6.176  -8.435
  136    H    SER  17           HN       SER  17  -5.270   2.781  -7.103
  137    HA   SER  17           HA       SER  17  -5.901   1.187  -9.410
  138    HB2  SER  17           HB2      SER  17  -6.251  -0.519  -7.436
  139    HB3  SER  17           HB1      SER  17  -4.626  -0.025  -7.923
  140    HG   SER  17           HG       SER  17  -6.174   0.903  -5.740
  141    H    ALA  18           HN       ALA  18  -7.555   3.222  -7.402
  142    HA   ALA  18           HA       ALA  18 -10.097   1.784  -7.618
  143    HB1  ALA  18           HB1      ALA  18 -10.977   3.536  -6.156
  144    HB2  ALA  18           HB2      ALA  18  -9.426   4.368  -6.214
  145    HB3  ALA  18           HB3      ALA  18  -9.547   2.783  -5.453
  146    H    GLY  19           HN       GLY  19  -8.567   4.852  -8.480
  147    HA2  GLY  19           HA2      GLY  19  -8.745   5.848 -10.571
  148    HA3  GLY  19           HA1      GLY  19 -10.176   4.881 -10.891
  149    H    GLU  20           HN       GLU  20 -12.071   5.786 -10.685
  150    HA   GLU  20           HA       GLU  20 -12.114   8.582  -9.827
  151    HB2  GLU  20           HB2      GLU  20 -13.926   7.033 -11.660
  152    HB3  GLU  20           HB1      GLU  20 -14.079   8.745 -11.285
  153    HG2  GLU  20           HG2      GLU  20 -11.982   9.228 -12.318
  154    HG3  GLU  20           HG1      GLU  20 -11.657   7.511 -12.557
  155    H    THR  21           HN       THR  21 -14.567   9.167  -9.405
  156    HA   THR  21           HA       THR  21 -16.321   9.237  -7.983
  157    HB   THR  21           HB       THR  21 -16.013   6.298  -7.592
  158    HG1  THR  21           HG1      THR  21 -16.817   7.744  -9.882
  159   HG21  THR  21          HG21      THR  21 -18.457   8.092  -7.605
  160   HG22  THR  21          HG22      THR  21 -17.694   7.373  -6.187
  161   HG23  THR  21          HG23      THR  21 -18.499   6.343  -7.373
  162    H    ASP  22           HN       ASP  22 -14.401  10.139  -6.918
  163    HA   ASP  22           HA       ASP  22 -13.340  10.823  -5.049
  164    HB2  ASP  22           HB2      ASP  22 -15.392  10.356  -3.772
  165    HB3  ASP  22           HB1      ASP  22 -14.901   8.679  -3.576
  166    H    GLY  23           HN       GLY  23 -13.378   7.446  -5.585
  167    HA2  GLY  23           HA2      GLY  23 -11.313   6.349  -6.136
  168    HA3  GLY  23           HA1      GLY  23 -10.532   7.366  -4.922
  169    H    THR  24           HN       THR  24 -11.016   7.058  -2.758
  170    HA   THR  24           HA       THR  24 -12.460   4.724  -1.899
  171    HB   THR  24           HB       THR  24  -9.463   4.954  -1.372
  172    HG1  THR  24           HG1      THR  24 -10.869   3.732  -3.405
  173   HG21  THR  24          HG21      THR  24  -9.712   2.670  -0.493
  174   HG22  THR  24          HG22      THR  24 -11.441   2.729  -0.839
  175   HG23  THR  24          HG23      THR  24 -10.745   3.810   0.369
  176    H    ASP  25           HN       ASP  25 -13.210   5.274   0.151
  177    HA   ASP  25           HA       ASP  25 -12.508   7.749   1.379
  178    HB2  ASP  25           HB2      ASP  25 -14.666   6.746   1.935
  179    HB3  ASP  25           HB1      ASP  25 -13.873   5.288   2.527
  180    H    LEU  26           HN       LEU  26 -10.531   8.097   1.993
  181    HA   LEU  26           HA       LEU  26  -9.018   5.947   3.327
  182    HB2  LEU  26           HB2      LEU  26  -8.921   6.364   0.675
  183    HB3  LEU  26           HB1      LEU  26  -7.734   7.537   1.187
  184    HG   LEU  26           HG       LEU  26  -6.391   5.761   2.204
  185   HD11  LEU  26          HD11      LEU  26  -7.041   3.419   1.881
  186   HD12  LEU  26          HD12      LEU  26  -8.554   3.934   1.135
  187   HD13  LEU  26          HD13      LEU  26  -8.251   4.274   2.840
  188   HD21  LEU  26          HD21      LEU  26  -6.082   6.355  -0.157
  189   HD22  LEU  26          HD22      LEU  26  -7.282   5.150  -0.606
  190   HD23  LEU  26          HD23      LEU  26  -5.763   4.641   0.131
  191    H    SER  27           HN       SER  27 -10.166   8.271   4.441
  192    HA   SER  27           HA       SER  27  -7.957  10.173   4.668
  193    HB2  SER  27           HB2      SER  27 -10.851  10.444   5.475
  194    HB3  SER  27           HB1      SER  27  -9.629  11.711   5.590
  195    HG   SER  27           HG       SER  27 -11.111  10.921   3.480
  196    H    GLY  28           HN       GLY  28  -7.212  10.819   6.718
  197    HA2  GLY  28           HA2      GLY  28  -6.839  10.641   9.015
  198    HA3  GLY  28           HA1      GLY  28  -8.178   9.498   9.115
  199    H    ASP  29           HN       ASP  29  -7.198   7.857  10.230
  200    HA   ASP  29           HA       ASP  29  -4.743   6.740   9.061
  201    HB2  ASP  29           HB2      ASP  29  -4.746   7.056  11.555
  202    HB3  ASP  29           HB1      ASP  29  -6.118   5.958  11.664
  203    H    PHE  30           HN       PHE  30  -5.277   5.499   7.444
  204    HA   PHE  30           HA       PHE  30  -7.595   3.726   7.734
  205    HB2  PHE  30           HB2      PHE  30  -7.534   3.526   5.277
  206    HB3  PHE  30           HB1      PHE  30  -7.703   5.198   5.786
  207    HD1  PHE  30           HD2      PHE  30  -5.470   2.723   4.262
  208    HD2  PHE  30           HD1      PHE  30  -5.940   6.810   5.340
  209    HE1  PHE  30           HE2      PHE  30  -3.533   3.315   2.875
  210    HE2  PHE  30           HE1      PHE  30  -4.004   7.404   3.956
  211    HZ   PHE  30           HZ       PHE  30  -2.827   5.662   2.686
  212    H    LEU  31           HN       LEU  31  -4.642   3.460   8.652
  213    HA   LEU  31           HA       LEU  31  -3.629   1.460   6.882
  214    HB2  LEU  31           HB2      LEU  31  -2.543   2.391   9.533
  215    HB3  LEU  31           HB1      LEU  31  -1.750   1.251   8.479
  216    HG   LEU  31           HG       LEU  31  -0.626   3.269   8.203
  217   HD11  LEU  31          HD11      LEU  31  -0.969   2.174   6.123
  218   HD12  LEU  31          HD12      LEU  31  -0.969   3.923   5.895
  219   HD13  LEU  31          HD13      LEU  31  -2.492   3.032   5.884
  220   HD21  LEU  31          HD21      LEU  31  -3.269   4.664   7.822
  221   HD22  LEU  31          HD22      LEU  31  -1.684   5.422   7.666
  222   HD23  LEU  31          HD23      LEU  31  -2.212   4.788   9.226
  223    H    ASP  32           HN       ASP  32  -5.436   1.440   9.853
  224    HA   ASP  32           HA       ASP  32  -4.979  -1.444  10.005
  225    HB2  ASP  32           HB2      ASP  32  -6.377   0.351  12.008
  226    HB3  ASP  32           HB1      ASP  32  -6.081  -1.372  12.205
  227    H    LEU  33           HN       LEU  33  -6.824   0.494   8.380
  228    HA   LEU  33           HA       LEU  33  -9.394  -0.796   8.721
  229    HB2  LEU  33           HB2      LEU  33  -9.248   1.622   8.226
  230    HB3  LEU  33           HB1      LEU  33  -8.386   1.267   6.746
  231    HG   LEU  33           HG       LEU  33 -10.416   0.172   5.854
  232   HD11  LEU  33          HD11      LEU  33 -12.545   0.470   7.009
  233   HD12  LEU  33          HD12      LEU  33 -11.706   1.184   8.384
  234   HD13  LEU  33          HD13      LEU  33 -11.431  -0.506   7.965
  235   HD21  LEU  33          HD21      LEU  33  -9.945   2.509   5.373
  236   HD22  LEU  33          HD22      LEU  33 -10.805   2.992   6.837
  237   HD23  LEU  33          HD23      LEU  33 -11.681   2.228   5.509
  238    H    ARG  34           HN       ARG  34  -9.712  -2.657   7.788
  239    HA   ARG  34           HA       ARG  34  -7.759  -3.924   6.160
  240    HB2  ARG  34           HB2      ARG  34 -10.609  -4.727   6.689
  241    HB3  ARG  34           HB1      ARG  34  -9.342  -5.761   6.040
  242    HG2  ARG  34           HG2      ARG  34  -8.137  -5.708   8.063
  243    HG3  ARG  34           HG1      ARG  34  -9.176  -4.444   8.738
  244    HD2  ARG  34           HD2      ARG  34  -9.943  -7.269   8.057
  245    HD3  ARG  34           HD1      ARG  34  -9.794  -6.572   9.672
  246    HE   ARG  34           HE       ARG  34 -11.593  -4.975   8.785
  247   HH11  ARG  34          HH11      ARG  34 -11.400  -8.438   8.111
  248   HH12  ARG  34          HH12      ARG  34 -13.069  -8.628   7.815
  249   HH21  ARG  34          HH21      ARG  34 -13.838  -5.183   8.313
  250   HH22  ARG  34          HH22      ARG  34 -14.518  -6.683   7.869
  251    H    PHE  35           HN       PHE  35  -7.881  -4.609   4.019
  252    HA   PHE  35           HA       PHE  35  -8.997  -2.708   2.247
  253    HB2  PHE  35           HB2      PHE  35  -7.729  -5.390   1.701
  254    HB3  PHE  35           HB1      PHE  35  -8.184  -4.243   0.446
  255    HD1  PHE  35           HD2      PHE  35  -7.220  -1.811   0.824
  256    HD2  PHE  35           HD1      PHE  35  -5.577  -5.370   2.466
  257    HE1  PHE  35           HE2      PHE  35  -5.054  -0.684   1.086
  258    HE2  PHE  35           HE1      PHE  35  -3.407  -4.250   2.732
  259    HZ   PHE  35           HZ       PHE  35  -3.134  -1.914   1.981
  260    H    GLU  36           HN       GLU  36 -10.000  -5.776   3.389
  261    HA   GLU  36           HA       GLU  36 -12.106  -6.496   1.767
  262    HB2  GLU  36           HB2      GLU  36 -11.263  -7.765   3.716
  263    HB3  GLU  36           HB1      GLU  36 -11.970  -6.576   4.792
  264    HG2  GLU  36           HG2      GLU  36 -13.323  -8.566   4.705
  265    HG3  GLU  36           HG1      GLU  36 -14.200  -7.205   4.010
  266    H    ASP  37           HN       ASP  37 -11.964  -3.975   4.231
  267    HA   ASP  37           HA       ASP  37 -14.772  -3.431   4.317
  268    HB2  ASP  37           HB2      ASP  37 -13.119  -2.925   6.162
  269    HB3  ASP  37           HB1      ASP  37 -12.510  -1.611   5.164
  270    H    ILE  38           HN       ILE  38 -11.994  -2.088   2.645
  271    HA   ILE  38           HA       ILE  38 -13.703  -0.084   1.409
  272    HB   ILE  38           HB       ILE  38 -11.627   0.883   0.440
  273   HG12  ILE  38          HG12      ILE  38 -10.235  -1.221   2.131
  274   HG13  ILE  38          HG11      ILE  38 -10.264  -1.172   0.373
  275   HG21  ILE  38          HG21      ILE  38 -11.652   0.521   3.430
  276   HG22  ILE  38          HG22      ILE  38 -12.538   1.735   2.508
  277   HG23  ILE  38          HG23      ILE  38 -10.776   1.783   2.562
  278   HD11  ILE  38          HD11      ILE  38  -8.979   0.863   2.187
  279   HD12  ILE  38          HD12      ILE  38  -9.008   0.932   0.426
  280   HD13  ILE  38          HD13      ILE  38  -8.145  -0.371   1.243
  281    H    GLY  39           HN       GLY  39 -13.623  -2.997   0.770
  282    HA2  GLY  39           HA2      GLY  39 -14.050  -4.317  -1.050
  283    HA3  GLY  39           HA1      GLY  39 -14.412  -2.829  -1.903
  284    H    TYR  40           HN       TYR  40 -11.285  -3.878  -0.574
  285    HA   TYR  40           HA       TYR  40 -10.278  -3.650  -3.275
  286    HB2  TYR  40           HB2      TYR  40  -9.250  -2.874  -0.692
  287    HB3  TYR  40           HB1      TYR  40  -8.100  -3.836  -1.628
  288    HD1  TYR  40           HD1      TYR  40 -10.382  -0.909  -1.947
  289    HD2  TYR  40           HD2      TYR  40  -6.867  -2.878  -3.261
  290    HE1  TYR  40           HE1      TYR  40  -9.865   1.002  -3.409
  291    HE2  TYR  40           HE2      TYR  40  -6.323  -1.008  -4.698
  292    HH   TYR  40           HH       TYR  40  -7.787   1.972  -4.481
  293    H    ASP  41           HN       ASP  41  -8.280  -5.034  -3.665
  294    HA   ASP  41           HA       ASP  41  -8.690  -7.750  -2.694
  295    HB2  ASP  41           HB2      ASP  41  -8.754  -8.660  -4.926
  296    HB3  ASP  41           HB1      ASP  41 -10.023  -7.448  -4.791
  297    H    SER  42           HN       SER  42  -6.918  -9.143  -3.773
  298    HA   SER  42           HA       SER  42  -4.479  -8.241  -2.706
  299    HB2  SER  42           HB2      SER  42  -4.691 -10.524  -4.624
  300    HB3  SER  42           HB1      SER  42  -3.734 -10.387  -3.144
  301    H    LEU  43           HN       LEU  43  -5.675  -8.505  -6.028
  302    HA   LEU  43           HA       LEU  43  -3.138  -8.121  -7.268
  303    HB2  LEU  43           HB2      LEU  43  -5.940  -7.915  -8.364
  304    HB3  LEU  43           HB1      LEU  43  -4.492  -7.806  -9.340
  305    HG   LEU  43           HG       LEU  43  -5.268 -10.237  -7.723
  306   HD11  LEU  43          HD11      LEU  43  -5.853 -11.233  -9.876
  307   HD12  LEU  43          HD12      LEU  43  -5.529  -9.696 -10.679
  308   HD13  LEU  43          HD13      LEU  43  -6.860  -9.828  -9.530
  309   HD21  LEU  43          HD21      LEU  43  -3.153  -9.814  -9.836
  310   HD22  LEU  43          HD22      LEU  43  -3.534 -11.341  -9.039
  311   HD23  LEU  43          HD23      LEU  43  -2.862 -10.006  -8.106
  312    H    ALA  44           HN       ALA  44  -5.789  -6.079  -6.346
  313    HA   ALA  44           HA       ALA  44  -4.866  -3.720  -7.602
  314    HB1  ALA  44           HB1      ALA  44  -7.164  -3.990  -6.792
  315    HB2  ALA  44           HB2      ALA  44  -6.405  -2.549  -6.119
  316    HB3  ALA  44           HB3      ALA  44  -6.575  -3.999  -5.129
  317    H    LEU  45           HN       LEU  45  -4.138  -5.275  -4.591
  318    HA   LEU  45           HA       LEU  45  -2.710  -3.111  -3.431
  319    HB2  LEU  45           HB2      LEU  45  -2.456  -6.047  -2.850
  320    HB3  LEU  45           HB1      LEU  45  -1.919  -4.737  -1.817
  321    HG   LEU  45           HG       LEU  45  -4.761  -5.383  -2.520
  322   HD11  LEU  45          HD11      LEU  45  -3.224  -5.670   0.045
  323   HD12  LEU  45          HD12      LEU  45  -3.794  -6.978  -0.991
  324   HD13  LEU  45          HD13      LEU  45  -4.955  -5.947  -0.152
  325   HD21  LEU  45          HD21      LEU  45  -4.441  -3.002  -2.291
  326   HD22  LEU  45          HD22      LEU  45  -3.594  -3.245  -0.763
  327   HD23  LEU  45          HD23      LEU  45  -5.313  -3.631  -0.889
  328    H    MET  46           HN       MET  46  -1.883  -6.037  -5.160
  329    HA   MET  46           HA       MET  46   0.901  -5.850  -5.200
  330    HB2  MET  46           HB2      MET  46  -1.035  -7.031  -7.192
  331    HB3  MET  46           HB1      MET  46   0.708  -7.187  -7.350
  332    HG2  MET  46           HG2      MET  46   0.859  -8.466  -5.342
  333    HG3  MET  46           HG1      MET  46  -0.806  -8.067  -4.929
  334    HE1  MET  46           HE1      MET  46   1.434  -9.952  -7.615
  335    HE2  MET  46           HE2      MET  46   0.313  -8.985  -8.572
  336    HE3  MET  46           HE3      MET  46   0.183 -10.743  -8.572
  337    H    GLU  47           HN       GLU  47  -1.497  -4.585  -7.465
  338    HA   GLU  47           HA       GLU  47   0.179  -3.323  -9.288
  339    HB2  GLU  47           HB2      GLU  47  -2.276  -3.583  -9.501
  340    HB3  GLU  47           HB1      GLU  47  -2.489  -2.336  -8.284
  341    HG2  GLU  47           HG2      GLU  47  -1.156  -0.796  -9.764
  342    HG3  GLU  47           HG1      GLU  47  -1.298  -2.019 -11.021
  343    H    THR  48           HN       THR  48  -1.332  -2.045  -6.368
  344    HA   THR  48           HA       THR  48  -0.284   0.509  -6.329
  345    HB   THR  48           HB       THR  48  -1.075  -1.318  -4.053
  346    HG1  THR  48           HG1      THR  48  -2.894  -0.970  -5.211
  347   HG21  THR  48          HG21      THR  48  -1.429   0.745  -2.755
  348   HG22  THR  48          HG22      THR  48  -0.758   1.701  -4.082
  349   HG23  THR  48          HG23      THR  48   0.265   0.559  -3.203
  350    H    ALA  49           HN       ALA  49   1.002  -2.407  -4.690
  351    HA   ALA  49           HA       ALA  49   3.270  -1.186  -3.609
  352    HB1  ALA  49           HB1      ALA  49   2.931  -4.079  -4.417
  353    HB2  ALA  49           HB2      ALA  49   2.457  -3.374  -2.868
  354    HB3  ALA  49           HB3      ALA  49   4.157  -3.444  -3.320
  355    H    ALA  50           HN       ALA  50   2.868  -2.901  -6.714
  356    HA   ALA  50           HA       ALA  50   5.528  -2.688  -7.568
  357    HB1  ALA  50           HB1      ALA  50   3.040  -2.800  -9.276
  358    HB2  ALA  50           HB2      ALA  50   3.887  -4.193  -8.602
  359    HB3  ALA  50           HB3      ALA  50   4.681  -3.174  -9.800
  360    H    ARG  51           HN       ARG  51   2.881  -0.459  -7.753
  361    HA   ARG  51           HA       ARG  51   4.043   1.439  -9.478
  362    HB2  ARG  51           HB2      ARG  51   1.717   1.434  -9.340
  363    HB3  ARG  51           HB1      ARG  51   1.723   1.305  -7.595
  364    HG2  ARG  51           HG2      ARG  51   2.194   3.590  -7.347
  365    HG3  ARG  51           HG1      ARG  51   2.569   3.763  -9.071
  366    HD2  ARG  51           HD2      ARG  51   0.296   4.624  -8.409
  367    HD3  ARG  51           HD1      ARG  51   0.288   3.422  -9.690
  368    HE   ARG  51           HE       ARG  51  -0.450   2.841  -6.873
  369   HH11  ARG  51          HH11      ARG  51  -0.977   2.406 -10.380
  370   HH12  ARG  51          HH12      ARG  51  -2.267   1.297 -10.122
  371   HH21  ARG  51          HH21      ARG  51  -2.346   1.297  -6.665
  372   HH22  ARG  51          HH22      ARG  51  -2.995   0.708  -8.131
  373    H    LEU  52           HN       LEU  52   4.090   0.922  -6.026
  374    HA   LEU  52           HA       LEU  52   5.374   3.390  -5.378
  375    HB2  LEU  52           HB2      LEU  52   5.064   0.822  -3.830
  376    HB3  LEU  52           HB1      LEU  52   5.768   2.286  -3.172
  377    HG   LEU  52           HG       LEU  52   2.944   2.114  -4.216
  378   HD11  LEU  52          HD11      LEU  52   3.200   0.653  -2.293
  379   HD12  LEU  52          HD12      LEU  52   2.270   2.089  -1.861
  380   HD13  LEU  52          HD13      LEU  52   3.963   1.954  -1.383
  381   HD21  LEU  52          HD21      LEU  52   4.367   4.195  -2.549
  382   HD22  LEU  52          HD22      LEU  52   2.665   4.223  -3.011
  383   HD23  LEU  52          HD23      LEU  52   3.912   4.355  -4.246
  384    H    GLU  53           HN       GLU  53   6.413   0.121  -6.063
  385    HA   GLU  53           HA       GLU  53   9.056   0.120  -5.316
  386    HB2  GLU  53           HB2      GLU  53   7.822  -1.127  -7.765
  387    HB3  GLU  53           HB1      GLU  53   9.448  -1.466  -7.205
  388    HG2  GLU  53           HG2      GLU  53   8.486  -2.325  -5.089
  389    HG3  GLU  53           HG1      GLU  53   6.875  -2.072  -5.769
  390    H    SER  54           HN       SER  54   7.843   1.037  -8.533
  391    HA   SER  54           HA       SER  54  10.254   1.704  -9.690
  392    HB2  SER  54           HB2      SER  54   7.545   2.870 -10.272
  393    HB3  SER  54           HB1      SER  54   8.925   2.804 -11.368
  394    HG   SER  54           HG       SER  54   8.045   1.030 -11.942
  395    H    ARG  55           HN       ARG  55   8.281   3.616  -7.543
  396    HA   ARG  55           HA       ARG  55   9.666   6.043  -8.303
  397    HB2  ARG  55           HB2      ARG  55   7.308   6.257  -7.898
  398    HB3  ARG  55           HB1      ARG  55   7.465   5.544  -6.301
  399    HG2  ARG  55           HG2      ARG  55   8.740   7.480  -5.549
  400    HG3  ARG  55           HG1      ARG  55   8.631   8.193  -7.160
  401    HD2  ARG  55           HD2      ARG  55   6.250   8.385  -6.970
  402    HD3  ARG  55           HD1      ARG  55   6.254   7.468  -5.464
  403    HE   ARG  55           HE       ARG  55   7.890   9.671  -5.062
  404   HH11  ARG  55          HH11      ARG  55   4.440   9.085  -5.725
  405   HH12  ARG  55          HH12      ARG  55   3.937  10.459  -4.853
  406   HH21  ARG  55          HH21      ARG  55   7.186  11.498  -3.928
  407   HH22  ARG  55          HH22      ARG  55   5.516  11.865  -3.783
  408    H    TYR  56           HN       TYR  56   9.667   3.743  -5.649
  409    HA   TYR  56           HA       TYR  56  11.460   5.554  -4.251
  410    HB2  TYR  56           HB2      TYR  56   9.677   3.403  -3.173
  411    HB3  TYR  56           HB1      TYR  56  10.928   4.178  -2.195
  412    HD1  TYR  56           HD1      TYR  56  10.847   6.582  -1.778
  413    HD2  TYR  56           HD2      TYR  56   7.637   4.586  -3.711
  414    HE1  TYR  56           HE1      TYR  56   9.418   8.521  -1.382
  415    HE2  TYR  56           HE2      TYR  56   6.183   6.540  -3.311
  416    HH   TYR  56           HH       TYR  56   6.112   8.580  -1.643
  417    H    GLY  57           HN       GLY  57  11.640   2.569  -5.877
  418    HA2  GLY  57           HA2      GLY  57  13.619   1.463  -6.361
  419    HA3  GLY  57           HA1      GLY  57  14.449   2.468  -5.176
  420    H    VAL  58           HN       VAL  58  11.901   0.055  -5.268
  421    HA   VAL  58           HA       VAL  58  13.198  -1.455  -3.181
  422    HB   VAL  58           HB       VAL  58  11.684   0.085  -1.947
  423   HG11  VAL  58          HG11      VAL  58   9.253  -0.010  -2.206
  424   HG12  VAL  58          HG12      VAL  58   9.458  -1.058  -3.609
  425   HG13  VAL  58          HG13      VAL  58  10.069   0.597  -3.648
  426   HG21  VAL  58          HG21      VAL  58  10.343  -1.569  -0.716
  427   HG22  VAL  58          HG22      VAL  58  11.985  -2.134  -1.020
  428   HG23  VAL  58          HG23      VAL  58  10.649  -2.745  -1.993
  429    H    SER  59           HN       SER  59  12.461  -3.689  -3.269
  430    HA   SER  59           HA       SER  59  10.768  -4.247  -5.577
  431    HB2  SER  59           HB2      SER  59  13.375  -5.632  -4.904
  432    HB3  SER  59           HB1      SER  59  12.275  -6.093  -6.208
  433    HG   SER  59           HG       SER  59  12.521  -3.856  -6.921
  434    H    ILE  60           HN       ILE  60   9.088  -5.321  -4.960
  435    HA   ILE  60           HA       ILE  60   9.311  -7.088  -2.609
  436    HB   ILE  60           HB       ILE  60   6.970  -5.316  -3.389
  437   HG12  ILE  60          HG12      ILE  60   8.775  -5.265  -0.958
  438   HG13  ILE  60          HG11      ILE  60   8.818  -4.121  -2.293
  439   HG21  ILE  60          HG21      ILE  60   7.170  -7.282  -1.102
  440   HG22  ILE  60          HG22      ILE  60   6.142  -7.439  -2.525
  441   HG23  ILE  60          HG23      ILE  60   5.845  -6.144  -1.363
  442   HD11  ILE  60          HD11      ILE  60   7.694  -3.195  -0.354
  443   HD12  ILE  60          HD12      ILE  60   6.529  -4.522  -0.381
  444   HD13  ILE  60          HD13      ILE  60   6.578  -3.362  -1.708
  445    HA   PRO  61           HA       PRO  61   7.973 -10.235  -5.498
  446    HB2  PRO  61           HB2      PRO  61   7.254 -11.636  -2.973
  447    HB3  PRO  61           HB1      PRO  61   8.268 -12.190  -4.310
  448    HG2  PRO  61           HG2      PRO  61   9.364 -11.450  -2.000
  449    HG3  PRO  61           HG1      PRO  61  10.135 -11.041  -3.545
  450    HD2  PRO  61           HD2      PRO  61   8.510  -9.312  -1.720
  451    HD3  PRO  61           HD1      PRO  61   9.984  -8.915  -2.630
  452    H    ASP  62           HN       ASP  62   6.064 -10.788  -6.325
  453    HA   ASP  62           HA       ASP  62   3.797  -9.247  -5.906
  454    HB2  ASP  62           HB2      ASP  62   4.011 -11.943  -7.249
  455    HB3  ASP  62           HB1      ASP  62   2.673 -10.817  -7.434
  456    H    ASP  63           HN       ASP  63   4.526 -12.500  -4.819
  457    HA   ASP  63           HA       ASP  63   2.040 -13.256  -3.768
  458    HB2  ASP  63           HB2      ASP  63   4.790 -14.039  -2.775
  459    HB3  ASP  63           HB1      ASP  63   3.297 -14.801  -2.253
  460    H    VAL  64           HN       VAL  64   4.523 -11.271  -2.404
  461    HA   VAL  64           HA       VAL  64   3.708 -11.305   0.323
  462    HB   VAL  64           HB       VAL  64   5.199  -9.183  -1.202
  463   HG11  VAL  64          HG11      VAL  64   6.186  -8.608   0.998
  464   HG12  VAL  64          HG12      VAL  64   5.151  -9.818   1.758
  465   HG13  VAL  64          HG13      VAL  64   4.433  -8.406   0.983
  466   HG21  VAL  64          HG21      VAL  64   6.258 -11.587   0.273
  467   HG22  VAL  64          HG22      VAL  64   7.245 -10.289  -0.402
  468   HG23  VAL  64          HG23      VAL  64   6.288 -11.316  -1.470
  469    H    ALA  65           HN       ALA  65   3.281  -8.967  -2.295
  470    HA   ALA  65           HA       ALA  65   1.777  -7.091  -0.835
  471    HB1  ALA  65           HB1      ALA  65   1.242  -6.095  -2.995
  472    HB2  ALA  65           HB2      ALA  65   1.811  -7.549  -3.816
  473    HB3  ALA  65           HB3      ALA  65   2.946  -6.544  -2.918
  474    H    GLY  66           HN       GLY  66   0.862  -9.985  -2.525
  475    HA2  GLY  66           HA2      GLY  66  -1.953  -9.371  -2.446
  476    HA3  GLY  66           HA1      GLY  66  -1.221 -10.878  -2.972
  477    H    ARG  67           HN       ARG  67   0.078 -10.134   0.001
  478    HA   ARG  67           HA       ARG  67  -1.868 -11.889   1.347
  479    HB2  ARG  67           HB2      ARG  67   1.065 -11.463   1.851
  480    HB3  ARG  67           HB1      ARG  67   0.019 -12.291   2.989
  481    HG2  ARG  67           HG2      ARG  67  -0.460 -13.999   1.368
  482    HG3  ARG  67           HG1      ARG  67   0.465 -13.135   0.141
  483    HD2  ARG  67           HD2      ARG  67   1.761 -14.975   1.085
  484    HD3  ARG  67           HD1      ARG  67   2.495 -13.419   1.452
  485    HE   ARG  67           HE       ARG  67   1.317 -13.697   3.692
  486   HH11  ARG  67          HH11      ARG  67   2.603 -16.424   1.816
  487   HH12  ARG  67          HH12      ARG  67   2.895 -17.398   3.180
  488   HH21  ARG  67          HH21      ARG  67   1.714 -15.083   5.569
  489   HH22  ARG  67          HH22      ARG  67   2.313 -16.664   5.314
  490    H    VAL  68           HN       VAL  68  -1.144  -8.673   1.234
  491    HA   VAL  68           HA       VAL  68  -1.265  -8.327   4.100
  492    HB   VAL  68           HB       VAL  68  -1.001  -5.876   3.684
  493   HG11  VAL  68          HG11      VAL  68   1.318  -6.012   2.901
  494   HG12  VAL  68          HG12      VAL  68   1.022  -7.661   2.351
  495   HG13  VAL  68          HG13      VAL  68   0.926  -7.271   4.070
  496   HG21  VAL  68          HG21      VAL  68  -2.027  -5.698   1.460
  497   HG22  VAL  68          HG22      VAL  68  -0.737  -6.705   0.790
  498   HG23  VAL  68          HG23      VAL  68  -0.360  -5.111   1.435
  499    H    ASP  69           HN       ASP  69  -2.960  -7.881   5.284
  500    HA   ASP  69           HA       ASP  69  -5.549  -7.742   3.918
  501    HB2  ASP  69           HB2      ASP  69  -5.167  -9.466   5.698
  502    HB3  ASP  69           HB1      ASP  69  -4.920  -8.175   6.854
  503    H    THR  70           HN       THR  70  -3.411  -5.916   5.905
  504    HA   THR  70           HA       THR  70  -5.280  -3.664   5.785
  505    HB   THR  70           HB       THR  70  -4.282  -2.891   7.966
  506    HG1  THR  70           HG1      THR  70  -2.982  -5.394   7.708
  507   HG21  THR  70          HG21      THR  70  -6.466  -3.984   7.917
  508   HG22  THR  70          HG22      THR  70  -5.577  -4.453   9.368
  509   HG23  THR  70          HG23      THR  70  -5.684  -5.562   7.996
  510    HA   PRO  71           HA       PRO  71  -2.048  -1.349   3.757
  511    HB2  PRO  71           HB2      PRO  71  -2.981   0.935   5.417
  512    HB3  PRO  71           HB1      PRO  71  -2.821   0.811   3.660
  513    HG2  PRO  71           HG2      PRO  71  -5.212   0.737   4.806
  514    HG3  PRO  71           HG1      PRO  71  -4.830  -0.312   3.426
  515    HD2  PRO  71           HD2      PRO  71  -4.978  -0.985   6.335
  516    HD3  PRO  71           HD1      PRO  71  -5.529  -1.921   4.931
  517    H    ARG  72           HN       ARG  72  -2.386  -1.369   7.214
  518    HA   ARG  72           HA       ARG  72  -0.079  -0.127   8.135
  519    HB2  ARG  72           HB2      ARG  72  -1.925  -1.088   9.545
  520    HB3  ARG  72           HB1      ARG  72  -1.335  -2.695   9.168
  521    HG2  ARG  72           HG2      ARG  72  -0.603  -2.134  11.363
  522    HG3  ARG  72           HG1      ARG  72   0.807  -2.087  10.308
  523    HD2  ARG  72           HD2      ARG  72   0.871  -0.189  11.797
  524    HD3  ARG  72           HD1      ARG  72   0.562   0.370  10.156
  525    HE   ARG  72           HE       ARG  72  -1.826  -0.040  11.744
  526   HH11  ARG  72          HH11      ARG  72   0.729   2.310  10.942
  527   HH12  ARG  72          HH12      ARG  72  -0.226   3.671  11.242
  528   HH21  ARG  72          HH21      ARG  72  -3.123   1.857  12.218
  529   HH22  ARG  72          HH22      ARG  72  -2.533   3.419  11.926
  530    H    GLU  73           HN       GLU  73  -0.605  -3.386   6.923
  531    HA   GLU  73           HA       GLU  73   2.057  -4.347   7.284
  532    HB2  GLU  73           HB2      GLU  73  -0.204  -5.347   5.544
  533    HB3  GLU  73           HB1      GLU  73   1.242  -6.253   5.963
  534    HG2  GLU  73           HG2      GLU  73   0.593  -6.433   8.219
  535    HG3  GLU  73           HG1      GLU  73  -0.677  -5.225   8.026
  536    H    LEU  74           HN       LEU  74   0.145  -3.168   4.560
  537    HA   LEU  74           HA       LEU  74   1.968  -3.532   2.438
  538    HB2  LEU  74           HB2      LEU  74  -0.547  -2.854   2.428
  539    HB3  LEU  74           HB1      LEU  74   0.021  -1.220   2.640
  540    HG   LEU  74           HG       LEU  74   0.570  -2.979   0.224
  541   HD11  LEU  74          HD11      LEU  74  -0.952  -1.493  -0.950
  542   HD12  LEU  74          HD12      LEU  74  -1.305  -0.664   0.567
  543   HD13  LEU  74          HD13      LEU  74  -1.745  -2.359   0.366
  544   HD21  LEU  74          HD21      LEU  74   1.401  -0.942  -0.854
  545   HD22  LEU  74          HD22      LEU  74   2.368  -1.320   0.572
  546   HD23  LEU  74          HD23      LEU  74   1.157  -0.038   0.642
  547    H    LEU  75           HN       LEU  75   1.449  -0.748   4.563
  548    HA   LEU  75           HA       LEU  75   3.366   1.005   3.507
  549    HB2  LEU  75           HB2      LEU  75   1.547   1.629   5.040
  550    HB3  LEU  75           HB1      LEU  75   2.320   0.727   6.325
  551    HG   LEU  75           HG       LEU  75   4.242   2.309   6.196
  552   HD11  LEU  75          HD11      LEU  75   3.921   4.436   5.048
  553   HD12  LEU  75          HD12      LEU  75   2.410   3.840   4.365
  554   HD13  LEU  75          HD13      LEU  75   3.939   3.084   3.917
  555   HD21  LEU  75          HD21      LEU  75   3.076   4.135   7.342
  556   HD22  LEU  75          HD22      LEU  75   2.502   2.555   7.878
  557   HD23  LEU  75          HD23      LEU  75   1.532   3.511   6.758
  558    H    ASP  76           HN       ASP  76   3.492  -1.366   6.119
  559    HA   ASP  76           HA       ASP  76   6.077  -0.806   7.025
  560    HB2  ASP  76           HB2      ASP  76   4.421  -2.044   8.350
  561    HB3  ASP  76           HB1      ASP  76   4.563  -3.402   7.237
  562    H    LEU  77           HN       LEU  77   4.912  -3.067   4.611
  563    HA   LEU  77           HA       LEU  77   7.202  -4.531   4.045
  564    HB2  LEU  77           HB2      LEU  77   5.155  -3.458   2.108
  565    HB3  LEU  77           HB1      LEU  77   6.307  -4.698   1.697
  566    HG   LEU  77           HG       LEU  77   4.071  -4.915   3.693
  567   HD11  LEU  77          HD11      LEU  77   3.172  -6.527   2.094
  568   HD12  LEU  77          HD12      LEU  77   4.516  -6.194   1.003
  569   HD13  LEU  77          HD13      LEU  77   3.346  -4.926   1.377
  570   HD21  LEU  77          HD21      LEU  77   6.108  -6.977   2.839
  571   HD22  LEU  77          HD22      LEU  77   4.718  -7.269   3.884
  572   HD23  LEU  77          HD23      LEU  77   6.019  -6.208   4.423
  573    H    ILE  78           HN       ILE  78   6.198  -1.441   2.741
  574    HA   ILE  78           HA       ILE  78   8.457  -0.955   1.086
  575    HB   ILE  78           HB       ILE  78   6.531   1.020   2.355
  576   HG12  ILE  78          HG12      ILE  78   5.382  -0.671   0.956
  577   HG13  ILE  78          HG11      ILE  78   5.274   0.944   0.268
  578   HG21  ILE  78          HG21      ILE  78   7.194   2.544   0.546
  579   HG22  ILE  78          HG22      ILE  78   8.378   1.361  -0.009
  580   HG23  ILE  78          HG23      ILE  78   8.561   2.111   1.575
  581   HD11  ILE  78          HD11      ILE  78   7.145  -1.242  -0.632
  582   HD12  ILE  78          HD12      ILE  78   7.030   0.372  -1.335
  583   HD13  ILE  78          HD13      ILE  78   5.664  -0.738  -1.445
  584    H    ASN  79           HN       ASN  79   7.465   0.344   4.247
  585    HA   ASN  79           HA       ASN  79   9.608   1.992   4.880
  586    HB2  ASN  79           HB2      ASN  79   7.954   0.277   6.740
  587    HB3  ASN  79           HB1      ASN  79   9.100   1.482   7.295
  588   HD21  ASN  79          HD21      ASN  79   8.423   3.468   5.277
  589   HD22  ASN  79          HD22      ASN  79   6.838   4.023   5.724
  590    H    GLY  80           HN       GLY  80   9.211  -1.407   5.825
  591    HA2  GLY  80           HA2      GLY  80  11.634  -1.685   7.160
  592    HA3  GLY  80           HA1      GLY  80  10.672  -2.990   6.483
  593    H    ALA  81           HN       ALA  81  10.797  -2.491   3.810
  594    HA   ALA  81           HA       ALA  81  13.316  -3.596   3.214
  595    HB1  ALA  81           HB1      ALA  81  12.638  -3.510   0.892
  596    HB2  ALA  81           HB2      ALA  81  11.312  -2.420   1.298
  597    HB3  ALA  81           HB3      ALA  81  11.307  -4.077   1.900
  598    H    LEU  82           HN       LEU  82  12.001  -0.341   2.633
  599    HA   LEU  82           HA       LEU  82  14.298   0.604   1.296
  600    HB2  LEU  82           HB2      LEU  82  12.119   2.096   2.726
  601    HB3  LEU  82           HB1      LEU  82  13.424   2.894   1.877
  602    HG   LEU  82           HG       LEU  82  11.342   1.097   0.635
  603   HD11  LEU  82          HD11      LEU  82  11.788   4.075   0.476
  604   HD12  LEU  82          HD12      LEU  82  10.474   3.269   1.331
  605   HD13  LEU  82          HD13      LEU  82  10.575   3.165  -0.426
  606   HD21  LEU  82          HD21      LEU  82  13.498   0.920  -0.507
  607   HD22  LEU  82          HD22      LEU  82  13.588   2.676  -0.621
  608   HD23  LEU  82          HD23      LEU  82  12.332   1.798  -1.497
  609    H    ALA  83           HN       ALA  83  13.346   0.845   4.718
  610    HA   ALA  83           HA       ALA  83  15.600   2.424   5.409
  611    HB1  ALA  83           HB1      ALA  83  13.546   2.396   6.755
  612    HB2  ALA  83           HB2      ALA  83  14.971   2.010   7.720
  613    HB3  ALA  83           HB3      ALA  83  13.877   0.725   7.209
  614    H    GLU  84           HN       GLU  84  15.247  -0.886   4.803
  615    HA   GLU  84           HA       GLU  84  17.567  -1.642   6.386
  616    HB2  GLU  84           HB2      GLU  84  15.573  -3.116   6.231
  617    HB3  GLU  84           HB1      GLU  84  15.859  -3.284   4.508
  618    HG2  GLU  84           HG2      GLU  84  16.645  -5.226   5.698
  619    HG3  GLU  84           HG1      GLU  84  18.003  -4.357   4.982
  620    H    ALA  85           HN       ALA  85  16.539  -1.811   2.984
  621    HA   ALA  85           HA       ALA  85  19.164  -2.584   2.139
  622    HB1  ALA  85           HB1      ALA  85  18.188  -2.792  -0.047
  623    HB2  ALA  85           HB2      ALA  85  16.720  -1.988   0.508
  624    HB3  ALA  85           HB3      ALA  85  17.167  -3.562   1.165
  625    H    ALA  86           HN       ALA  86  17.301   0.426   2.090
  626    HA   ALA  86           HA       ALA  86  19.450   1.552   0.464
  627    HB1  ALA  86           HB1      ALA  86  17.264   1.594  -0.636
  628    HB2  ALA  86           HB2      ALA  86  17.815   3.226  -0.254
  629    HB3  ALA  86           HB3      ALA  86  16.583   2.457   0.746
  630   H282  PNS  87          H28A      PNS  87  -7.189 -14.048  -4.997
  631   H281  PNS  87          H28B      PNS  87  -7.095 -12.839  -6.286
  632   H303  PNS  87          H30A      PNS  87  -6.743 -14.769  -7.859
  633   H302  PNS  87          H30B      PNS  87  -6.739 -15.901  -6.508
  634   H301  PNS  87          H30C      PNS  87  -5.376 -15.857  -7.626
  635   H313  PNS  87          H31A      PNS  87  -4.114 -12.557  -6.513
  636   H312  PNS  87          H31B      PNS  87  -5.203 -12.833  -7.873
  637   H311  PNS  87          H31C      PNS  87  -3.821 -13.901  -7.618
  638    H32  PNS  87          H32A      PNS  87  -4.094 -14.107  -4.547
  639    H33  PNS  87          H33A      PNS  87  -3.511 -15.688  -6.687
  640    H36  PNS  87          H36A      PNS  87  -3.466 -16.327  -3.578
  641   H372  PNS  87          H37A      PNS  87  -5.770 -17.214  -2.010
  642   H371  PNS  87          H37B      PNS  87  -4.926 -18.457  -2.922
  643   H382  PNS  87          H38A      PNS  87  -4.118 -18.437  -0.668
  644   H381  PNS  87          H38B      PNS  87  -2.835 -17.903  -1.754
  645    H41  PNS  87          H41A      PNS  87  -5.274 -15.577  -1.186
  646   H422  PNS  87          H42A      PNS  87  -4.509 -14.371   1.245
  647   H421  PNS  87          H42B      PNS  87  -3.588 -13.675  -0.069
  648   H431  PNS  87          H43A      PNS  87  -6.573 -13.640   0.190
  649   H432  PNS  87          H43B      PNS  87  -5.697 -13.273  -1.279
  650    H44  PNS  87           H1       PNS  87  -4.305 -11.179  -0.334
  Start of MODEL    4
    1    H1   MET   1           HT1      MET   1  20.463   6.617  -0.258
    2    H2   MET   1           HT2      MET   1  19.534   5.396   0.550
    3    H3   MET   1           HT3      MET   1  19.084   7.013   0.602
    4    HA   MET   1           HA       MET   1  18.600   7.136  -1.665
    5    HB2  MET   1           HB2      MET   1  18.761   5.206  -3.146
    6    HB3  MET   1           HB1      MET   1  20.334   5.566  -2.462
    7    HG2  MET   1           HG2      MET   1  20.151   3.707  -0.939
    8    HG3  MET   1           HG1      MET   1  18.496   3.397  -1.462
    9    HE1  MET   1           HE1      MET   1  22.290   3.386  -2.535
   10    HE2  MET   1           HE2      MET   1  21.544   4.410  -3.764
   11    HE3  MET   1           HE3      MET   1  22.186   2.829  -4.207
   12    H    ALA   2           HN       ALA   2  17.369   6.410   0.994
   13    HA   ALA   2           HA       ALA   2  15.022   5.110  -0.091
   14    HB1  ALA   2           HB1      ALA   2  14.857   3.600   1.786
   15    HB2  ALA   2           HB2      ALA   2  16.374   4.214   2.438
   16    HB3  ALA   2           HB3      ALA   2  16.361   3.335   0.906
   17    H    THR   3           HN       THR   3  13.719   6.800   0.099
   18    HA   THR   3           HA       THR   3  13.426   8.008   2.768
   19    HB   THR   3           HB       THR   3  12.042   9.711   1.456
   20    HG1  THR   3           HG1      THR   3  11.804   8.287  -0.330
   21   HG21  THR   3          HG21      THR   3  14.009  10.909   0.579
   22   HG22  THR   3          HG22      THR   3  14.961   9.429   0.697
   23   HG23  THR   3          HG23      THR   3  14.347  10.202   2.160
   24    H    LEU   4           HN       LEU   4  11.943   6.804   3.860
   25    HA   LEU   4           HA       LEU   4  10.070   5.266   2.458
   26    HB2  LEU   4           HB2      LEU   4   9.086   4.765   4.735
   27    HB3  LEU   4           HB1      LEU   4  10.701   4.211   4.364
   28    HG   LEU   4           HG       LEU   4  11.525   6.182   5.725
   29   HD11  LEU   4          HD11      LEU   4   9.972   7.089   7.365
   30   HD12  LEU   4          HD12      LEU   4   8.653   6.199   6.593
   31   HD13  LEU   4          HD13      LEU   4   9.481   7.486   5.715
   32   HD21  LEU   4          HD21      LEU   4  11.552   3.890   6.471
   33   HD22  LEU   4          HD22      LEU   4   9.892   4.037   7.039
   34   HD23  LEU   4          HD23      LEU   4  11.178   4.975   7.815
   35    H    LEU   5           HN       LEU   5   8.016   5.255   2.197
   36    HA   LEU   5           HA       LEU   5   6.915   7.791   1.590
   37    HB2  LEU   5           HB2      LEU   5   5.143   6.613   0.497
   38    HB3  LEU   5           HB1      LEU   5   6.650   5.834   0.128
   39    HG   LEU   5           HG       LEU   5   5.386   4.019   0.337
   40   HD11  LEU   5          HD11      LEU   5   5.367   2.907   2.500
   41   HD12  LEU   5          HD12      LEU   5   6.038   4.373   3.215
   42   HD13  LEU   5          HD13      LEU   5   6.929   3.496   1.962
   43   HD21  LEU   5          HD21      LEU   5   3.404   3.724   1.674
   44   HD22  LEU   5          HD22      LEU   5   3.309   5.119   0.599
   45   HD23  LEU   5          HD23      LEU   5   3.600   5.351   2.331
   46    H    THR   6           HN       THR   6   4.854   8.655   2.238
   47    HA   THR   6           HA       THR   6   4.515   8.321   5.094
   48    HB   THR   6           HB       THR   6   3.122  10.355   4.920
   49    HG1  THR   6           HG1      THR   6   3.863  10.440   2.163
   50   HG21  THR   6          HG21      THR   6   5.768  10.584   3.462
   51   HG22  THR   6          HG22      THR   6   5.554  10.595   5.210
   52   HG23  THR   6          HG23      THR   6   4.901  11.913   4.235
   53    H    THR   7           HN       THR   7   2.043   8.791   5.731
   54    HA   THR   7           HA       THR   7   0.466   6.567   4.971
   55    HB   THR   7           HB       THR   7  -0.506   9.177   6.176
   56    HG1  THR   7           HG1      THR   7   0.534   6.962   7.656
   57   HG21  THR   7          HG21      THR   7  -2.243   7.526   5.572
   58   HG22  THR   7          HG22      THR   7  -2.118   7.721   7.322
   59   HG23  THR   7          HG23      THR   7  -1.414   6.309   6.544
   60    H    ASP   8           HN       ASP   8   0.623   9.956   4.079
   61    HA   ASP   8           HA       ASP   8  -1.642  10.025   2.409
   62    HB2  ASP   8           HB2      ASP   8  -0.640  12.047   3.347
   63    HB3  ASP   8           HB1      ASP   8   0.811  11.785   2.385
   64    H    ASP   9           HN       ASP   9   1.792   9.443   1.744
   65    HA   ASP   9           HA       ASP   9   1.560   9.157  -1.071
   66    HB2  ASP   9           HB2      ASP   9   3.491   7.815   0.818
   67    HB3  ASP   9           HB1      ASP   9   3.550   7.602  -0.922
   68    H    LEU  10           HN       LEU  10   1.200   6.882   1.550
   69    HA   LEU  10           HA       LEU  10   0.759   4.553   0.077
   70    HB2  LEU  10           HB2      LEU  10   1.104   4.625   2.522
   71    HB3  LEU  10           HB1      LEU  10  -0.462   5.381   2.717
   72    HG   LEU  10           HG       LEU  10  -1.528   3.324   1.837
   73   HD11  LEU  10          HD11      LEU  10   0.313   2.477   0.499
   74   HD12  LEU  10          HD12      LEU  10  -0.206   1.273   1.678
   75   HD13  LEU  10          HD13      LEU  10   1.267   2.200   1.956
   76   HD21  LEU  10          HD21      LEU  10  -1.145   1.982   3.845
   77   HD22  LEU  10          HD22      LEU  10  -1.302   3.697   4.234
   78   HD23  LEU  10          HD23      LEU  10   0.289   2.941   4.207
   79    H    ARG  11           HN       ARG  11  -1.485   6.992   1.285
   80    HA   ARG  11           HA       ARG  11  -3.867   5.995   0.273
   81    HB2  ARG  11           HB2      ARG  11  -3.823   7.905   1.794
   82    HB3  ARG  11           HB1      ARG  11  -3.014   8.886   0.580
   83    HG2  ARG  11           HG2      ARG  11  -4.966   8.787  -0.850
   84    HG3  ARG  11           HG1      ARG  11  -5.780   7.735   0.302
   85    HD2  ARG  11           HD2      ARG  11  -6.611   9.978   0.550
   86    HD3  ARG  11           HD1      ARG  11  -5.683   9.539   1.976
   87    HE   ARG  11           HE       ARG  11  -3.827  10.867   0.757
   88   HH11  ARG  11          HH11      ARG  11  -7.300  11.648   0.740
   89   HH12  ARG  11          HH12      ARG  11  -7.055  13.316   0.596
   90   HH21  ARG  11          HH21      ARG  11  -3.511  13.143   0.580
   91   HH22  ARG  11          HH22      ARG  11  -4.844  14.221   0.424
   92    H    ARG  12           HN       ARG  12  -1.595   8.236  -1.260
   93    HA   ARG  12           HA       ARG  12  -2.991   8.648  -3.653
   94    HB2  ARG  12           HB2      ARG  12   0.000   8.646  -3.253
   95    HB3  ARG  12           HB1      ARG  12  -0.847   9.355  -4.620
   96    HG2  ARG  12           HG2      ARG  12  -1.961  10.912  -3.094
   97    HG3  ARG  12           HG1      ARG  12  -1.067  10.206  -1.751
   98    HD2  ARG  12           HD2      ARG  12   1.040  10.823  -2.927
   99    HD3  ARG  12           HD1      ARG  12   0.061  11.686  -4.118
  100    HE   ARG  12           HE       ARG  12  -0.115  12.337  -1.256
  101   HH11  ARG  12          HH11      ARG  12   0.588  13.446  -4.570
  102   HH12  ARG  12          HH12      ARG  12   0.684  15.079  -4.088
  103   HH21  ARG  12          HH21      ARG  12  -0.020  14.377  -0.690
  104   HH22  ARG  12          HH22      ARG  12   0.294  15.697  -1.754
  105    H    ALA  13           HN       ALA  13  -0.403   6.343  -2.962
  106    HA   ALA  13           HA       ALA  13  -0.299   5.209  -5.540
  107    HB1  ALA  13           HB1      ALA  13   0.522   3.996  -2.912
  108    HB2  ALA  13           HB2      ALA  13   1.513   5.056  -3.915
  109    HB3  ALA  13           HB3      ALA  13   1.038   3.466  -4.514
  110    H    LEU  14           HN       LEU  14  -2.313   4.580  -2.807
  111    HA   LEU  14           HA       LEU  14  -3.236   2.031  -3.755
  112    HB2  LEU  14           HB2      LEU  14  -2.926   2.772  -1.391
  113    HB3  LEU  14           HB1      LEU  14  -4.354   3.775  -1.565
  114    HG   LEU  14           HG       LEU  14  -5.649   1.675  -2.045
  115   HD11  LEU  14          HD11      LEU  14  -3.780   0.279  -2.755
  116   HD12  LEU  14          HD12      LEU  14  -4.636  -0.452  -1.399
  117   HD13  LEU  14          HD13      LEU  14  -3.095   0.359  -1.134
  118   HD21  LEU  14          HD21      LEU  14  -5.594   2.764   0.159
  119   HD22  LEU  14          HD22      LEU  14  -4.238   1.728   0.620
  120   HD23  LEU  14          HD23      LEU  14  -5.817   1.024   0.244
  121    H    VAL  15           HN       VAL  15  -4.454   5.377  -3.586
  122    HA   VAL  15           HA       VAL  15  -7.000   4.850  -4.684
  123    HB   VAL  15           HB       VAL  15  -5.426   7.467  -4.658
  124   HG11  VAL  15          HG11      VAL  15  -8.347   7.025  -5.298
  125   HG12  VAL  15          HG12      VAL  15  -7.104   7.506  -6.450
  126   HG13  VAL  15          HG13      VAL  15  -7.555   8.593  -5.136
  127   HG21  VAL  15          HG21      VAL  15  -6.944   8.081  -2.842
  128   HG22  VAL  15          HG22      VAL  15  -6.009   6.641  -2.443
  129   HG23  VAL  15          HG23      VAL  15  -7.698   6.491  -2.933
  130    H    GLU  16           HN       GLU  16  -3.888   5.598  -6.182
  131    HA   GLU  16           HA       GLU  16  -4.775   5.868  -8.809
  132    HB2  GLU  16           HB2      GLU  16  -2.183   4.693  -7.800
  133    HB3  GLU  16           HB1      GLU  16  -2.498   5.088  -9.481
  134    HG2  GLU  16           HG2      GLU  16  -2.338   6.982  -7.158
  135    HG3  GLU  16           HG1      GLU  16  -1.202   6.826  -8.498
  136    H    SER  17           HN       SER  17  -4.160   2.984  -6.902
  137    HA   SER  17           HA       SER  17  -4.448   1.114  -9.012
  138    HB2  SER  17           HB2      SER  17  -4.907   0.696  -6.055
  139    HB3  SER  17           HB1      SER  17  -4.508  -0.536  -7.255
  140    HG   SER  17           HG       SER  17  -2.793   0.506  -5.834
  141    H    ALA  18           HN       ALA  18  -6.629   2.678  -6.769
  142    HA   ALA  18           HA       ALA  18  -8.935   1.136  -7.338
  143    HB1  ALA  18           HB1      ALA  18 -10.184   3.006  -6.337
  144    HB2  ALA  18           HB2      ALA  18  -8.731   4.002  -6.393
  145    HB3  ALA  18           HB3      ALA  18  -8.783   2.579  -5.352
  146    H    GLY  19           HN       GLY  19  -7.744   4.242  -8.549
  147    HA2  GLY  19           HA2      GLY  19  -7.811   5.028 -10.730
  148    HA3  GLY  19           HA1      GLY  19  -8.724   3.597 -11.188
  149    H    GLU  20           HN       GLU  20  -9.777   5.521  -8.534
  150    HA   GLU  20           HA       GLU  20 -11.824   6.757 -10.219
  151    HB2  GLU  20           HB2      GLU  20 -12.245   5.610  -7.452
  152    HB3  GLU  20           HB1      GLU  20 -13.463   6.397  -8.444
  153    HG2  GLU  20           HG2      GLU  20 -13.211   4.576 -10.103
  154    HG3  GLU  20           HG1      GLU  20 -12.105   3.773  -8.990
  155    H    THR  21           HN       THR  21 -12.432   8.829  -9.529
  156    HA   THR  21           HA       THR  21 -10.441  10.128  -7.888
  157    HB   THR  21           HB       THR  21 -12.777  11.245  -9.336
  158    HG1  THR  21           HG1      THR  21 -10.225  11.587 -10.424
  159   HG21  THR  21          HG21      THR  21 -10.220  12.543  -8.361
  160   HG22  THR  21          HG22      THR  21 -11.836  12.771  -7.694
  161   HG23  THR  21          HG23      THR  21 -11.458  13.364  -9.311
  162    H    ASP  22           HN       ASP  22 -11.164   9.138  -6.053
  163    HA   ASP  22           HA       ASP  22 -13.143  10.673  -4.585
  164    HB2  ASP  22           HB2      ASP  22 -14.393   8.663  -5.455
  165    HB3  ASP  22           HB1      ASP  22 -13.235   7.631  -4.628
  166    H    GLY  23           HN       GLY  23 -12.709  10.526  -2.259
  167    HA2  GLY  23           HA2      GLY  23  -9.894   9.898  -1.825
  168    HA3  GLY  23           HA1      GLY  23 -10.925  10.844  -0.764
  169    H    THR  24           HN       THR  24 -12.897   8.396  -1.330
  170    HA   THR  24           HA       THR  24 -13.677   6.684  -0.033
  171    HB   THR  24           HB       THR  24 -10.835   5.748   0.332
  172    HG1  THR  24           HG1      THR  24 -11.973   6.571  -2.015
  173   HG21  THR  24          HG21      THR  24 -12.792   4.251   0.922
  174   HG22  THR  24          HG22      THR  24 -11.789   3.591  -0.362
  175   HG23  THR  24          HG23      THR  24 -13.313   4.376  -0.755
  176    H    ASP  25           HN       ASP  25 -12.133   5.436   2.209
  177    HA   ASP  25           HA       ASP  25 -12.330   7.695   4.083
  178    HB2  ASP  25           HB2      ASP  25 -12.170   4.714   4.670
  179    HB3  ASP  25           HB1      ASP  25 -12.220   5.965   5.900
  180    H    LEU  26           HN       LEU  26 -10.198   6.931   2.155
  181    HA   LEU  26           HA       LEU  26  -7.908   6.206   3.720
  182    HB2  LEU  26           HB2      LEU  26  -8.417   6.850   0.861
  183    HB3  LEU  26           HB1      LEU  26  -6.783   6.993   1.461
  184    HG   LEU  26           HG       LEU  26  -6.739   4.617   2.014
  185   HD11  LEU  26          HD11      LEU  26  -9.506   4.393   0.843
  186   HD12  LEU  26          HD12      LEU  26  -9.144   4.351   2.566
  187   HD13  LEU  26          HD13      LEU  26  -8.508   3.097   1.502
  188   HD21  LEU  26          HD21      LEU  26  -7.734   5.172  -0.765
  189   HD22  LEU  26          HD22      LEU  26  -6.847   3.737  -0.255
  190   HD23  LEU  26          HD23      LEU  26  -6.071   5.320  -0.195
  191    H    SER  27           HN       SER  27  -9.506   9.103   2.968
  192    HA   SER  27           HA       SER  27  -7.252  10.827   3.183
  193    HB2  SER  27           HB2      SER  27 -10.173  11.473   3.579
  194    HB3  SER  27           HB1      SER  27  -8.881  12.600   3.151
  195    HG   SER  27           HG       SER  27 -10.422  11.291   1.539
  196    H    GLY  28           HN       GLY  28  -6.141  10.732   5.021
  197    HA2  GLY  28           HA2      GLY  28  -6.126  11.744   7.273
  198    HA3  GLY  28           HA1      GLY  28  -7.619  10.850   7.569
  199    H    ASP  29           HN       ASP  29  -7.481   8.854   8.374
  200    HA   ASP  29           HA       ASP  29  -4.977   7.384   8.056
  201    HB2  ASP  29           HB2      ASP  29  -4.892   8.297  10.315
  202    HB3  ASP  29           HB1      ASP  29  -6.519   7.704  10.648
  203    H    PHE  30           HN       PHE  30  -5.232   5.284   7.623
  204    HA   PHE  30           HA       PHE  30  -7.885   4.050   7.778
  205    HB2  PHE  30           HB2      PHE  30  -7.835   3.483   5.367
  206    HB3  PHE  30           HB1      PHE  30  -7.922   5.218   5.635
  207    HD1  PHE  30           HD1      PHE  30  -5.701   6.544   5.447
  208    HD2  PHE  30           HD2      PHE  30  -6.189   2.580   3.987
  209    HE1  PHE  30           HE1      PHE  30  -3.762   6.856   3.966
  210    HE2  PHE  30           HE2      PHE  30  -4.249   2.887   2.514
  211    HZ   PHE  30           HZ       PHE  30  -3.035   5.025   2.502
  212    H    LEU  31           HN       LEU  31  -5.120   3.671   8.877
  213    HA   LEU  31           HA       LEU  31  -3.783   1.650   7.466
  214    HB2  LEU  31           HB2      LEU  31  -3.422   2.971  10.056
  215    HB3  LEU  31           HB1      LEU  31  -2.698   1.388   9.892
  216    HG   LEU  31           HG       LEU  31  -1.294   2.111   8.102
  217   HD11  LEU  31          HD11      LEU  31  -2.860   3.531   6.928
  218   HD12  LEU  31          HD12      LEU  31  -1.315   4.332   7.199
  219   HD13  LEU  31          HD13      LEU  31  -2.722   4.764   8.189
  220   HD21  LEU  31          HD21      LEU  31  -0.544   2.630  10.334
  221   HD22  LEU  31          HD22      LEU  31  -1.377   4.185  10.268
  222   HD23  LEU  31          HD23      LEU  31  -0.014   3.867   9.194
  223    H    ASP  32           HN       ASP  32  -6.121   1.306  10.077
  224    HA   ASP  32           HA       ASP  32  -5.631  -1.584   9.932
  225    HB2  ASP  32           HB2      ASP  32  -6.948   0.067  12.033
  226    HB3  ASP  32           HB1      ASP  32  -7.388  -1.626  11.877
  227    H    LEU  33           HN       LEU  33  -7.389   0.309   8.179
  228    HA   LEU  33           HA       LEU  33  -9.915  -1.070   8.302
  229    HB2  LEU  33           HB2      LEU  33  -8.762   0.964   6.385
  230    HB3  LEU  33           HB1      LEU  33 -10.278   0.162   6.062
  231    HG   LEU  33           HG       LEU  33 -11.239   1.177   8.105
  232   HD11  LEU  33          HD11      LEU  33  -8.637   2.675   8.310
  233   HD12  LEU  33          HD12      LEU  33  -9.238   1.464   9.442
  234   HD13  LEU  33          HD13      LEU  33 -10.096   2.993   9.251
  235   HD21  LEU  33          HD21      LEU  33 -10.022   3.130   6.165
  236   HD22  LEU  33          HD22      LEU  33 -11.383   3.458   7.239
  237   HD23  LEU  33          HD23      LEU  33 -11.538   2.252   5.960
  238    H    ARG  34           HN       ARG  34  -9.940  -3.115   7.724
  239    HA   ARG  34           HA       ARG  34  -7.992  -4.416   6.179
  240    HB2  ARG  34           HB2      ARG  34 -10.829  -5.240   6.707
  241    HB3  ARG  34           HB1      ARG  34  -9.692  -6.226   5.812
  242    HG2  ARG  34           HG2      ARG  34  -8.239  -6.213   7.835
  243    HG3  ARG  34           HG1      ARG  34  -9.573  -5.426   8.696
  244    HD2  ARG  34           HD2      ARG  34 -11.053  -7.255   8.116
  245    HD3  ARG  34           HD1      ARG  34  -9.760  -8.034   7.212
  246    HE   ARG  34           HE       ARG  34  -9.181  -7.502   9.963
  247   HH11  ARG  34          HH11      ARG  34 -10.333  -9.880   7.559
  248   HH12  ARG  34          HH12      ARG  34 -10.211 -11.203   8.625
  249   HH21  ARG  34          HH21      ARG  34  -8.973  -9.397  11.401
  250   HH22  ARG  34          HH22      ARG  34  -9.504 -10.920  10.803
  251    H    PHE  35           HN       PHE  35  -7.667  -4.764   4.125
  252    HA   PHE  35           HA       PHE  35  -8.952  -3.238   2.170
  253    HB2  PHE  35           HB2      PHE  35  -7.263  -5.711   1.883
  254    HB3  PHE  35           HB1      PHE  35  -7.782  -4.709   0.537
  255    HD1  PHE  35           HD2      PHE  35  -7.285  -2.092   0.991
  256    HD2  PHE  35           HD1      PHE  35  -5.146  -5.377   2.618
  257    HE1  PHE  35           HE2      PHE  35  -5.300  -0.666   1.268
  258    HE2  PHE  35           HE1      PHE  35  -3.166  -3.953   2.897
  259    HZ   PHE  35           HZ       PHE  35  -3.241  -1.605   2.216
  260    H    GLU  36           HN       GLU  36  -9.538  -6.407   3.372
  261    HA   GLU  36           HA       GLU  36 -11.260  -7.470   1.467
  262    HB2  GLU  36           HB2      GLU  36 -11.530  -7.710   4.461
  263    HB3  GLU  36           HB1      GLU  36 -12.184  -8.807   3.261
  264    HG2  GLU  36           HG2      GLU  36  -9.921  -9.430   2.607
  265    HG3  GLU  36           HG1      GLU  36  -9.277  -8.332   3.834
  266    H    ASP  37           HN       ASP  37 -11.987  -5.476   4.308
  267    HA   ASP  37           HA       ASP  37 -14.793  -5.408   3.833
  268    HB2  ASP  37           HB2      ASP  37 -13.930  -5.228   6.098
  269    HB3  ASP  37           HB1      ASP  37 -13.087  -3.739   5.684
  270    H    ILE  38           HN       ILE  38 -12.134  -3.209   3.141
  271    HA   ILE  38           HA       ILE  38 -14.001  -1.242   2.164
  272    HB   ILE  38           HB       ILE  38 -12.070   0.183   1.595
  273   HG12  ILE  38          HG12      ILE  38 -10.391  -2.105   2.676
  274   HG13  ILE  38          HG11      ILE  38 -10.454  -1.588   0.997
  275   HG21  ILE  38          HG21      ILE  38 -11.291   0.564   3.896
  276   HG22  ILE  38          HG22      ILE  38 -11.987  -0.988   4.369
  277   HG23  ILE  38          HG23      ILE  38 -13.037   0.315   3.810
  278   HD11  ILE  38          HD11      ILE  38  -8.443  -0.785   2.095
  279   HD12  ILE  38          HD12      ILE  38  -9.421   0.046   3.306
  280   HD13  ILE  38          HD13      ILE  38  -9.478   0.563   1.621
  281    H    GLY  39           HN       GLY  39 -13.517  -3.923   0.875
  282    HA2  GLY  39           HA2      GLY  39 -13.924  -4.778  -1.211
  283    HA3  GLY  39           HA1      GLY  39 -14.367  -3.152  -1.690
  284    H    TYR  40           HN       TYR  40 -11.145  -4.089  -0.563
  285    HA   TYR  40           HA       TYR  40 -10.138  -3.233  -3.127
  286    HB2  TYR  40           HB2      TYR  40  -9.115  -3.230  -0.407
  287    HB3  TYR  40           HB1      TYR  40  -7.982  -3.858  -1.610
  288    HD1  TYR  40           HD1      TYR  40 -10.150  -0.988  -0.827
  289    HD2  TYR  40           HD2      TYR  40  -6.792  -2.410  -3.004
  290    HE1  TYR  40           HE1      TYR  40  -9.636   1.294  -1.453
  291    HE2  TYR  40           HE2      TYR  40  -6.234  -0.108  -3.658
  292    HH   TYR  40           HH       TYR  40  -7.746   2.630  -2.238
  293    H    ASP  41           HN       ASP  41  -9.054  -4.414  -4.425
  294    HA   ASP  41           HA       ASP  41  -9.163  -7.315  -4.153
  295    HB2  ASP  41           HB2      ASP  41  -7.959  -5.659  -6.393
  296    HB3  ASP  41           HB1      ASP  41  -8.363  -7.368  -6.446
  297    H    SER  42           HN       SER  42  -7.257  -8.599  -3.985
  298    HA   SER  42           HA       SER  42  -5.065  -7.268  -2.787
  299    HB2  SER  42           HB2      SER  42  -5.309 -10.119  -3.740
  300    HB3  SER  42           HB1      SER  42  -4.036  -9.489  -2.678
  301    H    LEU  43           HN       LEU  43  -5.807  -8.366  -5.982
  302    HA   LEU  43           HA       LEU  43  -3.210  -7.922  -7.028
  303    HB2  LEU  43           HB2      LEU  43  -5.888  -8.130  -8.302
  304    HB3  LEU  43           HB1      LEU  43  -4.562  -7.476  -9.241
  305    HG   LEU  43           HG       LEU  43  -3.288  -9.568  -8.739
  306   HD11  LEU  43          HD11      LEU  43  -5.933 -10.563  -7.734
  307   HD12  LEU  43          HD12      LEU  43  -4.459 -10.345  -6.790
  308   HD13  LEU  43          HD13      LEU  43  -4.516 -11.556  -8.072
  309   HD21  LEU  43          HD21      LEU  43  -4.333  -9.175 -10.836
  310   HD22  LEU  43          HD22      LEU  43  -5.868  -9.819 -10.232
  311   HD23  LEU  43          HD23      LEU  43  -4.461 -10.883 -10.407
  312    H    ALA  44           HN       ALA  44  -5.743  -5.757  -6.148
  313    HA   ALA  44           HA       ALA  44  -4.694  -3.498  -7.551
  314    HB1  ALA  44           HB1      ALA  44  -6.225  -2.182  -6.152
  315    HB2  ALA  44           HB2      ALA  44  -6.538  -3.591  -5.146
  316    HB3  ALA  44           HB3      ALA  44  -7.057  -3.578  -6.833
  317    H    LEU  45           HN       LEU  45  -4.330  -4.971  -4.408
  318    HA   LEU  45           HA       LEU  45  -2.793  -2.989  -3.180
  319    HB2  LEU  45           HB2      LEU  45  -2.580  -5.973  -2.784
  320    HB3  LEU  45           HB1      LEU  45  -2.044  -4.743  -1.662
  321    HG   LEU  45           HG       LEU  45  -4.887  -5.324  -2.433
  322   HD11  LEU  45          HD11      LEU  45  -3.906  -7.004  -0.962
  323   HD12  LEU  45          HD12      LEU  45  -5.098  -6.029  -0.101
  324   HD13  LEU  45          HD13      LEU  45  -3.377  -5.736   0.143
  325   HD21  LEU  45          HD21      LEU  45  -4.524  -2.961  -2.078
  326   HD22  LEU  45          HD22      LEU  45  -3.712  -3.308  -0.553
  327   HD23  LEU  45          HD23      LEU  45  -5.438  -3.655  -0.732
  328    H    MET  46           HN       MET  46  -2.023  -5.792  -5.114
  329    HA   MET  46           HA       MET  46   0.768  -5.728  -5.081
  330    HB2  MET  46           HB2      MET  46  -1.064  -6.660  -7.305
  331    HB3  MET  46           HB1      MET  46   0.651  -7.029  -7.179
  332    HG2  MET  46           HG2      MET  46   0.294  -8.319  -5.192
  333    HG3  MET  46           HG1      MET  46  -1.385  -7.781  -5.116
  334    HE1  MET  46           HE1      MET  46  -0.619 -10.838  -4.873
  335    HE2  MET  46           HE2      MET  46  -1.815 -11.580  -5.935
  336    HE3  MET  46           HE3      MET  46  -2.285 -10.258  -4.866
  337    H    GLU  47           HN       GLU  47  -1.530  -4.191  -7.315
  338    HA   GLU  47           HA       GLU  47   0.381  -3.007  -9.002
  339    HB2  GLU  47           HB2      GLU  47  -2.092  -3.221  -9.459
  340    HB3  GLU  47           HB1      GLU  47  -2.350  -1.880  -8.352
  341    HG2  GLU  47           HG2      GLU  47  -0.865  -0.491  -9.778
  342    HG3  GLU  47           HG1      GLU  47  -0.813  -1.819 -10.933
  343    H    THR  48           HN       THR  48  -1.135  -1.933  -6.046
  344    HA   THR  48           HA       THR  48  -0.227   0.689  -5.834
  345    HB   THR  48           HB       THR  48  -0.662  -1.360  -3.641
  346    HG1  THR  48           HG1      THR  48  -2.579  -1.197  -4.678
  347   HG21  THR  48          HG21      THR  48   0.528   0.636  -2.830
  348   HG22  THR  48          HG22      THR  48  -1.117   0.583  -2.196
  349   HG23  THR  48          HG23      THR  48  -0.719   1.668  -3.530
  350    H    ALA  49           HN       ALA  49   1.198  -2.250  -4.347
  351    HA   ALA  49           HA       ALA  49   3.514  -0.972  -3.413
  352    HB1  ALA  49           HB1      ALA  49   2.709  -3.103  -2.506
  353    HB2  ALA  49           HB2      ALA  49   4.392  -3.213  -3.019
  354    HB3  ALA  49           HB3      ALA  49   3.117  -3.901  -4.025
  355    H    ALA  50           HN       ALA  50   2.813  -2.637  -6.434
  356    HA   ALA  50           HA       ALA  50   5.360  -2.812  -7.515
  357    HB1  ALA  50           HB1      ALA  50   4.282  -2.955  -9.676
  358    HB2  ALA  50           HB2      ALA  50   2.792  -2.293  -8.996
  359    HB3  ALA  50           HB3      ALA  50   3.374  -3.872  -8.471
  360    H    ARG  51           HN       ARG  51   3.085  -0.092  -7.645
  361    HA   ARG  51           HA       ARG  51   4.804   1.413  -9.366
  362    HB2  ARG  51           HB2      ARG  51   3.238   3.162  -9.287
  363    HB3  ARG  51           HB1      ARG  51   2.246   1.739  -9.046
  364    HG2  ARG  51           HG2      ARG  51   2.209   2.197  -6.625
  365    HG3  ARG  51           HG1      ARG  51   3.177   3.645  -6.902
  366    HD2  ARG  51           HD2      ARG  51   0.990   4.455  -6.800
  367    HD3  ARG  51           HD1      ARG  51   1.295   4.324  -8.530
  368    HE   ARG  51           HE       ARG  51  -0.422   2.627  -6.894
  369   HH11  ARG  51          HH11      ARG  51   0.717   3.487 -10.179
  370   HH12  ARG  51          HH12      ARG  51  -0.494   2.571 -10.945
  371   HH21  ARG  51          HH21      ARG  51  -2.075   1.438  -8.000
  372   HH22  ARG  51          HH22      ARG  51  -2.128   1.365  -9.676
  373    H    LEU  52           HN       LEU  52   4.575   0.916  -5.994
  374    HA   LEU  52           HA       LEU  52   6.094   3.225  -5.275
  375    HB2  LEU  52           HB2      LEU  52   5.340   0.777  -3.688
  376    HB3  LEU  52           HB1      LEU  52   6.204   2.151  -3.019
  377    HG   LEU  52           HG       LEU  52   3.414   2.233  -4.175
  378   HD11  LEU  52          HD11      LEU  52   4.357   2.397  -1.322
  379   HD12  LEU  52          HD12      LEU  52   3.498   1.044  -2.052
  380   HD13  LEU  52          HD13      LEU  52   2.697   2.607  -1.877
  381   HD21  LEU  52          HD21      LEU  52   3.354   4.513  -3.285
  382   HD22  LEU  52          HD22      LEU  52   4.610   4.326  -4.507
  383   HD23  LEU  52          HD23      LEU  52   5.044   4.363  -2.796
  384    H    GLU  53           HN       GLU  53   6.749  -0.117  -6.032
  385    HA   GLU  53           HA       GLU  53   9.385  -0.373  -5.223
  386    HB2  GLU  53           HB2      GLU  53   8.131  -1.360  -7.777
  387    HB3  GLU  53           HB1      GLU  53   9.686  -1.876  -7.167
  388    HG2  GLU  53           HG2      GLU  53   8.572  -2.844  -5.216
  389    HG3  GLU  53           HG1      GLU  53   7.010  -2.348  -5.890
  390    H    SER  54           HN       SER  54   8.158   0.683  -8.349
  391    HA   SER  54           HA       SER  54  10.657   1.363  -9.416
  392    HB2  SER  54           HB2      SER  54   8.623   0.833 -10.760
  393    HB3  SER  54           HB1      SER  54   7.941   2.383 -10.279
  394    HG   SER  54           HG       SER  54  10.445   2.127 -11.555
  395    H    ARG  55           HN       ARG  55   8.278   3.277  -7.633
  396    HA   ARG  55           HA       ARG  55   9.530   5.764  -8.230
  397    HB2  ARG  55           HB2      ARG  55   7.164   5.734  -7.556
  398    HB3  ARG  55           HB1      ARG  55   7.610   5.102  -5.979
  399    HG2  ARG  55           HG2      ARG  55   8.845   7.144  -5.491
  400    HG3  ARG  55           HG1      ARG  55   8.425   7.781  -7.074
  401    HD2  ARG  55           HD2      ARG  55   6.094   7.873  -6.472
  402    HD3  ARG  55           HD1      ARG  55   6.416   7.043  -4.942
  403    HE   ARG  55           HE       ARG  55   7.988   9.397  -5.250
  404   HH11  ARG  55          HH11      ARG  55   4.660   8.452  -4.264
  405   HH12  ARG  55          HH12      ARG  55   4.598   9.696  -3.093
  406   HH21  ARG  55          HH21      ARG  55   7.759  11.063  -3.789
  407   HH22  ARG  55          HH22      ARG  55   6.313  11.275  -2.878
  408    H    TYR  56           HN       TYR  56   9.764   3.568  -5.448
  409    HA   TYR  56           HA       TYR  56  11.590   5.464  -4.216
  410    HB2  TYR  56           HB2      TYR  56  10.109   3.130  -3.060
  411    HB3  TYR  56           HB1      TYR  56  11.322   4.060  -2.181
  412    HD1  TYR  56           HD1      TYR  56  10.905   6.436  -1.636
  413    HD2  TYR  56           HD2      TYR  56   7.950   3.998  -3.463
  414    HE1  TYR  56           HE1      TYR  56   9.177   8.057  -1.002
  415    HE2  TYR  56           HE2      TYR  56   6.220   5.611  -2.842
  416    HH   TYR  56           HH       TYR  56   6.960   8.728  -1.615
  417    H    GLY  57           HN       GLY  57  11.774   2.397  -5.788
  418    HA2  GLY  57           HA2      GLY  57  13.875   1.588  -6.499
  419    HA3  GLY  57           HA1      GLY  57  14.628   2.441  -5.160
  420    H    VAL  58           HN       VAL  58  11.939   0.147  -5.245
  421    HA   VAL  58           HA       VAL  58  13.573  -1.684  -3.670
  422    HB   VAL  58           HB       VAL  58  11.603  -2.370  -2.282
  423   HG11  VAL  58          HG11      VAL  58  11.687  -0.473  -0.742
  424   HG12  VAL  58          HG12      VAL  58  12.442   0.499  -2.007
  425   HG13  VAL  58          HG13      VAL  58  13.280  -0.910  -1.357
  426   HG21  VAL  58          HG21      VAL  58   9.798  -1.534  -3.701
  427   HG22  VAL  58          HG22      VAL  58  10.320   0.126  -3.409
  428   HG23  VAL  58          HG23      VAL  58   9.676  -0.839  -2.086
  429    H    SER  59           HN       SER  59  12.315  -3.891  -3.418
  430    HA   SER  59           HA       SER  59  11.008  -4.563  -5.926
  431    HB2  SER  59           HB2      SER  59  12.413  -6.678  -5.919
  432    HB3  SER  59           HB1      SER  59  13.318  -5.202  -6.263
  433    HG   SER  59           HG       SER  59  14.545  -6.141  -4.719
  434    H    ILE  60           HN       ILE  60   9.066  -5.286  -5.320
  435    HA   ILE  60           HA       ILE  60   8.881  -7.137  -3.065
  436    HB   ILE  60           HB       ILE  60   7.070  -4.718  -3.423
  437   HG12  ILE  60          HG12      ILE  60   8.891  -5.546  -1.142
  438   HG13  ILE  60          HG11      ILE  60   9.207  -4.254  -2.291
  439   HG21  ILE  60          HG21      ILE  60   5.821  -5.539  -1.468
  440   HG22  ILE  60          HG22      ILE  60   6.791  -7.012  -1.470
  441   HG23  ILE  60          HG23      ILE  60   5.721  -6.660  -2.826
  442   HD11  ILE  60          HD11      ILE  60   8.455  -3.388  -0.154
  443   HD12  ILE  60          HD12      ILE  60   6.971  -4.328  -0.284
  444   HD13  ILE  60          HD13      ILE  60   7.294  -3.026  -1.429
  445    HA   PRO  61           HA       PRO  61   6.954  -9.342  -6.439
  446    HB2  PRO  61           HB2      PRO  61   6.568 -11.340  -4.289
  447    HB3  PRO  61           HB1      PRO  61   7.367 -11.510  -5.855
  448    HG2  PRO  61           HG2      PRO  61   8.786 -11.400  -3.610
  449    HG3  PRO  61           HG1      PRO  61   9.354 -10.600  -5.088
  450    HD2  PRO  61           HD2      PRO  61   8.031  -9.423  -2.678
  451    HD3  PRO  61           HD1      PRO  61   9.413  -8.814  -3.615
  452    H    ASP  62           HN       ASP  62   4.946 -10.169  -6.986
  453    HA   ASP  62           HA       ASP  62   2.678  -8.778  -6.195
  454    HB2  ASP  62           HB2      ASP  62   2.945 -11.399  -7.665
  455    HB3  ASP  62           HB1      ASP  62   1.389 -10.643  -7.374
  456    H    ASP  63           HN       ASP  63   3.609 -12.094  -5.326
  457    HA   ASP  63           HA       ASP  63   1.306 -12.766  -3.903
  458    HB2  ASP  63           HB2      ASP  63   2.890 -14.479  -4.509
  459    HB3  ASP  63           HB1      ASP  63   4.144 -13.731  -3.526
  460    H    VAL  64           HN       VAL  64   4.220 -11.199  -2.817
  461    HA   VAL  64           HA       VAL  64   3.733 -11.134  -0.035
  462    HB   VAL  64           HB       VAL  64   5.195  -9.125  -1.728
  463   HG11  VAL  64          HG11      VAL  64   5.508  -9.864   1.192
  464   HG12  VAL  64          HG12      VAL  64   4.833  -8.359   0.565
  465   HG13  VAL  64          HG13      VAL  64   6.540  -8.728   0.322
  466   HG21  VAL  64          HG21      VAL  64   7.227 -10.454  -1.256
  467   HG22  VAL  64          HG22      VAL  64   6.035 -11.330  -2.214
  468   HG23  VAL  64          HG23      VAL  64   6.214 -11.683  -0.496
  469    H    ALA  65           HN       ALA  65   3.194  -8.694  -2.557
  470    HA   ALA  65           HA       ALA  65   1.962  -6.739  -0.930
  471    HB1  ALA  65           HB1      ALA  65   1.649  -7.199  -3.886
  472    HB2  ALA  65           HB2      ALA  65   2.948  -6.277  -3.131
  473    HB3  ALA  65           HB3      ALA  65   1.275  -5.713  -3.015
  474    H    GLY  66           HN       GLY  66   0.721  -9.640  -2.286
  475    HA2  GLY  66           HA2      GLY  66  -2.038  -8.784  -1.909
  476    HA3  GLY  66           HA1      GLY  66  -1.503 -10.320  -2.578
  477    H    ARG  67           HN       ARG  67   0.243  -9.651   0.222
  478    HA   ARG  67           HA       ARG  67  -1.583 -11.368   1.800
  479    HB2  ARG  67           HB2      ARG  67   1.385 -10.962   2.193
  480    HB3  ARG  67           HB1      ARG  67   0.359 -12.035   3.122
  481    HG2  ARG  67           HG2      ARG  67  -0.041 -13.359   1.096
  482    HG3  ARG  67           HG1      ARG  67   1.046 -12.284   0.213
  483    HD2  ARG  67           HD2      ARG  67   1.718 -14.119   2.499
  484    HD3  ARG  67           HD1      ARG  67   2.296 -14.212   0.839
  485    HE   ARG  67           HE       ARG  67   3.003 -11.979   2.638
  486   HH11  ARG  67          HH11      ARG  67   3.991 -14.270   0.111
  487   HH12  ARG  67          HH12      ARG  67   5.649 -13.987   0.339
  488   HH21  ARG  67          HH21      ARG  67   5.285 -11.573   2.890
  489   HH22  ARG  67          HH22      ARG  67   6.399 -12.453   1.947
  490    H    VAL  68           HN       VAL  68  -1.053  -8.240   1.505
  491    HA   VAL  68           HA       VAL  68  -0.608  -7.736   4.314
  492    HB   VAL  68           HB       VAL  68  -0.665  -5.272   3.682
  493   HG11  VAL  68          HG11      VAL  68   1.345  -7.028   2.275
  494   HG12  VAL  68          HG12      VAL  68   1.420  -6.500   3.955
  495   HG13  VAL  68          HG13      VAL  68   1.557  -5.319   2.649
  496   HG21  VAL  68          HG21      VAL  68  -1.936  -5.418   1.582
  497   HG22  VAL  68          HG22      VAL  68  -0.634  -6.396   0.881
  498   HG23  VAL  68          HG23      VAL  68  -0.331  -4.718   1.314
  499    H    ASP  69           HN       ASP  69  -2.138  -8.066   5.539
  500    HA   ASP  69           HA       ASP  69  -4.863  -8.269   5.140
  501    HB2  ASP  69           HB2      ASP  69  -3.629  -9.106   7.099
  502    HB3  ASP  69           HB1      ASP  69  -3.402  -7.462   7.658
  503    H    THR  70           HN       THR  70  -3.117  -5.458   6.458
  504    HA   THR  70           HA       THR  70  -5.387  -3.768   5.759
  505    HB   THR  70           HB       THR  70  -4.786  -2.489   7.880
  506    HG1  THR  70           HG1      THR  70  -3.875  -4.240   9.433
  507   HG21  THR  70          HG21      THR  70  -6.103  -3.987   9.317
  508   HG22  THR  70          HG22      THR  70  -5.862  -5.296   8.161
  509   HG23  THR  70          HG23      THR  70  -6.804  -3.876   7.700
  510    HA   PRO  71           HA       PRO  71  -2.543  -0.918   3.869
  511    HB2  PRO  71           HB2      PRO  71  -3.601   1.175   5.704
  512    HB3  PRO  71           HB1      PRO  71  -3.439   1.200   3.943
  513    HG2  PRO  71           HG2      PRO  71  -5.807   0.823   5.007
  514    HG3  PRO  71           HG1      PRO  71  -5.297  -0.173   3.628
  515    HD2  PRO  71           HD2      PRO  71  -5.376  -0.871   6.536
  516    HD3  PRO  71           HD1      PRO  71  -5.865  -1.846   5.134
  517    H    ARG  72           HN       ARG  72  -2.641  -0.891   7.401
  518    HA   ARG  72           HA       ARG  72  -0.273   0.561   7.799
  519    HB2  ARG  72           HB2      ARG  72  -0.195  -0.378  10.052
  520    HB3  ARG  72           HB1      ARG  72  -1.855   0.017   9.638
  521    HG2  ARG  72           HG2      ARG  72  -2.313  -2.323   9.181
  522    HG3  ARG  72           HG1      ARG  72  -0.637  -2.730   9.547
  523    HD2  ARG  72           HD2      ARG  72  -2.696  -1.612  11.431
  524    HD3  ARG  72           HD1      ARG  72  -2.034  -3.248  11.428
  525    HE   ARG  72           HE       ARG  72  -0.727  -0.793  12.271
  526   HH11  ARG  72          HH11      ARG  72  -0.184  -4.243  11.620
  527   HH12  ARG  72          HH12      ARG  72   0.754  -4.519  13.005
  528   HH21  ARG  72          HH21      ARG  72   0.708  -1.170  14.172
  529   HH22  ARG  72          HH22      ARG  72   1.286  -2.736  14.476
  530    H    GLU  73           HN       GLU  73  -0.929  -2.787   7.025
  531    HA   GLU  73           HA       GLU  73   1.671  -3.837   7.521
  532    HB2  GLU  73           HB2      GLU  73  -0.520  -4.903   5.728
  533    HB3  GLU  73           HB1      GLU  73   0.853  -5.809   6.338
  534    HG2  GLU  73           HG2      GLU  73  -1.405  -4.690   7.987
  535    HG3  GLU  73           HG1      GLU  73  -1.216  -6.369   7.497
  536    H    LEU  74           HN       LEU  74  -0.142  -2.699   4.729
  537    HA   LEU  74           HA       LEU  74   1.796  -3.247   2.726
  538    HB2  LEU  74           HB2      LEU  74  -0.747  -2.572   2.588
  539    HB3  LEU  74           HB1      LEU  74  -0.135  -0.937   2.567
  540    HG   LEU  74           HG       LEU  74   0.419  -3.073   0.487
  541   HD11  LEU  74          HD11      LEU  74  -0.964  -1.712  -0.976
  542   HD12  LEU  74          HD12      LEU  74  -1.315  -0.632   0.373
  543   HD13  LEU  74          HD13      LEU  74  -1.853  -2.312   0.426
  544   HD21  LEU  74          HD21      LEU  74   1.425  -1.282  -0.860
  545   HD22  LEU  74          HD22      LEU  74   2.302  -1.497   0.658
  546   HD23  LEU  74          HD23      LEU  74   1.187  -0.146   0.471
  547    H    LEU  75           HN       LEU  75   1.131  -0.423   4.736
  548    HA   LEU  75           HA       LEU  75   3.024   1.366   3.715
  549    HB2  LEU  75           HB2      LEU  75   1.234   1.985   5.280
  550    HB3  LEU  75           HB1      LEU  75   2.000   1.047   6.541
  551    HG   LEU  75           HG       LEU  75   3.933   2.617   6.478
  552   HD11  LEU  75          HD11      LEU  75   3.671   4.764   5.345
  553   HD12  LEU  75          HD12      LEU  75   2.173   4.195   4.611
  554   HD13  LEU  75          HD13      LEU  75   3.706   3.424   4.201
  555   HD21  LEU  75          HD21      LEU  75   2.160   2.889   8.121
  556   HD22  LEU  75          HD22      LEU  75   1.238   3.872   6.984
  557   HD23  LEU  75          HD23      LEU  75   2.782   4.456   7.604
  558    H    ASP  76           HN       ASP  76   3.235  -0.853   6.487
  559    HA   ASP  76           HA       ASP  76   5.921  -0.352   7.117
  560    HB2  ASP  76           HB2      ASP  76   4.356  -1.436   8.684
  561    HB3  ASP  76           HB1      ASP  76   4.328  -2.866   7.656
  562    H    LEU  77           HN       LEU  77   4.437  -2.695   4.990
  563    HA   LEU  77           HA       LEU  77   6.584  -4.294   4.306
  564    HB2  LEU  77           HB2      LEU  77   4.301  -4.746   3.595
  565    HB3  LEU  77           HB1      LEU  77   4.289  -3.305   2.612
  566    HG   LEU  77           HG       LEU  77   5.901  -4.312   1.084
  567   HD11  LEU  77          HD11      LEU  77   5.694  -6.739   2.867
  568   HD12  LEU  77          HD12      LEU  77   7.116  -5.715   2.677
  569   HD13  LEU  77          HD13      LEU  77   6.530  -6.668   1.316
  570   HD21  LEU  77          HD21      LEU  77   3.534  -6.078   1.672
  571   HD22  LEU  77          HD22      LEU  77   4.446  -6.055   0.165
  572   HD23  LEU  77          HD23      LEU  77   3.533  -4.630   0.666
  573    H    ILE  78           HN       ILE  78   5.572  -1.247   2.788
  574    HA   ILE  78           HA       ILE  78   7.818  -1.154   1.014
  575    HB   ILE  78           HB       ILE  78   6.005   1.115   1.901
  576   HG12  ILE  78          HG12      ILE  78   4.756  -0.724   0.826
  577   HG13  ILE  78          HG11      ILE  78   4.750   0.733  -0.158
  578   HG21  ILE  78          HG21      ILE  78   6.716   2.255  -0.139
  579   HG22  ILE  78          HG22      ILE  78   7.858   0.952  -0.494
  580   HG23  ILE  78          HG23      ILE  78   8.080   1.966   0.936
  581   HD11  ILE  78          HD11      ILE  78   6.467  -1.705  -0.599
  582   HD12  ILE  78          HD12      ILE  78   6.496  -0.247  -1.581
  583   HD13  ILE  78          HD13      ILE  78   5.041  -1.245  -1.532
  584    H    ASN  79           HN       ASN  79   7.026   0.408   4.109
  585    HA   ASN  79           HA       ASN  79   9.226   2.090   4.443
  586    HB2  ASN  79           HB2      ASN  79   7.755   0.516   6.571
  587    HB3  ASN  79           HB1      ASN  79   8.962   1.732   6.930
  588   HD21  ASN  79          HD21      ASN  79   7.955   3.424   4.703
  589   HD22  ASN  79          HD22      ASN  79   6.500   4.141   5.303
  590    H    GLY  80           HN       GLY  80   8.905  -1.264   5.540
  591    HA2  GLY  80           HA2      GLY  80  11.481  -1.499   6.613
  592    HA3  GLY  80           HA1      GLY  80  10.425  -2.823   6.145
  593    H    ALA  81           HN       ALA  81  10.238  -2.229   3.384
  594    HA   ALA  81           HA       ALA  81  12.552  -3.497   2.419
  595    HB1  ALA  81           HB1      ALA  81  11.654  -3.040   0.185
  596    HB2  ALA  81           HB2      ALA  81  10.496  -1.904   0.879
  597    HB3  ALA  81           HB3      ALA  81  10.390  -3.617   1.272
  598    H    LEU  82           HN       LEU  82  11.587  -0.144   2.570
  599    HA   LEU  82           HA       LEU  82  13.844   0.857   1.168
  600    HB2  LEU  82           HB2      LEU  82  11.807   2.157   2.954
  601    HB3  LEU  82           HB1      LEU  82  13.138   3.059   2.250
  602    HG   LEU  82           HG       LEU  82  11.147   1.514   0.589
  603   HD11  LEU  82          HD11      LEU  82  10.129   3.665   0.088
  604   HD12  LEU  82          HD12      LEU  82  11.208   4.454   1.240
  605   HD13  LEU  82          HD13      LEU  82  10.002   3.302   1.806
  606   HD21  LEU  82          HD21      LEU  82  12.059   2.834  -1.221
  607   HD22  LEU  82          HD22      LEU  82  13.341   1.934  -0.414
  608   HD23  LEU  82          HD23      LEU  82  13.143   3.659  -0.104
  609    H    ALA  83           HN       ALA  83  13.054   0.583   4.611
  610    HA   ALA  83           HA       ALA  83  15.429   1.645   5.633
  611    HB1  ALA  83           HB1      ALA  83  13.716  -0.541   6.813
  612    HB2  ALA  83           HB2      ALA  83  13.442   1.192   6.993
  613    HB3  ALA  83           HB3      ALA  83  14.880   0.452   7.692
  614    H    GLU  84           HN       GLU  84  14.675  -1.548   4.460
  615    HA   GLU  84           HA       GLU  84  16.988  -2.928   5.242
  616    HB2  GLU  84           HB2      GLU  84  14.889  -3.956   4.430
  617    HB3  GLU  84           HB1      GLU  84  15.219  -3.332   2.824
  618    HG2  GLU  84           HG2      GLU  84  17.259  -4.711   2.758
  619    HG3  GLU  84           HG1      GLU  84  16.818  -5.375   4.334
  620    H    ALA  85           HN       ALA  85  16.182  -1.111   2.317
  621    HA   ALA  85           HA       ALA  85  18.624  -1.656   0.964
  622    HB1  ALA  85           HB1      ALA  85  16.623   0.548   0.447
  623    HB2  ALA  85           HB2      ALA  85  16.558  -1.079  -0.233
  624    HB3  ALA  85           HB3      ALA  85  17.884   0.002  -0.661
  625    H    ALA  86           HN       ALA  86  17.401   1.217   2.631
  626    HA   ALA  86           HA       ALA  86  18.332   2.985   3.616
  627    HB1  ALA  86           HB1      ALA  86  20.898   1.389   3.735
  628    HB2  ALA  86           HB2      ALA  86  19.594   1.311   4.920
  629    HB3  ALA  86           HB3      ALA  86  20.496   2.810   4.705
  630   H282  PNS  87          H28A      PNS  87  -8.227 -12.348  -3.734
  631   H281  PNS  87          H28B      PNS  87  -9.478 -11.382  -2.953
  632   H303  PNS  87          H30A      PNS  87 -10.680 -11.964  -6.370
  633   H302  PNS  87          H30B      PNS  87 -11.008 -12.219  -4.654
  634   H301  PNS  87          H30C      PNS  87  -9.691 -13.091  -5.442
  635   H313  PNS  87          H31A      PNS  87  -9.407  -8.931  -4.645
  636   H312  PNS  87          H31B      PNS  87 -10.864  -9.838  -4.241
  637   H311  PNS  87          H31C      PNS  87 -10.481  -9.487  -5.928
  638    H32  PNS  87          H32A      PNS  87  -7.362 -11.649  -6.020
  639    H33  PNS  87          H33A      PNS  87  -7.920  -9.162  -6.780
  640    H36  PNS  87          H36A      PNS  87  -8.577 -12.827  -7.667
  641   H372  PNS  87          H37A      PNS  87 -10.380 -12.171  -9.474
  642   H371  PNS  87          H37B      PNS  87  -8.988 -11.271 -10.087
  643   H382  PNS  87          H38A      PNS  87  -9.059 -14.259  -9.561
  644   H381  PNS  87          H38B      PNS  87  -9.410 -13.519 -11.096
  645    H41  PNS  87          H41A      PNS  87  -7.770 -14.836 -11.885
  646   H422  PNS  87          H42A      PNS  87  -5.238 -13.503 -12.131
  647   H421  PNS  87          H42B      PNS  87  -5.138 -15.102 -11.378
  648   H431  PNS  87          H43A      PNS  87  -6.133 -16.098 -13.329
  649   H432  PNS  87          H43B      PNS  87  -4.755 -15.117 -13.852
  650    H44  PNS  87           H1       PNS  87  -6.764 -14.797 -15.748
  Start of MODEL    5
    1    H1   MET   1           HT1      MET   1  20.623   6.615   1.412
    2    H2   MET   1           HT2      MET   1  19.416   5.912   0.459
    3    H3   MET   1           HT3      MET   1  19.747   5.276   1.996
    4    HA   MET   1           HA       MET   1  18.994   7.237   3.057
    5    HB2  MET   1           HB2      MET   1  19.606   8.833   1.276
    6    HB3  MET   1           HB1      MET   1  18.338   8.181   0.248
    7    HG2  MET   1           HG2      MET   1  16.647   8.954   1.822
    8    HG3  MET   1           HG1      MET   1  17.907   9.569   2.886
    9    HE1  MET   1           HE1      MET   1  19.475  11.642   2.285
   10    HE2  MET   1           HE2      MET   1  19.426  12.484   0.736
   11    HE3  MET   1           HE3      MET   1  19.983  10.812   0.815
   12    H    ALA   2           HN       ALA   2  17.432   6.183   4.030
   13    HA   ALA   2           HA       ALA   2  15.444   4.809   2.425
   14    HB1  ALA   2           HB1      ALA   2  14.732   3.737   4.478
   15    HB2  ALA   2           HB2      ALA   2  15.804   4.775   5.418
   16    HB3  ALA   2           HB3      ALA   2  16.482   3.597   4.291
   17    H    THR   3           HN       THR   3  14.363   6.619   1.595
   18    HA   THR   3           HA       THR   3  12.943   8.363   3.359
   19    HB   THR   3           HB       THR   3  12.032   8.997   0.986
   20    HG1  THR   3           HG1      THR   3  13.270   8.306  -0.676
   21   HG21  THR   3          HG21      THR   3  14.936   9.392   1.731
   22   HG22  THR   3          HG22      THR   3  13.585  10.377   2.292
   23   HG23  THR   3          HG23      THR   3  14.029  10.380   0.588
   24    H    LEU   4           HN       LEU   4  11.215   7.477   4.331
   25    HA   LEU   4           HA       LEU   4   9.857   5.226   3.100
   26    HB2  LEU   4           HB2      LEU   4   9.441   6.475   5.809
   27    HB3  LEU   4           HB1      LEU   4   8.775   4.955   5.252
   28    HG   LEU   4           HG       LEU   4  11.681   5.547   5.806
   29   HD11  LEU   4          HD11      LEU   4  11.418   3.907   7.592
   30   HD12  LEU   4          HD12      LEU   4   9.704   3.767   7.208
   31   HD13  LEU   4          HD13      LEU   4  10.350   5.295   7.808
   32   HD21  LEU   4          HD21      LEU   4  11.473   4.010   3.918
   33   HD22  LEU   4          HD22      LEU   4  10.393   2.985   4.862
   34   HD23  LEU   4          HD23      LEU   4  12.077   3.172   5.347
   35    H    LEU   5           HN       LEU   5   7.532   5.200   3.019
   36    HA   LEU   5           HA       LEU   5   6.432   7.575   1.901
   37    HB2  LEU   5           HB2      LEU   5   5.132   5.000   2.749
   38    HB3  LEU   5           HB1      LEU   5   4.329   6.280   1.868
   39    HG   LEU   5           HG       LEU   5   6.661   4.684   0.837
   40   HD11  LEU   5          HD11      LEU   5   4.648   3.330   1.121
   41   HD12  LEU   5          HD12      LEU   5   4.977   3.626  -0.587
   42   HD13  LEU   5          HD13      LEU   5   3.705   4.529   0.234
   43   HD21  LEU   5          HD21      LEU   5   4.818   6.665  -0.491
   44   HD22  LEU   5          HD22      LEU   5   6.060   5.696  -1.288
   45   HD23  LEU   5          HD23      LEU   5   6.525   6.916  -0.101
   46    H    THR   6           HN       THR   6   4.927   8.923   2.768
   47    HA   THR   6           HA       THR   6   4.477   8.771   5.607
   48    HB   THR   6           HB       THR   6   3.042  10.835   5.145
   49    HG1  THR   6           HG1      THR   6   4.365  10.800   2.633
   50   HG21  THR   6          HG21      THR   6   5.343  11.026   5.984
   51   HG22  THR   6          HG22      THR   6   4.980  12.326   4.848
   52   HG23  THR   6          HG23      THR   6   5.958  10.950   4.333
   53    H    THR   7           HN       THR   7   1.956   9.357   6.088
   54    HA   THR   7           HA       THR   7   0.518   7.083   5.282
   55    HB   THR   7           HB       THR   7  -0.520   9.617   6.575
   56    HG1  THR   7           HG1      THR   7   0.115   8.505   8.554
   57   HG21  THR   7          HG21      THR   7  -2.196   7.909   5.969
   58   HG22  THR   7          HG22      THR   7  -2.025   8.042   7.721
   59   HG23  THR   7          HG23      THR   7  -1.278   6.697   6.862
   60    H    ASP   8           HN       ASP   8   0.633  10.478   4.419
   61    HA   ASP   8           HA       ASP   8  -1.638  10.621   2.786
   62    HB2  ASP   8           HB2      ASP   8  -0.475  12.585   3.695
   63    HB3  ASP   8           HB1      ASP   8   0.856  12.291   2.574
   64    H    ASP   9           HN       ASP   9   1.774  10.014   1.924
   65    HA   ASP   9           HA       ASP   9   1.145  10.017  -0.853
   66    HB2  ASP   9           HB2      ASP   9   3.492  10.376   0.136
   67    HB3  ASP   9           HB1      ASP   9   3.566   8.620   0.291
   68    H    LEU  10           HN       LEU  10   1.236   7.543   1.599
   69    HA   LEU  10           HA       LEU  10   0.843   5.349  -0.169
   70    HB2  LEU  10           HB2      LEU  10   1.599   5.066   2.169
   71    HB3  LEU  10           HB1      LEU  10   0.040   5.631   2.738
   72    HG   LEU  10           HG       LEU  10  -1.004   3.656   1.597
   73   HD11  LEU  10          HD11      LEU  10   0.419   1.771   0.992
   74   HD12  LEU  10          HD12      LEU  10   1.850   2.765   1.262
   75   HD13  LEU  10          HD13      LEU  10   0.717   3.181  -0.025
   76   HD21  LEU  10          HD21      LEU  10  -0.327   2.050   3.316
   77   HD22  LEU  10          HD22      LEU  10  -0.581   3.660   3.992
   78   HD23  LEU  10          HD23      LEU  10   1.056   3.067   3.716
   79    H    ARG  11           HN       ARG  11  -1.281   7.533   1.582
   80    HA   ARG  11           HA       ARG  11  -3.766   6.478   0.910
   81    HB2  ARG  11           HB2      ARG  11  -3.447   8.327   2.531
   82    HB3  ARG  11           HB1      ARG  11  -2.981   9.396   1.220
   83    HG2  ARG  11           HG2      ARG  11  -5.221   9.214   0.270
   84    HG3  ARG  11           HG1      ARG  11  -5.687   8.122   1.571
   85    HD2  ARG  11           HD2      ARG  11  -6.497  10.340   2.072
   86    HD3  ARG  11           HD1      ARG  11  -5.216   9.919   3.203
   87    HE   ARG  11           HE       ARG  11  -3.735  11.387   1.931
   88   HH11  ARG  11          HH11      ARG  11  -7.222  11.820   1.436
   89   HH12  ARG  11          HH12      ARG  11  -7.081  13.391   0.806
   90   HH21  ARG  11          HH21      ARG  11  -3.563  13.558   1.237
   91   HH22  ARG  11          HH22      ARG  11  -4.945  14.449   0.737
   92    H    ARG  12           HN       ARG  12  -1.831   8.912  -0.777
   93    HA   ARG  12           HA       ARG  12  -3.515   9.208  -3.000
   94    HB2  ARG  12           HB2      ARG  12  -0.508   9.568  -2.908
   95    HB3  ARG  12           HB1      ARG  12  -1.564  10.146  -4.193
   96    HG2  ARG  12           HG2      ARG  12  -2.763  11.494  -2.453
   97    HG3  ARG  12           HG1      ARG  12  -1.472  11.060  -1.338
   98    HD2  ARG  12           HD2      ARG  12  -1.133  12.515  -3.954
   99    HD3  ARG  12           HD1      ARG  12  -1.137  13.262  -2.362
  100    HE   ARG  12           HE       ARG  12   0.858  11.230  -2.628
  101   HH11  ARG  12          HH11      ARG  12   0.131  14.659  -3.260
  102   HH12  ARG  12          HH12      ARG  12   1.765  15.124  -3.342
  103   HH21  ARG  12          HH21      ARG  12   3.120  11.895  -2.718
  104   HH22  ARG  12          HH22      ARG  12   3.482  13.548  -3.003
  105    H    ALA  13           HN       ALA  13  -0.767   7.095  -2.490
  106    HA   ALA  13           HA       ALA  13  -0.469   5.801  -4.902
  107    HB1  ALA  13           HB1      ALA  13   0.401   3.920  -3.632
  108    HB2  ALA  13           HB2      ALA  13  -0.329   4.563  -2.159
  109    HB3  ALA  13           HB3      ALA  13   0.967   5.449  -2.962
  110    H    LEU  14           HN       LEU  14  -2.568   4.936  -2.253
  111    HA   LEU  14           HA       LEU  14  -3.546   2.631  -3.564
  112    HB2  LEU  14           HB2      LEU  14  -3.063   2.856  -1.296
  113    HB3  LEU  14           HB1      LEU  14  -4.351   4.017  -1.034
  114    HG   LEU  14           HG       LEU  14  -6.013   2.233  -1.725
  115   HD11  LEU  14          HD11      LEU  14  -4.499   0.799  -2.967
  116   HD12  LEU  14          HD12      LEU  14  -5.293  -0.097  -1.673
  117   HD13  LEU  14          HD13      LEU  14  -3.619   0.422  -1.486
  118   HD21  LEU  14          HD21      LEU  14  -5.630   2.767   0.621
  119   HD22  LEU  14          HD22      LEU  14  -4.303   1.605   0.677
  120   HD23  LEU  14          HD23      LEU  14  -5.957   1.049   0.410
  121    H    VAL  15           HN       VAL  15  -4.681   5.935  -3.245
  122    HA   VAL  15           HA       VAL  15  -7.291   5.385  -4.303
  123    HB   VAL  15           HB       VAL  15  -5.713   8.004  -4.278
  124   HG11  VAL  15          HG11      VAL  15  -7.413   8.023  -6.049
  125   HG12  VAL  15          HG12      VAL  15  -7.859   9.116  -4.738
  126   HG13  VAL  15          HG13      VAL  15  -8.641   7.543  -4.878
  127   HG21  VAL  15          HG21      VAL  15  -7.955   7.030  -2.509
  128   HG22  VAL  15          HG22      VAL  15  -7.205   8.623  -2.435
  129   HG23  VAL  15          HG23      VAL  15  -6.260   7.184  -2.049
  130    H    GLU  16           HN       GLU  16  -4.221   6.503  -5.654
  131    HA   GLU  16           HA       GLU  16  -5.003   6.681  -8.325
  132    HB2  GLU  16           HB2      GLU  16  -2.284   6.178  -7.111
  133    HB3  GLU  16           HB1      GLU  16  -2.546   6.476  -8.822
  134    HG2  GLU  16           HG2      GLU  16  -3.496   8.672  -8.297
  135    HG3  GLU  16           HG1      GLU  16  -3.218   8.376  -6.582
  136    H    SER  17           HN       SER  17  -4.291   3.898  -6.414
  137    HA   SER  17           HA       SER  17  -3.734   2.092  -8.535
  138    HB2  SER  17           HB2      SER  17  -4.904   1.502  -5.800
  139    HB3  SER  17           HB1      SER  17  -4.187   0.321  -6.894
  140    HG   SER  17           HG       SER  17  -2.717   2.583  -6.038
  141    H    ALA  18           HN       ALA  18  -6.725   2.890  -6.779
  142    HA   ALA  18           HA       ALA  18  -8.415   1.158  -8.239
  143    HB1  ALA  18           HB1      ALA  18  -9.015   2.035  -6.022
  144    HB2  ALA  18           HB2      ALA  18 -10.257   2.410  -7.217
  145    HB3  ALA  18           HB3      ALA  18  -9.128   3.660  -6.696
  146    H    GLY  19           HN       GLY  19  -7.907   4.648  -8.418
  147    HA2  GLY  19           HA2      GLY  19  -7.684   5.942 -10.322
  148    HA3  GLY  19           HA1      GLY  19  -8.030   4.526 -11.294
  149    H    GLU  20           HN       GLU  20 -10.382   3.811 -11.160
  150    HA   GLU  20           HA       GLU  20 -11.960   6.253 -11.615
  151    HB2  GLU  20           HB2      GLU  20 -12.159   3.551 -12.917
  152    HB3  GLU  20           HB1      GLU  20 -13.293   4.860 -13.186
  153    HG2  GLU  20           HG2      GLU  20 -10.345   4.966 -13.801
  154    HG3  GLU  20           HG1      GLU  20 -11.617   4.632 -14.971
  155    H    THR  21           HN       THR  21 -13.279   6.628  -9.982
  156    HA   THR  21           HA       THR  21 -15.259   6.573  -8.939
  157    HB   THR  21           HB       THR  21 -15.645   3.855 -10.071
  158    HG1  THR  21           HG1      THR  21 -16.192   6.493 -11.002
  159   HG21  THR  21          HG21      THR  21 -17.639   5.886  -9.032
  160   HG22  THR  21          HG22      THR  21 -17.214   4.357  -8.268
  161   HG23  THR  21          HG23      THR  21 -18.073   4.363  -9.810
  162    H    ASP  22           HN       ASP  22 -14.790   6.610  -6.984
  163    HA   ASP  22           HA       ASP  22 -15.077   6.115  -4.793
  164    HB2  ASP  22           HB2      ASP  22 -17.032   4.787  -5.731
  165    HB3  ASP  22           HB1      ASP  22 -16.019   3.358  -5.643
  166    H    GLY  23           HN       GLY  23 -14.706   3.706  -3.375
  167    HA2  GLY  23           HA2      GLY  23 -12.725   2.203  -3.137
  168    HA3  GLY  23           HA1      GLY  23 -11.802   3.720  -3.224
  169    H    THR  24           HN       THR  24 -12.724   5.499  -1.940
  170    HA   THR  24           HA       THR  24 -14.464   5.639  -0.020
  171    HB   THR  24           HB       THR  24 -13.459   3.770   1.305
  172    HG1  THR  24           HG1      THR  24 -14.088   5.014   2.907
  173   HG21  THR  24          HG21      THR  24 -11.171   3.907   2.213
  174   HG22  THR  24          HG22      THR  24 -10.901   5.390   1.300
  175   HG23  THR  24          HG23      THR  24 -11.166   3.863   0.451
  176    H    ASP  25           HN       ASP  25 -13.204   7.277   1.809
  177    HA   ASP  25           HA       ASP  25 -12.093   9.323   0.032
  178    HB2  ASP  25           HB2      ASP  25 -12.377  10.893   1.847
  179    HB3  ASP  25           HB1      ASP  25 -13.835   9.910   1.793
  180    H    LEU  26           HN       LEU  26 -11.289   7.153   2.573
  181    HA   LEU  26           HA       LEU  26  -9.377   6.145   3.238
  182    HB2  LEU  26           HB2      LEU  26  -9.127   6.205   0.670
  183    HB3  LEU  26           HB1      LEU  26  -7.983   7.497   0.939
  184    HG   LEU  26           HG       LEU  26  -6.642   5.884   2.344
  185   HD11  LEU  26          HD11      LEU  26  -8.412   4.291   2.830
  186   HD12  LEU  26          HD12      LEU  26  -7.069   3.503   2.007
  187   HD13  LEU  26          HD13      LEU  26  -8.541   3.889   1.118
  188   HD21  LEU  26          HD21      LEU  26  -7.109   5.171  -0.545
  189   HD22  LEU  26          HD22      LEU  26  -5.692   4.739   0.407
  190   HD23  LEU  26          HD23      LEU  26  -6.031   6.433   0.051
  191    H    SER  27           HN       SER  27  -9.973   9.079   4.056
  192    HA   SER  27           HA       SER  27  -7.205   9.881   4.507
  193    HB2  SER  27           HB2      SER  27  -9.657  11.619   4.630
  194    HB3  SER  27           HB1      SER  27  -7.977  12.160   4.700
  195    HG   SER  27           HG       SER  27  -9.069  10.690   2.551
  196    H    GLY  28           HN       GLY  28  -9.901   8.863   6.064
  197    HA2  GLY  28           HA2      GLY  28  -9.098  10.011   8.665
  198    HA3  GLY  28           HA1      GLY  28 -10.636   9.223   8.346
  199    H    ASP  29           HN       ASP  29  -7.192   8.659   8.655
  200    HA   ASP  29           HA       ASP  29  -5.905   6.865   9.051
  201    HB2  ASP  29           HB2      ASP  29  -6.662   7.287  11.366
  202    HB3  ASP  29           HB1      ASP  29  -8.018   6.188  11.121
  203    H    PHE  30           HN       PHE  30  -5.906   5.747   7.250
  204    HA   PHE  30           HA       PHE  30  -8.053   3.825   6.890
  205    HB2  PHE  30           HB2      PHE  30  -7.260   3.578   4.610
  206    HB3  PHE  30           HB1      PHE  30  -7.560   5.260   5.004
  207    HD1  PHE  30           HD1      PHE  30  -5.579   6.751   5.489
  208    HD2  PHE  30           HD2      PHE  30  -5.161   2.865   3.824
  209    HE1  PHE  30           HE1      PHE  30  -3.317   7.325   4.724
  210    HE2  PHE  30           HE2      PHE  30  -2.905   3.434   3.056
  211    HZ   PHE  30           HZ       PHE  30  -2.005   5.667   3.427
  212    H    LEU  31           HN       LEU  31  -5.312   3.715   8.530
  213    HA   LEU  31           HA       LEU  31  -4.158   1.359   7.342
  214    HB2  LEU  31           HB2      LEU  31  -3.477   2.548  10.044
  215    HB3  LEU  31           HB1      LEU  31  -2.584   1.307   9.195
  216    HG   LEU  31           HG       LEU  31  -1.339   3.257   9.000
  217   HD11  LEU  31          HD11      LEU  31  -2.807   2.907   6.413
  218   HD12  LEU  31          HD12      LEU  31  -1.385   2.020   6.961
  219   HD13  LEU  31          HD13      LEU  31  -1.270   3.747   6.618
  220   HD21  LEU  31          HD21      LEU  31  -3.814   4.669   8.075
  221   HD22  LEU  31          HD22      LEU  31  -2.198   5.401   8.202
  222   HD23  LEU  31          HD23      LEU  31  -3.049   4.817   9.651
  223    H    ASP  32           HN       ASP  32  -6.528   2.003   9.754
  224    HA   ASP  32           HA       ASP  32  -6.358  -0.654  10.901
  225    HB2  ASP  32           HB2      ASP  32  -7.017   1.163  12.367
  226    HB3  ASP  32           HB1      ASP  32  -8.389   1.547  11.336
  227    H    LEU  33           HN       LEU  33  -8.126   0.889   8.377
  228    HA   LEU  33           HA       LEU  33 -10.228  -1.030   8.218
  229    HB2  LEU  33           HB2      LEU  33  -9.176   0.950   6.187
  230    HB3  LEU  33           HB1      LEU  33 -10.478  -0.158   5.834
  231    HG   LEU  33           HG       LEU  33 -11.444   1.938   6.269
  232   HD11  LEU  33          HD11      LEU  33 -12.863   1.533   8.202
  233   HD12  LEU  33          HD12      LEU  33 -11.791   0.225   8.701
  234   HD13  LEU  33          HD13      LEU  33 -12.678   0.108   7.181
  235   HD21  LEU  33          HD21      LEU  33 -11.105   3.214   8.336
  236   HD22  LEU  33          HD22      LEU  33  -9.604   3.022   7.426
  237   HD23  LEU  33          HD23      LEU  33  -9.900   2.035   8.856
  238    H    ARG  34           HN       ARG  34 -10.394  -2.798   6.863
  239    HA   ARG  34           HA       ARG  34  -7.818  -3.908   6.136
  240    HB2  ARG  34           HB2      ARG  34 -10.596  -5.070   6.049
  241    HB3  ARG  34           HB1      ARG  34  -9.099  -5.950   5.771
  242    HG2  ARG  34           HG2      ARG  34  -8.410  -5.540   8.042
  243    HG3  ARG  34           HG1      ARG  34  -9.900  -4.628   8.357
  244    HD2  ARG  34           HD2      ARG  34 -10.081  -6.924   9.171
  245    HD3  ARG  34           HD1      ARG  34 -11.207  -6.634   7.839
  246    HE   ARG  34           HE       ARG  34  -8.586  -7.853   7.386
  247   HH11  ARG  34          HH11      ARG  34 -12.129  -8.054   7.095
  248   HH12  ARG  34          HH12      ARG  34 -12.074  -9.412   6.049
  249   HH21  ARG  34          HH21      ARG  34  -8.566  -9.626   6.073
  250   HH22  ARG  34          HH22      ARG  34  -9.987 -10.424   5.515
  251    H    PHE  35           HN       PHE  35  -7.549  -4.823   3.991
  252    HA   PHE  35           HA       PHE  35  -8.471  -3.058   1.981
  253    HB2  PHE  35           HB2      PHE  35  -7.006  -5.679   1.801
  254    HB3  PHE  35           HB1      PHE  35  -7.478  -4.755   0.377
  255    HD1  PHE  35           HD2      PHE  35  -6.855  -2.116   0.706
  256    HD2  PHE  35           HD1      PHE  35  -4.853  -5.438   2.436
  257    HE1  PHE  35           HE2      PHE  35  -4.830  -0.757   0.970
  258    HE2  PHE  35           HE1      PHE  35  -2.828  -4.082   2.709
  259    HZ   PHE  35           HZ       PHE  35  -2.797  -1.741   1.790
  260    H    GLU  36           HN       GLU  36  -9.540  -6.113   3.154
  261    HA   GLU  36           HA       GLU  36 -11.360  -6.655   1.090
  262    HB2  GLU  36           HB2      GLU  36 -10.604  -8.355   2.659
  263    HB3  GLU  36           HB1      GLU  36 -11.363  -7.498   3.988
  264    HG2  GLU  36           HG2      GLU  36 -13.513  -8.035   3.228
  265    HG3  GLU  36           HG1      GLU  36 -12.904  -8.580   1.661
  266    H    ASP  37           HN       ASP  37 -11.522  -4.550   3.877
  267    HA   ASP  37           HA       ASP  37 -14.347  -4.148   3.837
  268    HB2  ASP  37           HB2      ASP  37 -12.172  -2.328   4.919
  269    HB3  ASP  37           HB1      ASP  37 -13.889  -2.037   5.119
  270    H    ILE  38           HN       ILE  38 -11.613  -2.528   2.361
  271    HA   ILE  38           HA       ILE  38 -13.416  -0.636   1.113
  272    HB   ILE  38           HB       ILE  38 -11.392   0.487   0.206
  273   HG12  ILE  38          HG12      ILE  38  -9.892  -1.548   1.889
  274   HG13  ILE  38          HG11      ILE  38  -9.901  -1.492   0.132
  275   HG21  ILE  38          HG21      ILE  38 -10.647   1.372   2.380
  276   HG22  ILE  38          HG22      ILE  38 -11.462   0.021   3.177
  277   HG23  ILE  38          HG23      ILE  38 -12.405   1.210   2.280
  278   HD11  ILE  38          HD11      ILE  38  -8.784   0.676   0.193
  279   HD12  ILE  38          HD12      ILE  38  -7.852  -0.551   1.055
  280   HD13  ILE  38          HD13      ILE  38  -8.795   0.634   1.957
  281    H    GLY  39           HN       GLY  39 -13.160  -3.529   0.347
  282    HA2  GLY  39           HA2      GLY  39 -13.696  -4.686  -1.583
  283    HA3  GLY  39           HA1      GLY  39 -13.892  -3.131  -2.368
  284    H    TYR  40           HN       TYR  40 -10.853  -4.060  -0.905
  285    HA   TYR  40           HA       TYR  40  -9.684  -4.070  -3.561
  286    HB2  TYR  40           HB2      TYR  40  -8.849  -3.121  -0.937
  287    HB3  TYR  40           HB1      TYR  40  -7.621  -4.073  -1.759
  288    HD1  TYR  40           HD1      TYR  40  -9.644  -1.050  -1.841
  289    HD2  TYR  40           HD2      TYR  40  -6.544  -3.208  -3.781
  290    HE1  TYR  40           HE1      TYR  40  -9.092   0.945  -3.140
  291    HE2  TYR  40           HE2      TYR  40  -5.973  -1.202  -5.095
  292    HH   TYR  40           HH       TYR  40  -7.204   0.909  -5.856
  293    H    ASP  41           HN       ASP  41  -9.191  -5.950  -4.398
  294    HA   ASP  41           HA       ASP  41  -8.811  -8.235  -2.640
  295    HB2  ASP  41           HB2      ASP  41  -8.831  -8.083  -5.672
  296    HB3  ASP  41           HB1      ASP  41  -8.516  -9.551  -4.767
  297    H    SER  42           HN       SER  42  -6.992  -9.599  -2.994
  298    HA   SER  42           HA       SER  42  -4.604  -8.411  -2.366
  299    HB2  SER  42           HB2      SER  42  -4.974 -11.142  -3.601
  300    HB3  SER  42           HB1      SER  42  -3.633 -10.615  -2.573
  301    H    LEU  43           HN       LEU  43  -5.757  -9.297  -5.565
  302    HA   LEU  43           HA       LEU  43  -3.240  -9.028  -6.870
  303    HB2  LEU  43           HB2      LEU  43  -6.019  -8.885  -8.036
  304    HB3  LEU  43           HB1      LEU  43  -4.545  -8.967  -8.975
  305    HG   LEU  43           HG       LEU  43  -5.611 -11.115  -7.143
  306   HD11  LEU  43          HD11      LEU  43  -6.863 -10.903  -9.212
  307   HD12  LEU  43          HD12      LEU  43  -5.905 -12.384  -9.209
  308   HD13  LEU  43          HD13      LEU  43  -5.367 -10.990 -10.144
  309   HD21  LEU  43          HD21      LEU  43  -3.769 -12.493  -7.999
  310   HD22  LEU  43          HD22      LEU  43  -3.170 -11.086  -7.121
  311   HD23  LEU  43          HD23      LEU  43  -3.139 -11.104  -8.884
  312    H    ALA  44           HN       ALA  44  -5.789  -6.763  -6.093
  313    HA   ALA  44           HA       ALA  44  -4.820  -4.683  -7.784
  314    HB1  ALA  44           HB1      ALA  44  -6.627  -4.517  -5.373
  315    HB2  ALA  44           HB2      ALA  44  -7.159  -4.775  -7.034
  316    HB3  ALA  44           HB3      ALA  44  -6.389  -3.254  -6.580
  317    H    LEU  45           HN       LEU  45  -4.105  -5.827  -4.630
  318    HA   LEU  45           HA       LEU  45  -2.826  -3.526  -3.562
  319    HB2  LEU  45           HB2      LEU  45  -2.327  -6.419  -2.939
  320    HB3  LEU  45           HB1      LEU  45  -1.858  -5.055  -1.950
  321    HG   LEU  45           HG       LEU  45  -4.681  -5.882  -2.554
  322   HD11  LEU  45          HD11      LEU  45  -4.753  -6.441  -0.177
  323   HD12  LEU  45          HD12      LEU  45  -3.043  -6.034  -0.032
  324   HD13  LEU  45          HD13      LEU  45  -3.543  -7.402  -1.028
  325   HD21  LEU  45          HD21      LEU  45  -5.249  -4.135  -0.928
  326   HD22  LEU  45          HD22      LEU  45  -4.442  -3.488  -2.363
  327   HD23  LEU  45          HD23      LEU  45  -3.541  -3.689  -0.860
  328    H    MET  46           HN       MET  46  -1.872  -6.119  -5.588
  329    HA   MET  46           HA       MET  46   0.927  -5.797  -5.447
  330    HB2  MET  46           HB2      MET  46  -0.813  -6.915  -7.638
  331    HB3  MET  46           HB1      MET  46   0.939  -7.047  -7.596
  332    HG2  MET  46           HG2      MET  46   0.843  -8.409  -5.601
  333    HG3  MET  46           HG1      MET  46  -0.901  -8.127  -5.491
  334    HE1  MET  46           HE1      MET  46   0.995 -10.416  -9.000
  335    HE2  MET  46           HE2      MET  46   1.947  -9.650  -7.729
  336    HE3  MET  46           HE3      MET  46   0.993  -8.661  -8.835
  337    H    GLU  47           HN       GLU  47  -1.597  -4.303  -7.348
  338    HA   GLU  47           HA       GLU  47   0.064  -2.911  -9.173
  339    HB2  GLU  47           HB2      GLU  47  -2.380  -3.326  -9.448
  340    HB3  GLU  47           HB1      GLU  47  -2.694  -2.194  -8.149
  341    HG2  GLU  47           HG2      GLU  47  -3.078  -1.116 -10.274
  342    HG3  GLU  47           HG1      GLU  47  -1.684  -0.391  -9.473
  343    H    THR  48           HN       THR  48  -1.483  -2.032  -6.099
  344    HA   THR  48           HA       THR  48  -0.595   0.553  -5.768
  345    HB   THR  48           HB       THR  48  -0.932  -1.579  -3.643
  346    HG1  THR  48           HG1      THR  48  -2.770   0.057  -5.050
  347   HG21  THR  48          HG21      THR  48  -1.328   1.427  -3.566
  348   HG22  THR  48          HG22      THR  48   0.011   0.543  -2.822
  349   HG23  THR  48          HG23      THR  48  -1.636   0.303  -2.239
  350    H    ALA  49           HN       ALA  49   0.885  -2.476  -4.587
  351    HA   ALA  49           HA       ALA  49   3.176  -1.302  -3.482
  352    HB1  ALA  49           HB1      ALA  49   4.066  -3.561  -3.359
  353    HB2  ALA  49           HB2      ALA  49   2.810  -4.127  -4.462
  354    HB3  ALA  49           HB3      ALA  49   2.375  -3.522  -2.862
  355    H    ALA  50           HN       ALA  50   2.623  -2.683  -6.726
  356    HA   ALA  50           HA       ALA  50   5.313  -2.507  -7.536
  357    HB1  ALA  50           HB1      ALA  50   2.853  -2.529  -9.275
  358    HB2  ALA  50           HB2      ALA  50   3.675  -3.955  -8.638
  359    HB3  ALA  50           HB3      ALA  50   4.503  -2.896  -9.782
  360    H    ARG  51           HN       ARG  51   2.665  -0.190  -7.666
  361    HA   ARG  51           HA       ARG  51   4.026   1.652  -9.342
  362    HB2  ARG  51           HB2      ARG  51   2.192   3.068  -9.066
  363    HB3  ARG  51           HB1      ARG  51   1.455   1.564  -8.567
  364    HG2  ARG  51           HG2      ARG  51   0.693   2.943  -6.909
  365    HG3  ARG  51           HG1      ARG  51   2.207   2.434  -6.158
  366    HD2  ARG  51           HD2      ARG  51   3.289   4.469  -7.141
  367    HD3  ARG  51           HD1      ARG  51   1.703   4.999  -7.687
  368    HE   ARG  51           HE       ARG  51   1.707   4.465  -4.897
  369   HH11  ARG  51          HH11      ARG  51   2.236   7.030  -7.299
  370   HH12  ARG  51          HH12      ARG  51   2.574   8.246  -6.161
  371   HH21  ARG  51          HH21      ARG  51   2.296   6.227  -3.273
  372   HH22  ARG  51          HH22      ARG  51   2.717   7.737  -3.807
  373    H    LEU  52           HN       LEU  52   4.264   0.821  -6.047
  374    HA   LEU  52           HA       LEU  52   5.782   3.150  -5.272
  375    HB2  LEU  52           HB2      LEU  52   5.195   0.570  -3.823
  376    HB3  LEU  52           HB1      LEU  52   6.032   1.940  -3.120
  377    HG   LEU  52           HG       LEU  52   3.195   2.027  -4.140
  378   HD11  LEU  52          HD11      LEU  52   3.368   0.553  -2.212
  379   HD12  LEU  52          HD12      LEU  52   2.545   2.057  -1.789
  380   HD13  LEU  52          HD13      LEU  52   4.223   1.809  -1.318
  381   HD21  LEU  52          HD21      LEU  52   3.106   4.150  -2.939
  382   HD22  LEU  52          HD22      LEU  52   4.338   4.176  -4.199
  383   HD23  LEU  52          HD23      LEU  52   4.810   3.988  -2.512
  384    H    GLU  53           HN       GLU  53   6.374  -0.205  -6.194
  385    HA   GLU  53           HA       GLU  53   9.086  -0.456  -5.598
  386    HB2  GLU  53           HB2      GLU  53   7.604  -1.541  -7.984
  387    HB3  GLU  53           HB1      GLU  53   9.228  -2.008  -7.530
  388    HG2  GLU  53           HG2      GLU  53   8.314  -2.882  -5.406
  389    HG3  GLU  53           HG1      GLU  53   6.693  -2.513  -6.012
  390    H    SER  54           HN       SER  54   7.561   0.616  -8.611
  391    HA   SER  54           HA       SER  54   9.933   1.223  -9.954
  392    HB2  SER  54           HB2      SER  54   8.342   2.497 -11.449
  393    HB3  SER  54           HB1      SER  54   7.938   0.801 -11.181
  394    HG   SER  54           HG       SER  54   6.065   1.648 -10.692
  395    H    ARG  55           HN       ARG  55   7.945   2.968  -7.773
  396    HA   ARG  55           HA       ARG  55   8.772   5.601  -8.377
  397    HB2  ARG  55           HB2      ARG  55   6.657   5.004  -7.244
  398    HB3  ARG  55           HB1      ARG  55   7.572   4.517  -5.833
  399    HG2  ARG  55           HG2      ARG  55   6.692   6.642  -5.353
  400    HG3  ARG  55           HG1      ARG  55   8.402   6.887  -5.690
  401    HD2  ARG  55           HD2      ARG  55   6.136   7.365  -7.616
  402    HD3  ARG  55           HD1      ARG  55   6.959   8.617  -6.698
  403    HE   ARG  55           HE       ARG  55   8.115   7.037  -8.894
  404   HH11  ARG  55          HH11      ARG  55   8.247   9.906  -6.793
  405   HH12  ARG  55          HH12      ARG  55   9.493  10.649  -7.702
  406   HH21  ARG  55          HH21      ARG  55   9.791   8.044 -10.066
  407   HH22  ARG  55          HH22      ARG  55  10.439   9.550  -9.614
  408    H    TYR  56           HN       TYR  56   9.852   3.290  -5.877
  409    HA   TYR  56           HA       TYR  56  11.953   5.236  -5.169
  410    HB2  TYR  56           HB2      TYR  56  10.670   3.114  -3.472
  411    HB3  TYR  56           HB1      TYR  56  12.154   3.935  -3.000
  412    HD1  TYR  56           HD2      TYR  56   8.580   4.424  -3.762
  413    HD2  TYR  56           HD1      TYR  56  12.104   6.133  -2.122
  414    HE1  TYR  56           HE2      TYR  56   7.261   6.270  -2.872
  415    HE2  TYR  56           HE1      TYR  56  10.785   7.995  -1.213
  416    HH   TYR  56           HH       TYR  56   8.703   9.112  -1.591
  417    H    GLY  57           HN       GLY  57  11.632   2.301  -6.735
  418    HA2  GLY  57           HA2      GLY  57  13.333   1.044  -7.661
  419    HA3  GLY  57           HA1      GLY  57  14.500   2.006  -6.755
  420    H    VAL  58           HN       VAL  58  11.769  -0.022  -5.891
  421    HA   VAL  58           HA       VAL  58  13.535  -1.584  -4.171
  422    HB   VAL  58           HB       VAL  58  12.179   0.127  -2.881
  423   HG11  VAL  58          HG11      VAL  58  10.177   0.210  -4.133
  424   HG12  VAL  58          HG12      VAL  58   9.800  -0.248  -2.474
  425   HG13  VAL  58          HG13      VAL  58   9.805  -1.469  -3.748
  426   HG21  VAL  58          HG21      VAL  58  11.499  -2.724  -2.133
  427   HG22  VAL  58          HG22      VAL  58  11.491  -1.328  -1.066
  428   HG23  VAL  58          HG23      VAL  58  13.010  -1.894  -1.759
  429    H    SER  59           HN       SER  59  12.186  -3.755  -3.565
  430    HA   SER  59           HA       SER  59  10.586  -4.491  -5.881
  431    HB2  SER  59           HB2      SER  59  12.867  -6.093  -4.709
  432    HB3  SER  59           HB1      SER  59  11.777  -6.643  -5.986
  433    HG   SER  59           HG       SER  59  12.446  -4.697  -7.116
  434    H    ILE  60           HN       ILE  60   8.803  -5.456  -5.370
  435    HA   ILE  60           HA       ILE  60   8.521  -6.762  -2.756
  436    HB   ILE  60           HB       ILE  60   6.426  -5.041  -4.146
  437   HG12  ILE  60          HG12      ILE  60   7.929  -4.554  -1.557
  438   HG13  ILE  60          HG11      ILE  60   8.214  -3.710  -3.074
  439   HG21  ILE  60          HG21      ILE  60   5.060  -5.429  -2.141
  440   HG22  ILE  60          HG22      ILE  60   6.300  -6.515  -1.516
  441   HG23  ILE  60          HG23      ILE  60   5.424  -6.937  -2.986
  442   HD11  ILE  60          HD11      ILE  60   5.685  -3.622  -1.446
  443   HD12  ILE  60          HD12      ILE  60   5.961  -2.774  -2.967
  444   HD13  ILE  60          HD13      ILE  60   6.910  -2.356  -1.541
  445    HA   PRO  61           HA       PRO  61   7.617 -10.039  -5.739
  446    HB2  PRO  61           HB2      PRO  61   7.222 -11.501  -3.174
  447    HB3  PRO  61           HB1      PRO  61   8.200 -11.942  -4.581
  448    HG2  PRO  61           HG2      PRO  61   9.371 -11.059  -2.373
  449    HG3  PRO  61           HG1      PRO  61   9.952 -10.536  -3.966
  450    HD2  PRO  61           HD2      PRO  61   8.232  -9.066  -2.003
  451    HD3  PRO  61           HD1      PRO  61   9.586  -8.461  -2.983
  452    H    ASP  62           HN       ASP  62   5.857 -11.375  -6.189
  453    HA   ASP  62           HA       ASP  62   3.395 -10.096  -6.270
  454    HB2  ASP  62           HB2      ASP  62   3.930 -13.055  -6.618
  455    HB3  ASP  62           HB1      ASP  62   2.456 -12.230  -7.097
  456    H    ASP  63           HN       ASP  63   4.256 -12.936  -4.319
  457    HA   ASP  63           HA       ASP  63   1.748 -13.269  -3.080
  458    HB2  ASP  63           HB2      ASP  63   3.431 -15.044  -3.119
  459    HB3  ASP  63           HB1      ASP  63   4.484 -14.090  -2.089
  460    H    VAL  64           HN       VAL  64   4.560 -11.483  -2.170
  461    HA   VAL  64           HA       VAL  64   3.992 -10.720   0.473
  462    HB   VAL  64           HB       VAL  64   5.429  -9.189  -1.669
  463   HG11  VAL  64          HG11      VAL  64   5.678  -9.055   1.356
  464   HG12  VAL  64          HG12      VAL  64   4.982  -7.812   0.314
  465   HG13  VAL  64          HG13      VAL  64   6.706  -8.175   0.223
  466   HG21  VAL  64          HG21      VAL  64   6.485 -11.223   0.285
  467   HG22  VAL  64          HG22      VAL  64   7.481 -10.244  -0.792
  468   HG23  VAL  64          HG23      VAL  64   6.341 -11.411  -1.462
  469    H    ALA  65           HN       ALA  65   3.565  -8.895  -2.543
  470    HA   ALA  65           HA       ALA  65   2.368  -6.622  -1.460
  471    HB1  ALA  65           HB1      ALA  65   3.300  -6.651  -3.671
  472    HB2  ALA  65           HB2      ALA  65   1.594  -6.188  -3.773
  473    HB3  ALA  65           HB3      ALA  65   2.108  -7.831  -4.188
  474    H    GLY  66           HN       GLY  66   0.885  -9.632  -2.539
  475    HA2  GLY  66           HA2      GLY  66  -1.747  -8.556  -1.807
  476    HA3  GLY  66           HA1      GLY  66  -1.460 -10.038  -2.710
  477    H    ARG  67           HN       ARG  67   0.434  -9.439   0.120
  478    HA   ARG  67           HA       ARG  67  -0.938 -11.666   1.464
  479    HB2  ARG  67           HB2      ARG  67   1.520 -11.794   1.108
  480    HB3  ARG  67           HB1      ARG  67   1.722 -10.347   2.072
  481    HG2  ARG  67           HG2      ARG  67   2.317 -12.200   3.415
  482    HG3  ARG  67           HG1      ARG  67   0.764 -11.612   4.007
  483    HD2  ARG  67           HD2      ARG  67  -0.382 -13.401   2.798
  484    HD3  ARG  67           HD1      ARG  67   1.166 -13.972   2.164
  485    HE   ARG  67           HE       ARG  67   0.871 -13.782   5.031
  486   HH11  ARG  67          HH11      ARG  67   0.744 -15.942   2.197
  487   HH12  ARG  67          HH12      ARG  67   1.063 -17.355   3.070
  488   HH21  ARG  67          HH21      ARG  67   1.301 -15.758   6.240
  489   HH22  ARG  67          HH22      ARG  67   1.278 -17.266   5.442
  490    H    VAL  68           HN       VAL  68  -0.390  -8.318   1.608
  491    HA   VAL  68           HA       VAL  68  -0.720  -7.953   4.412
  492    HB   VAL  68           HB       VAL  68  -0.722  -5.536   3.879
  493   HG11  VAL  68          HG11      VAL  68   1.556  -5.486   2.977
  494   HG12  VAL  68          HG12      VAL  68   1.391  -7.173   2.489
  495   HG13  VAL  68          HG13      VAL  68   1.357  -6.740   4.199
  496   HG21  VAL  68          HG21      VAL  68  -0.513  -6.460   1.004
  497   HG22  VAL  68          HG22      VAL  68  -0.328  -4.799   1.568
  498   HG23  VAL  68          HG23      VAL  68  -1.888  -5.611   1.712
  499    H    ASP  69           HN       ASP  69  -2.474  -7.563   5.581
  500    HA   ASP  69           HA       ASP  69  -5.051  -7.854   4.252
  501    HB2  ASP  69           HB2      ASP  69  -4.528  -9.210   6.262
  502    HB3  ASP  69           HB1      ASP  69  -4.394  -7.728   7.198
  503    H    THR  70           HN       THR  70  -3.406  -5.614   6.383
  504    HA   THR  70           HA       THR  70  -5.398  -3.576   5.670
  505    HB   THR  70           HB       THR  70  -4.702  -2.427   7.791
  506    HG1  THR  70           HG1      THR  70  -3.189  -4.834   8.116
  507   HG21  THR  70          HG21      THR  70  -5.880  -3.963   9.316
  508   HG22  THR  70          HG22      THR  70  -5.728  -5.247   8.116
  509   HG23  THR  70          HG23      THR  70  -6.705  -3.823   7.762
  510    HA   PRO  71           HA       PRO  71  -2.371  -1.165   3.533
  511    HB2  PRO  71           HB2      PRO  71  -3.270   1.182   5.123
  512    HB3  PRO  71           HB1      PRO  71  -3.179   0.974   3.368
  513    HG2  PRO  71           HG2      PRO  71  -5.521   0.883   4.570
  514    HG3  PRO  71           HG1      PRO  71  -5.139  -0.282   3.285
  515    HD2  PRO  71           HD2      PRO  71  -5.119  -0.665   6.256
  516    HD3  PRO  71           HD1      PRO  71  -5.749  -1.739   4.991
  517    H    ARG  72           HN       ARG  72  -2.377  -1.035   6.999
  518    HA   ARG  72           HA       ARG  72   0.009   0.471   7.280
  519    HB2  ARG  72           HB2      ARG  72   0.090  -0.330   9.589
  520    HB3  ARG  72           HB1      ARG  72  -1.523   0.213   9.160
  521    HG2  ARG  72           HG2      ARG  72  -2.196  -2.133   8.851
  522    HG3  ARG  72           HG1      ARG  72  -0.579  -2.636   9.364
  523    HD2  ARG  72           HD2      ARG  72  -2.123  -2.764  11.214
  524    HD3  ARG  72           HD1      ARG  72  -0.929  -1.498  11.503
  525    HE   ARG  72           HE       ARG  72  -3.614  -0.908  10.460
  526   HH11  ARG  72          HH11      ARG  72  -0.917  -0.053  12.592
  527   HH12  ARG  72          HH12      ARG  72  -1.814   1.093  13.476
  528   HH21  ARG  72          HH21      ARG  72  -4.844   0.611  11.716
  529   HH22  ARG  72          HH22      ARG  72  -4.120   1.487  12.961
  530    H    GLU  73           HN       GLU  73  -0.682  -2.906   6.759
  531    HA   GLU  73           HA       GLU  73   1.935  -3.906   7.256
  532    HB2  GLU  73           HB2      GLU  73  -0.378  -4.981   5.650
  533    HB3  GLU  73           HB1      GLU  73   1.067  -5.890   6.058
  534    HG2  GLU  73           HG2      GLU  73   0.512  -5.956   8.332
  535    HG3  GLU  73           HG1      GLU  73  -0.706  -4.692   8.153
  536    H    LEU  74           HN       LEU  74   0.144  -2.742   4.488
  537    HA   LEU  74           HA       LEU  74   2.032  -3.423   2.461
  538    HB2  LEU  74           HB2      LEU  74  -0.497  -2.673   2.319
  539    HB3  LEU  74           HB1      LEU  74   0.161  -1.057   2.290
  540    HG   LEU  74           HG       LEU  74   0.643  -3.213   0.203
  541   HD11  LEU  74          HD11      LEU  74  -1.604  -2.397   0.155
  542   HD12  LEU  74          HD12      LEU  74  -0.705  -1.824  -1.249
  543   HD13  LEU  74          HD13      LEU  74  -1.026  -0.733   0.102
  544   HD21  LEU  74          HD21      LEU  74   1.485  -0.306   0.184
  545   HD22  LEU  74          HD22      LEU  74   1.690  -1.452  -1.141
  546   HD23  LEU  74          HD23      LEU  74   2.570  -1.684   0.370
  547    H    LEU  75           HN       LEU  75   1.453  -0.575   4.457
  548    HA   LEU  75           HA       LEU  75   3.468   1.087   3.435
  549    HB2  LEU  75           HB2      LEU  75   1.651   1.857   4.912
  550    HB3  LEU  75           HB1      LEU  75   2.331   0.931   6.231
  551    HG   LEU  75           HG       LEU  75   4.323   2.387   6.212
  552   HD11  LEU  75          HD11      LEU  75   4.304   3.036   3.871
  553   HD12  LEU  75          HD12      LEU  75   4.301   4.457   4.915
  554   HD13  LEU  75          HD13      LEU  75   2.813   3.944   4.119
  555   HD21  LEU  75          HD21      LEU  75   1.694   3.848   6.424
  556   HD22  LEU  75          HD22      LEU  75   3.226   4.369   7.130
  557   HD23  LEU  75          HD23      LEU  75   2.455   2.887   7.693
  558    H    ASP  76           HN       ASP  76   3.450  -1.294   6.054
  559    HA   ASP  76           HA       ASP  76   6.113  -0.901   6.867
  560    HB2  ASP  76           HB2      ASP  76   4.468  -2.023   8.306
  561    HB3  ASP  76           HB1      ASP  76   4.412  -3.385   7.192
  562    H    LEU  77           HN       LEU  77   4.760  -2.804   4.280
  563    HA   LEU  77           HA       LEU  77   7.000  -4.421   3.695
  564    HB2  LEU  77           HB2      LEU  77   5.128  -3.126   1.703
  565    HB3  LEU  77           HB1      LEU  77   6.223  -4.442   1.356
  566    HG   LEU  77           HG       LEU  77   3.781  -4.540   3.112
  567   HD11  LEU  77          HD11      LEU  77   3.293  -4.443   0.744
  568   HD12  LEU  77          HD12      LEU  77   2.938  -6.047   1.381
  569   HD13  LEU  77          HD13      LEU  77   4.404  -5.779   0.436
  570   HD21  LEU  77          HD21      LEU  77   5.545  -5.997   4.000
  571   HD22  LEU  77          HD22      LEU  77   5.742  -6.732   2.408
  572   HD23  LEU  77          HD23      LEU  77   4.234  -6.946   3.297
  573    H    ILE  78           HN       ILE  78   6.104  -1.218   2.663
  574    HA   ILE  78           HA       ILE  78   8.395  -0.626   1.105
  575    HB   ILE  78           HB       ILE  78   6.426   1.187   2.527
  576   HG12  ILE  78          HG12      ILE  78   5.393  -0.231   0.836
  577   HG13  ILE  78          HG11      ILE  78   5.409   1.448   0.306
  578   HG21  ILE  78          HG21      ILE  78   8.465   1.911   0.426
  579   HG22  ILE  78          HG22      ILE  78   8.474   2.419   2.116
  580   HG23  ILE  78          HG23      ILE  78   7.197   2.976   1.034
  581   HD11  ILE  78          HD11      ILE  78   7.343   0.965  -1.121
  582   HD12  ILE  78          HD12      ILE  78   5.957  -0.045  -1.522
  583   HD13  ILE  78          HD13      ILE  78   7.301  -0.716  -0.593
  584    H    ASN  79           HN       ASN  79   7.413   0.361   4.359
  585    HA   ASN  79           HA       ASN  79   9.668   1.770   5.189
  586    HB2  ASN  79           HB2      ASN  79   7.892  -0.026   6.861
  587    HB3  ASN  79           HB1      ASN  79   9.055   1.110   7.513
  588   HD21  ASN  79          HD21      ASN  79   8.410   3.226   5.595
  589   HD22  ASN  79          HD22      ASN  79   6.851   3.805   6.110
  590    H    GLY  80           HN       GLY  80   8.948  -1.663   5.687
  591    HA2  GLY  80           HA2      GLY  80  11.305  -2.349   6.971
  592    HA3  GLY  80           HA1      GLY  80  10.214  -3.440   6.136
  593    H    ALA  81           HN       ALA  81  10.427  -2.666   3.530
  594    HA   ALA  81           HA       ALA  81  12.841  -3.917   2.811
  595    HB1  ALA  81           HB1      ALA  81  12.234  -3.418   0.516
  596    HB2  ALA  81           HB2      ALA  81  11.014  -2.273   1.068
  597    HB3  ALA  81           HB3      ALA  81  10.831  -3.994   1.416
  598    H    LEU  82           HN       LEU  82  11.872  -0.516   2.732
  599    HA   LEU  82           HA       LEU  82  14.276   0.346   1.495
  600    HB2  LEU  82           HB2      LEU  82  12.170   1.887   2.992
  601    HB3  LEU  82           HB1      LEU  82  13.537   2.643   2.191
  602    HG   LEU  82           HG       LEU  82  11.360   1.034   0.843
  603   HD11  LEU  82          HD11      LEU  82  11.942   3.988   0.814
  604   HD12  LEU  82          HD12      LEU  82  10.579   3.203   1.610
  605   HD13  LEU  82          HD13      LEU  82  10.706   3.172  -0.144
  606   HD21  LEU  82          HD21      LEU  82  13.511   0.784  -0.281
  607   HD22  LEU  82          HD22      LEU  82  13.694   2.538  -0.333
  608   HD23  LEU  82          HD23      LEU  82  12.404   1.758  -1.253
  609    H    ALA  83           HN       ALA  83  13.267   0.207   4.874
  610    HA   ALA  83           HA       ALA  83  15.696   1.537   5.718
  611    HB1  ALA  83           HB1      ALA  83  13.564   0.223   7.398
  612    HB2  ALA  83           HB2      ALA  83  13.585   1.916   6.905
  613    HB3  ALA  83           HB3      ALA  83  14.843   1.291   7.975
  614    H    GLU  84           HN       GLU  84  15.286  -1.412   4.600
  615    HA   GLU  84           HA       GLU  84  17.231  -2.599   6.477
  616    HB2  GLU  84           HB2      GLU  84  15.000  -3.611   6.644
  617    HB3  GLU  84           HB1      GLU  84  15.071  -4.012   4.939
  618    HG2  GLU  84           HG2      GLU  84  17.041  -5.435   5.443
  619    HG3  GLU  84           HG1      GLU  84  16.756  -5.119   7.157
  620    H    ALA  85           HN       ALA  85  15.959  -2.930   3.125
  621    HA   ALA  85           HA       ALA  85  18.452  -4.230   2.393
  622    HB1  ALA  85           HB1      ALA  85  16.333  -5.278   1.772
  623    HB2  ALA  85           HB2      ALA  85  17.327  -4.894   0.364
  624    HB3  ALA  85           HB3      ALA  85  15.943  -3.880   0.770
  625    H    ALA  86           HN       ALA  86  17.226  -1.086   2.224
  626    HA   ALA  86           HA       ALA  86  18.750  -0.528  -0.204
  627    HB1  ALA  86           HB1      ALA  86  16.813   1.244   1.296
  628    HB2  ALA  86           HB2      ALA  86  16.438   0.308  -0.152
  629    HB3  ALA  86           HB3      ALA  86  17.598   1.634  -0.234
  630   H282  PNS  87          H28A      PNS  87  -8.151 -13.658  -2.917
  631   H281  PNS  87          H28B      PNS  87  -8.912 -12.192  -3.536
  632   H303  PNS  87          H30A      PNS  87  -9.076 -14.555  -6.319
  633   H302  PNS  87          H30B      PNS  87  -9.999 -13.526  -5.223
  634   H301  PNS  87          H30C      PNS  87  -9.198 -14.975  -4.611
  635   H313  PNS  87          H31A      PNS  87  -6.954 -11.549  -5.751
  636   H312  PNS  87          H31B      PNS  87  -8.708 -11.575  -5.932
  637   H311  PNS  87          H31C      PNS  87  -7.694 -12.537  -7.010
  638    H32  PNS  87          H32A      PNS  87  -6.514 -14.962  -4.341
  639    H33  PNS  87          H33A      PNS  87  -5.094 -13.458  -6.015
  640    H36  PNS  87          H36A      PNS  87  -7.673 -16.368  -5.899
  641   H372  PNS  87          H37A      PNS  87  -7.904 -16.527  -8.513
  642   H371  PNS  87          H37B      PNS  87  -6.160 -16.710  -8.358
  643   H382  PNS  87          H38A      PNS  87  -6.496 -18.635  -6.884
  644   H381  PNS  87          H38B      PNS  87  -8.245 -18.486  -7.097
  645    H41  PNS  87          H41A      PNS  87  -7.457 -20.792  -7.641
  646   H422  PNS  87          H42A      PNS  87  -7.749 -21.123 -10.481
  647   H421  PNS  87          H42B      PNS  87  -6.225 -21.721  -9.822
  648   H431  PNS  87          H43A      PNS  87  -8.978 -22.523  -8.924
  649   H432  PNS  87          H43B      PNS  87  -7.459 -23.176  -8.304
  650    H44  PNS  87           H1       PNS  87  -8.650 -25.054  -9.894
  Start of MODEL    6
    1    H1   MET   1           HT1      MET   1  17.147   4.126   4.034
    2    H2   MET   1           HT2      MET   1  18.703   3.555   4.331
    3    H3   MET   1           HT3      MET   1  17.987   3.316   2.793
    4    HA   MET   1           HA       MET   1  18.654   5.908   4.018
    5    HB2  MET   1           HB2      MET   1  19.947   4.408   1.736
    6    HB3  MET   1           HB1      MET   1  20.284   6.085   2.130
    7    HG2  MET   1           HG2      MET   1  21.128   5.407   4.311
    8    HG3  MET   1           HG1      MET   1  20.770   3.727   3.927
    9    HE1  MET   1           HE1      MET   1  23.943   6.247   1.710
   10    HE2  MET   1           HE2      MET   1  22.981   6.854   3.058
   11    HE3  MET   1           HE3      MET   1  22.210   6.495   1.513
   12    H    ALA   2           HN       ALA   2  16.311   4.401   2.275
   13    HA   ALA   2           HA       ALA   2  16.039   6.533   0.333
   14    HB1  ALA   2           HB1      ALA   2  14.223   5.148  -0.567
   15    HB2  ALA   2           HB2      ALA   2  14.457   3.991   0.741
   16    HB3  ALA   2           HB3      ALA   2  15.727   4.234  -0.459
   17    H    THR   3           HN       THR   3  14.065   7.664   0.228
   18    HA   THR   3           HA       THR   3  13.227   8.638   2.757
   19    HB   THR   3           HB       THR   3  12.146   9.097   0.038
   20    HG1  THR   3           HG1      THR   3  14.516   9.725   1.175
   21   HG21  THR   3          HG21      THR   3  11.422  11.295   0.956
   22   HG22  THR   3          HG22      THR   3  12.004  10.791   2.542
   23   HG23  THR   3          HG23      THR   3  10.657   9.939   1.784
   24    H    LEU   4           HN       LEU   4  11.946   7.405   3.971
   25    HA   LEU   4           HA       LEU   4  10.107   5.496   2.989
   26    HB2  LEU   4           HB2      LEU   4  10.042   6.840   5.681
   27    HB3  LEU   4           HB1      LEU   4   9.315   5.315   5.210
   28    HG   LEU   4           HG       LEU   4  12.264   5.886   5.481
   29   HD11  LEU   4          HD11      LEU   4  12.160   4.309   7.339
   30   HD12  LEU   4          HD12      LEU   4  10.418   4.172   7.122
   31   HD13  LEU   4          HD13      LEU   4  11.124   5.712   7.609
   32   HD21  LEU   4          HD21      LEU   4  10.853   3.326   4.755
   33   HD22  LEU   4          HD22      LEU   4  12.585   3.510   5.046
   34   HD23  LEU   4          HD23      LEU   4  11.830   4.316   3.671
   35    H    LEU   5           HN       LEU   5   8.227   5.865   2.096
   36    HA   LEU   5           HA       LEU   5   7.064   8.450   2.139
   37    HB2  LEU   5           HB2      LEU   5   5.246   7.453   0.773
   38    HB3  LEU   5           HB1      LEU   5   6.841   7.232   0.104
   39    HG   LEU   5           HG       LEU   5   6.717   4.853   1.082
   40   HD11  LEU   5          HD11      LEU   5   4.794   5.164   2.540
   41   HD12  LEU   5          HD12      LEU   5   4.489   3.915   1.333
   42   HD13  LEU   5          HD13      LEU   5   3.782   5.521   1.140
   43   HD21  LEU   5          HD21      LEU   5   5.459   4.067  -0.877
   44   HD22  LEU   5          HD22      LEU   5   6.638   5.329  -1.262
   45   HD23  LEU   5          HD23      LEU   5   4.927   5.733  -1.146
   46    H    THR   6           HN       THR   6   5.074   9.059   2.937
   47    HA   THR   6           HA       THR   6   4.586   7.801   5.486
   48    HB   THR   6           HB       THR   6   3.210   9.898   5.885
   49    HG1  THR   6           HG1      THR   6   4.604  10.773   3.541
   50   HG21  THR   6          HG21      THR   6   6.144  10.197   5.195
   51   HG22  THR   6          HG22      THR   6   5.506   9.609   6.728
   52   HG23  THR   6          HG23      THR   6   5.219  11.280   6.237
   53    H    THR   7           HN       THR   7   2.090   8.432   6.136
   54    HA   THR   7           HA       THR   7   0.551   6.404   4.976
   55    HB   THR   7           HB       THR   7  -0.306   8.731   6.714
   56    HG1  THR   7           HG1      THR   7   0.033   6.563   8.177
   57   HG21  THR   7          HG21      THR   7  -2.058   7.181   7.480
   58   HG22  THR   7          HG22      THR   7  -1.470   5.956   6.358
   59   HG23  THR   7          HG23      THR   7  -2.175   7.451   5.741
   60    H    ASP   8           HN       ASP   8   0.614   9.914   4.639
   61    HA   ASP   8           HA       ASP   8  -1.657  10.197   3.009
   62    HB2  ASP   8           HB2      ASP   8   0.741  11.946   3.427
   63    HB3  ASP   8           HB1      ASP   8  -0.456  12.350   2.206
   64    H    ASP   9           HN       ASP   9   1.695   9.576   2.160
   65    HA   ASP   9           HA       ASP   9   1.154   9.820  -0.637
   66    HB2  ASP   9           HB2      ASP   9   3.501  10.046   0.205
   67    HB3  ASP   9           HB1      ASP   9   3.468   8.334   0.621
   68    H    LEU  10           HN       LEU  10   1.409   7.118   1.606
   69    HA   LEU  10           HA       LEU  10   0.950   4.986  -0.115
   70    HB2  LEU  10           HB2      LEU  10   1.434   4.705   2.273
   71    HB3  LEU  10           HB1      LEU  10  -0.136   5.377   2.677
   72    HG   LEU  10           HG       LEU  10  -1.170   3.452   1.436
   73   HD11  LEU  10          HD11      LEU  10   1.629   2.368   1.521
   74   HD12  LEU  10          HD12      LEU  10   0.711   2.809   0.081
   75   HD13  LEU  10          HD13      LEU  10   0.183   1.457   1.083
   76   HD21  LEU  10          HD21      LEU  10  -0.831   1.859   3.279
   77   HD22  LEU  10          HD22      LEU  10  -1.099   3.504   3.853
   78   HD23  LEU  10          HD23      LEU  10   0.530   2.832   3.840
   79    H    ARG  11           HN       ARG  11  -1.349   7.048   1.549
   80    HA   ARG  11           HA       ARG  11  -3.765   6.044   0.698
   81    HB2  ARG  11           HB2      ARG  11  -3.612   7.768   2.370
   82    HB3  ARG  11           HB1      ARG  11  -2.888   8.883   1.229
   83    HG2  ARG  11           HG2      ARG  11  -4.999   9.018   0.019
   84    HG3  ARG  11           HG1      ARG  11  -5.721   7.864   1.147
   85    HD2  ARG  11           HD2      ARG  11  -4.510  10.503   1.975
   86    HD3  ARG  11           HD1      ARG  11  -6.226  10.267   1.653
   87    HE   ARG  11           HE       ARG  11  -6.071   8.509   3.433
   88   HH11  ARG  11          HH11      ARG  11  -4.040  11.447   3.517
   89   HH12  ARG  11          HH12      ARG  11  -3.941  11.509   5.201
   90   HH21  ARG  11          HH21      ARG  11  -5.939   8.623   5.831
   91   HH22  ARG  11          HH22      ARG  11  -5.046   9.878   6.532
   92    H    ARG  12           HN       ARG  12  -1.777   8.518  -0.922
   93    HA   ARG  12           HA       ARG  12  -3.510   8.901  -3.131
   94    HB2  ARG  12           HB2      ARG  12  -0.518   9.333  -3.041
   95    HB3  ARG  12           HB1      ARG  12  -1.616   9.986  -4.243
   96    HG2  ARG  12           HG2      ARG  12  -2.740  11.262  -2.432
   97    HG3  ARG  12           HG1      ARG  12  -1.498  10.682  -1.322
   98    HD2  ARG  12           HD2      ARG  12  -1.069  12.360  -3.792
   99    HD3  ARG  12           HD1      ARG  12  -0.938  12.903  -2.123
  100    HE   ARG  12           HE       ARG  12   0.844  10.811  -2.413
  101   HH11  ARG  12          HH11      ARG  12   0.449  14.067  -3.841
  102   HH12  ARG  12          HH12      ARG  12   2.112  14.253  -4.129
  103   HH21  ARG  12          HH21      ARG  12   3.105  11.106  -2.872
  104   HH22  ARG  12          HH22      ARG  12   3.646  12.530  -3.625
  105    H    ALA  13           HN       ALA  13  -0.661   6.859  -2.701
  106    HA   ALA  13           HA       ALA  13  -0.601   5.845  -5.359
  107    HB1  ALA  13           HB1      ALA  13   0.591   4.673  -2.846
  108    HB2  ALA  13           HB2      ALA  13   1.362   5.876  -3.879
  109    HB3  ALA  13           HB3      ALA  13   1.030   4.261  -4.505
  110    H    LEU  14           HN       LEU  14  -2.345   4.943  -2.533
  111    HA   LEU  14           HA       LEU  14  -3.019   2.331  -3.471
  112    HB2  LEU  14           HB2      LEU  14  -2.850   2.993  -1.098
  113    HB3  LEU  14           HB1      LEU  14  -4.296   3.967  -1.271
  114    HG   LEU  14           HG       LEU  14  -5.559   1.872  -1.803
  115   HD11  LEU  14          HD11      LEU  14  -2.988   0.532  -0.974
  116   HD12  LEU  14          HD12      LEU  14  -3.687   0.523  -2.593
  117   HD13  LEU  14          HD13      LEU  14  -4.531  -0.273  -1.263
  118   HD21  LEU  14          HD21      LEU  14  -5.605   1.046   0.501
  119   HD22  LEU  14          HD22      LEU  14  -5.577   2.809   0.444
  120   HD23  LEU  14          HD23      LEU  14  -4.110   1.918   0.842
  121    H    VAL  15           HN       VAL  15  -4.613   5.514  -3.367
  122    HA   VAL  15           HA       VAL  15  -7.110   4.780  -4.384
  123    HB   VAL  15           HB       VAL  15  -5.616   7.416  -4.734
  124   HG11  VAL  15          HG11      VAL  15  -7.365   7.222  -6.440
  125   HG12  VAL  15          HG12      VAL  15  -7.792   8.434  -5.231
  126   HG13  VAL  15          HG13      VAL  15  -8.551   6.847  -5.189
  127   HG21  VAL  15          HG21      VAL  15  -7.061   8.204  -2.927
  128   HG22  VAL  15          HG22      VAL  15  -6.066   6.841  -2.415
  129   HG23  VAL  15          HG23      VAL  15  -7.774   6.596  -2.795
  130    H    GLU  16           HN       GLU  16  -4.106   5.394  -6.020
  131    HA   GLU  16           HA       GLU  16  -4.960   5.528  -8.683
  132    HB2  GLU  16           HB2      GLU  16  -2.403   4.325  -7.617
  133    HB3  GLU  16           HB1      GLU  16  -2.666   4.834  -9.267
  134    HG2  GLU  16           HG2      GLU  16  -2.593   6.592  -6.838
  135    HG3  GLU  16           HG1      GLU  16  -1.340   6.438  -8.068
  136    H    SER  17           HN       SER  17  -4.411   2.757  -6.565
  137    HA   SER  17           HA       SER  17  -4.524   0.761  -8.599
  138    HB2  SER  17           HB2      SER  17  -4.895   0.516  -5.619
  139    HB3  SER  17           HB1      SER  17  -4.421  -0.757  -6.749
  140    HG   SER  17           HG       SER  17  -2.700   0.200  -5.563
  141    H    ALA  18           HN       ALA  18  -6.779   2.590  -6.860
  142    HA   ALA  18           HA       ALA  18  -8.994   0.782  -7.538
  143    HB1  ALA  18           HB1      ALA  18 -10.249   2.044  -5.830
  144    HB2  ALA  18           HB2      ALA  18  -8.812   3.017  -5.508
  145    HB3  ALA  18           HB3      ALA  18  -8.806   1.292  -5.148
  146    H    GLY  19           HN       GLY  19  -7.484   2.588  -9.261
  147    HA2  GLY  19           HA2      GLY  19  -8.861   5.026  -9.720
  148    HA3  GLY  19           HA1      GLY  19  -7.696   4.268 -10.792
  149    H    GLU  20           HN       GLU  20 -10.950   3.747  -9.640
  150    HA   GLU  20           HA       GLU  20 -12.088   4.076 -12.147
  151    HB2  GLU  20           HB2      GLU  20 -13.155   1.750 -12.284
  152    HB3  GLU  20           HB1      GLU  20 -11.475   1.870 -12.734
  153    HG2  GLU  20           HG2      GLU  20 -11.488  -0.090 -11.537
  154    HG3  GLU  20           HG1      GLU  20 -11.056   1.058 -10.279
  155    H    THR  21           HN       THR  21 -13.583   5.303 -11.710
  156    HA   THR  21           HA       THR  21 -15.303   6.400 -10.759
  157    HB   THR  21           HB       THR  21 -15.968   3.830  -9.412
  158    HG1  THR  21           HG1      THR  21 -16.452   3.074 -11.329
  159   HG21  THR  21          HG21      THR  21 -17.730   6.126 -10.313
  160   HG22  THR  21          HG22      THR  21 -17.313   5.720  -8.648
  161   HG23  THR  21          HG23      THR  21 -18.329   4.630  -9.592
  162    H    ASP  22           HN       ASP  22 -13.295   7.098  -9.619
  163    HA   ASP  22           HA       ASP  22 -12.529   8.362  -7.875
  164    HB2  ASP  22           HB2      ASP  22 -14.923   8.766  -7.304
  165    HB3  ASP  22           HB1      ASP  22 -14.883   7.350  -6.261
  166    H    GLY  23           HN       GLY  23 -13.791   5.377  -6.519
  167    HA2  GLY  23           HA2      GLY  23 -12.226   3.640  -5.903
  168    HA3  GLY  23           HA1      GLY  23 -11.167   4.922  -5.307
  169    H    THR  24           HN       THR  24 -11.410   5.653  -3.369
  170    HA   THR  24           HA       THR  24 -13.746   5.004  -1.799
  171    HB   THR  24           HB       THR  24 -12.002   4.369   0.066
  172    HG1  THR  24           HG1      THR  24 -10.586   3.323  -2.116
  173   HG21  THR  24          HG21      THR  24 -12.158   1.990  -0.555
  174   HG22  THR  24          HG22      THR  24 -12.659   2.448  -2.183
  175   HG23  THR  24          HG23      THR  24 -13.698   2.811  -0.804
  176    H    ASP  25           HN       ASP  25 -13.468   6.192   0.446
  177    HA   ASP  25           HA       ASP  25 -12.611   8.843  -0.215
  178    HB2  ASP  25           HB2      ASP  25 -13.483   9.561   1.944
  179    HB3  ASP  25           HB1      ASP  25 -14.639   8.461   1.229
  180    H    LEU  26           HN       LEU  26 -11.695   6.522   2.264
  181    HA   LEU  26           HA       LEU  26  -9.689   5.790   3.028
  182    HB2  LEU  26           HB2      LEU  26  -9.461   5.688   0.468
  183    HB3  LEU  26           HB1      LEU  26  -8.436   7.091   0.631
  184    HG   LEU  26           HG       LEU  26  -6.972   5.702   2.151
  185   HD11  LEU  26          HD11      LEU  26  -7.199   3.277   1.973
  186   HD12  LEU  26          HD12      LEU  26  -8.691   3.482   1.053
  187   HD13  LEU  26          HD13      LEU  26  -8.612   4.005   2.736
  188   HD21  LEU  26          HD21      LEU  26  -5.911   4.530   0.285
  189   HD22  LEU  26          HD22      LEU  26  -6.396   6.160  -0.176
  190   HD23  LEU  26          HD23      LEU  26  -7.356   4.773  -0.692
  191    H    SER  27           HN       SER  27 -10.495   8.828   3.472
  192    HA   SER  27           HA       SER  27  -7.840   9.913   3.837
  193    HB2  SER  27           HB2      SER  27  -9.086  12.083   4.263
  194    HB3  SER  27           HB1      SER  27  -9.207  11.405   2.640
  195    HG   SER  27           HG       SER  27 -11.174  12.130   3.486
  196    H    GLY  28           HN       GLY  28  -9.733   8.156   5.661
  197    HA2  GLY  28           HA2      GLY  28  -9.074   9.588   8.148
  198    HA3  GLY  28           HA1      GLY  28 -10.191   8.231   8.025
  199    H    ASP  29           HN       ASP  29  -9.233   6.910   9.514
  200    HA   ASP  29           HA       ASP  29  -6.457   6.161   9.016
  201    HB2  ASP  29           HB2      ASP  29  -6.904   6.545  11.381
  202    HB3  ASP  29           HB1      ASP  29  -8.271   5.432  11.337
  203    H    PHE  30           HN       PHE  30  -6.483   4.949   7.356
  204    HA   PHE  30           HA       PHE  30  -8.491   2.845   7.122
  205    HB2  PHE  30           HB2      PHE  30  -7.719   2.668   4.784
  206    HB3  PHE  30           HB1      PHE  30  -8.262   4.288   5.189
  207    HD1  PHE  30           HD1      PHE  30  -6.596   6.114   5.461
  208    HD2  PHE  30           HD2      PHE  30  -5.463   2.239   4.119
  209    HE1  PHE  30           HE1      PHE  30  -4.483   7.031   4.604
  210    HE2  PHE  30           HE2      PHE  30  -3.345   3.151   3.266
  211    HZ   PHE  30           HZ       PHE  30  -2.853   5.548   3.506
  212    H    LEU  31           HN       LEU  31  -5.631   3.134   8.543
  213    HA   LEU  31           HA       LEU  31  -4.147   1.034   7.319
  214    HB2  LEU  31           HB2      LEU  31  -3.731   2.462   9.942
  215    HB3  LEU  31           HB1      LEU  31  -2.650   1.237   9.325
  216    HG   LEU  31           HG       LEU  31  -1.672   3.359   8.918
  217   HD11  LEU  31          HD11      LEU  31  -1.312   1.766   7.173
  218   HD12  LEU  31          HD12      LEU  31  -1.409   3.392   6.500
  219   HD13  LEU  31          HD13      LEU  31  -2.779   2.293   6.347
  220   HD21  LEU  31          HD21      LEU  31  -3.637   4.779   9.053
  221   HD22  LEU  31          HD22      LEU  31  -4.211   4.165   7.502
  222   HD23  LEU  31          HD23      LEU  31  -2.729   5.122   7.578
  223    H    ASP  32           HN       ASP  32  -6.462   1.202   9.858
  224    HA   ASP  32           HA       ASP  32  -5.822  -1.517  10.730
  225    HB2  ASP  32           HB2      ASP  32  -6.273   0.324  12.382
  226    HB3  ASP  32           HB1      ASP  32  -7.937   0.340  11.814
  227    H    LEU  33           HN       LEU  33  -7.779   0.037   8.546
  228    HA   LEU  33           HA       LEU  33 -10.078  -1.680   8.691
  229    HB2  LEU  33           HB2      LEU  33  -9.189   0.492   6.852
  230    HB3  LEU  33           HB1      LEU  33 -10.442  -0.610   6.338
  231    HG   LEU  33           HG       LEU  33 -11.883   0.124   8.153
  232   HD11  LEU  33          HD11      LEU  33 -11.272   1.976   9.603
  233   HD12  LEU  33          HD12      LEU  33  -9.649   1.999   8.914
  234   HD13  LEU  33          HD13      LEU  33 -10.187   0.608   9.853
  235   HD21  LEU  33          HD21      LEU  33 -11.936   1.297   6.057
  236   HD22  LEU  33          HD22      LEU  33 -10.650   2.374   6.600
  237   HD23  LEU  33          HD23      LEU  33 -12.227   2.410   7.392
  238    H    ARG  34           HN       ARG  34 -10.498  -3.399   7.500
  239    HA   ARG  34           HA       ARG  34  -8.257  -4.544   6.119
  240    HB2  ARG  34           HB2      ARG  34 -11.024  -5.614   6.614
  241    HB3  ARG  34           HB1      ARG  34  -9.701  -6.512   5.874
  242    HG2  ARG  34           HG2      ARG  34  -8.391  -6.092   7.890
  243    HG3  ARG  34           HG1      ARG  34  -9.839  -5.456   8.691
  244    HD2  ARG  34           HD2      ARG  34  -9.560  -7.771   9.302
  245    HD3  ARG  34           HD1      ARG  34 -10.929  -7.660   8.188
  246    HE   ARG  34           HE       ARG  34  -9.505  -8.398   6.444
  247   HH11  ARG  34          HH11      ARG  34  -8.650  -9.304   9.750
  248   HH12  ARG  34          HH12      ARG  34  -7.354 -10.320   9.294
  249   HH21  ARG  34          HH21      ARG  34  -7.678  -9.749   5.812
  250   HH22  ARG  34          HH22      ARG  34  -6.724 -10.523   7.004
  251    H    PHE  35           HN       PHE  35  -8.492  -5.448   3.998
  252    HA   PHE  35           HA       PHE  35  -9.315  -3.378   2.263
  253    HB2  PHE  35           HB2      PHE  35  -8.235  -6.121   1.656
  254    HB3  PHE  35           HB1      PHE  35  -8.504  -4.856   0.455
  255    HD1  PHE  35           HD2      PHE  35  -7.391  -2.567   0.987
  256    HD2  PHE  35           HD1      PHE  35  -6.168  -6.273   2.655
  257    HE1  PHE  35           HE2      PHE  35  -5.187  -1.610   1.480
  258    HE2  PHE  35           HE1      PHE  35  -3.965  -5.319   3.162
  259    HZ   PHE  35           HZ       PHE  35  -3.469  -2.991   2.570
  260    H    GLU  36           HN       GLU  36 -10.825  -6.173   3.421
  261    HA   GLU  36           HA       GLU  36 -12.679  -6.594   1.353
  262    HB2  GLU  36           HB2      GLU  36 -13.231  -7.055   4.292
  263    HB3  GLU  36           HB1      GLU  36 -14.041  -7.814   2.935
  264    HG2  GLU  36           HG2      GLU  36 -12.642  -9.485   3.652
  265    HG3  GLU  36           HG1      GLU  36 -11.675  -8.742   2.381
  266    H    ASP  37           HN       ASP  37 -12.633  -4.280   3.985
  267    HA   ASP  37           HA       ASP  37 -15.340  -3.414   3.652
  268    HB2  ASP  37           HB2      ASP  37 -14.282  -2.964   5.771
  269    HB3  ASP  37           HB1      ASP  37 -12.994  -2.055   4.984
  270    H    ILE  38           HN       ILE  38 -12.248  -2.228   2.578
  271    HA   ILE  38           HA       ILE  38 -13.548  -0.134   1.109
  272    HB   ILE  38           HB       ILE  38 -11.191   0.523   0.432
  273   HG12  ILE  38          HG12      ILE  38 -10.494  -1.588   2.501
  274   HG13  ILE  38          HG11      ILE  38 -10.093  -1.650   0.791
  275   HG21  ILE  38          HG21      ILE  38 -12.421   1.639   2.199
  276   HG22  ILE  38          HG22      ILE  38 -10.717   1.500   2.646
  277   HG23  ILE  38          HG23      ILE  38 -11.912   0.411   3.355
  278   HD11  ILE  38          HD11      ILE  38  -9.038   0.340   2.792
  279   HD12  ILE  38          HD12      ILE  38  -8.642   0.306   1.074
  280   HD13  ILE  38          HD13      ILE  38  -8.157  -1.031   2.116
  281    H    GLY  39           HN       GLY  39 -13.551  -3.107   0.451
  282    HA2  GLY  39           HA2      GLY  39 -13.855  -4.398  -1.427
  283    HA3  GLY  39           HA1      GLY  39 -14.251  -2.888  -2.226
  284    H    TYR  40           HN       TYR  40 -11.138  -3.980  -0.891
  285    HA   TYR  40           HA       TYR  40  -9.967  -3.288  -3.441
  286    HB2  TYR  40           HB2      TYR  40  -9.080  -3.298  -0.668
  287    HB3  TYR  40           HB1      TYR  40  -7.894  -3.860  -1.833
  288    HD1  TYR  40           HD1      TYR  40 -10.208  -1.037  -1.128
  289    HD2  TYR  40           HD2      TYR  40  -6.639  -2.310  -3.025
  290    HE1  TYR  40           HE1      TYR  40  -9.671   1.297  -1.645
  291    HE2  TYR  40           HE2      TYR  40  -6.063  -0.015  -3.551
  292    HH   TYR  40           HH       TYR  40  -7.684   2.649  -2.120
  293    H    ASP  41           HN       ASP  41  -9.073  -4.623  -4.716
  294    HA   ASP  41           HA       ASP  41  -9.114  -7.485  -4.232
  295    HB2  ASP  41           HB2      ASP  41  -8.112  -5.847  -6.574
  296    HB3  ASP  41           HB1      ASP  41  -8.089  -7.598  -6.508
  297    H    SER  42           HN       SER  42  -7.244  -8.768  -4.058
  298    HA   SER  42           HA       SER  42  -4.983  -7.767  -2.816
  299    HB2  SER  42           HB2      SER  42  -4.961 -10.217  -4.531
  300    HB3  SER  42           HB1      SER  42  -4.274  -9.974  -2.915
  301    H    LEU  43           HN       LEU  43  -5.791  -8.325  -6.167
  302    HA   LEU  43           HA       LEU  43  -3.265  -7.997  -7.360
  303    HB2  LEU  43           HB2      LEU  43  -6.044  -7.604  -8.478
  304    HB3  LEU  43           HB1      LEU  43  -4.602  -7.438  -9.451
  305    HG   LEU  43           HG       LEU  43  -5.542  -9.561  -9.900
  306   HD11  LEU  43          HD11      LEU  43  -3.160  -9.903  -8.119
  307   HD12  LEU  43          HD12      LEU  43  -3.160  -9.524  -9.840
  308   HD13  LEU  43          HD13      LEU  43  -3.754 -11.090  -9.282
  309   HD21  LEU  43          HD21      LEU  43  -5.491 -10.126  -6.931
  310   HD22  LEU  43          HD22      LEU  43  -5.916 -11.293  -8.184
  311   HD23  LEU  43          HD23      LEU  43  -6.933  -9.876  -7.918
  312    H    ALA  44           HN       ALA  44  -5.771  -5.719  -6.459
  313    HA   ALA  44           HA       ALA  44  -4.620  -3.452  -7.700
  314    HB1  ALA  44           HB1      ALA  44  -6.981  -3.509  -7.014
  315    HB2  ALA  44           HB2      ALA  44  -6.132  -2.157  -6.268
  316    HB3  ALA  44           HB3      ALA  44  -6.485  -3.604  -5.325
  317    H    LEU  45           HN       LEU  45  -4.371  -4.938  -4.538
  318    HA   LEU  45           HA       LEU  45  -2.832  -2.983  -3.255
  319    HB2  LEU  45           HB2      LEU  45  -2.675  -5.961  -2.838
  320    HB3  LEU  45           HB1      LEU  45  -2.196  -4.728  -1.694
  321    HG   LEU  45           HG       LEU  45  -5.002  -5.262  -2.628
  322   HD11  LEU  45          HD11      LEU  45  -4.149  -6.988  -1.151
  323   HD12  LEU  45          HD12      LEU  45  -5.362  -6.000  -0.335
  324   HD13  LEU  45          HD13      LEU  45  -3.651  -5.761   0.014
  325   HD21  LEU  45          HD21      LEU  45  -4.623  -2.914  -2.199
  326   HD22  LEU  45          HD22      LEU  45  -3.908  -3.307  -0.633
  327   HD23  LEU  45          HD23      LEU  45  -5.623  -3.624  -0.927
  328    H    MET  46           HN       MET  46  -2.037  -5.770  -5.190
  329    HA   MET  46           HA       MET  46   0.758  -5.681  -5.051
  330    HB2  MET  46           HB2      MET  46  -1.138  -6.816  -7.087
  331    HB3  MET  46           HB1      MET  46   0.606  -6.929  -7.276
  332    HG2  MET  46           HG2      MET  46   0.834  -8.279  -5.358
  333    HG3  MET  46           HG1      MET  46  -0.787  -7.861  -4.823
  334    HE1  MET  46           HE1      MET  46   1.131  -9.591  -7.863
  335    HE2  MET  46           HE2      MET  46  -0.138  -8.609  -8.597
  336    HE3  MET  46           HE3      MET  46  -0.229 -10.369  -8.675
  337    H    GLU  47           HN       GLU  47  -1.528  -4.046  -7.178
  338    HA   GLU  47           HA       GLU  47   0.458  -2.942  -8.869
  339    HB2  GLU  47           HB2      GLU  47  -1.947  -3.131  -9.441
  340    HB3  GLU  47           HB1      GLU  47  -2.301  -1.854  -8.287
  341    HG2  GLU  47           HG2      GLU  47  -0.798  -0.323  -9.533
  342    HG3  GLU  47           HG1      GLU  47  -0.583  -1.575 -10.748
  343    H    THR  48           HN       THR  48  -1.177  -1.815  -5.952
  344    HA   THR  48           HA       THR  48  -0.176   0.728  -5.614
  345    HB   THR  48           HB       THR  48  -0.411  -1.391  -3.454
  346    HG1  THR  48           HG1      THR  48  -2.570  -0.811  -3.354
  347   HG21  THR  48          HG21      THR  48  -0.729   1.618  -3.349
  348   HG22  THR  48          HG22      THR  48   0.643   0.700  -2.718
  349   HG23  THR  48          HG23      THR  48  -0.958   0.500  -2.002
  350    H    ALA  49           HN       ALA  49   1.240  -2.306  -4.375
  351    HA   ALA  49           HA       ALA  49   3.653  -1.156  -3.514
  352    HB1  ALA  49           HB1      ALA  49   4.463  -3.445  -3.290
  353    HB2  ALA  49           HB2      ALA  49   3.098  -4.035  -4.241
  354    HB3  ALA  49           HB3      ALA  49   2.824  -3.292  -2.661
  355    H    ALA  50           HN       ALA  50   2.708  -2.624  -6.582
  356    HA   ALA  50           HA       ALA  50   5.218  -2.866  -7.758
  357    HB1  ALA  50           HB1      ALA  50   4.071  -2.968  -9.891
  358    HB2  ALA  50           HB2      ALA  50   2.612  -2.293  -9.160
  359    HB3  ALA  50           HB3      ALA  50   3.183  -3.888  -8.674
  360    H    ARG  51           HN       ARG  51   2.991  -0.101  -7.780
  361    HA   ARG  51           HA       ARG  51   4.620   1.432  -9.546
  362    HB2  ARG  51           HB2      ARG  51   3.130   3.230  -9.218
  363    HB3  ARG  51           HB1      ARG  51   2.120   1.809  -9.021
  364    HG2  ARG  51           HG2      ARG  51   2.305   2.073  -6.563
  365    HG3  ARG  51           HG1      ARG  51   3.233   3.548  -6.824
  366    HD2  ARG  51           HD2      ARG  51   1.067   4.326  -6.469
  367    HD3  ARG  51           HD1      ARG  51   1.215   4.316  -8.222
  368    HE   ARG  51           HE       ARG  51  -0.343   2.484  -6.565
  369   HH11  ARG  51          HH11      ARG  51   0.468   3.638  -9.827
  370   HH12  ARG  51          HH12      ARG  51  -0.860   2.816 -10.547
  371   HH21  ARG  51          HH21      ARG  51  -2.115   1.382  -7.613
  372   HH22  ARG  51          HH22      ARG  51  -2.296   1.440  -9.280
  373    H    LEU  52           HN       LEU  52   4.706   0.795  -6.202
  374    HA   LEU  52           HA       LEU  52   6.338   3.072  -5.562
  375    HB2  LEU  52           HB2      LEU  52   5.648   0.644  -3.903
  376    HB3  LEU  52           HB1      LEU  52   6.445   2.091  -3.308
  377    HG   LEU  52           HG       LEU  52   3.624   1.929  -4.368
  378   HD11  LEU  52          HD11      LEU  52   4.641   2.356  -1.574
  379   HD12  LEU  52          HD12      LEU  52   3.830   0.914  -2.187
  380   HD13  LEU  52          HD13      LEU  52   2.956   2.441  -2.084
  381   HD21  LEU  52          HD21      LEU  52   3.417   4.258  -3.647
  382   HD22  LEU  52          HD22      LEU  52   4.639   4.073  -4.908
  383   HD23  LEU  52          HD23      LEU  52   5.131   4.280  -3.229
  384    H    GLU  53           HN       GLU  53   6.722  -0.331  -6.268
  385    HA   GLU  53           HA       GLU  53   9.418  -0.738  -5.737
  386    HB2  GLU  53           HB2      GLU  53   7.815  -1.741  -8.099
  387    HB3  GLU  53           HB1      GLU  53   9.410  -2.319  -7.667
  388    HG2  GLU  53           HG2      GLU  53   8.496  -3.158  -5.553
  389    HG3  GLU  53           HG1      GLU  53   6.891  -2.615  -6.059
  390    H    SER  54           HN       SER  54   7.894   0.416  -8.716
  391    HA   SER  54           HA       SER  54  10.320   0.903 -10.040
  392    HB2  SER  54           HB2      SER  54   8.697   2.092 -11.633
  393    HB3  SER  54           HB1      SER  54   8.503   0.356 -11.377
  394    HG   SER  54           HG       SER  54   6.936   2.503 -10.481
  395    H    ARG  55           HN       ARG  55   8.386   2.813  -7.887
  396    HA   ARG  55           HA       ARG  55   9.387   5.329  -8.850
  397    HB2  ARG  55           HB2      ARG  55   7.127   4.858  -7.600
  398    HB3  ARG  55           HB1      ARG  55   8.105   5.010  -6.150
  399    HG2  ARG  55           HG2      ARG  55   8.786   7.228  -6.796
  400    HG3  ARG  55           HG1      ARG  55   7.833   7.127  -8.284
  401    HD2  ARG  55           HD2      ARG  55   6.448   8.330  -6.850
  402    HD3  ARG  55           HD1      ARG  55   5.850   6.684  -6.651
  403    HE   ARG  55           HE       ARG  55   7.897   7.541  -4.807
  404   HH11  ARG  55          HH11      ARG  55   4.330   7.114  -5.262
  405   HH12  ARG  55          HH12      ARG  55   4.073   7.308  -3.575
  406   HH21  ARG  55          HH21      ARG  55   7.279   7.793  -2.464
  407   HH22  ARG  55          HH22      ARG  55   5.603   7.666  -2.124
  408    H    TYR  56           HN       TYR  56  10.394   3.006  -6.459
  409    HA   TYR  56           HA       TYR  56  12.457   4.909  -5.558
  410    HB2  TYR  56           HB2      TYR  56  11.116   2.719  -4.020
  411    HB3  TYR  56           HB1      TYR  56  12.620   3.464  -3.494
  412    HD1  TYR  56           HD2      TYR  56   9.039   4.012  -4.074
  413    HD2  TYR  56           HD1      TYR  56  12.658   5.667  -2.592
  414    HE1  TYR  56           HE2      TYR  56   7.776   5.790  -2.987
  415    HE2  TYR  56           HE1      TYR  56  11.397   7.467  -1.500
  416    HH   TYR  56           HH       TYR  56   9.285   8.573  -1.630
  417    H    GLY  57           HN       GLY  57  12.098   2.041  -7.273
  418    HA2  GLY  57           HA2      GLY  57  13.772   0.730  -8.194
  419    HA3  GLY  57           HA1      GLY  57  14.959   1.660  -7.280
  420    H    VAL  58           HN       VAL  58  12.147  -0.148  -6.250
  421    HA   VAL  58           HA       VAL  58  13.870  -1.935  -4.712
  422    HB   VAL  58           HB       VAL  58  12.833  -0.101  -3.273
  423   HG11  VAL  58          HG11      VAL  58  10.456  -0.241  -2.657
  424   HG12  VAL  58          HG12      VAL  58  10.228  -1.420  -3.944
  425   HG13  VAL  58          HG13      VAL  58  10.738   0.221  -4.335
  426   HG21  VAL  58          HG21      VAL  58  11.948  -2.896  -2.530
  427   HG22  VAL  58          HG22      VAL  58  12.132  -1.536  -1.427
  428   HG23  VAL  58          HG23      VAL  58  13.544  -2.204  -2.240
  429    H    SER  59           HN       SER  59  12.327  -3.963  -4.063
  430    HA   SER  59           HA       SER  59  10.245  -4.232  -6.033
  431    HB2  SER  59           HB2      SER  59  12.370  -5.151  -7.013
  432    HB3  SER  59           HB1      SER  59  12.411  -6.321  -5.696
  433    HG   SER  59           HG       SER  59  10.061  -6.088  -7.180
  434    H    ILE  60           HN       ILE  60   8.692  -5.654  -5.486
  435    HA   ILE  60           HA       ILE  60   8.805  -6.974  -2.880
  436    HB   ILE  60           HB       ILE  60   6.560  -5.155  -3.831
  437   HG12  ILE  60          HG12      ILE  60   8.345  -4.987  -1.386
  438   HG13  ILE  60          HG11      ILE  60   8.415  -3.942  -2.799
  439   HG21  ILE  60          HG21      ILE  60   5.600  -7.140  -2.832
  440   HG22  ILE  60          HG22      ILE  60   5.366  -5.753  -1.770
  441   HG23  ILE  60          HG23      ILE  60   6.617  -6.943  -1.405
  442   HD11  ILE  60          HD11      ILE  60   7.316  -2.842  -0.933
  443   HD12  ILE  60          HD12      ILE  60   6.123  -4.140  -0.860
  444   HD13  ILE  60          HD13      ILE  60   6.191  -3.083  -2.271
  445    HA   PRO  61           HA       PRO  61   7.375 -10.238  -5.680
  446    HB2  PRO  61           HB2      PRO  61   7.057 -11.537  -3.013
  447    HB3  PRO  61           HB1      PRO  61   7.842 -12.154  -4.473
  448    HG2  PRO  61           HG2      PRO  61   9.309 -11.306  -2.431
  449    HG3  PRO  61           HG1      PRO  61   9.789 -10.940  -4.098
  450    HD2  PRO  61           HD2      PRO  61   8.501  -9.169  -2.066
  451    HD3  PRO  61           HD1      PRO  61   9.754  -8.788  -3.265
  452    H    ASP  62           HN       ASP  62   5.377 -11.021  -6.174
  453    HA   ASP  62           HA       ASP  62   3.136  -9.538  -5.371
  454    HB2  ASP  62           HB2      ASP  62   1.781 -10.917  -6.782
  455    HB3  ASP  62           HB1      ASP  62   3.331 -10.705  -7.572
  456    H    ASP  63           HN       ASP  63   4.375 -12.531  -4.140
  457    HA   ASP  63           HA       ASP  63   2.053 -13.302  -2.662
  458    HB2  ASP  63           HB2      ASP  63   4.940 -14.108  -2.408
  459    HB3  ASP  63           HB1      ASP  63   3.721 -14.665  -1.273
  460    H    VAL  64           HN       VAL  64   4.313 -10.897  -2.177
  461    HA   VAL  64           HA       VAL  64   4.013 -10.766   0.711
  462    HB   VAL  64           HB       VAL  64   5.241  -8.838  -1.247
  463   HG11  VAL  64          HG11      VAL  64   4.682  -7.783   0.893
  464   HG12  VAL  64          HG12      VAL  64   6.431  -7.936   0.744
  465   HG13  VAL  64          HG13      VAL  64   5.531  -9.059   1.766
  466   HG21  VAL  64          HG21      VAL  64   6.555 -10.977   0.430
  467   HG22  VAL  64          HG22      VAL  64   7.413  -9.771  -0.531
  468   HG23  VAL  64          HG23      VAL  64   6.388 -10.969  -1.326
  469    H    ALA  65           HN       ALA  65   3.278  -8.709  -2.075
  470    HA   ALA  65           HA       ALA  65   1.728  -6.791  -0.703
  471    HB1  ALA  65           HB1      ALA  65   1.641  -7.513  -3.623
  472    HB2  ALA  65           HB2      ALA  65   2.776  -6.383  -2.881
  473    HB3  ALA  65           HB3      ALA  65   1.047  -6.021  -2.894
  474    H    GLY  66           HN       GLY  66   0.824  -9.832  -2.236
  475    HA2  GLY  66           HA2      GLY  66  -1.984  -9.282  -1.636
  476    HA3  GLY  66           HA1      GLY  66  -1.368 -10.640  -2.574
  477    H    ARG  67           HN       ARG  67  -0.258  -9.529   0.548
  478    HA   ARG  67           HA       ARG  67  -1.450 -11.849   1.893
  479    HB2  ARG  67           HB2      ARG  67   0.778 -12.483   0.984
  480    HB3  ARG  67           HB1      ARG  67   1.495 -11.194   1.919
  481    HG2  ARG  67           HG2      ARG  67   0.954 -12.333   3.967
  482    HG3  ARG  67           HG1      ARG  67   0.086 -13.587   3.069
  483    HD2  ARG  67           HD2      ARG  67   2.125 -14.201   1.915
  484    HD3  ARG  67           HD1      ARG  67   3.002 -12.918   2.739
  485    HE   ARG  67           HE       ARG  67   2.501 -14.142   4.817
  486   HH11  ARG  67          HH11      ARG  67   2.455 -15.924   1.722
  487   HH12  ARG  67          HH12      ARG  67   3.003 -17.378   2.381
  488   HH21  ARG  67          HH21      ARG  67   3.278 -16.182   5.741
  489   HH22  ARG  67          HH22      ARG  67   3.509 -17.525   4.726
  490    H    VAL  68           HN       VAL  68  -1.529  -8.812   1.817
  491    HA   VAL  68           HA       VAL  68  -0.782  -8.270   4.588
  492    HB   VAL  68           HB       VAL  68  -0.927  -5.835   4.009
  493   HG11  VAL  68          HG11      VAL  68   1.160  -5.728   2.720
  494   HG12  VAL  68          HG12      VAL  68   0.985  -7.434   2.318
  495   HG13  VAL  68          HG13      VAL  68   1.219  -6.942   3.995
  496   HG21  VAL  68          HG21      VAL  68  -0.959  -5.133   1.650
  497   HG22  VAL  68          HG22      VAL  68  -2.449  -5.972   2.082
  498   HG23  VAL  68          HG23      VAL  68  -1.200  -6.808   1.158
  499    H    ASP  69           HN       ASP  69  -2.296  -8.309   5.980
  500    HA   ASP  69           HA       ASP  69  -5.059  -8.594   5.340
  501    HB2  ASP  69           HB2      ASP  69  -3.755  -7.978   8.003
  502    HB3  ASP  69           HB1      ASP  69  -5.454  -8.373   7.790
  503    H    THR  70           HN       THR  70  -3.168  -5.961   6.773
  504    HA   THR  70           HA       THR  70  -5.316  -4.187   5.957
  505    HB   THR  70           HB       THR  70  -4.746  -2.794   8.028
  506    HG1  THR  70           HG1      THR  70  -2.930  -4.793   8.423
  507   HG21  THR  70          HG21      THR  70  -6.152  -4.140   9.529
  508   HG22  THR  70          HG22      THR  70  -5.949  -5.528   8.459
  509   HG23  THR  70          HG23      THR  70  -6.802  -4.091   7.890
  510    HA   PRO  71           HA       PRO  71  -2.374  -1.734   3.789
  511    HB2  PRO  71           HB2      PRO  71  -3.386   0.700   5.146
  512    HB3  PRO  71           HB1      PRO  71  -3.324   0.313   3.421
  513    HG2  PRO  71           HG2      PRO  71  -5.631   0.274   4.731
  514    HG3  PRO  71           HG1      PRO  71  -5.261  -0.951   3.500
  515    HD2  PRO  71           HD2      PRO  71  -5.152  -1.162   6.483
  516    HD3  PRO  71           HD1      PRO  71  -5.771  -2.329   5.296
  517    H    ARG  72           HN       ARG  72  -2.527  -1.497   7.193
  518    HA   ARG  72           HA       ARG  72  -0.374   0.178   7.788
  519    HB2  ARG  72           HB2      ARG  72  -2.035  -0.699   9.416
  520    HB3  ARG  72           HB1      ARG  72  -1.322  -2.292   9.255
  521    HG2  ARG  72           HG2      ARG  72   0.788  -1.404  10.153
  522    HG3  ARG  72           HG1      ARG  72   0.004   0.163  10.377
  523    HD2  ARG  72           HD2      ARG  72  -0.865  -2.435  11.634
  524    HD3  ARG  72           HD1      ARG  72   0.046  -1.164  12.442
  525    HE   ARG  72           HE       ARG  72  -1.975   0.265  11.861
  526   HH11  ARG  72          HH11      ARG  72  -2.185  -3.209  12.576
  527   HH12  ARG  72          HH12      ARG  72  -3.692  -3.127  13.335
  528   HH21  ARG  72          HH21      ARG  72  -4.146   0.374  12.843
  529   HH22  ARG  72          HH22      ARG  72  -4.870  -1.070  13.404
  530    H    GLU  73           HN       GLU  73  -0.542  -3.271   7.015
  531    HA   GLU  73           HA       GLU  73   2.249  -3.735   7.362
  532    HB2  GLU  73           HB2      GLU  73   0.151  -5.381   5.946
  533    HB3  GLU  73           HB1      GLU  73   1.812  -5.893   6.128
  534    HG2  GLU  73           HG2      GLU  73   0.586  -7.013   7.778
  535    HG3  GLU  73           HG1      GLU  73   1.453  -5.730   8.614
  536    H    LEU  74           HN       LEU  74   0.179  -2.988   4.661
  537    HA   LEU  74           HA       LEU  74   2.054  -3.436   2.585
  538    HB2  LEU  74           HB2      LEU  74  -0.512  -3.065   2.461
  539    HB3  LEU  74           HB1      LEU  74  -0.155  -1.360   2.525
  540    HG   LEU  74           HG       LEU  74  -0.681  -2.179   0.259
  541   HD11  LEU  74          HD11      LEU  74   1.182  -1.165  -0.958
  542   HD12  LEU  74          HD12      LEU  74   2.150  -1.192   0.520
  543   HD13  LEU  74          HD13      LEU  74   0.697  -0.198   0.438
  544   HD21  LEU  74          HD21      LEU  74   0.214  -4.414   0.404
  545   HD22  LEU  74          HD22      LEU  74   1.855  -3.779   0.525
  546   HD23  LEU  74          HD23      LEU  74   0.934  -3.564  -0.965
  547    H    LEU  75           HN       LEU  75   1.279  -0.598   4.530
  548    HA   LEU  75           HA       LEU  75   3.114   1.230   3.404
  549    HB2  LEU  75           HB2      LEU  75   1.257   1.845   4.916
  550    HB3  LEU  75           HB1      LEU  75   2.055   1.004   6.223
  551    HG   LEU  75           HG       LEU  75   3.912   2.655   6.123
  552   HD11  LEU  75          HD11      LEU  75   2.155   4.058   4.130
  553   HD12  LEU  75          HD12      LEU  75   3.716   3.306   3.799
  554   HD13  LEU  75          HD13      LEU  75   3.620   4.708   4.865
  555   HD21  LEU  75          HD21      LEU  75   1.155   3.828   6.472
  556   HD22  LEU  75          HD22      LEU  75   2.655   4.498   7.116
  557   HD23  LEU  75          HD23      LEU  75   2.066   2.940   7.693
  558    H    ASP  76           HN       ASP  76   3.290  -1.049   6.067
  559    HA   ASP  76           HA       ASP  76   5.846  -0.401   6.996
  560    HB2  ASP  76           HB2      ASP  76   4.258  -1.657   8.351
  561    HB3  ASP  76           HB1      ASP  76   4.358  -3.013   7.235
  562    H    LEU  77           HN       LEU  77   4.828  -2.726   4.500
  563    HA   LEU  77           HA       LEU  77   7.166  -4.087   4.055
  564    HB2  LEU  77           HB2      LEU  77   5.203  -3.029   2.024
  565    HB3  LEU  77           HB1      LEU  77   6.377  -4.292   1.759
  566    HG   LEU  77           HG       LEU  77   4.010  -4.452   3.604
  567   HD11  LEU  77          HD11      LEU  77   4.549  -5.741   0.939
  568   HD12  LEU  77          HD12      LEU  77   3.380  -4.462   1.268
  569   HD13  LEU  77          HD13      LEU  77   3.159  -6.062   1.976
  570   HD21  LEU  77          HD21      LEU  77   4.598  -6.816   3.821
  571   HD22  LEU  77          HD22      LEU  77   5.895  -5.781   4.424
  572   HD23  LEU  77          HD23      LEU  77   6.042  -6.550   2.844
  573    H    ILE  78           HN       ILE  78   6.061  -1.059   2.665
  574    HA   ILE  78           HA       ILE  78   8.371  -0.487   1.146
  575    HB   ILE  78           HB       ILE  78   6.127   1.267   2.163
  576   HG12  ILE  78          HG12      ILE  78   5.463  -0.446   0.552
  577   HG13  ILE  78          HG11      ILE  78   5.343   1.158  -0.161
  578   HG21  ILE  78          HG21      ILE  78   8.076   2.677   1.810
  579   HG22  ILE  78          HG22      ILE  78   6.862   2.975   0.563
  580   HG23  ILE  78          HG23      ILE  78   8.287   2.009   0.191
  581   HD11  ILE  78          HD11      ILE  78   7.467   0.789  -1.339
  582   HD12  ILE  78          HD12      ILE  78   6.271  -0.438  -1.749
  583   HD13  ILE  78          HD13      ILE  78   7.576  -0.819  -0.629
  584    H    ASN  79           HN       ASN  79   7.228   0.780   4.270
  585    HA   ASN  79           HA       ASN  79   9.442   2.453   4.739
  586    HB2  ASN  79           HB2      ASN  79   7.588   1.190   6.774
  587    HB3  ASN  79           HB1      ASN  79   8.771   2.433   7.146
  588   HD21  ASN  79          HD21      ASN  79   8.186   3.829   4.563
  589   HD22  ASN  79          HD22      ASN  79   6.666   4.610   4.832
  590    H    GLY  80           HN       GLY  80   9.020  -0.939   5.342
  591    HA2  GLY  80           HA2      GLY  80  11.374  -1.175   6.943
  592    HA3  GLY  80           HA1      GLY  80  10.464  -2.489   6.209
  593    H    ALA  81           HN       ALA  81  10.571  -2.094   3.606
  594    HA   ALA  81           HA       ALA  81  13.081  -3.060   2.913
  595    HB1  ALA  81           HB1      ALA  81  11.042  -3.491   1.623
  596    HB2  ALA  81           HB2      ALA  81  12.358  -2.903   0.607
  597    HB3  ALA  81           HB3      ALA  81  11.048  -1.817   1.069
  598    H    LEU  82           HN       LEU  82  11.801   0.221   2.556
  599    HA   LEU  82           HA       LEU  82  14.082   1.145   1.118
  600    HB2  LEU  82           HB2      LEU  82  11.918   2.684   2.525
  601    HB3  LEU  82           HB1      LEU  82  13.137   3.403   1.490
  602    HG   LEU  82           HG       LEU  82  10.962   1.490   0.665
  603   HD11  LEU  82          HD11      LEU  82  10.154   3.399  -0.627
  604   HD12  LEU  82          HD12      LEU  82  11.446   4.394   0.045
  605   HD13  LEU  82          HD13      LEU  82  10.193   3.742   1.103
  606   HD21  LEU  82          HD21      LEU  82  13.123   2.778  -1.009
  607   HD22  LEU  82          HD22      LEU  82  11.778   1.818  -1.624
  608   HD23  LEU  82          HD23      LEU  82  13.008   1.066  -0.607
  609    H    ALA  83           HN       ALA  83  13.547   0.637   4.413
  610    HA   ALA  83           HA       ALA  83  15.625   2.559   5.177
  611    HB1  ALA  83           HB1      ALA  83  13.558   2.597   6.474
  612    HB2  ALA  83           HB2      ALA  83  14.943   2.148   7.471
  613    HB3  ALA  83           HB3      ALA  83  13.811   0.911   6.925
  614    H    GLU  84           HN       GLU  84  14.855  -0.869   5.314
  615    HA   GLU  84           HA       GLU  84  17.355  -1.503   6.590
  616    HB2  GLU  84           HB2      GLU  84  15.123  -3.226   5.541
  617    HB3  GLU  84           HB1      GLU  84  16.566  -3.861   6.319
  618    HG2  GLU  84           HG2      GLU  84  14.584  -1.980   7.581
  619    HG3  GLU  84           HG1      GLU  84  14.669  -3.722   7.852
  620    H    ALA  85           HN       ALA  85  16.000  -1.615   3.354
  621    HA   ALA  85           HA       ALA  85  16.748  -2.173   1.366
  622    HB1  ALA  85           HB1      ALA  85  19.514  -1.597   2.467
  623    HB2  ALA  85           HB2      ALA  85  18.411  -0.391   1.802
  624    HB3  ALA  85           HB3      ALA  85  19.061  -1.658   0.761
  625    H    ALA  86           HN       ALA  86  16.005  -4.243   1.590
  626    HA   ALA  86           HA       ALA  86  18.098  -6.252   1.812
  627    HB1  ALA  86           HB1      ALA  86  15.323  -6.459   2.991
  628    HB2  ALA  86           HB2      ALA  86  16.820  -6.260   3.905
  629    HB3  ALA  86           HB3      ALA  86  16.539  -7.737   2.984
  630   H282  PNS  87          H28A      PNS  87  -4.415 -12.067  -2.950
  631   H281  PNS  87          H28B      PNS  87  -3.791 -12.331  -1.319
  632   H303  PNS  87          H30A      PNS  87  -2.340 -14.083  -2.333
  633   H302  PNS  87          H30B      PNS  87  -3.099 -13.836  -3.908
  634   H301  PNS  87          H30C      PNS  87  -3.063 -15.446  -3.188
  635   H313  PNS  87          H31A      PNS  87  -3.724 -14.604  -0.357
  636   H312  PNS  87          H31B      PNS  87  -4.491 -15.951  -1.201
  637   H311  PNS  87          H31C      PNS  87  -5.481 -14.675  -0.498
  638    H32  PNS  87          H32A      PNS  87  -6.599 -14.269  -2.757
  639    H33  PNS  87          H33A      PNS  87  -4.974 -16.324  -3.863
  640    H36  PNS  87          H36A      PNS  87  -6.598 -15.512  -5.322
  641   H372  PNS  87          H37A      PNS  87  -6.152 -13.135  -7.047
  642   H371  PNS  87          H37B      PNS  87  -5.534 -14.701  -7.515
  643   H382  PNS  87          H38A      PNS  87  -7.496 -14.421  -8.704
  644   H381  PNS  87          H38B      PNS  87  -7.855 -15.618  -7.445
  645    H41  PNS  87          H41A      PNS  87  -7.817 -12.795  -5.827
  646   H422  PNS  87          H42A      PNS  87  -9.955 -11.210  -6.553
  647   H421  PNS  87          H42B      PNS  87 -10.633 -12.535  -5.611
  648   H431  PNS  87          H43A      PNS  87 -10.188 -10.668  -4.159
  649   H432  PNS  87          H43B      PNS  87  -8.520 -10.608  -4.714
  650    H44  PNS  87           H1       PNS  87  -8.553 -11.655  -2.133
  Start of MODEL    7
    1    H1   MET   1           HT1      MET   1  20.181   6.025   3.598
    2    H2   MET   1           HT2      MET   1  20.309   6.741   5.139
    3    H3   MET   1           HT3      MET   1  20.058   7.694   3.747
    4    HA   MET   1           HA       MET   1  18.157   5.689   4.706
    5    HB2  MET   1           HB2      MET   1  18.192   8.708   4.928
    6    HB3  MET   1           HB1      MET   1  16.711   7.778   5.046
    7    HG2  MET   1           HG2      MET   1  17.537   8.368   7.236
    8    HG3  MET   1           HG1      MET   1  17.581   6.624   7.002
    9    HE1  MET   1           HE1      MET   1  19.108   6.343   9.114
   10    HE2  MET   1           HE2      MET   1  19.037   8.083   9.379
   11    HE3  MET   1           HE3      MET   1  20.593   7.255   9.382
   12    H    ALA   2           HN       ALA   2  15.970   6.495   3.637
   13    HA   ALA   2           HA       ALA   2  16.434   7.310   0.874
   14    HB1  ALA   2           HB1      ALA   2  14.994   5.497   0.061
   15    HB2  ALA   2           HB2      ALA   2  14.896   4.841   1.697
   16    HB3  ALA   2           HB3      ALA   2  16.442   4.859   0.844
   17    H    THR   3           HN       THR   3  14.201   7.644  -0.154
   18    HA   THR   3           HA       THR   3  12.652   9.343   1.535
   19    HB   THR   3           HB       THR   3  12.063   8.251  -1.164
   20    HG1  THR   3           HG1      THR   3  14.035   9.380  -1.268
   21   HG21  THR   3          HG21      THR   3  11.055  10.743   0.226
   22   HG22  THR   3          HG22      THR   3  10.115   9.292  -0.123
   23   HG23  THR   3          HG23      THR   3  10.687  10.309  -1.444
   24    H    LEU   4           HN       LEU   4  11.441   8.343   3.080
   25    HA   LEU   4           HA       LEU   4  10.160   5.801   2.488
   26    HB2  LEU   4           HB2      LEU   4  10.072   7.454   5.023
   27    HB3  LEU   4           HB1      LEU   4   9.482   5.827   4.821
   28    HG   LEU   4           HG       LEU   4  12.387   6.615   4.635
   29   HD11  LEU   4          HD11      LEU   4  11.529   6.885   6.894
   30   HD12  LEU   4          HD12      LEU   4  12.609   5.493   6.795
   31   HD13  LEU   4          HD13      LEU   4  10.861   5.254   6.845
   32   HD21  LEU   4          HD21      LEU   4  11.045   3.917   4.701
   33   HD22  LEU   4          HD22      LEU   4  12.785   4.201   4.723
   34   HD23  LEU   4          HD23      LEU   4  11.836   4.649   3.305
   35    H    LEU   5           HN       LEU   5   8.033   5.647   1.992
   36    HA   LEU   5           HA       LEU   5   6.601   8.070   1.689
   37    HB2  LEU   5           HB2      LEU   5   4.667   6.570   0.998
   38    HB3  LEU   5           HB1      LEU   5   6.081   6.606  -0.018
   39    HG   LEU   5           HG       LEU   5   6.760   4.416   0.891
   40   HD11  LEU   5          HD11      LEU   5   4.074   4.445   2.257
   41   HD12  LEU   5          HD12      LEU   5   5.644   4.482   3.061
   42   HD13  LEU   5          HD13      LEU   5   5.162   3.063   2.132
   43   HD21  LEU   5          HD21      LEU   5   4.007   4.556  -0.281
   44   HD22  LEU   5          HD22      LEU   5   5.058   3.138  -0.273
   45   HD23  LEU   5          HD23      LEU   5   5.533   4.584  -1.160
   46    H    THR   6           HN       THR   6   4.731   8.708   2.613
   47    HA   THR   6           HA       THR   6   4.555   7.948   5.409
   48    HB   THR   6           HB       THR   6   3.262  10.058   5.602
   49    HG1  THR   6           HG1      THR   6   4.001  10.452   2.874
   50   HG21  THR   6          HG21      THR   6   5.710  10.102   5.910
   51   HG22  THR   6          HG22      THR   6   5.141  11.594   5.160
   52   HG23  THR   6          HG23      THR   6   5.921  10.357   4.177
   53    H    THR   7           HN       THR   7   2.060   8.624   6.088
   54    HA   THR   7           HA       THR   7   0.341   6.552   5.301
   55    HB   THR   7           HB       THR   7  -0.499   9.236   6.418
   56    HG1  THR   7           HG1      THR   7   0.651   7.093   7.961
   57   HG21  THR   7          HG21      THR   7  -1.395   6.403   6.985
   58   HG22  THR   7          HG22      THR   7  -2.260   7.570   5.987
   59   HG23  THR   7          HG23      THR   7  -2.067   7.858   7.718
   60    H    ASP   8           HN       ASP   8   0.486  10.020   4.581
   61    HA   ASP   8           HA       ASP   8  -1.720  10.183   2.861
   62    HB2  ASP   8           HB2      ASP   8  -0.771  12.113   3.990
   63    HB3  ASP   8           HB1      ASP   8   0.716  11.936   3.064
   64    H    ASP   9           HN       ASP   9   1.716   9.626   2.205
   65    HA   ASP   9           HA       ASP   9   1.552   9.748  -0.626
   66    HB2  ASP   9           HB2      ASP   9   3.478   8.166   1.085
   67    HB3  ASP   9           HB1      ASP   9   3.571   8.242  -0.669
   68    H    LEU  10           HN       LEU  10   1.356   7.015   1.601
   69    HA   LEU  10           HA       LEU  10   0.924   4.982  -0.241
   70    HB2  LEU  10           HB2      LEU  10   1.365   4.610   2.155
   71    HB3  LEU  10           HB1      LEU  10  -0.209   5.270   2.548
   72    HG   LEU  10           HG       LEU  10  -1.266   3.379   1.337
   73   HD11  LEU  10          HD11      LEU  10   0.086   1.427   0.753
   74   HD12  LEU  10          HD12      LEU  10   1.550   2.328   1.149
   75   HD13  LEU  10          HD13      LEU  10   0.533   2.846  -0.196
   76   HD21  LEU  10          HD21      LEU  10  -0.973   3.287   3.750
   77   HD22  LEU  10          HD22      LEU  10   0.640   2.604   3.541
   78   HD23  LEU  10          HD23      LEU  10  -0.778   1.684   3.040
   79    H    ARG  11           HN       ARG  11  -1.419   6.990   1.490
   80    HA   ARG  11           HA       ARG  11  -3.813   6.042   0.496
   81    HB2  ARG  11           HB2      ARG  11  -3.710   7.731   2.240
   82    HB3  ARG  11           HB1      ARG  11  -3.061   8.907   1.105
   83    HG2  ARG  11           HG2      ARG  11  -5.166   8.733  -0.194
   84    HG3  ARG  11           HG1      ARG  11  -5.801   7.678   1.065
   85    HD2  ARG  11           HD2      ARG  11  -6.587   9.943   1.374
   86    HD3  ARG  11           HD1      ARG  11  -5.526   9.473   2.700
   87    HE   ARG  11           HE       ARG  11  -3.815  10.854   1.735
   88   HH11  ARG  11          HH11      ARG  11  -6.908  11.237   0.073
   89   HH12  ARG  11          HH12      ARG  11  -6.725  12.910  -0.217
   90   HH21  ARG  11          HH21      ARG  11  -3.518  13.111   1.275
   91   HH22  ARG  11          HH22      ARG  11  -4.761  14.014   0.521
   92    H    ARG  12           HN       ARG  12  -1.871   8.690  -0.875
   93    HA   ARG  12           HA       ARG  12  -3.575   9.157  -3.066
   94    HB2  ARG  12           HB2      ARG  12  -0.726   9.912  -2.525
   95    HB3  ARG  12           HB1      ARG  12  -1.512  10.320  -4.043
   96    HG2  ARG  12           HG2      ARG  12  -3.195  11.601  -2.864
   97    HG3  ARG  12           HG1      ARG  12  -2.492  11.134  -1.314
   98    HD2  ARG  12           HD2      ARG  12  -0.915  12.582  -3.425
   99    HD3  ARG  12           HD1      ARG  12  -1.888  13.440  -2.233
  100    HE   ARG  12           HE       ARG  12  -0.489  12.599  -0.519
  101   HH11  ARG  12          HH11      ARG  12   0.844  11.944  -3.756
  102   HH12  ARG  12          HH12      ARG  12   2.438  11.765  -3.168
  103   HH21  ARG  12          HH21      ARG  12   1.621  12.427   0.211
  104   HH22  ARG  12          HH22      ARG  12   2.894  11.963  -0.829
  105    H    ALA  13           HN       ALA  13  -0.861   7.006  -2.717
  106    HA   ALA  13           HA       ALA  13  -0.648   6.378  -5.497
  107    HB1  ALA  13           HB1      ALA  13   0.289   4.837  -3.080
  108    HB2  ALA  13           HB2      ALA  13   1.216   6.067  -3.939
  109    HB3  ALA  13           HB3      ALA  13   0.795   4.557  -4.747
  110    H    LEU  14           HN       LEU  14  -2.159   4.904  -2.723
  111    HA   LEU  14           HA       LEU  14  -2.982   2.490  -3.858
  112    HB2  LEU  14           HB2      LEU  14  -2.611   2.989  -1.654
  113    HB3  LEU  14           HB1      LEU  14  -3.960   4.100  -1.527
  114    HG   LEU  14           HG       LEU  14  -5.458   2.067  -2.090
  115   HD11  LEU  14          HD11      LEU  14  -4.555  -0.112  -1.474
  116   HD12  LEU  14          HD12      LEU  14  -2.964   0.612  -1.246
  117   HD13  LEU  14          HD13      LEU  14  -3.698   0.583  -2.850
  118   HD21  LEU  14          HD21      LEU  14  -3.986   2.102   0.542
  119   HD22  LEU  14          HD22      LEU  14  -5.568   1.373   0.233
  120   HD23  LEU  14          HD23      LEU  14  -5.361   3.116   0.111
  121    H    VAL  15           HN       VAL  15  -4.710   5.588  -3.474
  122    HA   VAL  15           HA       VAL  15  -7.115   4.567  -4.654
  123    HB   VAL  15           HB       VAL  15  -6.284   7.475  -4.271
  124   HG11  VAL  15          HG11      VAL  15  -8.074   7.255  -5.904
  125   HG12  VAL  15          HG12      VAL  15  -8.665   8.001  -4.419
  126   HG13  VAL  15          HG13      VAL  15  -9.021   6.306  -4.759
  127   HG21  VAL  15          HG21      VAL  15  -6.352   6.285  -2.156
  128   HG22  VAL  15          HG22      VAL  15  -7.979   5.706  -2.517
  129   HG23  VAL  15          HG23      VAL  15  -7.690   7.426  -2.270
  130    H    GLU  16           HN       GLU  16  -4.171   5.646  -5.907
  131    HA   GLU  16           HA       GLU  16  -5.283   6.398  -8.444
  132    HB2  GLU  16           HB2      GLU  16  -3.017   7.137  -7.221
  133    HB3  GLU  16           HB1      GLU  16  -2.382   5.767  -8.112
  134    HG2  GLU  16           HG2      GLU  16  -3.729   8.200  -9.279
  135    HG3  GLU  16           HG1      GLU  16  -2.011   7.835  -9.310
  136    H    SER  17           HN       SER  17  -3.726   3.592  -6.932
  137    HA   SER  17           HA       SER  17  -3.538   1.885  -9.126
  138    HB2  SER  17           HB2      SER  17  -4.301   1.103  -6.315
  139    HB3  SER  17           HB1      SER  17  -3.428   0.140  -7.509
  140    HG   SER  17           HG       SER  17  -2.274   1.234  -5.756
  141    H    ALA  18           HN       ALA  18  -6.201   2.516  -6.838
  142    HA   ALA  18           HA       ALA  18  -8.134   1.383  -8.649
  143    HB1  ALA  18           HB1      ALA  18  -9.092  -0.015  -6.892
  144    HB2  ALA  18           HB2      ALA  18  -7.789   0.475  -5.811
  145    HB3  ALA  18           HB3      ALA  18  -7.424  -0.510  -7.235
  146    H    GLY  19           HN       GLY  19  -9.315   3.108  -8.804
  147    HA2  GLY  19           HA2      GLY  19  -9.973   4.646  -6.374
  148    HA3  GLY  19           HA1      GLY  19 -10.001   5.295  -8.012
  149    H    GLU  20           HN       GLU  20 -11.311   2.300  -6.704
  150    HA   GLU  20           HA       GLU  20 -13.762   2.676  -8.144
  151    HB2  GLU  20           HB2      GLU  20 -13.016   0.577  -6.104
  152    HB3  GLU  20           HB1      GLU  20 -14.475   0.565  -7.083
  153    HG2  GLU  20           HG2      GLU  20 -11.637   0.271  -8.012
  154    HG3  GLU  20           HG1      GLU  20 -12.911  -0.944  -8.039
  155    H    THR  21           HN       THR  21 -15.809   2.860  -7.282
  156    HA   THR  21           HA       THR  21 -17.352   4.007  -6.152
  157    HB   THR  21           HB       THR  21 -17.568   3.450  -3.714
  158    HG1  THR  21           HG1      THR  21 -15.041   2.708  -3.989
  159   HG21  THR  21          HG21      THR  21 -17.256   1.160  -5.650
  160   HG22  THR  21          HG22      THR  21 -18.700   2.142  -5.407
  161   HG23  THR  21          HG23      THR  21 -18.130   1.076  -4.123
  162    H    ASP  22           HN       ASP  22 -16.191   5.886  -6.795
  163    HA   ASP  22           HA       ASP  22 -15.591   8.057  -6.508
  164    HB2  ASP  22           HB2      ASP  22 -17.262   8.269  -4.751
  165    HB3  ASP  22           HB1      ASP  22 -16.182   7.540  -3.573
  166    H    GLY  23           HN       GLY  23 -13.896   5.590  -4.909
  167    HA2  GLY  23           HA2      GLY  23 -11.581   5.360  -4.751
  168    HA3  GLY  23           HA1      GLY  23 -11.402   7.080  -5.098
  169    H    THR  24           HN       THR  24 -13.800   6.357  -2.892
  170    HA   THR  24           HA       THR  24 -14.209   6.934  -0.811
  171    HB   THR  24           HB       THR  24 -12.611   6.053   0.953
  172    HG1  THR  24           HG1      THR  24 -10.938   6.014  -1.103
  173   HG21  THR  24          HG21      THR  24 -14.459   4.713   0.103
  174   HG22  THR  24          HG22      THR  24 -13.053   3.703   0.437
  175   HG23  THR  24          HG23      THR  24 -13.449   4.144  -1.224
  176    H    ASP  25           HN       ASP  25 -13.047   7.919   1.357
  177    HA   ASP  25           HA       ASP  25 -11.825  10.399   0.475
  178    HB2  ASP  25           HB2      ASP  25 -12.857   9.408   3.151
  179    HB3  ASP  25           HB1      ASP  25 -11.961  10.908   2.978
  180    H    LEU  26           HN       LEU  26 -11.407   7.721   2.670
  181    HA   LEU  26           HA       LEU  26  -9.654   6.581   3.522
  182    HB2  LEU  26           HB2      LEU  26  -9.375   6.371   0.970
  183    HB3  LEU  26           HB1      LEU  26  -8.087   7.543   1.126
  184    HG   LEU  26           HG       LEU  26  -6.896   5.954   2.637
  185   HD11  LEU  26          HD11      LEU  26  -8.830   4.694   3.427
  186   HD12  LEU  26          HD12      LEU  26  -7.638   3.625   2.692
  187   HD13  LEU  26          HD13      LEU  26  -9.095   4.066   1.800
  188   HD21  LEU  26          HD21      LEU  26  -7.624   4.926  -0.104
  189   HD22  LEU  26          HD22      LEU  26  -6.227   4.411   0.844
  190   HD23  LEU  26          HD23      LEU  26  -6.344   6.076   0.275
  191    H    SER  27           HN       SER  27  -9.951   9.473   4.065
  192    HA   SER  27           HA       SER  27  -7.187  10.277   4.570
  193    HB2  SER  27           HB2      SER  27  -9.690  11.953   4.566
  194    HB3  SER  27           HB1      SER  27  -8.035  12.545   4.728
  195    HG   SER  27           HG       SER  27  -8.710  10.977   2.491
  196    H    GLY  28           HN       GLY  28  -6.707   9.363   6.435
  197    HA2  GLY  28           HA2      GLY  28  -7.098  10.430   8.825
  198    HA3  GLY  28           HA1      GLY  28  -8.504   9.370   8.672
  199    H    ASP  29           HN       ASP  29  -7.742   8.017  10.292
  200    HA   ASP  29           HA       ASP  29  -5.321   6.575   9.645
  201    HB2  ASP  29           HB2      ASP  29  -5.538   5.413  11.804
  202    HB3  ASP  29           HB1      ASP  29  -5.664   7.142  12.052
  203    H    PHE  30           HN       PHE  30  -5.646   5.439   7.966
  204    HA   PHE  30           HA       PHE  30  -7.962   3.607   7.866
  205    HB2  PHE  30           HB2      PHE  30  -7.651   3.570   5.445
  206    HB3  PHE  30           HB1      PHE  30  -7.838   5.222   6.012
  207    HD1  PHE  30           HD1      PHE  30  -5.876   6.745   6.032
  208    HD2  PHE  30           HD2      PHE  30  -5.642   2.837   4.374
  209    HE1  PHE  30           HE1      PHE  30  -3.796   7.365   4.879
  210    HE2  PHE  30           HE2      PHE  30  -3.563   3.451   3.216
  211    HZ   PHE  30           HZ       PHE  30  -2.676   5.721   3.400
  212    H    LEU  31           HN       LEU  31  -5.082   3.470   9.009
  213    HA   LEU  31           HA       LEU  31  -3.721   1.544   7.419
  214    HB2  LEU  31           HB2      LEU  31  -3.232   2.351  10.288
  215    HB3  LEU  31           HB1      LEU  31  -2.187   1.303   9.365
  216    HG   LEU  31           HG       LEU  31  -1.134   3.380   9.407
  217   HD11  LEU  31          HD11      LEU  31  -1.006   2.377   7.254
  218   HD12  LEU  31          HD12      LEU  31  -1.062   4.134   7.095
  219   HD13  LEU  31          HD13      LEU  31  -2.498   3.169   6.749
  220   HD21  LEU  31          HD21      LEU  31  -2.181   5.511   8.765
  221   HD22  LEU  31          HD22      LEU  31  -2.974   4.767  10.159
  222   HD23  LEU  31          HD23      LEU  31  -3.725   4.677   8.568
  223    H    ASP  32           HN       ASP  32  -6.003   1.362   9.976
  224    HA   ASP  32           HA       ASP  32  -5.582  -1.526  10.312
  225    HB2  ASP  32           HB2      ASP  32  -7.439   0.339  11.804
  226    HB3  ASP  32           HB1      ASP  32  -7.193  -1.367  12.163
  227    H    LEU  33           HN       LEU  33  -7.248   0.421   8.313
  228    HA   LEU  33           HA       LEU  33  -9.758  -0.986   8.318
  229    HB2  LEU  33           HB2      LEU  33  -9.668   1.420   7.867
  230    HB3  LEU  33           HB1      LEU  33  -8.607   1.140   6.504
  231    HG   LEU  33           HG       LEU  33 -10.411   0.040   5.303
  232   HD11  LEU  33          HD11      LEU  33 -11.638  -0.895   7.204
  233   HD12  LEU  33          HD12      LEU  33 -12.706   0.076   6.192
  234   HD13  LEU  33          HD13      LEU  33 -12.104   0.727   7.714
  235   HD21  LEU  33          HD21      LEU  33 -11.172   2.729   6.430
  236   HD22  LEU  33          HD22      LEU  33 -11.816   2.016   4.949
  237   HD23  LEU  33          HD23      LEU  33 -10.108   2.436   5.052
  238    H    ARG  34           HN       ARG  34  -9.727  -2.929   7.587
  239    HA   ARG  34           HA       ARG  34  -7.707  -4.109   6.032
  240    HB2  ARG  34           HB2      ARG  34 -10.531  -5.057   6.485
  241    HB3  ARG  34           HB1      ARG  34  -9.212  -6.028   5.851
  242    HG2  ARG  34           HG2      ARG  34  -8.029  -5.846   7.947
  243    HG3  ARG  34           HG1      ARG  34  -9.282  -4.774   8.583
  244    HD2  ARG  34           HD2      ARG  34  -9.600  -7.039   9.392
  245    HD3  ARG  34           HD1      ARG  34 -10.927  -6.561   8.340
  246    HE   ARG  34           HE       ARG  34  -8.694  -8.084   7.237
  247   HH11  ARG  34          HH11      ARG  34 -12.164  -7.854   7.960
  248   HH12  ARG  34          HH12      ARG  34 -12.564  -9.336   7.239
  249   HH21  ARG  34          HH21      ARG  34  -9.250 -10.182   6.301
  250   HH22  ARG  34          HH22      ARG  34 -10.853 -10.736   6.375
  251    H    PHE  35           HN       PHE  35  -7.567  -4.639   3.972
  252    HA   PHE  35           HA       PHE  35  -8.798  -2.960   2.084
  253    HB2  PHE  35           HB2      PHE  35  -7.154  -5.452   1.724
  254    HB3  PHE  35           HB1      PHE  35  -7.675  -4.411   0.399
  255    HD1  PHE  35           HD2      PHE  35  -7.179  -1.806   0.933
  256    HD2  PHE  35           HD1      PHE  35  -5.004  -5.139   2.431
  257    HE1  PHE  35           HE2      PHE  35  -5.204  -0.377   1.246
  258    HE2  PHE  35           HE1      PHE  35  -3.035  -3.715   2.747
  259    HZ   PHE  35           HZ       PHE  35  -3.129  -1.333   2.147
  260    H    GLU  36           HN       GLU  36  -9.477  -6.185   3.158
  261    HA   GLU  36           HA       GLU  36 -11.311  -7.068   1.298
  262    HB2  GLU  36           HB2      GLU  36 -10.490  -8.429   3.160
  263    HB3  GLU  36           HB1      GLU  36 -11.335  -7.408   4.307
  264    HG2  GLU  36           HG2      GLU  36 -12.492  -9.515   3.967
  265    HG3  GLU  36           HG1      GLU  36 -13.472  -8.162   3.412
  266    H    ASP  37           HN       ASP  37 -11.819  -4.881   4.058
  267    HA   ASP  37           HA       ASP  37 -14.644  -4.752   3.789
  268    HB2  ASP  37           HB2      ASP  37 -12.744  -2.901   5.246
  269    HB3  ASP  37           HB1      ASP  37 -14.496  -2.791   5.326
  270    H    ILE  38           HN       ILE  38 -12.046  -3.062   2.294
  271    HA   ILE  38           HA       ILE  38 -13.972  -1.119   1.270
  272    HB   ILE  38           HB       ILE  38 -12.008   0.306   0.617
  273   HG12  ILE  38          HG12      ILE  38 -10.504  -1.642   2.397
  274   HG13  ILE  38          HG11      ILE  38 -10.274  -1.451   0.665
  275   HG21  ILE  38          HG21      ILE  38 -11.687   1.156   2.900
  276   HG22  ILE  38          HG22      ILE  38 -12.418  -0.326   3.526
  277   HG23  ILE  38          HG23      ILE  38 -13.377   0.784   2.546
  278   HD11  ILE  38          HD11      ILE  38  -9.706   0.632   2.765
  279   HD12  ILE  38          HD12      ILE  38  -9.469   0.829   1.028
  280   HD13  ILE  38          HD13      ILE  38  -8.509  -0.352   1.920
  281    H    GLY  39           HN       GLY  39 -13.323  -3.839   0.274
  282    HA2  GLY  39           HA2      GLY  39 -13.478  -4.870  -1.772
  283    HA3  GLY  39           HA1      GLY  39 -13.907  -3.300  -2.428
  284    H    TYR  40           HN       TYR  40 -10.827  -4.307  -0.920
  285    HA   TYR  40           HA       TYR  40  -9.540  -3.684  -3.437
  286    HB2  TYR  40           HB2      TYR  40  -8.850  -3.365  -0.610
  287    HB3  TYR  40           HB1      TYR  40  -7.549  -3.878  -1.664
  288    HD1  TYR  40           HD1      TYR  40 -10.160  -1.303  -1.215
  289    HD2  TYR  40           HD2      TYR  40  -6.405  -2.243  -2.945
  290    HE1  TYR  40           HE1      TYR  40  -9.930   1.006  -1.850
  291    HE2  TYR  40           HE2      TYR  40  -6.114   0.102  -3.610
  292    HH   TYR  40           HH       TYR  40  -7.995   2.643  -2.452
  293    H    ASP  41           HN       ASP  41  -9.305  -5.432  -4.567
  294    HA   ASP  41           HA       ASP  41  -8.858  -8.059  -3.475
  295    HB2  ASP  41           HB2      ASP  41  -8.355  -7.124  -6.315
  296    HB3  ASP  41           HB1      ASP  41  -8.655  -8.764  -5.766
  297    H    SER  42           HN       SER  42  -6.858  -9.269  -3.973
  298    HA   SER  42           HA       SER  42  -4.466  -8.091  -3.337
  299    HB2  SER  42           HB2      SER  42  -4.753 -10.488  -5.199
  300    HB3  SER  42           HB1      SER  42  -3.340 -10.004  -4.319
  301    H    LEU  43           HN       LEU  43  -5.944  -8.318  -6.495
  302    HA   LEU  43           HA       LEU  43  -3.890  -7.553  -8.207
  303    HB2  LEU  43           HB2      LEU  43  -6.827  -6.877  -8.348
  304    HB3  LEU  43           HB1      LEU  43  -5.698  -6.609  -9.654
  305    HG   LEU  43           HG       LEU  43  -6.339  -9.336  -8.511
  306   HD11  LEU  43          HD11      LEU  43  -7.667  -9.652 -10.542
  307   HD12  LEU  43          HD12      LEU  43  -7.357  -7.980 -11.007
  308   HD13  LEU  43          HD13      LEU  43  -8.305  -8.331  -9.563
  309   HD21  LEU  43          HD21      LEU  43  -4.897  -8.478 -11.022
  310   HD22  LEU  43          HD22      LEU  43  -5.257 -10.140 -10.556
  311   HD23  LEU  43          HD23      LEU  43  -4.143  -9.173  -9.586
  312    H    ALA  44           HN       ALA  44  -6.017  -5.555  -6.247
  313    HA   ALA  44           HA       ALA  44  -5.074  -3.083  -7.348
  314    HB1  ALA  44           HB1      ALA  44  -6.728  -3.611  -4.884
  315    HB2  ALA  44           HB2      ALA  44  -7.357  -3.320  -6.508
  316    HB3  ALA  44           HB3      ALA  44  -6.486  -2.045  -5.657
  317    H    LEU  45           HN       LEU  45  -4.357  -5.078  -4.609
  318    HA   LEU  45           HA       LEU  45  -2.877  -3.100  -3.233
  319    HB2  LEU  45           HB2      LEU  45  -2.693  -6.079  -2.936
  320    HB3  LEU  45           HB1      LEU  45  -2.131  -4.890  -1.788
  321    HG   LEU  45           HG       LEU  45  -4.994  -5.412  -2.530
  322   HD11  LEU  45          HD11      LEU  45  -5.176  -6.133  -0.201
  323   HD12  LEU  45          HD12      LEU  45  -3.439  -5.856   0.002
  324   HD13  LEU  45          HD13      LEU  45  -4.009  -7.113  -1.096
  325   HD21  LEU  45          HD21      LEU  45  -4.598  -3.055  -2.151
  326   HD22  LEU  45          HD22      LEU  45  -3.767  -3.431  -0.642
  327   HD23  LEU  45          HD23      LEU  45  -5.495  -3.752  -0.798
  328    H    MET  46           HN       MET  46  -2.097  -5.859  -5.283
  329    HA   MET  46           HA       MET  46   0.714  -5.663  -5.167
  330    HB2  MET  46           HB2      MET  46  -1.062  -6.809  -7.326
  331    HB3  MET  46           HB1      MET  46   0.684  -7.006  -7.273
  332    HG2  MET  46           HG2      MET  46   0.524  -8.263  -5.217
  333    HG3  MET  46           HG1      MET  46  -1.208  -7.917  -5.138
  334    HE1  MET  46           HE1      MET  46   0.032 -10.818  -4.857
  335    HE2  MET  46           HE2      MET  46  -1.090 -11.751  -5.846
  336    HE3  MET  46           HE3      MET  46  -1.698 -10.482  -4.783
  337    H    GLU  47           HN       GLU  47  -1.710  -4.218  -7.237
  338    HA   GLU  47           HA       GLU  47  -0.105  -2.930  -9.115
  339    HB2  GLU  47           HB2      GLU  47  -2.610  -3.073  -9.036
  340    HB3  GLU  47           HB1      GLU  47  -2.579  -1.831  -7.795
  341    HG2  GLU  47           HG2      GLU  47  -3.055  -0.758  -9.847
  342    HG3  GLU  47           HG1      GLU  47  -1.399  -0.343  -9.403
  343    H    THR  48           HN       THR  48  -1.372  -1.821  -6.036
  344    HA   THR  48           HA       THR  48  -0.174   0.650  -5.797
  345    HB   THR  48           HB       THR  48  -0.878  -1.366  -3.661
  346    HG1  THR  48           HG1      THR  48  -2.730  -0.911  -4.701
  347   HG21  THR  48          HG21      THR  48   0.563   0.430  -2.794
  348   HG22  THR  48          HG22      THR  48  -1.084   0.541  -2.176
  349   HG23  THR  48          HG23      THR  48  -0.550   1.640  -3.457
  350    H    ALA  49           HN       ALA  49   0.997  -2.490  -4.568
  351    HA   ALA  49           HA       ALA  49   3.411  -1.515  -3.561
  352    HB1  ALA  49           HB1      ALA  49   2.531  -3.712  -2.971
  353    HB2  ALA  49           HB2      ALA  49   4.179  -3.836  -3.583
  354    HB3  ALA  49           HB3      ALA  49   2.816  -4.283  -4.616
  355    H    ALA  50           HN       ALA  50   2.653  -2.855  -6.775
  356    HA   ALA  50           HA       ALA  50   5.200  -2.844  -7.870
  357    HB1  ALA  50           HB1      ALA  50   2.605  -2.380  -9.329
  358    HB2  ALA  50           HB2      ALA  50   3.261  -3.953  -8.886
  359    HB3  ALA  50           HB3      ALA  50   4.123  -2.933 -10.037
  360    H    ARG  51           HN       ARG  51   2.756  -0.276  -8.063
  361    HA   ARG  51           HA       ARG  51   4.385   1.505  -9.529
  362    HB2  ARG  51           HB2      ARG  51   2.784   3.295  -8.740
  363    HB3  ARG  51           HB1      ARG  51   2.032   1.924  -9.540
  364    HG2  ARG  51           HG2      ARG  51   1.490   0.986  -7.319
  365    HG3  ARG  51           HG1      ARG  51   2.157   2.439  -6.585
  366    HD2  ARG  51           HD2      ARG  51  -0.063   2.504  -8.597
  367    HD3  ARG  51           HD1      ARG  51  -0.354   2.330  -6.866
  368    HE   ARG  51           HE       ARG  51   0.806   4.447  -6.598
  369   HH11  ARG  51          HH11      ARG  51  -0.740   3.646  -9.697
  370   HH12  ARG  51          HH12      ARG  51  -0.982   5.246 -10.183
  371   HH21  ARG  51          HH21      ARG  51   0.618   6.662  -7.322
  372   HH22  ARG  51          HH22      ARG  51  -0.137   7.045  -8.811
  373    H    LEU  52           HN       LEU  52   4.173   0.855  -6.132
  374    HA   LEU  52           HA       LEU  52   5.708   3.139  -5.370
  375    HB2  LEU  52           HB2      LEU  52   5.049   0.625  -3.844
  376    HB3  LEU  52           HB1      LEU  52   5.822   2.042  -3.153
  377    HG   LEU  52           HG       LEU  52   3.043   1.937  -4.314
  378   HD11  LEU  52          HD11      LEU  52   2.286   2.238  -2.015
  379   HD12  LEU  52          HD12      LEU  52   3.956   2.123  -1.457
  380   HD13  LEU  52          HD13      LEU  52   3.185   0.735  -2.227
  381   HD21  LEU  52          HD21      LEU  52   4.491   4.184  -2.915
  382   HD22  LEU  52          HD22      LEU  52   2.799   4.202  -3.412
  383   HD23  LEU  52          HD23      LEU  52   4.076   4.122  -4.628
  384    H    GLU  53           HN       GLU  53   6.369  -0.233  -6.082
  385    HA   GLU  53           HA       GLU  53   9.042  -0.431  -5.355
  386    HB2  GLU  53           HB2      GLU  53   7.703  -1.616  -7.801
  387    HB3  GLU  53           HB1      GLU  53   9.280  -2.085  -7.207
  388    HG2  GLU  53           HG2      GLU  53   8.215  -2.915  -5.138
  389    HG3  GLU  53           HG1      GLU  53   6.640  -2.477  -5.800
  390    H    SER  54           HN       SER  54   7.628   0.691  -8.382
  391    HA   SER  54           HA       SER  54   9.943   1.251  -9.790
  392    HB2  SER  54           HB2      SER  54   7.243   2.571 -10.019
  393    HB3  SER  54           HB1      SER  54   8.488   2.493 -11.265
  394    HG   SER  54           HG       SER  54   6.621   0.896 -11.146
  395    H    ARG  55           HN       ARG  55   8.191   3.283  -7.464
  396    HA   ARG  55           HA       ARG  55   9.749   5.631  -8.208
  397    HB2  ARG  55           HB2      ARG  55   7.401   5.992  -7.571
  398    HB3  ARG  55           HB1      ARG  55   7.715   5.312  -5.978
  399    HG2  ARG  55           HG2      ARG  55   9.415   7.169  -5.653
  400    HG3  ARG  55           HG1      ARG  55   8.772   7.898  -7.117
  401    HD2  ARG  55           HD2      ARG  55   7.141   7.265  -4.653
  402    HD3  ARG  55           HD1      ARG  55   7.861   8.827  -4.978
  403    HE   ARG  55           HE       ARG  55   6.399   8.455  -7.157
  404   HH11  ARG  55          HH11      ARG  55   5.466   8.005  -3.692
  405   HH12  ARG  55          HH12      ARG  55   3.861   8.500  -3.974
  406   HH21  ARG  55          HH21      ARG  55   4.209   9.190  -7.414
  407   HH22  ARG  55          HH22      ARG  55   3.122   9.193  -6.100
  408    H    TYR  56           HN       TYR  56   9.571   3.381  -5.497
  409    HA   TYR  56           HA       TYR  56  11.496   5.040  -4.093
  410    HB2  TYR  56           HB2      TYR  56   9.747   2.803  -3.101
  411    HB3  TYR  56           HB1      TYR  56  10.904   3.679  -2.101
  412    HD1  TYR  56           HD1      TYR  56  10.533   6.109  -1.633
  413    HD2  TYR  56           HD2      TYR  56   7.646   3.763  -3.683
  414    HE1  TYR  56           HE1      TYR  56   8.816   7.803  -1.150
  415    HE2  TYR  56           HE2      TYR  56   5.922   5.447  -3.210
  416    HH   TYR  56           HH       TYR  56   5.435   7.239  -1.769
  417    H    GLY  57           HN       GLY  57  11.523   2.103  -5.854
  418    HA2  GLY  57           HA2      GLY  57  13.362   0.797  -6.326
  419    HA3  GLY  57           HA1      GLY  57  14.305   1.758  -5.189
  420    H    VAL  58           HN       VAL  58  11.574  -0.446  -5.158
  421    HA   VAL  58           HA       VAL  58  12.809  -1.929  -2.991
  422    HB   VAL  58           HB       VAL  58  11.248  -0.345  -1.905
  423   HG11  VAL  58          HG11      VAL  58   8.837  -0.428  -2.279
  424   HG12  VAL  58          HG12      VAL  58   9.097  -1.535  -3.625
  425   HG13  VAL  58          HG13      VAL  58   9.732   0.109  -3.702
  426   HG21  VAL  58          HG21      VAL  58   9.814  -1.918  -0.670
  427   HG22  VAL  58          HG22      VAL  58  11.463  -2.521  -0.861
  428   HG23  VAL  58          HG23      VAL  58  10.165  -3.159  -1.875
  429    H    SER  59           HN       SER  59  12.087  -4.146  -2.951
  430    HA   SER  59           HA       SER  59  10.702  -4.944  -5.413
  431    HB2  SER  59           HB2      SER  59  12.749  -6.480  -3.797
  432    HB3  SER  59           HB1      SER  59  12.002  -7.005  -5.305
  433    HG   SER  59           HG       SER  59  12.913  -5.006  -6.214
  434    H    ILE  60           HN       ILE  60   8.708  -5.666  -5.004
  435    HA   ILE  60           HA       ILE  60   8.273  -7.079  -2.474
  436    HB   ILE  60           HB       ILE  60   6.304  -5.235  -3.865
  437   HG12  ILE  60          HG12      ILE  60   7.715  -4.997  -1.195
  438   HG13  ILE  60          HG11      ILE  60   8.067  -4.045  -2.632
  439   HG21  ILE  60          HG21      ILE  60   5.984  -6.873  -1.335
  440   HG22  ILE  60          HG22      ILE  60   5.167  -7.164  -2.871
  441   HG23  ILE  60          HG23      ILE  60   4.818  -5.702  -1.954
  442   HD11  ILE  60          HD11      ILE  60   5.847  -3.055  -2.511
  443   HD12  ILE  60          HD12      ILE  60   6.762  -2.798  -1.022
  444   HD13  ILE  60          HD13      ILE  60   5.494  -4.023  -1.081
  445    HA   PRO  61           HA       PRO  61   7.337 -10.314  -5.420
  446    HB2  PRO  61           HB2      PRO  61   6.940 -11.805  -2.892
  447    HB3  PRO  61           HB1      PRO  61   7.982 -12.184  -4.268
  448    HG2  PRO  61           HG2      PRO  61   9.031 -11.307  -1.987
  449    HG3  PRO  61           HG1      PRO  61   9.673 -10.766  -3.550
  450    HD2  PRO  61           HD2      PRO  61   7.819  -9.347  -1.670
  451    HD3  PRO  61           HD1      PRO  61   9.227  -8.714  -2.552
  452    H    ASP  62           HN       ASP  62   5.618 -11.602  -5.901
  453    HA   ASP  62           HA       ASP  62   3.086 -10.542  -5.942
  454    HB2  ASP  62           HB2      ASP  62   3.880 -12.210  -7.509
  455    HB3  ASP  62           HB1      ASP  62   3.939 -13.420  -6.236
  456    H    ASP  63           HN       ASP  63   4.039 -13.382  -4.003
  457    HA   ASP  63           HA       ASP  63   1.604 -13.853  -2.708
  458    HB2  ASP  63           HB2      ASP  63   3.433 -15.467  -2.593
  459    HB3  ASP  63           HB1      ASP  63   4.392 -14.347  -1.632
  460    H    VAL  64           HN       VAL  64   4.221 -11.811  -1.810
  461    HA   VAL  64           HA       VAL  64   3.523 -11.074   0.811
  462    HB   VAL  64           HB       VAL  64   4.997  -9.506  -1.279
  463   HG11  VAL  64          HG11      VAL  64   4.433  -8.147   0.682
  464   HG12  VAL  64          HG12      VAL  64   6.168  -8.463   0.658
  465   HG13  VAL  64          HG13      VAL  64   5.123  -9.368   1.750
  466   HG21  VAL  64          HG21      VAL  64   6.041 -11.534   0.700
  467   HG22  VAL  64          HG22      VAL  64   7.045 -10.529  -0.343
  468   HG23  VAL  64          HG23      VAL  64   5.952 -11.720  -1.051
  469    H    ALA  65           HN       ALA  65   3.186  -9.234  -2.210
  470    HA   ALA  65           HA       ALA  65   1.761  -7.073  -1.072
  471    HB1  ALA  65           HB1      ALA  65   2.019  -7.969  -3.912
  472    HB2  ALA  65           HB2      ALA  65   3.059  -6.815  -3.065
  473    HB3  ALA  65           HB3      ALA  65   1.368  -6.411  -3.395
  474    H    GLY  66           HN       GLY  66   0.660 -10.160  -2.049
  475    HA2  GLY  66           HA2      GLY  66  -2.111  -9.167  -2.075
  476    HA3  GLY  66           HA1      GLY  66  -1.592 -10.747  -2.648
  477    H    ARG  67           HN       ARG  67   0.005 -10.060   0.171
  478    HA   ARG  67           HA       ARG  67  -1.849 -11.813   1.667
  479    HB2  ARG  67           HB2      ARG  67   0.543 -12.516   1.257
  480    HB3  ARG  67           HB1      ARG  67   1.045 -11.183   2.275
  481    HG2  ARG  67           HG2      ARG  67  -0.139 -12.195   4.162
  482    HG3  ARG  67           HG1      ARG  67  -0.620 -13.543   3.127
  483    HD2  ARG  67           HD2      ARG  67   1.304 -14.229   4.368
  484    HD3  ARG  67           HD1      ARG  67   1.798 -13.981   2.694
  485    HE   ARG  67           HE       ARG  67   2.232 -11.990   4.814
  486   HH11  ARG  67          HH11      ARG  67   3.500 -13.754   1.915
  487   HH12  ARG  67          HH12      ARG  67   5.042 -13.071   2.096
  488   HH21  ARG  67          HH21      ARG  67   4.433 -11.120   4.950
  489   HH22  ARG  67          HH22      ARG  67   5.561 -11.559   3.768
  490    H    VAL  68           HN       VAL  68  -0.784  -8.661   1.425
  491    HA   VAL  68           HA       VAL  68  -0.815  -7.958   4.180
  492    HB   VAL  68           HB       VAL  68  -0.648  -5.589   3.356
  493   HG11  VAL  68          HG11      VAL  68   1.327  -6.933   3.771
  494   HG12  VAL  68          HG12      VAL  68   1.581  -5.852   2.400
  495   HG13  VAL  68          HG13      VAL  68   1.261  -7.564   2.122
  496   HG21  VAL  68          HG21      VAL  68  -0.234  -5.197   0.968
  497   HG22  VAL  68          HG22      VAL  68  -1.877  -5.791   1.233
  498   HG23  VAL  68          HG23      VAL  68  -0.630  -6.878   0.615
  499    H    ASP  69           HN       ASP  69  -2.582  -8.112   5.308
  500    HA   ASP  69           HA       ASP  69  -5.201  -7.849   4.216
  501    HB2  ASP  69           HB2      ASP  69  -4.825  -9.369   6.054
  502    HB3  ASP  69           HB1      ASP  69  -4.268  -8.055   7.079
  503    H    THR  70           HN       THR  70  -3.186  -5.721   6.173
  504    HA   THR  70           HA       THR  70  -5.224  -3.641   5.850
  505    HB   THR  70           HB       THR  70  -4.238  -2.715   7.983
  506    HG1  THR  70           HG1      THR  70  -3.359  -4.888   9.108
  507   HG21  THR  70          HG21      THR  70  -5.502  -4.245   9.441
  508   HG22  THR  70          HG22      THR  70  -5.562  -5.434   8.139
  509   HG23  THR  70          HG23      THR  70  -6.397  -3.889   7.965
  510    HA   PRO  71           HA       PRO  71  -2.107  -0.980   4.024
  511    HB2  PRO  71           HB2      PRO  71  -3.098   1.061   5.974
  512    HB3  PRO  71           HB1      PRO  71  -2.877   1.194   4.222
  513    HG2  PRO  71           HG2      PRO  71  -5.300   0.901   5.195
  514    HG3  PRO  71           HG1      PRO  71  -4.811  -0.025   3.761
  515    HD2  PRO  71           HD2      PRO  71  -5.028  -0.925   6.611
  516    HD3  PRO  71           HD1      PRO  71  -5.535  -1.757   5.123
  517    H    ARG  72           HN       ARG  72  -2.336  -1.475   7.471
  518    HA   ARG  72           HA       ARG  72  -0.004  -0.410   8.547
  519    HB2  ARG  72           HB2      ARG  72  -1.178  -3.177   8.958
  520    HB3  ARG  72           HB1      ARG  72   0.123  -2.527   9.923
  521    HG2  ARG  72           HG2      ARG  72  -2.613  -1.302   9.745
  522    HG3  ARG  72           HG1      ARG  72  -2.127  -2.478  10.970
  523    HD2  ARG  72           HD2      ARG  72  -0.321  -0.950  11.655
  524    HD3  ARG  72           HD1      ARG  72  -0.914   0.232  10.487
  525    HE   ARG  72           HE       ARG  72  -3.073  -0.416  12.063
  526   HH11  ARG  72          HH11      ARG  72   0.171   0.770  12.807
  527   HH12  ARG  72          HH12      ARG  72  -0.369   1.873  13.993
  528   HH21  ARG  72          HH21      ARG  72  -3.798   1.000  13.689
  529   HH22  ARG  72          HH22      ARG  72  -2.712   1.967  14.583
  530    H    GLU  73           HN       GLU  73  -0.505  -3.465   6.953
  531    HA   GLU  73           HA       GLU  73   2.114  -4.468   7.011
  532    HB2  GLU  73           HB2      GLU  73  -0.101  -5.143   5.101
  533    HB3  GLU  73           HB1      GLU  73   1.222  -6.174   5.617
  534    HG2  GLU  73           HG2      GLU  73  -0.912  -5.137   7.458
  535    HG3  GLU  73           HG1      GLU  73  -0.989  -6.689   6.633
  536    H    LEU  74           HN       LEU  74   0.155  -2.999   4.453
  537    HA   LEU  74           HA       LEU  74   1.998  -3.214   2.314
  538    HB2  LEU  74           HB2      LEU  74  -0.586  -2.497   2.514
  539    HB3  LEU  74           HB1      LEU  74   0.112  -0.902   2.417
  540    HG   LEU  74           HG       LEU  74   0.309  -3.079   0.323
  541   HD11  LEU  74          HD11      LEU  74  -1.034  -1.583  -1.036
  542   HD12  LEU  74          HD12      LEU  74  -1.171  -0.477   0.331
  543   HD13  LEU  74          HD13      LEU  74  -1.865  -2.096   0.432
  544   HD21  LEU  74          HD21      LEU  74   1.388  -0.253   0.228
  545   HD22  LEU  74          HD22      LEU  74   1.391  -1.401  -1.112
  546   HD23  LEU  74          HD23      LEU  74   2.361  -1.720   0.328
  547    H    LEU  75           HN       LEU  75   1.422  -0.577   4.646
  548    HA   LEU  75           HA       LEU  75   3.291   1.279   3.605
  549    HB2  LEU  75           HB2      LEU  75   1.436   1.737   5.244
  550    HB3  LEU  75           HB1      LEU  75   2.370   0.905   6.462
  551    HG   LEU  75           HG       LEU  75   4.172   2.651   6.096
  552   HD11  LEU  75          HD11      LEU  75   1.926   4.034   4.660
  553   HD12  LEU  75          HD12      LEU  75   3.437   3.471   3.947
  554   HD13  LEU  75          HD13      LEU  75   3.456   4.769   5.141
  555   HD21  LEU  75          HD21      LEU  75   3.040   4.291   7.499
  556   HD22  LEU  75          HD22      LEU  75   2.705   2.645   8.035
  557   HD23  LEU  75          HD23      LEU  75   1.490   3.540   7.124
  558    H    ASP  76           HN       ASP  76   3.395  -1.199   6.092
  559    HA   ASP  76           HA       ASP  76   5.946  -0.828   7.129
  560    HB2  ASP  76           HB2      ASP  76   4.178  -2.189   8.167
  561    HB3  ASP  76           HB1      ASP  76   4.342  -3.379   6.888
  562    H    LEU  77           HN       LEU  77   4.837  -2.826   4.448
  563    HA   LEU  77           HA       LEU  77   7.111  -4.257   3.757
  564    HB2  LEU  77           HB2      LEU  77   5.186  -2.942   1.837
  565    HB3  LEU  77           HB1      LEU  77   6.297  -4.218   1.419
  566    HG   LEU  77           HG       LEU  77   3.888  -4.414   3.198
  567   HD11  LEU  77          HD11      LEU  77   3.098  -5.932   1.440
  568   HD12  LEU  77          HD12      LEU  77   4.553  -5.587   0.507
  569   HD13  LEU  77          HD13      LEU  77   3.391  -4.301   0.834
  570   HD21  LEU  77          HD21      LEU  77   5.682  -5.821   4.066
  571   HD22  LEU  77          HD22      LEU  77   5.912  -6.525   2.465
  572   HD23  LEU  77          HD23      LEU  77   4.408  -6.800   3.341
  573    H    ILE  78           HN       ILE  78   6.114  -1.127   2.547
  574    HA   ILE  78           HA       ILE  78   8.379  -0.624   0.945
  575    HB   ILE  78           HB       ILE  78   6.503   1.408   2.183
  576   HG12  ILE  78          HG12      ILE  78   5.274  -0.344   0.913
  577   HG13  ILE  78          HG11      ILE  78   5.158   1.241   0.166
  578   HG21  ILE  78          HG21      ILE  78   7.131   2.770   0.223
  579   HG22  ILE  78          HG22      ILE  78   8.284   1.522  -0.249
  580   HG23  ILE  78          HG23      ILE  78   8.508   2.404   1.264
  581   HD11  ILE  78          HD11      ILE  78   6.961  -1.007  -0.704
  582   HD12  ILE  78          HD12      ILE  78   6.862   0.580  -1.465
  583   HD13  ILE  78          HD13      ILE  78   5.468  -0.500  -1.493
  584    H    ASN  79           HN       ASN  79   7.385   0.834   4.047
  585    HA   ASN  79           HA       ASN  79   9.580   2.453   4.505
  586    HB2  ASN  79           HB2      ASN  79   7.824   1.054   6.524
  587    HB3  ASN  79           HB1      ASN  79   9.021   2.258   6.957
  588   HD21  ASN  79          HD21      ASN  79   8.475   3.989   4.645
  589   HD22  ASN  79          HD22      ASN  79   6.924   4.686   4.950
  590    H    GLY  80           HN       GLY  80   9.129  -0.865   5.726
  591    HA2  GLY  80           HA2      GLY  80  11.551  -1.003   7.131
  592    HA3  GLY  80           HA1      GLY  80  10.601  -2.371   6.589
  593    H    ALA  81           HN       ALA  81  10.773  -1.978   3.824
  594    HA   ALA  81           HA       ALA  81  13.342  -3.153   3.385
  595    HB1  ALA  81           HB1      ALA  81  12.645  -3.371   1.069
  596    HB2  ALA  81           HB2      ALA  81  11.272  -2.304   1.360
  597    HB3  ALA  81           HB3      ALA  81  11.348  -3.878   2.149
  598    H    LEU  82           HN       LEU  82  11.962   0.010   2.794
  599    HA   LEU  82           HA       LEU  82  14.187   0.908   1.245
  600    HB2  LEU  82           HB2      LEU  82  12.097   2.482   2.712
  601    HB3  LEU  82           HB1      LEU  82  13.305   3.182   1.664
  602    HG   LEU  82           HG       LEU  82  11.086   1.321   0.854
  603   HD11  LEU  82          HD11      LEU  82  11.616   4.228   0.306
  604   HD12  LEU  82          HD12      LEU  82  10.375   3.576   1.376
  605   HD13  LEU  82          HD13      LEU  82  10.289   3.281  -0.362
  606   HD21  LEU  82          HD21      LEU  82  13.231   2.628  -0.824
  607   HD22  LEU  82          HD22      LEU  82  11.859   1.697  -1.437
  608   HD23  LEU  82          HD23      LEU  82  13.099   0.903  -0.475
  609    H    ALA  83           HN       ALA  83  13.588   0.607   4.607
  610    HA   ALA  83           HA       ALA  83  15.685   2.448   5.319
  611    HB1  ALA  83           HB1      ALA  83  15.225   1.753   7.610
  612    HB2  ALA  83           HB2      ALA  83  14.161   0.478   7.016
  613    HB3  ALA  83           HB3      ALA  83  13.731   2.169   6.768
  614    H    GLU  84           HN       GLU  84  15.788  -0.472   3.930
  615    HA   GLU  84           HA       GLU  84  18.300  -1.113   5.300
  616    HB2  GLU  84           HB2      GLU  84  16.563  -2.593   6.132
  617    HB3  GLU  84           HB1      GLU  84  16.226  -3.130   4.491
  618    HG2  GLU  84           HG2      GLU  84  18.439  -4.075   4.320
  619    HG3  GLU  84           HG1      GLU  84  18.825  -3.448   5.922
  620    H    ALA  85           HN       ALA  85  16.403  -1.683   2.321
  621    HA   ALA  85           HA       ALA  85  18.885  -2.474   0.979
  622    HB1  ALA  85           HB1      ALA  85  17.433  -3.428  -0.733
  623    HB2  ALA  85           HB2      ALA  85  16.015  -2.791   0.100
  624    HB3  ALA  85           HB3      ALA  85  17.001  -4.037   0.865
  625    H    ALA  86           HN       ALA  86  17.969   0.350   1.587
  626    HA   ALA  86           HA       ALA  86  18.276   1.347  -1.129
  627    HB1  ALA  86           HB1      ALA  86  16.251   2.420   0.837
  628    HB2  ALA  86           HB2      ALA  86  15.882   1.486  -0.614
  629    HB3  ALA  86           HB3      ALA  86  16.605   3.089  -0.755
  630   H282  PNS  87          H28A      PNS  87  -7.769 -12.114  -5.433
  631   H281  PNS  87          H28B      PNS  87  -6.331 -11.257  -5.882
  632   H303  PNS  87          H30A      PNS  87  -7.202 -13.697  -8.559
  633   H302  PNS  87          H30B      PNS  87  -7.080 -11.980  -8.167
  634   H301  PNS  87          H30C      PNS  87  -8.367 -12.957  -7.460
  635   H313  PNS  87          H31A      PNS  87  -4.805 -13.999  -7.784
  636   H312  PNS  87          H31B      PNS  87  -4.349 -13.420  -6.182
  637   H311  PNS  87          H31C      PNS  87  -4.760 -12.267  -7.452
  638    H32  PNS  87          H32A      PNS  87  -6.011 -15.053  -5.355
  639    H33  PNS  87          H33A      PNS  87  -7.599 -16.020  -7.163
  640    H36  PNS  87          H36A      PNS  87  -7.650 -13.826  -3.967
  641   H372  PNS  87          H37A      PNS  87 -10.498 -14.423  -4.304
  642   H371  PNS  87          H37B      PNS  87  -9.663 -15.346  -3.080
  643   H382  PNS  87          H38A      PNS  87 -10.616 -13.604  -1.929
  644   H381  PNS  87          H38B      PNS  87  -8.890 -13.157  -2.045
  645    H41  PNS  87          H41A      PNS  87 -10.169 -11.199  -1.359
  646   H422  PNS  87          H42A      PNS  87 -10.003  -9.076  -2.993
  647   H421  PNS  87          H42B      PNS  87 -11.608  -9.700  -3.355
  648   H431  PNS  87          H43A      PNS  87 -10.623  -8.818  -0.657
  649   H432  PNS  87          H43B      PNS  87 -12.146  -9.627  -0.964
  650    H44  PNS  87           H1       PNS  87 -12.699  -6.992  -0.521
  Start of MODEL    8
    1    H1   MET   1           HT1      MET   1  20.207  10.477   3.015
    2    H2   MET   1           HT2      MET   1  19.291  10.435   1.595
    3    H3   MET   1           HT3      MET   1  19.987   9.016   2.181
    4    HA   MET   1           HA       MET   1  18.579   9.070   4.096
    5    HB2  MET   1           HB2      MET   1  17.312  11.440   2.677
    6    HB3  MET   1           HB1      MET   1  16.645  10.627   4.081
    7    HG2  MET   1           HG2      MET   1  19.235  12.152   3.975
    8    HG3  MET   1           HG1      MET   1  17.725  12.711   4.689
    9    HE1  MET   1           HE1      MET   1  20.043  12.118   7.798
   10    HE2  MET   1           HE2      MET   1  19.017  13.276   6.957
   11    HE3  MET   1           HE3      MET   1  20.518  12.724   6.211
   12    H    ALA   2           HN       ALA   2  16.511   8.039   3.944
   13    HA   ALA   2           HA       ALA   2  15.968   7.097   1.221
   14    HB1  ALA   2           HB1      ALA   2  15.381   5.791   3.886
   15    HB2  ALA   2           HB2      ALA   2  16.668   5.327   2.770
   16    HB3  ALA   2           HB3      ALA   2  14.981   5.119   2.305
   17    H    THR   3           HN       THR   3  14.156   7.851   0.363
   18    HA   THR   3           HA       THR   3  12.365   9.373   1.956
   19    HB   THR   3           HB       THR   3  12.818  10.118  -0.303
   20    HG1  THR   3           HG1      THR   3  10.657  10.397   0.563
   21   HG21  THR   3          HG21      THR   3  13.314   7.990  -1.405
   22   HG22  THR   3          HG22      THR   3  12.099   8.882  -2.320
   23   HG23  THR   3          HG23      THR   3  11.615   7.524  -1.303
   24    H    LEU   4           HN       LEU   4  11.099   8.411   3.301
   25    HA   LEU   4           HA       LEU   4   9.923   5.824   2.640
   26    HB2  LEU   4           HB2      LEU   4  10.106   7.274   5.280
   27    HB3  LEU   4           HB1      LEU   4   9.409   5.684   5.041
   28    HG   LEU   4           HG       LEU   4  12.314   6.417   4.666
   29   HD11  LEU   4          HD11      LEU   4  10.936   4.788   6.786
   30   HD12  LEU   4          HD12      LEU   4  11.646   6.392   6.995
   31   HD13  LEU   4          HD13      LEU   4  12.677   5.009   6.624
   32   HD21  LEU   4          HD21      LEU   4  11.617   4.656   3.122
   33   HD22  LEU   4          HD22      LEU   4  10.934   3.739   4.466
   34   HD23  LEU   4          HD23      LEU   4  12.673   4.016   4.381
   35    H    LEU   5           HN       LEU   5   7.821   5.659   2.320
   36    HA   LEU   5           HA       LEU   5   6.308   8.053   2.071
   37    HB2  LEU   5           HB2      LEU   5   4.621   6.774   1.039
   38    HB3  LEU   5           HB1      LEU   5   6.113   6.026   0.555
   39    HG   LEU   5           HG       LEU   5   4.209   4.972   2.641
   40   HD11  LEU   5          HD11      LEU   5   3.281   4.845   0.427
   41   HD12  LEU   5          HD12      LEU   5   3.719   3.238   0.998
   42   HD13  LEU   5          HD13      LEU   5   4.749   4.070  -0.171
   43   HD21  LEU   5          HD21      LEU   5   6.482   4.261   3.133
   44   HD22  LEU   5          HD22      LEU   5   6.687   3.712   1.468
   45   HD23  LEU   5          HD23      LEU   5   5.528   2.911   2.529
   46    H    THR   6           HN       THR   6   4.716   8.804   3.290
   47    HA   THR   6           HA       THR   6   4.312   7.542   5.878
   48    HB   THR   6           HB       THR   6   3.377   9.765   6.567
   49    HG1  THR   6           HG1      THR   6   4.138  10.463   3.901
   50   HG21  THR   6          HG21      THR   6   5.736   9.255   6.999
   51   HG22  THR   6          HG22      THR   6   5.526  10.967   6.629
   52   HG23  THR   6          HG23      THR   6   6.167   9.873   5.404
   53    H    THR   7           HN       THR   7   1.828   8.613   6.574
   54    HA   THR   7           HA       THR   7   0.019   6.820   5.527
   55    HB   THR   7           HB       THR   7  -0.592   9.543   6.694
   56    HG1  THR   7           HG1      THR   7  -0.777   7.774   8.579
   57   HG21  THR   7          HG21      THR   7  -2.154   6.948   6.689
   58   HG22  THR   7          HG22      THR   7  -2.539   8.384   5.741
   59   HG23  THR   7          HG23      THR   7  -2.642   8.436   7.501
   60    H    ASP   8           HN       ASP   8   0.288  10.321   4.773
   61    HA   ASP   8           HA       ASP   8  -1.772  10.354   2.862
   62    HB2  ASP   8           HB2      ASP   8  -0.920  12.363   3.978
   63    HB3  ASP   8           HB1      ASP   8   0.579  12.220   3.062
   64    H    ASP   9           HN       ASP   9   1.687   9.853   2.522
   65    HA   ASP   9           HA       ASP   9   1.850   9.949  -0.298
   66    HB2  ASP   9           HB2      ASP   9   3.437   8.251   1.631
   67    HB3  ASP   9           HB1      ASP   9   3.838   8.444  -0.070
   68    H    LEU  10           HN       LEU  10   1.312   7.283   1.957
   69    HA   LEU  10           HA       LEU  10   0.966   5.268   0.038
   70    HB2  LEU  10           HB2      LEU  10   1.400   4.801   2.410
   71    HB3  LEU  10           HB1      LEU  10  -0.164   5.469   2.832
   72    HG   LEU  10           HG       LEU  10  -1.256   3.641   1.560
   73   HD11  LEU  10          HD11      LEU  10   1.541   2.557   1.285
   74   HD12  LEU  10          HD12      LEU  10   0.512   3.146  -0.022
   75   HD13  LEU  10          HD13      LEU  10   0.057   1.697   0.874
   76   HD21  LEU  10          HD21      LEU  10  -0.772   1.869   3.178
   77   HD22  LEU  10          HD22      LEU  10  -0.927   3.440   3.963
   78   HD23  LEU  10          HD23      LEU  10   0.670   2.742   3.695
   79    H    ARG  11           HN       ARG  11  -1.331   7.437   1.643
   80    HA   ARG  11           HA       ARG  11  -3.728   6.444   0.678
   81    HB2  ARG  11           HB2      ARG  11  -3.682   8.282   2.291
   82    HB3  ARG  11           HB1      ARG  11  -2.993   9.355   1.076
   83    HG2  ARG  11           HG2      ARG  11  -5.052   9.089  -0.276
   84    HG3  ARG  11           HG1      ARG  11  -5.736   8.105   1.014
   85    HD2  ARG  11           HD2      ARG  11  -6.564  10.390   1.126
   86    HD3  ARG  11           HD1      ARG  11  -5.587  10.009   2.540
   87    HE   ARG  11           HE       ARG  11  -3.861  11.381   1.696
   88   HH11  ARG  11          HH11      ARG  11  -6.775  11.576  -0.373
   89   HH12  ARG  11          HH12      ARG  11  -6.378  13.128  -0.946
   90   HH21  ARG  11          HH21      ARG  11  -3.387  13.442   0.858
   91   HH22  ARG  11          HH22      ARG  11  -4.448  14.224  -0.264
   92    H    ARG  12           HN       ARG  12  -1.655   8.889  -0.823
   93    HA   ARG  12           HA       ARG  12  -3.233   9.361  -3.087
   94    HB2  ARG  12           HB2      ARG  12  -0.219   9.474  -2.957
   95    HB3  ARG  12           HB1      ARG  12  -1.229  10.265  -4.153
   96    HG2  ARG  12           HG2      ARG  12  -2.206  11.647  -2.337
   97    HG3  ARG  12           HG1      ARG  12  -1.063  10.897  -1.214
   98    HD2  ARG  12           HD2      ARG  12   0.772  11.651  -2.755
   99    HD3  ARG  12           HD1      ARG  12  -0.442  12.583  -3.620
  100    HE   ARG  12           HE       ARG  12  -0.096  13.038  -0.750
  101   HH11  ARG  12          HH11      ARG  12   0.091  14.309  -4.052
  102   HH12  ARG  12          HH12      ARG  12   0.737  15.810  -3.602
  103   HH21  ARG  12          HH21      ARG  12   0.849  15.092  -0.136
  104   HH22  ARG  12          HH22      ARG  12   1.108  16.310  -1.300
  105    H    ALA  13           HN       ALA  13  -0.550   7.108  -2.642
  106    HA   ALA  13           HA       ALA  13  -0.582   6.082  -5.278
  107    HB1  ALA  13           HB1      ALA  13   0.936   4.396  -4.430
  108    HB2  ALA  13           HB2      ALA  13   0.532   4.848  -2.774
  109    HB3  ALA  13           HB3      ALA  13   1.373   5.994  -3.822
  110    H    LEU  14           HN       LEU  14  -2.263   5.162  -2.364
  111    HA   LEU  14           HA       LEU  14  -3.113   2.659  -3.457
  112    HB2  LEU  14           HB2      LEU  14  -2.625   2.819  -1.172
  113    HB3  LEU  14           HB1      LEU  14  -3.800   4.097  -0.900
  114    HG   LEU  14           HG       LEU  14  -5.612   2.448  -1.371
  115   HD11  LEU  14          HD11      LEU  14  -5.084   0.070  -1.425
  116   HD12  LEU  14          HD12      LEU  14  -3.361   0.444  -1.414
  117   HD13  LEU  14          HD13      LEU  14  -4.356   0.912  -2.793
  118   HD21  LEU  14          HD21      LEU  14  -5.421   1.264   0.741
  119   HD22  LEU  14          HD22      LEU  14  -4.867   2.928   0.915
  120   HD23  LEU  14          HD23      LEU  14  -3.695   1.619   0.803
  121    H    VAL  15           HN       VAL  15  -4.537   5.877  -3.060
  122    HA   VAL  15           HA       VAL  15  -7.086   4.972  -4.032
  123    HB   VAL  15           HB       VAL  15  -6.028   7.837  -4.012
  124   HG11  VAL  15          HG11      VAL  15  -8.383   8.506  -4.105
  125   HG12  VAL  15          HG12      VAL  15  -8.859   6.811  -4.213
  126   HG13  VAL  15          HG13      VAL  15  -7.927   7.549  -5.516
  127   HG21  VAL  15          HG21      VAL  15  -7.762   6.446  -1.974
  128   HG22  VAL  15          HG22      VAL  15  -7.296   8.149  -1.955
  129   HG23  VAL  15          HG23      VAL  15  -6.072   6.900  -1.755
  130    H    GLU  16           HN       GLU  16  -4.113   5.922  -5.391
  131    HA   GLU  16           HA       GLU  16  -4.790   6.672  -7.980
  132    HB2  GLU  16           HB2      GLU  16  -2.523   6.742  -6.818
  133    HB3  GLU  16           HB1      GLU  16  -2.373   5.039  -7.203
  134    HG2  GLU  16           HG2      GLU  16  -1.156   6.236  -8.823
  135    HG3  GLU  16           HG1      GLU  16  -2.625   5.660  -9.610
  136    H    SER  17           HN       SER  17  -4.418   3.456  -6.522
  137    HA   SER  17           HA       SER  17  -4.706   2.048  -9.008
  138    HB2  SER  17           HB2      SER  17  -4.966   0.937  -6.203
  139    HB3  SER  17           HB1      SER  17  -4.614   0.051  -7.680
  140    HG   SER  17           HG       SER  17  -2.921   0.788  -6.086
  141    H    ALA  18           HN       ALA  18  -6.895   3.585  -6.961
  142    HA   ALA  18           HA       ALA  18  -9.107   1.792  -7.654
  143    HB1  ALA  18           HB1      ALA  18 -10.411   3.061  -6.007
  144    HB2  ALA  18           HB2      ALA  18  -9.038   4.136  -5.740
  145    HB3  ALA  18           HB3      ALA  18  -8.927   2.434  -5.291
  146    H    GLY  19           HN       GLY  19  -7.823   4.976  -8.122
  147    HA2  GLY  19           HA2      GLY  19  -8.161   6.356  -9.936
  148    HA3  GLY  19           HA1      GLY  19  -9.487   5.320 -10.462
  149    H    GLU  20           HN       GLU  20 -10.646   7.309 -10.806
  150    HA   GLU  20           HA       GLU  20 -11.456   8.633  -8.367
  151    HB2  GLU  20           HB2      GLU  20 -12.115   9.296 -11.243
  152    HB3  GLU  20           HB1      GLU  20 -12.615  10.238  -9.846
  153    HG2  GLU  20           HG2      GLU  20  -9.772   9.740 -10.692
  154    HG3  GLU  20           HG1      GLU  20 -10.691  11.216 -10.986
  155    H    THR  21           HN       THR  21 -12.386   6.673  -7.693
  156    HA   THR  21           HA       THR  21 -15.150   6.353  -8.590
  157    HB   THR  21           HB       THR  21 -14.837   3.948  -7.733
  158    HG1  THR  21           HG1      THR  21 -12.178   3.851  -8.107
  159   HG21  THR  21          HG21      THR  21 -14.813   4.440 -10.140
  160   HG22  THR  21          HG22      THR  21 -13.668   3.156  -9.749
  161   HG23  THR  21          HG23      THR  21 -13.088   4.796 -10.053
  162    H    ASP  22           HN       ASP  22 -15.276   4.530  -6.053
  163    HA   ASP  22           HA       ASP  22 -15.750   6.681  -4.193
  164    HB2  ASP  22           HB2      ASP  22 -15.927   3.664  -3.868
  165    HB3  ASP  22           HB1      ASP  22 -16.287   4.806  -2.586
  166    H    GLY  23           HN       GLY  23 -13.817   3.691  -4.139
  167    HA2  GLY  23           HA2      GLY  23 -11.645   3.361  -3.471
  168    HA3  GLY  23           HA1      GLY  23 -11.499   5.089  -3.148
  169    H    THR  24           HN       THR  24 -14.265   4.038  -1.819
  170    HA   THR  24           HA       THR  24 -15.053   3.884   0.285
  171    HB   THR  24           HB       THR  24 -12.463   2.419   0.931
  172    HG1  THR  24           HG1      THR  24 -13.096   1.129  -0.605
  173   HG21  THR  24          HG21      THR  24 -13.888   1.126   2.453
  174   HG22  THR  24          HG22      THR  24 -15.295   2.087   1.975
  175   HG23  THR  24          HG23      THR  24 -13.953   2.843   2.844
  176    H    ASP  25           HN       ASP  25 -13.803   6.215  -0.437
  177    HA   ASP  25           HA       ASP  25 -13.067   8.205   0.285
  178    HB2  ASP  25           HB2      ASP  25 -13.385   6.956   3.028
  179    HB3  ASP  25           HB1      ASP  25 -12.836   8.608   2.804
  180    H    LEU  26           HN       LEU  26 -11.525   5.984   2.504
  181    HA   LEU  26           HA       LEU  26  -9.407   5.323   2.873
  182    HB2  LEU  26           HB2      LEU  26  -9.773   4.985   0.309
  183    HB3  LEU  26           HB1      LEU  26  -8.661   6.329   0.156
  184    HG   LEU  26           HG       LEU  26  -6.918   5.039   1.284
  185   HD11  LEU  26          HD11      LEU  26  -7.321   2.669   1.816
  186   HD12  LEU  26          HD12      LEU  26  -9.021   2.861   1.375
  187   HD13  LEU  26          HD13      LEU  26  -8.370   3.722   2.764
  188   HD21  LEU  26          HD21      LEU  26  -8.298   3.551  -0.946
  189   HD22  LEU  26          HD22      LEU  26  -6.620   3.341  -0.446
  190   HD23  LEU  26          HD23      LEU  26  -7.143   4.873  -1.136
  191    H    SER  27           HN       SER  27 -10.234   7.941   3.540
  192    HA   SER  27           HA       SER  27  -7.734   9.458   3.359
  193    HB2  SER  27           HB2      SER  27 -10.544  10.488   3.747
  194    HB3  SER  27           HB1      SER  27  -9.088  11.469   3.550
  195    HG   SER  27           HG       SER  27  -9.595   9.562   1.606
  196    H    GLY  28           HN       GLY  28  -7.385  10.858   5.339
  197    HA2  GLY  28           HA2      GLY  28  -7.171  11.051   7.616
  198    HA3  GLY  28           HA1      GLY  28  -8.583  10.006   7.801
  199    H    ASP  29           HN       ASP  29  -7.842   8.488   9.200
  200    HA   ASP  29           HA       ASP  29  -5.387   7.106   8.421
  201    HB2  ASP  29           HB2      ASP  29  -5.695   7.717  10.843
  202    HB3  ASP  29           HB1      ASP  29  -7.072   6.615  10.891
  203    H    PHE  30           HN       PHE  30  -5.544   5.384   7.294
  204    HA   PHE  30           HA       PHE  30  -8.054   3.856   7.314
  205    HB2  PHE  30           HB2      PHE  30  -7.614   3.401   4.889
  206    HB3  PHE  30           HB1      PHE  30  -7.938   5.096   5.238
  207    HD1  PHE  30           HD1      PHE  30  -6.153   6.758   5.077
  208    HD2  PHE  30           HD2      PHE  30  -5.440   2.674   4.124
  209    HE1  PHE  30           HE1      PHE  30  -4.055   7.385   3.969
  210    HE2  PHE  30           HE2      PHE  30  -3.340   3.298   3.017
  211    HZ   PHE  30           HZ       PHE  30  -2.645   5.652   2.937
  212    H    LEU  31           HN       LEU  31  -5.315   3.647   8.669
  213    HA   LEU  31           HA       LEU  31  -4.061   1.464   7.272
  214    HB2  LEU  31           HB2      LEU  31  -3.292   2.823   9.862
  215    HB3  LEU  31           HB1      LEU  31  -2.418   1.481   9.171
  216    HG   LEU  31           HG       LEU  31  -1.214   3.462   8.703
  217   HD11  LEU  31          HD11      LEU  31  -1.167   1.848   6.948
  218   HD12  LEU  31          HD12      LEU  31  -1.104   3.477   6.273
  219   HD13  LEU  31          HD13      LEU  31  -2.607   2.554   6.215
  220   HD21  LEU  31          HD21      LEU  31  -3.702   4.576   7.430
  221   HD22  LEU  31          HD22      LEU  31  -2.113   5.341   7.416
  222   HD23  LEU  31          HD23      LEU  31  -2.975   5.127   8.941
  223    H    ASP  32           HN       ASP  32  -6.290   1.802   9.839
  224    HA   ASP  32           HA       ASP  32  -5.794  -0.927  10.766
  225    HB2  ASP  32           HB2      ASP  32  -7.544   1.260  11.870
  226    HB3  ASP  32           HB1      ASP  32  -7.663  -0.400  12.441
  227    H    LEU  33           HN       LEU  33  -7.387   0.193   8.253
  228    HA   LEU  33           HA       LEU  33  -9.719  -1.534   8.629
  229    HB2  LEU  33           HB2      LEU  33  -9.160   0.583   6.535
  230    HB3  LEU  33           HB1      LEU  33 -10.527  -0.502   6.461
  231    HG   LEU  33           HG       LEU  33 -11.321   1.578   7.234
  232   HD11  LEU  33          HD11      LEU  33 -12.349  -0.274   8.318
  233   HD12  LEU  33          HD12      LEU  33 -12.229   1.082   9.441
  234   HD13  LEU  33          HD13      LEU  33 -11.114  -0.276   9.579
  235   HD21  LEU  33          HD21      LEU  33  -9.189   1.542   9.376
  236   HD22  LEU  33          HD22      LEU  33 -10.473   2.743   9.229
  237   HD23  LEU  33          HD23      LEU  33  -9.241   2.608   7.973
  238    H    ARG  34           HN       ARG  34 -10.212  -3.137   7.064
  239    HA   ARG  34           HA       ARG  34  -7.801  -4.232   5.889
  240    HB2  ARG  34           HB2      ARG  34 -10.484  -5.329   6.529
  241    HB3  ARG  34           HB1      ARG  34  -9.516  -6.119   5.296
  242    HG2  ARG  34           HG2      ARG  34  -7.730  -6.468   6.897
  243    HG3  ARG  34           HG1      ARG  34  -8.670  -5.620   8.134
  244    HD2  ARG  34           HD2      ARG  34 -10.190  -7.294   8.333
  245    HD3  ARG  34           HD1      ARG  34  -9.904  -7.930   6.707
  246    HE   ARG  34           HE       ARG  34  -7.596  -8.227   8.238
  247   HH11  ARG  34          HH11      ARG  34 -10.892  -9.484   8.489
  248   HH12  ARG  34          HH12      ARG  34 -10.410 -11.090   8.805
  249   HH21  ARG  34          HH21      ARG  34  -6.939 -10.439   8.536
  250   HH22  ARG  34          HH22      ARG  34  -8.066 -11.660   8.861
  251    H    PHE  35           HN       PHE  35  -7.525  -4.789   3.819
  252    HA   PHE  35           HA       PHE  35  -8.541  -3.034   1.879
  253    HB2  PHE  35           HB2      PHE  35  -6.973  -5.569   1.618
  254    HB3  PHE  35           HB1      PHE  35  -7.461  -4.610   0.228
  255    HD1  PHE  35           HD2      PHE  35  -6.802  -2.074   0.379
  256    HD2  PHE  35           HD1      PHE  35  -4.939  -5.199   2.559
  257    HE1  PHE  35           HE2      PHE  35  -4.766  -0.716   0.579
  258    HE2  PHE  35           HE1      PHE  35  -2.905  -3.850   2.764
  259    HZ   PHE  35           HZ       PHE  35  -2.815  -1.604   1.769
  260    H    GLU  36           HN       GLU  36  -9.553  -6.225   2.816
  261    HA   GLU  36           HA       GLU  36 -11.054  -6.620   0.473
  262    HB2  GLU  36           HB2      GLU  36 -12.090  -8.574   1.705
  263    HB3  GLU  36           HB1      GLU  36 -10.355  -8.615   1.491
  264    HG2  GLU  36           HG2      GLU  36 -10.866  -9.430   3.666
  265    HG3  GLU  36           HG1      GLU  36 -10.107  -7.854   3.845
  266    H    ASP  37           HN       ASP  37 -11.739  -4.920   3.355
  267    HA   ASP  37           HA       ASP  37 -14.562  -4.856   2.749
  268    HB2  ASP  37           HB2      ASP  37 -13.859  -4.843   5.113
  269    HB3  ASP  37           HB1      ASP  37 -13.028  -3.310   4.853
  270    H    ILE  38           HN       ILE  38 -11.740  -2.989   2.096
  271    HA   ILE  38           HA       ILE  38 -13.372  -0.730   1.300
  272    HB   ILE  38           HB       ILE  38 -11.313   0.520   0.847
  273   HG12  ILE  38          HG12      ILE  38  -9.858  -1.993   1.701
  274   HG13  ILE  38          HG11      ILE  38  -9.928  -1.378   0.055
  275   HG21  ILE  38          HG21      ILE  38 -10.436   0.607   3.147
  276   HG22  ILE  38          HG22      ILE  38 -11.281  -0.902   3.508
  277   HG23  ILE  38          HG23      ILE  38 -12.200   0.547   3.105
  278   HD11  ILE  38          HD11      ILE  38  -8.717   0.625   0.758
  279   HD12  ILE  38          HD12      ILE  38  -7.808  -0.844   1.108
  280   HD13  ILE  38          HD13      ILE  38  -8.649   0.001   2.407
  281    H    GLY  39           HN       GLY  39 -13.282  -3.346  -0.114
  282    HA2  GLY  39           HA2      GLY  39 -13.778  -3.989  -2.261
  283    HA3  GLY  39           HA1      GLY  39 -13.710  -2.297  -2.714
  284    H    TYR  40           HN       TYR  40 -10.974  -4.066  -1.295
  285    HA   TYR  40           HA       TYR  40  -9.666  -3.681  -3.853
  286    HB2  TYR  40           HB2      TYR  40  -8.881  -3.069  -1.152
  287    HB3  TYR  40           HB1      TYR  40  -7.684  -4.058  -1.987
  288    HD1  TYR  40           HD1      TYR  40  -9.481  -0.843  -2.020
  289    HD2  TYR  40           HD2      TYR  40  -6.490  -3.231  -3.850
  290    HE1  TYR  40           HE1      TYR  40  -8.707   1.108  -3.313
  291    HE2  TYR  40           HE2      TYR  40  -5.710  -1.310  -5.124
  292    HH   TYR  40           HH       TYR  40  -6.559   1.815  -4.458
  293    H    ASP  41           HN       ASP  41  -8.642  -5.224  -4.839
  294    HA   ASP  41           HA       ASP  41  -8.842  -7.965  -3.808
  295    HB2  ASP  41           HB2      ASP  41  -8.006  -6.920  -6.520
  296    HB3  ASP  41           HB1      ASP  41  -7.945  -8.615  -6.071
  297    H    SER  42           HN       SER  42  -6.935  -9.381  -4.210
  298    HA   SER  42           HA       SER  42  -4.680  -8.440  -2.769
  299    HB2  SER  42           HB2      SER  42  -4.719 -10.849  -4.583
  300    HB3  SER  42           HB1      SER  42  -3.841 -10.631  -3.063
  301    H    LEU  43           HN       LEU  43  -5.396  -9.098  -6.100
  302    HA   LEU  43           HA       LEU  43  -2.860  -8.658  -7.246
  303    HB2  LEU  43           HB2      LEU  43  -5.587  -8.349  -8.493
  304    HB3  LEU  43           HB1      LEU  43  -4.076  -8.586  -9.350
  305    HG   LEU  43           HG       LEU  43  -5.307 -10.602  -7.470
  306   HD11  LEU  43          HD11      LEU  43  -5.249 -10.539 -10.472
  307   HD12  LEU  43          HD12      LEU  43  -6.664 -10.309  -9.448
  308   HD13  LEU  43          HD13      LEU  43  -5.838 -11.869  -9.474
  309   HD21  LEU  43          HD21      LEU  43  -3.656 -12.135  -8.421
  310   HD22  LEU  43          HD22      LEU  43  -2.879 -10.772  -7.610
  311   HD23  LEU  43          HD23      LEU  43  -2.974 -10.814  -9.368
  312    H    ALA  44           HN       ALA  44  -5.501  -6.567  -6.382
  313    HA   ALA  44           HA       ALA  44  -4.524  -4.286  -7.791
  314    HB1  ALA  44           HB1      ALA  44  -6.912  -4.586  -7.316
  315    HB2  ALA  44           HB2      ALA  44  -6.297  -3.082  -6.631
  316    HB3  ALA  44           HB3      ALA  44  -6.581  -4.473  -5.587
  317    H    LEU  45           HN       LEU  45  -3.988  -5.732  -4.700
  318    HA   LEU  45           HA       LEU  45  -2.819  -3.431  -3.449
  319    HB2  LEU  45           HB2      LEU  45  -2.292  -6.322  -2.813
  320    HB3  LEU  45           HB1      LEU  45  -2.014  -4.953  -1.767
  321    HG   LEU  45           HG       LEU  45  -4.663  -6.084  -2.603
  322   HD11  LEU  45          HD11      LEU  45  -4.932  -6.461  -0.204
  323   HD12  LEU  45          HD12      LEU  45  -3.304  -5.832   0.061
  324   HD13  LEU  45          HD13      LEU  45  -3.533  -7.321  -0.856
  325   HD21  LEU  45          HD21      LEU  45  -4.777  -3.669  -2.598
  326   HD22  LEU  45          HD22      LEU  45  -4.049  -3.633  -0.990
  327   HD23  LEU  45          HD23      LEU  45  -5.652  -4.334  -1.218
  328    H    MET  46           HN       MET  46  -1.709  -6.207  -5.207
  329    HA   MET  46           HA       MET  46   1.070  -5.747  -5.104
  330    HB2  MET  46           HB2      MET  46  -0.546  -7.000  -7.336
  331    HB3  MET  46           HB1      MET  46   1.180  -7.190  -7.082
  332    HG2  MET  46           HG2      MET  46   0.840  -8.485  -5.119
  333    HG3  MET  46           HG1      MET  46  -0.871  -8.072  -5.072
  334    HE1  MET  46           HE1      MET  46  -1.170 -11.835  -5.927
  335    HE2  MET  46           HE2      MET  46  -1.764 -10.507  -4.927
  336    HE3  MET  46           HE3      MET  46  -0.091 -11.046  -4.775
  337    H    GLU  47           HN       GLU  47  -1.452  -4.760  -7.370
  338    HA   GLU  47           HA       GLU  47   0.021  -3.271  -9.191
  339    HB2  GLU  47           HB2      GLU  47  -2.379  -3.912  -9.397
  340    HB3  GLU  47           HB1      GLU  47  -2.772  -2.727  -8.169
  341    HG2  GLU  47           HG2      GLU  47  -3.274  -1.945 -10.420
  342    HG3  GLU  47           HG1      GLU  47  -2.066  -0.939  -9.618
  343    H    THR  48           HN       THR  48  -1.485  -2.282  -6.176
  344    HA   THR  48           HA       THR  48  -0.774   0.423  -6.170
  345    HB   THR  48           HB       THR  48  -1.236  -1.502  -3.880
  346    HG1  THR  48           HG1      THR  48  -3.083  -1.393  -5.090
  347   HG21  THR  48          HG21      THR  48  -1.772   0.488  -2.556
  348   HG22  THR  48          HG22      THR  48  -1.337   1.528  -3.918
  349   HG23  THR  48          HG23      THR  48  -0.102   0.547  -3.123
  350    H    ALA  49           HN       ALA  49   0.805  -2.386  -4.613
  351    HA   ALA  49           HA       ALA  49   3.014  -0.998  -3.630
  352    HB1  ALA  49           HB1      ALA  49   2.830  -3.916  -4.396
  353    HB2  ALA  49           HB2      ALA  49   2.400  -3.224  -2.824
  354    HB3  ALA  49           HB3      ALA  49   4.072  -3.187  -3.375
  355    H    ALA  50           HN       ALA  50   2.438  -2.509  -6.757
  356    HA   ALA  50           HA       ALA  50   4.977  -2.495  -7.829
  357    HB1  ALA  50           HB1      ALA  50   3.927  -2.534 -10.009
  358    HB2  ALA  50           HB2      ALA  50   2.408  -1.973  -9.308
  359    HB3  ALA  50           HB3      ALA  50   3.041  -3.564  -8.882
  360    H    ARG  51           HN       ARG  51   2.642   0.187  -7.766
  361    HA   ARG  51           HA       ARG  51   4.339   1.840  -9.361
  362    HB2  ARG  51           HB2      ARG  51   2.833   3.649  -9.001
  363    HB3  ARG  51           HB1      ARG  51   1.825   2.220  -9.044
  364    HG2  ARG  51           HG2      ARG  51   1.729   2.267  -6.571
  365    HG3  ARG  51           HG1      ARG  51   2.670   3.761  -6.597
  366    HD2  ARG  51           HD2      ARG  51   0.421   4.457  -6.429
  367    HD3  ARG  51           HD1      ARG  51   0.849   4.693  -8.122
  368    HE   ARG  51           HE       ARG  51  -0.913   2.682  -6.987
  369   HH11  ARG  51          HH11      ARG  51   0.369   4.253  -9.938
  370   HH12  ARG  51          HH12      ARG  51  -0.643   3.341 -10.980
  371   HH21  ARG  51          HH21      ARG  51  -2.294   1.532  -8.499
  372   HH22  ARG  51          HH22      ARG  51  -2.117   1.819 -10.198
  373    H    LEU  52           HN       LEU  52   4.017   1.216  -5.986
  374    HA   LEU  52           HA       LEU  52   5.706   3.304  -5.069
  375    HB2  LEU  52           HB2      LEU  52   4.931   0.682  -3.794
  376    HB3  LEU  52           HB1      LEU  52   5.775   1.979  -2.974
  377    HG   LEU  52           HG       LEU  52   2.994   2.195  -4.125
  378   HD11  LEU  52          HD11      LEU  52   3.056   0.676  -2.224
  379   HD12  LEU  52          HD12      LEU  52   2.252   2.187  -1.795
  380   HD13  LEU  52          HD13      LEU  52   3.909   1.887  -1.271
  381   HD21  LEU  52          HD21      LEU  52   4.191   4.315  -4.088
  382   HD22  LEU  52          HD22      LEU  52   4.593   4.073  -2.389
  383   HD23  LEU  52          HD23      LEU  52   2.913   4.298  -2.874
  384    H    GLU  53           HN       GLU  53   6.162  -0.090  -5.893
  385    HA   GLU  53           HA       GLU  53   8.871  -0.365  -5.298
  386    HB2  GLU  53           HB2      GLU  53   7.247  -1.652  -7.498
  387    HB3  GLU  53           HB1      GLU  53   8.869  -2.145  -7.050
  388    HG2  GLU  53           HG2      GLU  53   8.077  -2.763  -4.829
  389    HG3  GLU  53           HG1      GLU  53   6.447  -2.242  -5.265
  390    H    SER  54           HN       SER  54   7.273   0.664  -8.237
  391    HA   SER  54           HA       SER  54   9.563   1.063  -9.809
  392    HB2  SER  54           HB2      SER  54   6.900   2.487  -9.999
  393    HB3  SER  54           HB1      SER  54   8.101   2.349 -11.283
  394    HG   SER  54           HG       SER  54   6.629   0.228 -10.070
  395    H    ARG  55           HN       ARG  55   7.671   3.380  -7.856
  396    HA   ARG  55           HA       ARG  55   9.277   5.613  -8.485
  397    HB2  ARG  55           HB2      ARG  55   7.010   5.919  -7.701
  398    HB3  ARG  55           HB1      ARG  55   7.395   5.112  -6.195
  399    HG2  ARG  55           HG2      ARG  55   8.910   6.932  -5.588
  400    HG3  ARG  55           HG1      ARG  55   8.510   7.755  -7.100
  401    HD2  ARG  55           HD2      ARG  55   6.243   8.016  -6.438
  402    HD3  ARG  55           HD1      ARG  55   6.470   6.965  -5.044
  403    HE   ARG  55           HE       ARG  55   8.257   9.041  -4.754
  404   HH11  ARG  55          HH11      ARG  55   4.754   8.865  -5.140
  405   HH12  ARG  55          HH12      ARG  55   4.383  10.031  -3.960
  406   HH21  ARG  55          HH21      ARG  55   7.806  10.673  -3.157
  407   HH22  ARG  55          HH22      ARG  55   6.200  11.118  -2.802
  408    H    TYR  56           HN       TYR  56   9.204   3.568  -5.552
  409    HA   TYR  56           HA       TYR  56  11.323   5.157  -4.423
  410    HB2  TYR  56           HB2      TYR  56   9.751   2.845  -3.299
  411    HB3  TYR  56           HB1      TYR  56  11.021   3.687  -2.418
  412    HD1  TYR  56           HD2      TYR  56   7.596   3.937  -3.731
  413    HD2  TYR  56           HD1      TYR  56  10.662   5.940  -1.584
  414    HE1  TYR  56           HE2      TYR  56   5.962   5.601  -2.968
  415    HE2  TYR  56           HE1      TYR  56   9.038   7.611  -0.803
  416    HH   TYR  56           HH       TYR  56   5.656   7.203  -1.187
  417    H    GLY  57           HN       GLY  57  11.206   2.297  -6.274
  418    HA2  GLY  57           HA2      GLY  57  12.992   1.110  -7.104
  419    HA3  GLY  57           HA1      GLY  57  14.066   2.065  -6.086
  420    H    VAL  58           HN       VAL  58  11.505  -0.352  -5.768
  421    HA   VAL  58           HA       VAL  58  13.187  -1.846  -3.943
  422    HB   VAL  58           HB       VAL  58  11.823  -0.264  -2.558
  423   HG11  VAL  58          HG11      VAL  58   9.426  -0.606  -2.254
  424   HG12  VAL  58          HG12      VAL  58   9.441  -1.730  -3.615
  425   HG13  VAL  58          HG13      VAL  58   9.862  -0.036  -3.866
  426   HG21  VAL  58          HG21      VAL  58  10.983  -1.862  -0.913
  427   HG22  VAL  58          HG22      VAL  58  12.553  -2.360  -1.550
  428   HG23  VAL  58          HG23      VAL  58  11.075  -3.147  -2.110
  429    H    SER  59           HN       SER  59  12.062  -4.080  -3.489
  430    HA   SER  59           HA       SER  59  10.352  -4.854  -5.732
  431    HB2  SER  59           HB2      SER  59  12.770  -5.410  -6.175
  432    HB3  SER  59           HB1      SER  59  12.770  -6.391  -4.717
  433    HG   SER  59           HG       SER  59  10.718  -7.210  -6.271
  434    H    ILE  60           HN       ILE  60   8.559  -5.781  -4.961
  435    HA   ILE  60           HA       ILE  60   8.689  -7.238  -2.401
  436    HB   ILE  60           HB       ILE  60   6.394  -5.523  -3.411
  437   HG12  ILE  60          HG12      ILE  60   8.238  -5.126  -1.042
  438   HG13  ILE  60          HG11      ILE  60   8.258  -4.190  -2.530
  439   HG21  ILE  60          HG21      ILE  60   5.302  -6.028  -1.261
  440   HG22  ILE  60          HG22      ILE  60   6.623  -7.127  -0.860
  441   HG23  ILE  60          HG23      ILE  60   5.565  -7.483  -2.226
  442   HD11  ILE  60          HD11      ILE  60   6.001  -4.302  -0.550
  443   HD12  ILE  60          HD12      ILE  60   6.032  -3.354  -2.039
  444   HD13  ILE  60          HD13      ILE  60   7.162  -2.989  -0.736
  445    HA   PRO  61           HA       PRO  61   7.250 -10.623  -4.993
  446    HB2  PRO  61           HB2      PRO  61   6.514 -11.727  -2.328
  447    HB3  PRO  61           HB1      PRO  61   7.488 -12.453  -3.612
  448    HG2  PRO  61           HG2      PRO  61   8.652 -11.525  -1.416
  449    HG3  PRO  61           HG1      PRO  61   9.397 -11.286  -3.010
  450    HD2  PRO  61           HD2      PRO  61   7.858  -9.347  -1.329
  451    HD3  PRO  61           HD1      PRO  61   9.328  -9.088  -2.294
  452    H    ASP  62           HN       ASP  62   5.297 -11.257  -5.722
  453    HA   ASP  62           HA       ASP  62   3.075  -9.586  -5.346
  454    HB2  ASP  62           HB2      ASP  62   3.101 -12.369  -6.534
  455    HB3  ASP  62           HB1      ASP  62   1.776 -11.224  -6.656
  456    H    ASP  63           HN       ASP  63   3.677 -12.851  -4.151
  457    HA   ASP  63           HA       ASP  63   1.207 -13.395  -2.982
  458    HB2  ASP  63           HB2      ASP  63   2.989 -15.091  -3.172
  459    HB3  ASP  63           HB1      ASP  63   3.904 -14.256  -1.920
  460    H    VAL  64           HN       VAL  64   3.945 -11.745  -1.663
  461    HA   VAL  64           HA       VAL  64   3.085 -11.384   0.993
  462    HB   VAL  64           HB       VAL  64   4.865  -9.653  -0.714
  463   HG11  VAL  64          HG11      VAL  64   5.882  -8.949   1.445
  464   HG12  VAL  64          HG12      VAL  64   4.673  -9.905   2.302
  465   HG13  VAL  64          HG13      VAL  64   4.176  -8.510   1.343
  466   HG21  VAL  64          HG21      VAL  64   5.560 -11.970   1.094
  467   HG22  VAL  64          HG22      VAL  64   6.728 -10.929   0.282
  468   HG23  VAL  64          HG23      VAL  64   5.648 -11.953  -0.668
  469    H    ALA  65           HN       ALA  65   3.050  -9.154  -1.778
  470    HA   ALA  65           HA       ALA  65   1.671  -7.047  -0.536
  471    HB1  ALA  65           HB1      ALA  65   2.971  -6.803  -2.608
  472    HB2  ALA  65           HB2      ALA  65   1.334  -6.166  -2.779
  473    HB3  ALA  65           HB3      ALA  65   1.749  -7.731  -3.474
  474    H    GLY  66           HN       GLY  66   0.471  -9.919  -2.116
  475    HA2  GLY  66           HA2      GLY  66  -2.267  -8.952  -2.096
  476    HA3  GLY  66           HA1      GLY  66  -1.735 -10.547  -2.597
  477    H    ARG  67           HN       ARG  67  -0.316 -10.064   0.311
  478    HA   ARG  67           HA       ARG  67  -2.573 -11.280   1.728
  479    HB2  ARG  67           HB2      ARG  67   0.324 -11.982   1.774
  480    HB3  ARG  67           HB1      ARG  67  -0.727 -12.388   3.121
  481    HG2  ARG  67           HG2      ARG  67  -2.136 -13.707   1.685
  482    HG3  ARG  67           HG1      ARG  67  -1.188 -13.230   0.271
  483    HD2  ARG  67           HD2      ARG  67  -0.628 -15.475   1.173
  484    HD3  ARG  67           HD1      ARG  67   0.733 -14.356   1.084
  485    HE   ARG  67           HE       ARG  67  -0.730 -14.635   3.597
  486   HH11  ARG  67          HH11      ARG  67   2.235 -15.164   1.685
  487   HH12  ARG  67          HH12      ARG  67   3.210 -15.510   3.031
  488   HH21  ARG  67          HH21      ARG  67   0.657 -15.086   5.480
  489   HH22  ARG  67          HH22      ARG  67   2.302 -15.473   5.237
  490    H    VAL  68           HN       VAL  68  -1.327  -8.462   1.600
  491    HA   VAL  68           HA       VAL  68  -0.974  -8.141   4.457
  492    HB   VAL  68           HB       VAL  68  -0.636  -5.686   3.939
  493   HG11  VAL  68          HG11      VAL  68   1.571  -5.983   2.923
  494   HG12  VAL  68          HG12      VAL  68   1.132  -7.629   2.472
  495   HG13  VAL  68          HG13      VAL  68   1.246  -7.183   4.174
  496   HG21  VAL  68          HG21      VAL  68  -1.890  -5.547   1.832
  497   HG22  VAL  68          HG22      VAL  68  -0.718  -6.625   1.065
  498   HG23  VAL  68          HG23      VAL  68  -0.216  -5.028   1.613
  499    H    ASP  69           HN       ASP  69  -2.712  -8.273   5.578
  500    HA   ASP  69           HA       ASP  69  -5.349  -8.024   4.735
  501    HB2  ASP  69           HB2      ASP  69  -4.234  -7.660   7.521
  502    HB3  ASP  69           HB1      ASP  69  -5.920  -7.937   7.137
  503    H    THR  70           HN       THR  70  -3.371  -5.751   6.574
  504    HA   THR  70           HA       THR  70  -5.306  -3.631   5.953
  505    HB   THR  70           HB       THR  70  -4.413  -2.500   8.030
  506    HG1  THR  70           HG1      THR  70  -3.001  -4.969   8.219
  507   HG21  THR  70          HG21      THR  70  -6.540  -3.729   8.092
  508   HG22  THR  70          HG22      THR  70  -5.672  -3.920   9.615
  509   HG23  THR  70          HG23      THR  70  -5.676  -5.223   8.433
  510    HA   PRO  71           HA       PRO  71  -2.326  -1.385   3.588
  511    HB2  PRO  71           HB2      PRO  71  -3.090   1.055   5.093
  512    HB3  PRO  71           HB1      PRO  71  -3.129   0.745   3.352
  513    HG2  PRO  71           HG2      PRO  71  -5.380   0.787   4.742
  514    HG3  PRO  71           HG1      PRO  71  -5.126  -0.437   3.479
  515    HD2  PRO  71           HD2      PRO  71  -4.886  -0.705   6.450
  516    HD3  PRO  71           HD1      PRO  71  -5.641  -1.805   5.278
  517    H    ARG  72           HN       ARG  72  -2.252  -1.038   7.026
  518    HA   ARG  72           HA       ARG  72   0.126   0.421   7.321
  519    HB2  ARG  72           HB2      ARG  72  -1.417   0.097   9.145
  520    HB3  ARG  72           HB1      ARG  72  -1.161  -1.636   9.099
  521    HG2  ARG  72           HG2      ARG  72   1.096  -1.369   9.885
  522    HG3  ARG  72           HG1      ARG  72   0.951   0.391   9.796
  523    HD2  ARG  72           HD2      ARG  72  -0.748  -1.403  11.516
  524    HD3  ARG  72           HD1      ARG  72   0.648  -0.478  12.084
  525    HE   ARG  72           HE       ARG  72  -0.559   1.525  11.362
  526   HH11  ARG  72          HH11      ARG  72  -2.536  -1.388  11.840
  527   HH12  ARG  72          HH12      ARG  72  -3.851  -0.540  12.530
  528   HH21  ARG  72          HH21      ARG  72  -2.478   2.693  12.183
  529   HH22  ARG  72          HH22      ARG  72  -3.847   1.793  12.646
  530    H    GLU  73           HN       GLU  73  -0.530  -2.978   6.889
  531    HA   GLU  73           HA       GLU  73   2.085  -3.923   7.395
  532    HB2  GLU  73           HB2      GLU  73  -0.197  -5.151   5.840
  533    HB3  GLU  73           HB1      GLU  73   1.229  -6.014   6.420
  534    HG2  GLU  73           HG2      GLU  73   0.618  -5.630   8.697
  535    HG3  GLU  73           HG1      GLU  73  -0.703  -4.573   8.212
  536    H    LEU  74           HN       LEU  74   0.319  -2.969   4.530
  537    HA   LEU  74           HA       LEU  74   2.307  -3.627   2.583
  538    HB2  LEU  74           HB2      LEU  74  -0.190  -3.246   2.212
  539    HB3  LEU  74           HB1      LEU  74   0.108  -1.539   2.405
  540    HG   LEU  74           HG       LEU  74  -0.226  -2.311   0.053
  541   HD11  LEU  74          HD11      LEU  74   0.931  -0.216   0.433
  542   HD12  LEU  74          HD12      LEU  74   1.620  -1.058  -0.957
  543   HD13  LEU  74          HD13      LEU  74   2.466  -1.072   0.592
  544   HD21  LEU  74          HD21      LEU  74   2.433  -3.671   0.442
  545   HD22  LEU  74          HD22      LEU  74   1.602  -3.471  -1.100
  546   HD23  LEU  74          HD23      LEU  74   0.877  -4.455   0.172
  547    H    LEU  75           HN       LEU  75   1.514  -0.741   4.431
  548    HA   LEU  75           HA       LEU  75   3.301   1.128   3.386
  549    HB2  LEU  75           HB2      LEU  75   1.496   1.610   5.004
  550    HB3  LEU  75           HB1      LEU  75   2.366   0.730   6.238
  551    HG   LEU  75           HG       LEU  75   4.171   2.458   6.096
  552   HD11  LEU  75          HD11      LEU  75   3.726   3.269   3.861
  553   HD12  LEU  75          HD12      LEU  75   3.644   4.584   5.037
  554   HD13  LEU  75          HD13      LEU  75   2.160   3.892   4.380
  555   HD21  LEU  75          HD21      LEU  75   2.919   4.148   7.338
  556   HD22  LEU  75          HD22      LEU  75   2.470   2.514   7.838
  557   HD23  LEU  75          HD23      LEU  75   1.404   3.439   6.779
  558    H    ASP  76           HN       ASP  76   3.679  -1.109   6.114
  559    HA   ASP  76           HA       ASP  76   6.344  -0.547   6.712
  560    HB2  ASP  76           HB2      ASP  76   4.625  -2.917   7.298
  561    HB3  ASP  76           HB1      ASP  76   6.344  -2.979   7.652
  562    H    LEU  77           HN       LEU  77   5.033  -2.752   4.350
  563    HA   LEU  77           HA       LEU  77   7.343  -4.222   3.784
  564    HB2  LEU  77           HB2      LEU  77   5.169  -3.346   1.891
  565    HB3  LEU  77           HB1      LEU  77   6.384  -4.540   1.498
  566    HG   LEU  77           HG       LEU  77   4.233  -4.789   3.586
  567   HD11  LEU  77          HD11      LEU  77   4.665  -6.170   0.946
  568   HD12  LEU  77          HD12      LEU  77   3.428  -4.966   1.308
  569   HD13  LEU  77          HD13      LEU  77   3.389  -6.540   2.103
  570   HD21  LEU  77          HD21      LEU  77   6.287  -5.919   4.301
  571   HD22  LEU  77          HD22      LEU  77   6.366  -6.761   2.753
  572   HD23  LEU  77          HD23      LEU  77   5.038  -7.086   3.866
  573    H    ILE  78           HN       ILE  78   6.252  -1.142   2.506
  574    HA   ILE  78           HA       ILE  78   8.481  -0.784   0.742
  575    HB   ILE  78           HB       ILE  78   6.658   1.344   1.915
  576   HG12  ILE  78          HG12      ILE  78   5.348  -0.426   0.762
  577   HG13  ILE  78          HG11      ILE  78   5.262   1.126  -0.062
  578   HG21  ILE  78          HG21      ILE  78   8.684   2.230   0.879
  579   HG22  ILE  78          HG22      ILE  78   7.258   2.641  -0.070
  580   HG23  ILE  78          HG23      ILE  78   8.327   1.342  -0.606
  581   HD11  ILE  78          HD11      ILE  78   6.899   0.336  -1.695
  582   HD12  ILE  78          HD12      ILE  78   5.472  -0.698  -1.640
  583   HD13  ILE  78          HD13      ILE  78   6.970  -1.220  -0.868
  584    H    ASN  79           HN       ASN  79   7.502   0.721   3.820
  585    HA   ASN  79           HA       ASN  79   9.648   2.370   4.374
  586    HB2  ASN  79           HB2      ASN  79   7.977   0.761   6.305
  587    HB3  ASN  79           HB1      ASN  79   9.147   1.955   6.823
  588   HD21  ASN  79          HD21      ASN  79   8.516   3.879   4.730
  589   HD22  ASN  79          HD22      ASN  79   6.945   4.499   5.128
  590    H    GLY  80           HN       GLY  80   9.331  -1.009   5.452
  591    HA2  GLY  80           HA2      GLY  80  11.797  -1.090   6.808
  592    HA3  GLY  80           HA1      GLY  80  10.839  -2.473   6.312
  593    H    ALA  81           HN       ALA  81  10.903  -2.229   3.559
  594    HA   ALA  81           HA       ALA  81  13.430  -3.396   3.071
  595    HB1  ALA  81           HB1      ALA  81  11.405  -4.079   1.883
  596    HB2  ALA  81           HB2      ALA  81  12.703  -3.631   0.772
  597    HB3  ALA  81           HB3      ALA  81  11.365  -2.517   1.064
  598    H    LEU  82           HN       LEU  82  12.163  -0.180   2.506
  599    HA   LEU  82           HA       LEU  82  14.380   0.679   0.935
  600    HB2  LEU  82           HB2      LEU  82  12.399   2.282   2.543
  601    HB3  LEU  82           HB1      LEU  82  13.601   2.978   1.472
  602    HG   LEU  82           HG       LEU  82  11.291   1.216   0.666
  603   HD11  LEU  82          HD11      LEU  82  11.825   4.145   0.242
  604   HD12  LEU  82          HD12      LEU  82  10.630   3.451   1.336
  605   HD13  LEU  82          HD13      LEU  82  10.459   3.238  -0.408
  606   HD21  LEU  82          HD21      LEU  82  11.970   1.727  -1.637
  607   HD22  LEU  82          HD22      LEU  82  13.233   0.848  -0.774
  608   HD23  LEU  82          HD23      LEU  82  13.387   2.583  -1.028
  609    H    ALA  83           HN       ALA  83  13.557   0.895   4.360
  610    HA   ALA  83           HA       ALA  83  15.811   2.400   5.136
  611    HB1  ALA  83           HB1      ALA  83  13.781   2.221   6.504
  612    HB2  ALA  83           HB2      ALA  83  15.224   1.765   7.413
  613    HB3  ALA  83           HB3      ALA  83  14.139   0.520   6.800
  614    H    GLU  84           HN       GLU  84  15.251  -1.040   4.803
  615    HA   GLU  84           HA       GLU  84  17.670  -1.894   6.038
  616    HB2  GLU  84           HB2      GLU  84  15.677  -3.348   5.701
  617    HB3  GLU  84           HB1      GLU  84  15.984  -3.325   3.969
  618    HG2  GLU  84           HG2      GLU  84  18.216  -4.340   4.446
  619    HG3  GLU  84           HG1      GLU  84  17.699  -4.530   6.118
  620    H    ALA  85           HN       ALA  85  17.018  -0.431   3.032
  621    HA   ALA  85           HA       ALA  85  19.503  -1.445   1.854
  622    HB1  ALA  85           HB1      ALA  85  17.496  -1.743   0.480
  623    HB2  ALA  85           HB2      ALA  85  18.626  -0.628  -0.281
  624    HB3  ALA  85           HB3      ALA  85  17.192  -0.007   0.543
  625    H    ALA  86           HN       ALA  86  18.811   0.835   3.880
  626    HA   ALA  86           HA       ALA  86  20.200   2.977   2.454
  627    HB1  ALA  86           HB1      ALA  86  18.451   3.173   4.913
  628    HB2  ALA  86           HB2      ALA  86  17.964   3.594   3.273
  629    HB3  ALA  86           HB3      ALA  86  19.230   4.520   4.083
  630   H282  PNS  87          H28A      PNS  87  -7.625 -14.267  -4.650
  631   H281  PNS  87          H28B      PNS  87  -7.236 -13.317  -6.087
  632   H303  PNS  87          H30A      PNS  87  -6.085 -16.781  -6.779
  633   H302  PNS  87          H30B      PNS  87  -7.221 -15.523  -7.266
  634   H301  PNS  87          H30C      PNS  87  -7.453 -16.379  -5.741
  635   H313  PNS  87          H31A      PNS  87  -5.373 -13.932  -7.537
  636   H312  PNS  87          H31B      PNS  87  -4.188 -15.135  -7.033
  637   H311  PNS  87          H31C      PNS  87  -4.279 -13.584  -6.198
  638    H32  PNS  87          H32A      PNS  87  -4.505 -14.875  -3.976
  639    H33  PNS  87          H33A      PNS  87  -4.357 -17.329  -4.333
  640    H36  PNS  87          H36A      PNS  87  -7.035 -14.689  -3.184
  641   H372  PNS  87          H37A      PNS  87  -8.250 -17.099  -2.180
  642   H371  PNS  87          H37B      PNS  87  -7.444 -16.118  -0.956
  643   H382  PNS  87          H38A      PNS  87  -8.717 -14.166  -1.690
  644   H381  PNS  87          H38B      PNS  87  -9.646 -15.192  -2.789
  645    H41  PNS  87          H41A      PNS  87 -11.132 -13.879  -1.347
  646   H422  PNS  87          H42A      PNS  87 -12.938 -15.206  -0.084
  647   H421  PNS  87          H42B      PNS  87 -11.785 -14.994   1.250
  648   H431  PNS  87          H43A      PNS  87 -11.918 -12.623   1.015
  649   H432  PNS  87          H43B      PNS  87 -13.599 -13.194   1.036
  650    H44  PNS  87           H1       PNS  87 -13.310 -11.105  -0.791
  Start of MODEL    9
    1    H1   MET   1           HT1      MET   1  21.765   6.137   0.790
    2    H2   MET   1           HT2      MET   1  20.672   6.174  -0.523
    3    H3   MET   1           HT3      MET   1  20.655   4.884   0.564
    4    HA   MET   1           HA       MET   1  19.872   6.237   2.309
    5    HB2  MET   1           HB2      MET   1  19.835   8.393   0.172
    6    HB3  MET   1           HB1      MET   1  19.099   8.539   1.759
    7    HG2  MET   1           HG2      MET   1  21.253   8.421   2.821
    8    HG3  MET   1           HG1      MET   1  22.032   8.109   1.273
    9    HE1  MET   1           HE1      MET   1  22.240   9.916  -0.672
   10    HE2  MET   1           HE2      MET   1  21.543  11.534  -0.582
   11    HE3  MET   1           HE3      MET   1  20.488  10.123  -0.658
   12    H    ALA   2           HN       ALA   2  17.562   6.616   2.474
   13    HA   ALA   2           HA       ALA   2  16.070   5.901   0.065
   14    HB1  ALA   2           HB1      ALA   2  15.650   4.714   2.811
   15    HB2  ALA   2           HB2      ALA   2  16.308   3.870   1.410
   16    HB3  ALA   2           HB3      ALA   2  14.634   4.423   1.401
   17    H    THR   3           HN       THR   3  13.682   6.304   0.510
   18    HA   THR   3           HA       THR   3  13.264   8.426   2.417
   19    HB   THR   3           HB       THR   3  13.630   9.613   0.338
   20    HG1  THR   3           HG1      THR   3  11.940  10.451   1.516
   21   HG21  THR   3          HG21      THR   3  12.318   9.210  -1.722
   22   HG22  THR   3          HG22      THR   3  11.558   7.815  -0.957
   23   HG23  THR   3          HG23      THR   3  13.292   7.805  -1.286
   24    H    LEU   4           HN       LEU   4  11.934   7.509   3.716
   25    HA   LEU   4           HA       LEU   4  10.257   5.327   2.960
   26    HB2  LEU   4           HB2      LEU   4  10.257   6.879   5.547
   27    HB3  LEU   4           HB1      LEU   4   9.504   5.327   5.272
   28    HG   LEU   4           HG       LEU   4  12.463   5.901   5.298
   29   HD11  LEU   4          HD11      LEU   4  12.477   4.446   7.256
   30   HD12  LEU   4          HD12      LEU   4  10.720   4.310   7.168
   31   HD13  LEU   4          HD13      LEU   4  11.469   5.872   7.505
   32   HD21  LEU   4          HD21      LEU   4  12.765   3.491   5.025
   33   HD22  LEU   4          HD22      LEU   4  11.946   4.200   3.634
   34   HD23  LEU   4          HD23      LEU   4  11.023   3.294   4.833
   35    H    LEU   5           HN       LEU   5   8.240   5.364   2.294
   36    HA   LEU   5           HA       LEU   5   6.925   7.835   1.987
   37    HB2  LEU   5           HB2      LEU   5   4.946   6.405   1.222
   38    HB3  LEU   5           HB1      LEU   5   6.390   6.417   0.252
   39    HG   LEU   5           HG       LEU   5   6.964   4.160   1.095
   40   HD11  LEU   5          HD11      LEU   5   5.343   2.856   2.337
   41   HD12  LEU   5          HD12      LEU   5   4.296   4.267   2.484
   42   HD13  LEU   5          HD13      LEU   5   5.867   4.247   3.284
   43   HD21  LEU   5          HD21      LEU   5   5.706   4.425  -0.940
   44   HD22  LEU   5          HD22      LEU   5   4.197   4.432  -0.027
   45   HD23  LEU   5          HD23      LEU   5   5.196   2.980  -0.069
   46    H    THR   6           HN       THR   6   5.025   8.536   2.829
   47    HA   THR   6           HA       THR   6   4.718   7.688   5.573
   48    HB   THR   6           HB       THR   6   3.694   9.959   5.901
   49    HG1  THR   6           HG1      THR   6   4.469  10.250   3.147
   50   HG21  THR   6          HG21      THR   6   6.046   9.546   6.456
   51   HG22  THR   6          HG22      THR   6   5.831  11.177   5.825
   52   HG23  THR   6          HG23      THR   6   6.509   9.914   4.795
   53    H    THR   7           HN       THR   7   2.309   8.824   6.125
   54    HA   THR   7           HA       THR   7   0.540   6.777   5.415
   55    HB   THR   7           HB       THR   7   0.027   9.490   6.659
   56    HG1  THR   7           HG1      THR   7   1.504   7.360   7.515
   57   HG21  THR   7          HG21      THR   7  -1.415   6.841   6.932
   58   HG22  THR   7          HG22      THR   7  -2.014   8.248   6.054
   59   HG23  THR   7          HG23      THR   7  -1.820   8.319   7.808
   60    H    ASP   8           HN       ASP   8   0.785  10.219   4.562
   61    HA   ASP   8           HA       ASP   8  -1.471  10.328   2.854
   62    HB2  ASP   8           HB2      ASP   8   1.010  12.053   2.802
   63    HB3  ASP   8           HB1      ASP   8  -0.465  12.390   1.905
   64    H    ASP   9           HN       ASP   9   1.805   9.350   2.307
   65    HA   ASP   9           HA       ASP   9   1.744   9.442  -0.533
   66    HB2  ASP   9           HB2      ASP   9   3.457   7.737   1.275
   67    HB3  ASP   9           HB1      ASP   9   3.656   7.852  -0.467
   68    H    LEU  10           HN       LEU  10   1.284   6.801   1.770
   69    HA   LEU  10           HA       LEU  10   0.665   4.884  -0.198
   70    HB2  LEU  10           HB2      LEU  10   1.322   4.303   2.118
   71    HB3  LEU  10           HB1      LEU  10  -0.213   4.929   2.691
   72    HG   LEU  10           HG       LEU  10  -1.377   3.183   1.343
   73   HD11  LEU  10          HD11      LEU  10  -0.102   1.290   0.493
   74   HD12  LEU  10          HD12      LEU  10   1.400   2.125   0.889
   75   HD13  LEU  10          HD13      LEU  10   0.317   2.791  -0.333
   76   HD21  LEU  10          HD21      LEU  10  -0.948   2.853   3.717
   77   HD22  LEU  10          HD22      LEU  10   0.633   2.163   3.342
   78   HD23  LEU  10          HD23      LEU  10  -0.837   1.330   2.835
   79    H    ARG  11           HN       ARG  11  -1.285   7.172   1.616
   80    HA   ARG  11           HA       ARG  11  -3.849   6.332   0.948
   81    HB2  ARG  11           HB2      ARG  11  -3.354   8.215   2.512
   82    HB3  ARG  11           HB1      ARG  11  -2.901   9.211   1.133
   83    HG2  ARG  11           HG2      ARG  11  -5.203   8.917   0.243
   84    HG3  ARG  11           HG1      ARG  11  -5.621   8.077   1.737
   85    HD2  ARG  11           HD2      ARG  11  -4.986  10.128   2.994
   86    HD3  ARG  11           HD1      ARG  11  -4.728  10.947   1.446
   87    HE   ARG  11           HE       ARG  11  -7.282   9.677   1.831
   88   HH11  ARG  11          HH11      ARG  11  -5.524  12.773   1.991
   89   HH12  ARG  11          HH12      ARG  11  -6.947  13.712   1.885
   90   HH21  ARG  11          HH21      ARG  11  -9.209  11.013   1.680
   91   HH22  ARG  11          HH22      ARG  11  -9.094  12.691   1.727
   92    H    ARG  12           HN       ARG  12  -1.850   8.727  -0.716
   93    HA   ARG  12           HA       ARG  12  -3.549   9.145  -2.893
   94    HB2  ARG  12           HB2      ARG  12  -0.559   9.502  -2.704
   95    HB3  ARG  12           HB1      ARG  12  -1.564  10.119  -4.008
   96    HG2  ARG  12           HG2      ARG  12  -2.778  11.518  -2.436
   97    HG3  ARG  12           HG1      ARG  12  -1.816  10.870  -1.107
   98    HD2  ARG  12           HD2      ARG  12  -0.750  12.414  -3.462
   99    HD3  ARG  12           HD1      ARG  12  -1.028  13.073  -1.854
  100    HE   ARG  12           HE       ARG  12   0.608  11.208  -1.182
  101   HH11  ARG  12          HH11      ARG  12   0.783  13.198  -4.119
  102   HH12  ARG  12          HH12      ARG  12   2.473  13.068  -4.278
  103   HH21  ARG  12          HH21      ARG  12   3.067  11.136  -1.378
  104   HH22  ARG  12          HH22      ARG  12   3.743  11.915  -2.703
  105    H    ALA  13           HN       ALA  13  -0.879   6.887  -2.480
  106    HA   ALA  13           HA       ALA  13  -0.842   5.961  -5.148
  107    HB1  ALA  13           HB1      ALA  13   0.101   4.563  -2.657
  108    HB2  ALA  13           HB2      ALA  13   1.044   5.702  -3.617
  109    HB3  ALA  13           HB3      ALA  13   0.546   4.159  -4.313
  110    H    LEU  14           HN       LEU  14  -2.756   5.068  -2.380
  111    HA   LEU  14           HA       LEU  14  -3.737   2.666  -3.638
  112    HB2  LEU  14           HB2      LEU  14  -3.315   2.852  -1.241
  113    HB3  LEU  14           HB1      LEU  14  -4.601   4.034  -1.090
  114    HG   LEU  14           HG       LEU  14  -6.229   2.285  -1.802
  115   HD11  LEU  14          HD11      LEU  14  -3.844   0.445  -1.607
  116   HD12  LEU  14          HD12      LEU  14  -4.715   0.869  -3.080
  117   HD13  LEU  14          HD13      LEU  14  -5.523  -0.057  -1.816
  118   HD21  LEU  14          HD21      LEU  14  -4.527   1.566   0.585
  119   HD22  LEU  14          HD22      LEU  14  -6.187   1.039   0.301
  120   HD23  LEU  14          HD23      LEU  14  -5.836   2.746   0.565
  121    H    VAL  15           HN       VAL  15  -4.678   5.993  -3.345
  122    HA   VAL  15           HA       VAL  15  -7.347   5.564  -4.336
  123    HB   VAL  15           HB       VAL  15  -5.711   8.145  -4.346
  124   HG11  VAL  15          HG11      VAL  15  -7.857   9.296  -4.559
  125   HG12  VAL  15          HG12      VAL  15  -8.683   7.743  -4.653
  126   HG13  VAL  15          HG13      VAL  15  -7.566   8.225  -5.928
  127   HG21  VAL  15          HG21      VAL  15  -7.755   7.162  -2.366
  128   HG22  VAL  15          HG22      VAL  15  -7.015   8.762  -2.363
  129   HG23  VAL  15          HG23      VAL  15  -6.022   7.330  -2.086
  130    H    GLU  16           HN       GLU  16  -4.220   6.012  -5.605
  131    HA   GLU  16           HA       GLU  16  -4.678   6.736  -8.273
  132    HB2  GLU  16           HB2      GLU  16  -2.496   6.644  -6.992
  133    HB3  GLU  16           HB1      GLU  16  -2.511   4.910  -7.244
  134    HG2  GLU  16           HG2      GLU  16  -1.075   5.820  -8.860
  135    HG3  GLU  16           HG1      GLU  16  -2.560   5.383  -9.706
  136    H    SER  17           HN       SER  17  -4.597   3.544  -6.658
  137    HA   SER  17           HA       SER  17  -4.929   2.047  -9.040
  138    HB2  SER  17           HB2      SER  17  -5.436   0.302  -7.138
  139    HB3  SER  17           HB1      SER  17  -3.798   0.906  -7.416
  140    HG   SER  17           HG       SER  17  -5.589   1.465  -5.351
  141    H    ALA  18           HN       ALA  18  -7.018   3.664  -6.864
  142    HA   ALA  18           HA       ALA  18  -9.327   2.042  -7.292
  143    HB1  ALA  18           HB1      ALA  18  -9.123   4.839  -6.186
  144    HB2  ALA  18           HB2      ALA  18  -9.033   3.347  -5.246
  145    HB3  ALA  18           HB3      ALA  18 -10.527   3.776  -6.077
  146    H    GLY  19           HN       GLY  19  -7.739   4.297  -9.168
  147    HA2  GLY  19           HA2      GLY  19  -8.312   4.647 -11.416
  148    HA3  GLY  19           HA1      GLY  19  -9.984   4.255 -11.026
  149    H    GLU  20           HN       GLU  20 -10.812   5.863  -9.252
  150    HA   GLU  20           HA       GLU  20 -10.171   8.522 -10.282
  151    HB2  GLU  20           HB2      GLU  20 -12.445   7.738 -10.927
  152    HB3  GLU  20           HB1      GLU  20 -12.841   7.542  -9.231
  153    HG2  GLU  20           HG2      GLU  20 -13.775   9.595 -10.239
  154    HG3  GLU  20           HG1      GLU  20 -12.723   9.909  -8.863
  155    H    THR  21           HN       THR  21 -10.476  10.237  -8.760
  156    HA   THR  21           HA       THR  21  -8.986   9.775  -6.382
  157    HB   THR  21           HB       THR  21 -10.415  12.278  -7.084
  158    HG1  THR  21           HG1      THR  21  -9.550  11.803  -9.055
  159   HG21  THR  21          HG21      THR  21  -9.004  12.273  -5.081
  160   HG22  THR  21          HG22      THR  21  -8.291  13.313  -6.316
  161   HG23  THR  21          HG23      THR  21  -7.633  11.700  -6.033
  162    H    ASP  22           HN       ASP  22 -11.158   8.337  -5.884
  163    HA   ASP  22           HA       ASP  22 -13.169   9.867  -4.420
  164    HB2  ASP  22           HB2      ASP  22 -13.914   7.842  -5.605
  165    HB3  ASP  22           HB1      ASP  22 -12.854   6.857  -4.600
  166    H    GLY  23           HN       GLY  23 -11.012   7.181  -3.482
  167    HA2  GLY  23           HA2      GLY  23  -9.657   7.027  -1.623
  168    HA3  GLY  23           HA1      GLY  23 -10.173   8.640  -1.127
  169    H    THR  24           HN       THR  24 -11.505   5.450  -1.664
  170    HA   THR  24           HA       THR  24 -13.870   5.343  -0.419
  171    HB   THR  24           HB       THR  24 -11.814   3.146  -0.204
  172    HG1  THR  24           HG1      THR  24 -12.640   2.662  -2.398
  173   HG21  THR  24          HG21      THR  24 -13.752   1.694  -0.656
  174   HG22  THR  24          HG22      THR  24 -14.798   3.117  -0.735
  175   HG23  THR  24          HG23      THR  24 -14.027   2.673   0.784
  176    H    ASP  25           HN       ASP  25 -13.576   6.837   1.478
  177    HA   ASP  25           HA       ASP  25 -13.544   7.305   3.701
  178    HB2  ASP  25           HB2      ASP  25 -13.531   4.285   3.982
  179    HB3  ASP  25           HB1      ASP  25 -13.578   5.362   5.370
  180    H    LEU  26           HN       LEU  26 -11.112   6.813   2.097
  181    HA   LEU  26           HA       LEU  26  -9.000   5.941   3.875
  182    HB2  LEU  26           HB2      LEU  26  -9.211   6.763   1.067
  183    HB3  LEU  26           HB1      LEU  26  -7.701   7.188   1.833
  184    HG   LEU  26           HG       LEU  26  -7.339   4.790   2.370
  185   HD11  LEU  26          HD11      LEU  26  -9.790   4.335   0.696
  186   HD12  LEU  26          HD12      LEU  26  -9.638   4.031   2.425
  187   HD13  LEU  26          HD13      LEU  26  -8.684   3.091   1.278
  188   HD21  LEU  26          HD21      LEU  26  -7.807   5.426  -0.533
  189   HD22  LEU  26          HD22      LEU  26  -6.812   4.108   0.086
  190   HD23  LEU  26          HD23      LEU  26  -6.351   5.782   0.395
  191    H    SER  27           HN       SER  27 -10.519   8.404   4.672
  192    HA   SER  27           HA       SER  27  -8.710  10.576   4.180
  193    HB2  SER  27           HB2      SER  27 -11.118  10.482   5.993
  194    HB3  SER  27           HB1      SER  27 -10.309  11.933   5.384
  195    HG   SER  27           HG       SER  27 -12.240  11.235   4.175
  196    H    GLY  28           HN       GLY  28  -6.797   9.865   5.103
  197    HA2  GLY  28           HA2      GLY  28  -5.205  10.205   6.761
  198    HA3  GLY  28           HA1      GLY  28  -6.494  10.612   7.881
  199    H    ASP  29           HN       ASP  29  -7.882   8.720   8.473
  200    HA   ASP  29           HA       ASP  29  -6.108   6.618   9.407
  201    HB2  ASP  29           HB2      ASP  29  -7.654   7.684  11.020
  202    HB3  ASP  29           HB1      ASP  29  -9.023   7.125  10.065
  203    H    PHE  30           HN       PHE  30  -5.757   5.453   7.572
  204    HA   PHE  30           HA       PHE  30  -8.085   3.860   6.742
  205    HB2  PHE  30           HB2      PHE  30  -7.384   3.867   4.426
  206    HB3  PHE  30           HB1      PHE  30  -7.539   5.520   4.997
  207    HD1  PHE  30           HD1      PHE  30  -5.499   6.845   5.488
  208    HD2  PHE  30           HD2      PHE  30  -5.321   3.035   3.617
  209    HE1  PHE  30           HE1      PHE  30  -3.232   7.344   4.696
  210    HE2  PHE  30           HE2      PHE  30  -3.057   3.531   2.822
  211    HZ   PHE  30           HZ       PHE  30  -1.981   5.619   3.412
  212    H    LEU  31           HN       LEU  31  -5.174   3.713   8.230
  213    HA   LEU  31           HA       LEU  31  -4.092   1.387   6.889
  214    HB2  LEU  31           HB2      LEU  31  -3.317   2.583   9.565
  215    HB3  LEU  31           HB1      LEU  31  -2.461   1.301   8.754
  216    HG   LEU  31           HG       LEU  31  -1.180   3.227   8.477
  217   HD11  LEU  31          HD11      LEU  31  -2.688   2.825   5.928
  218   HD12  LEU  31          HD12      LEU  31  -1.278   1.925   6.483
  219   HD13  LEU  31          HD13      LEU  31  -1.132   3.637   6.083
  220   HD21  LEU  31          HD21      LEU  31  -2.008   5.353   7.580
  221   HD22  LEU  31          HD22      LEU  31  -2.813   4.899   9.087
  222   HD23  LEU  31          HD23      LEU  31  -3.644   4.686   7.544
  223    H    ASP  32           HN       ASP  32  -6.133   2.157   9.458
  224    HA   ASP  32           HA       ASP  32  -6.226  -0.410  10.743
  225    HB2  ASP  32           HB2      ASP  32  -6.690   1.643  11.973
  226    HB3  ASP  32           HB1      ASP  32  -8.018   2.023  10.888
  227    H    LEU  33           HN       LEU  33  -7.893   1.230   8.197
  228    HA   LEU  33           HA       LEU  33 -10.209  -0.435   8.119
  229    HB2  LEU  33           HB2      LEU  33  -9.041   1.264   5.917
  230    HB3  LEU  33           HB1      LEU  33 -10.682   0.659   6.013
  231    HG   LEU  33           HG       LEU  33  -9.430   2.786   7.740
  232   HD11  LEU  33          HD11      LEU  33 -11.099   4.232   6.698
  233   HD12  LEU  33          HD12      LEU  33 -11.624   2.886   5.690
  234   HD13  LEU  33          HD13      LEU  33  -9.991   3.534   5.516
  235   HD21  LEU  33          HD21      LEU  33 -12.221   1.642   7.854
  236   HD22  LEU  33          HD22      LEU  33 -11.639   3.035   8.766
  237   HD23  LEU  33          HD23      LEU  33 -10.965   1.433   9.074
  238    H    ARG  34           HN       ARG  34 -10.330  -2.392   7.209
  239    HA   ARG  34           HA       ARG  34  -7.874  -3.550   6.258
  240    HB2  ARG  34           HB2      ARG  34 -10.651  -4.714   6.498
  241    HB3  ARG  34           HB1      ARG  34  -9.171  -5.617   6.208
  242    HG2  ARG  34           HG2      ARG  34  -8.334  -5.029   8.393
  243    HG3  ARG  34           HG1      ARG  34  -9.730  -3.990   8.676
  244    HD2  ARG  34           HD2      ARG  34  -9.969  -6.144   9.802
  245    HD3  ARG  34           HD1      ARG  34 -11.202  -5.922   8.561
  246    HE   ARG  34           HE       ARG  34  -8.814  -7.314   7.734
  247   HH11  ARG  34          HH11      ARG  34 -12.151  -7.673   8.965
  248   HH12  ARG  34          HH12      ARG  34 -12.290  -9.300   8.521
  249   HH21  ARG  34          HH21      ARG  34  -9.038  -9.457   7.046
  250   HH22  ARG  34          HH22      ARG  34 -10.425 -10.395   7.440
  251    H    PHE  35           HN       PHE  35  -7.731  -4.637   4.194
  252    HA   PHE  35           HA       PHE  35  -8.845  -3.113   2.091
  253    HB2  PHE  35           HB2      PHE  35  -7.353  -5.734   2.027
  254    HB3  PHE  35           HB1      PHE  35  -7.883  -4.892   0.573
  255    HD1  PHE  35           HD2      PHE  35  -7.245  -2.271   0.654
  256    HD2  PHE  35           HD1      PHE  35  -5.168  -5.408   2.620
  257    HE1  PHE  35           HE2      PHE  35  -5.211  -0.892   0.693
  258    HE2  PHE  35           HE1      PHE  35  -3.135  -4.034   2.666
  259    HZ   PHE  35           HZ       PHE  35  -3.153  -1.778   1.695
  260    H    GLU  36           HN       GLU  36  -9.914  -5.799   3.798
  261    HA   GLU  36           HA       GLU  36 -11.911  -6.743   2.031
  262    HB2  GLU  36           HB2      GLU  36 -11.063  -8.030   3.946
  263    HB3  GLU  36           HB1      GLU  36 -11.700  -6.829   5.051
  264    HG2  GLU  36           HG2      GLU  36 -13.070  -8.835   4.981
  265    HG3  GLU  36           HG1      GLU  36 -13.959  -7.417   4.435
  266    H    ASP  37           HN       ASP  37 -11.657  -3.985   4.166
  267    HA   ASP  37           HA       ASP  37 -14.481  -3.465   4.271
  268    HB2  ASP  37           HB2      ASP  37 -12.109  -1.772   5.085
  269    HB3  ASP  37           HB1      ASP  37 -13.780  -1.264   5.256
  270    H    ILE  38           HN       ILE  38 -11.699  -2.352   2.480
  271    HA   ILE  38           HA       ILE  38 -13.417  -0.495   1.041
  272    HB   ILE  38           HB       ILE  38 -11.361   0.489   0.084
  273   HG12  ILE  38          HG12      ILE  38  -9.931  -1.440   1.940
  274   HG13  ILE  38          HG11      ILE  38  -9.944  -1.542   0.186
  275   HG21  ILE  38          HG21      ILE  38 -12.342   1.418   2.106
  276   HG22  ILE  38          HG22      ILE  38 -10.582   1.527   2.179
  277   HG23  ILE  38          HG23      ILE  38 -11.428   0.279   3.094
  278   HD11  ILE  38          HD11      ILE  38  -8.762   0.590   0.059
  279   HD12  ILE  38          HD12      ILE  38  -7.865  -0.591   1.018
  280   HD13  ILE  38          HD13      ILE  38  -8.767   0.696   1.820
  281    H    GLY  39           HN       GLY  39 -12.983  -3.538   0.648
  282    HA2  GLY  39           HA2      GLY  39 -13.338  -4.987  -1.088
  283    HA3  GLY  39           HA1      GLY  39 -13.835  -3.593  -2.029
  284    H    TYR  40           HN       TYR  40 -10.635  -4.456  -0.665
  285    HA   TYR  40           HA       TYR  40  -9.610  -4.187  -3.364
  286    HB2  TYR  40           HB2      TYR  40  -8.677  -3.193  -0.818
  287    HB3  TYR  40           HB1      TYR  40  -7.450  -4.119  -1.693
  288    HD1  TYR  40           HD1      TYR  40  -9.769  -1.239  -1.997
  289    HD2  TYR  40           HD2      TYR  40  -6.406  -3.287  -3.574
  290    HE1  TYR  40           HE1      TYR  40  -9.368   0.624  -3.556
  291    HE2  TYR  40           HE2      TYR  40  -5.989  -1.445  -5.120
  292    HH   TYR  40           HH       TYR  40  -7.399   0.239  -6.182
  293    H    ASP  41           HN       ASP  41  -8.798  -5.749  -4.360
  294    HA   ASP  41           HA       ASP  41  -8.546  -8.375  -3.112
  295    HB2  ASP  41           HB2      ASP  41  -9.758  -8.092  -5.290
  296    HB3  ASP  41           HB1      ASP  41  -8.218  -7.546  -5.968
  297    H    SER  42           HN       SER  42  -6.740  -9.703  -3.818
  298    HA   SER  42           HA       SER  42  -4.272  -8.804  -2.882
  299    HB2  SER  42           HB2      SER  42  -4.797 -11.164  -4.691
  300    HB3  SER  42           HB1      SER  42  -3.459 -10.971  -3.550
  301    H    LEU  43           HN       LEU  43  -5.442  -9.371  -6.215
  302    HA   LEU  43           HA       LEU  43  -2.943  -8.728  -7.398
  303    HB2  LEU  43           HB2      LEU  43  -5.698  -8.976  -8.591
  304    HB3  LEU  43           HB1      LEU  43  -4.324  -8.497  -9.556
  305    HG   LEU  43           HG       LEU  43  -3.232 -10.680  -8.977
  306   HD11  LEU  43          HD11      LEU  43  -4.426 -11.246  -6.947
  307   HD12  LEU  43          HD12      LEU  43  -4.600 -12.520  -8.155
  308   HD13  LEU  43          HD13      LEU  43  -5.930 -11.397  -7.858
  309   HD21  LEU  43          HD21      LEU  43  -5.883 -10.818 -10.393
  310   HD22  LEU  43          HD22      LEU  43  -4.582 -12.004 -10.527
  311   HD23  LEU  43          HD23      LEU  43  -4.334 -10.354 -11.101
  312    H    ALA  44           HN       ALA  44  -5.600  -6.842  -6.391
  313    HA   ALA  44           HA       ALA  44  -4.886  -4.477  -7.843
  314    HB1  ALA  44           HB1      ALA  44  -6.624  -4.778  -5.382
  315    HB2  ALA  44           HB2      ALA  44  -7.190  -4.877  -7.048
  316    HB3  ALA  44           HB3      ALA  44  -6.536  -3.360  -6.425
  317    H    LEU  45           HN       LEU  45  -4.273  -5.802  -4.649
  318    HA   LEU  45           HA       LEU  45  -2.898  -3.604  -3.544
  319    HB2  LEU  45           HB2      LEU  45  -2.543  -6.538  -2.985
  320    HB3  LEU  45           HB1      LEU  45  -1.977  -5.231  -1.968
  321    HG   LEU  45           HG       LEU  45  -4.844  -5.904  -2.554
  322   HD11  LEU  45          HD11      LEU  45  -3.779  -7.491  -1.060
  323   HD12  LEU  45          HD12      LEU  45  -4.919  -6.473  -0.174
  324   HD13  LEU  45          HD13      LEU  45  -3.187  -6.167  -0.060
  325   HD21  LEU  45          HD21      LEU  45  -3.625  -3.769  -0.831
  326   HD22  LEU  45          HD22      LEU  45  -5.344  -4.166  -0.902
  327   HD23  LEU  45          HD23      LEU  45  -4.525  -3.518  -2.328
  328    H    MET  46           HN       MET  46  -1.880  -6.374  -5.372
  329    HA   MET  46           HA       MET  46   0.894  -6.019  -5.377
  330    HB2  MET  46           HB2      MET  46  -0.956  -7.140  -7.480
  331    HB3  MET  46           HB1      MET  46   0.792  -7.256  -7.561
  332    HG2  MET  46           HG2      MET  46   0.876  -8.694  -5.656
  333    HG3  MET  46           HG1      MET  46  -0.792  -8.314  -5.254
  334    HE1  MET  46           HE1      MET  46   0.210 -10.685  -9.095
  335    HE2  MET  46           HE2      MET  46   1.456 -10.000  -8.052
  336    HE3  MET  46           HE3      MET  46   0.368  -8.935  -8.938
  337    H    GLU  47           HN       GLU  47  -1.560  -4.801  -7.626
  338    HA   GLU  47           HA       GLU  47   0.080  -3.364  -9.394
  339    HB2  GLU  47           HB2      GLU  47  -2.361  -3.972  -9.672
  340    HB3  GLU  47           HB1      GLU  47  -2.759  -2.716  -8.526
  341    HG2  GLU  47           HG2      GLU  47  -1.417  -2.205 -11.183
  342    HG3  GLU  47           HG1      GLU  47  -3.156  -2.184 -10.947
  343    H    THR  48           HN       THR  48  -1.521  -2.430  -6.428
  344    HA   THR  48           HA       THR  48  -0.827   0.263  -6.266
  345    HB   THR  48           HB       THR  48  -1.270  -1.741  -4.028
  346    HG1  THR  48           HG1      THR  48  -3.062  -1.634  -5.493
  347   HG21  THR  48          HG21      THR  48  -0.299   0.385  -3.225
  348   HG22  THR  48          HG22      THR  48  -1.973   0.203  -2.701
  349   HG23  THR  48          HG23      THR  48  -1.585   1.279  -4.044
  350    H    ALA  49           HN       ALA  49   0.775  -2.567  -4.749
  351    HA   ALA  49           HA       ALA  49   2.903  -1.118  -3.635
  352    HB1  ALA  49           HB1      ALA  49   2.252  -3.349  -2.847
  353    HB2  ALA  49           HB2      ALA  49   3.964  -3.264  -3.237
  354    HB3  ALA  49           HB3      ALA  49   2.843  -4.044  -4.357
  355    H    ALA  50           HN       ALA  50   2.614  -2.739  -6.771
  356    HA   ALA  50           HA       ALA  50   5.254  -2.596  -7.619
  357    HB1  ALA  50           HB1      ALA  50   3.486  -3.812  -8.825
  358    HB2  ALA  50           HB2      ALA  50   4.401  -2.753  -9.896
  359    HB3  ALA  50           HB3      ALA  50   2.794  -2.275  -9.344
  360    H    ARG  51           HN       ARG  51   2.763  -0.118  -7.762
  361    HA   ARG  51           HA       ARG  51   4.160   1.802  -9.239
  362    HB2  ARG  51           HB2      ARG  51   1.883   2.113  -9.111
  363    HB3  ARG  51           HB1      ARG  51   1.819   1.727  -7.407
  364    HG2  ARG  51           HG2      ARG  51   2.594   3.885  -6.811
  365    HG3  ARG  51           HG1      ARG  51   2.990   4.259  -8.496
  366    HD2  ARG  51           HD2      ARG  51   0.831   5.289  -7.645
  367    HD3  ARG  51           HD1      ARG  51   0.685   4.337  -9.114
  368    HE   ARG  51           HE       ARG  51  -0.351   3.619  -6.454
  369   HH11  ARG  51          HH11      ARG  51  -0.056   2.890  -9.915
  370   HH12  ARG  51          HH12      ARG  51  -1.158   1.592  -9.869
  371   HH21  ARG  51          HH21      ARG  51  -2.018   1.892  -6.468
  372   HH22  ARG  51          HH22      ARG  51  -2.267   1.062  -7.951
  373    H    LEU  52           HN       LEU  52   4.193   0.914  -5.907
  374    HA   LEU  52           HA       LEU  52   5.601   3.255  -5.023
  375    HB2  LEU  52           HB2      LEU  52   5.053   0.640  -3.633
  376    HB3  LEU  52           HB1      LEU  52   5.701   2.082  -2.869
  377    HG   LEU  52           HG       LEU  52   2.969   1.867  -4.133
  378   HD11  LEU  52          HD11      LEU  52   3.110   0.523  -2.119
  379   HD12  LEU  52          HD12      LEU  52   2.118   1.956  -1.850
  380   HD13  LEU  52          HD13      LEU  52   3.770   1.900  -1.231
  381   HD21  LEU  52          HD21      LEU  52   3.893   4.123  -4.238
  382   HD22  LEU  52          HD22      LEU  52   4.232   4.070  -2.508
  383   HD23  LEU  52          HD23      LEU  52   2.566   4.037  -3.079
  384    H    GLU  53           HN       GLU  53   6.337  -0.081  -5.836
  385    HA   GLU  53           HA       GLU  53   8.976  -0.328  -5.037
  386    HB2  GLU  53           HB2      GLU  53   7.697  -1.386  -7.548
  387    HB3  GLU  53           HB1      GLU  53   9.246  -1.906  -6.914
  388    HG2  GLU  53           HG2      GLU  53   8.097  -2.731  -4.903
  389    HG3  GLU  53           HG1      GLU  53   6.555  -2.275  -5.640
  390    H    SER  54           HN       SER  54   7.842   0.579  -8.265
  391    HA   SER  54           HA       SER  54  10.349   1.249  -9.295
  392    HB2  SER  54           HB2      SER  54   7.635   2.210 -10.184
  393    HB3  SER  54           HB1      SER  54   9.102   2.093 -11.166
  394    HG   SER  54           HG       SER  54   7.549   0.337 -11.346
  395    H    ARG  55           HN       ARG  55   8.148   3.051  -7.328
  396    HA   ARG  55           HA       ARG  55   9.131   5.609  -8.201
  397    HB2  ARG  55           HB2      ARG  55   6.783   5.412  -7.585
  398    HB3  ARG  55           HB1      ARG  55   7.232   4.932  -5.955
  399    HG2  ARG  55           HG2      ARG  55   8.207   7.100  -5.544
  400    HG3  ARG  55           HG1      ARG  55   7.879   7.591  -7.204
  401    HD2  ARG  55           HD2      ARG  55   5.494   7.425  -6.800
  402    HD3  ARG  55           HD1      ARG  55   5.791   6.849  -5.157
  403    HE   ARG  55           HE       ARG  55   7.097   9.090  -5.043
  404   HH11  ARG  55          HH11      ARG  55   3.896   8.570  -6.524
  405   HH12  ARG  55          HH12      ARG  55   3.381  10.171  -6.274
  406   HH21  ARG  55          HH21      ARG  55   6.374  11.260  -4.706
  407   HH22  ARG  55          HH22      ARG  55   4.832  11.764  -5.223
  408    H    TYR  56           HN       TYR  56   9.452   3.631  -5.280
  409    HA   TYR  56           HA       TYR  56  11.259   5.658  -4.241
  410    HB2  TYR  56           HB2      TYR  56   9.956   3.300  -2.885
  411    HB3  TYR  56           HB1      TYR  56  11.086   4.397  -2.092
  412    HD1  TYR  56           HD1      TYR  56  10.445   6.726  -1.627
  413    HD2  TYR  56           HD2      TYR  56   7.712   4.009  -3.413
  414    HE1  TYR  56           HE1      TYR  56   8.593   8.229  -1.067
  415    HE2  TYR  56           HE2      TYR  56   5.849   5.510  -2.862
  416    HH   TYR  56           HH       TYR  56   6.356   8.710  -1.763
  417    H    GLY  57           HN       GLY  57  11.426   2.740  -5.871
  418    HA2  GLY  57           HA2      GLY  57  13.379   1.849  -6.733
  419    HA3  GLY  57           HA1      GLY  57  14.301   2.795  -5.574
  420    H    VAL  58           HN       VAL  58  11.905   0.189  -5.578
  421    HA   VAL  58           HA       VAL  58  13.656  -1.423  -3.976
  422    HB   VAL  58           HB       VAL  58  12.311  -0.003  -2.368
  423   HG11  VAL  58          HG11      VAL  58   9.948  -0.495  -1.992
  424   HG12  VAL  58          HG12      VAL  58   9.941  -1.480  -3.454
  425   HG13  VAL  58          HG13      VAL  58  10.267   0.249  -3.560
  426   HG21  VAL  58          HG21      VAL  58  13.205  -2.107  -1.602
  427   HG22  VAL  58          HG22      VAL  58  11.794  -2.967  -2.222
  428   HG23  VAL  58          HG23      VAL  58  11.619  -1.834  -0.881
  429    H    SER  59           HN       SER  59  12.602  -3.707  -3.824
  430    HA   SER  59           HA       SER  59  10.533  -4.087  -5.796
  431    HB2  SER  59           HB2      SER  59  11.937  -6.111  -6.617
  432    HB3  SER  59           HB1      SER  59  12.359  -4.503  -7.198
  433    HG   SER  59           HG       SER  59  13.666  -6.164  -5.374
  434    H    ILE  60           HN       ILE  60   9.029  -5.324  -5.058
  435    HA   ILE  60           HA       ILE  60   9.619  -7.182  -2.861
  436    HB   ILE  60           HB       ILE  60   7.221  -5.320  -3.073
  437   HG12  ILE  60          HG12      ILE  60   9.453  -5.433  -1.022
  438   HG13  ILE  60          HG11      ILE  60   9.268  -4.208  -2.267
  439   HG21  ILE  60          HG21      ILE  60   7.813  -7.426  -0.988
  440   HG22  ILE  60          HG22      ILE  60   6.533  -7.493  -2.200
  441   HG23  ILE  60          HG23      ILE  60   6.483  -6.268  -0.929
  442   HD11  ILE  60          HD11      ILE  60   8.545  -3.393  -0.097
  443   HD12  ILE  60          HD12      ILE  60   7.375  -4.708   0.019
  444   HD13  ILE  60          HD13      ILE  60   7.184  -3.469  -1.219
  445    HA   PRO  61           HA       PRO  61   7.965 -10.177  -5.730
  446    HB2  PRO  61           HB2      PRO  61   7.212 -11.427  -3.117
  447    HB3  PRO  61           HB1      PRO  61   7.963 -12.164  -4.541
  448    HG2  PRO  61           HG2      PRO  61   9.450 -11.545  -2.444
  449    HG3  PRO  61           HG1      PRO  61  10.045 -11.241  -4.086
  450    HD2  PRO  61           HD2      PRO  61   9.011  -9.312  -2.058
  451    HD3  PRO  61           HD1      PRO  61  10.276  -9.098  -3.285
  452    H    ASP  62           HN       ASP  62   6.095 -10.640  -6.582
  453    HA   ASP  62           HA       ASP  62   3.931  -8.929  -6.348
  454    HB2  ASP  62           HB2      ASP  62   3.916 -11.715  -7.522
  455    HB3  ASP  62           HB1      ASP  62   2.739 -10.458  -7.848
  456    H    ASP  63           HN       ASP  63   4.145 -12.292  -5.298
  457    HA   ASP  63           HA       ASP  63   1.584 -12.704  -4.321
  458    HB2  ASP  63           HB2      ASP  63   3.243 -14.473  -4.628
  459    HB3  ASP  63           HB1      ASP  63   4.183 -13.843  -3.285
  460    H    VAL  64           HN       VAL  64   4.364 -11.434  -2.665
  461    HA   VAL  64           HA       VAL  64   3.513 -11.314   0.001
  462    HB   VAL  64           HB       VAL  64   5.290  -9.439  -1.510
  463   HG11  VAL  64          HG11      VAL  64   4.669  -8.521   0.695
  464   HG12  VAL  64          HG12      VAL  64   6.364  -8.995   0.716
  465   HG13  VAL  64          HG13      VAL  64   5.150 -10.027   1.477
  466   HG21  VAL  64          HG21      VAL  64   5.974 -11.964  -0.005
  467   HG22  VAL  64          HG22      VAL  64   7.155 -10.843  -0.679
  468   HG23  VAL  64          HG23      VAL  64   6.057 -11.713  -1.749
  469    H    ALA  65           HN       ALA  65   3.206  -8.959  -2.605
  470    HA   ALA  65           HA       ALA  65   2.203  -6.817  -1.100
  471    HB1  ALA  65           HB1      ALA  65   1.728  -7.447  -3.997
  472    HB2  ALA  65           HB2      ALA  65   3.130  -6.590  -3.344
  473    HB3  ALA  65           HB3      ALA  65   1.517  -5.876  -3.220
  474    H    GLY  66           HN       GLY  66   0.637  -9.665  -2.305
  475    HA2  GLY  66           HA2      GLY  66  -2.008  -8.504  -1.879
  476    HA3  GLY  66           HA1      GLY  66  -1.663 -10.078  -2.578
  477    H    ARG  67           HN       ARG  67   0.247  -9.784   0.097
  478    HA   ARG  67           HA       ARG  67  -1.537 -11.563   1.603
  479    HB2  ARG  67           HB2      ARG  67   1.363 -10.842   2.093
  480    HB3  ARG  67           HB1      ARG  67   0.452 -12.007   3.035
  481    HG2  ARG  67           HG2      ARG  67   0.988 -12.272   0.083
  482    HG3  ARG  67           HG1      ARG  67   1.986 -12.994   1.341
  483    HD2  ARG  67           HD2      ARG  67   0.165 -14.383   2.065
  484    HD3  ARG  67           HD1      ARG  67  -0.980 -13.569   1.004
  485    HE   ARG  67           HE       ARG  67   1.180 -14.617  -0.470
  486   HH11  ARG  67          HH11      ARG  67  -1.601 -15.819   1.371
  487   HH12  ARG  67          HH12      ARG  67  -2.008 -17.016   0.230
  488   HH21  ARG  67          HH21      ARG  67   0.644 -16.223  -1.992
  489   HH22  ARG  67          HH22      ARG  67  -0.700 -17.256  -1.758
  490    H    VAL  68           HN       VAL  68  -1.047  -8.376   1.503
  491    HA   VAL  68           HA       VAL  68  -1.222  -7.970   4.347
  492    HB   VAL  68           HB       VAL  68  -1.186  -5.519   3.790
  493   HG11  VAL  68          HG11      VAL  68   0.851  -6.735   4.291
  494   HG12  VAL  68          HG12      VAL  68   1.154  -5.512   3.056
  495   HG13  VAL  68          HG13      VAL  68   1.006  -7.208   2.598
  496   HG21  VAL  68          HG21      VAL  68  -2.168  -5.603   1.535
  497   HG22  VAL  68          HG22      VAL  68  -0.763  -6.516   0.972
  498   HG23  VAL  68          HG23      VAL  68  -0.565  -4.854   1.507
  499    H    ASP  69           HN       ASP  69  -2.992  -7.912   5.420
  500    HA   ASP  69           HA       ASP  69  -5.592  -7.875   4.123
  501    HB2  ASP  69           HB2      ASP  69  -5.126  -9.445   5.981
  502    HB3  ASP  69           HB1      ASP  69  -4.765  -8.088   7.033
  503    H    THR  70           HN       THR  70  -3.541  -5.914   6.123
  504    HA   THR  70           HA       THR  70  -5.447  -3.699   5.980
  505    HB   THR  70           HB       THR  70  -4.272  -2.916   8.100
  506    HG1  THR  70           HG1      THR  70  -3.224  -4.627   9.258
  507   HG21  THR  70          HG21      THR  70  -5.549  -4.438   9.566
  508   HG22  THR  70          HG22      THR  70  -5.752  -5.553   8.213
  509   HG23  THR  70          HG23      THR  70  -6.501  -3.959   8.157
  510    HA   PRO  71           HA       PRO  71  -2.324  -1.487   3.681
  511    HB2  PRO  71           HB2      PRO  71  -3.274   0.926   5.123
  512    HB3  PRO  71           HB1      PRO  71  -3.215   0.608   3.385
  513    HG2  PRO  71           HG2      PRO  71  -5.536   0.593   4.668
  514    HG3  PRO  71           HG1      PRO  71  -5.192  -0.613   3.411
  515    HD2  PRO  71           HD2      PRO  71  -5.079  -0.904   6.389
  516    HD3  PRO  71           HD1      PRO  71  -5.765  -2.008   5.179
  517    H    ARG  72           HN       ARG  72  -2.600  -1.297   7.083
  518    HA   ARG  72           HA       ARG  72  -0.384   0.208   7.857
  519    HB2  ARG  72           HB2      ARG  72  -2.144  -0.689   9.369
  520    HB3  ARG  72           HB1      ARG  72  -1.472  -2.296   9.149
  521    HG2  ARG  72           HG2      ARG  72   0.634  -1.517  10.172
  522    HG3  ARG  72           HG1      ARG  72  -0.121   0.053  10.454
  523    HD2  ARG  72           HD2      ARG  72  -1.029  -2.596  11.571
  524    HD3  ARG  72           HD1      ARG  72  -0.224  -1.307  12.462
  525    HE   ARG  72           HE       ARG  72  -2.333   0.001  11.605
  526   HH11  ARG  72          HH11      ARG  72  -2.178  -3.245  13.034
  527   HH12  ARG  72          HH12      ARG  72  -3.771  -3.209  13.640
  528   HH21  ARG  72          HH21      ARG  72  -4.473   0.042  12.419
  529   HH22  ARG  72          HH22      ARG  72  -5.125  -1.325  13.244
  530    H    GLU  73           HN       GLU  73  -0.682  -3.181   6.935
  531    HA   GLU  73           HA       GLU  73   2.053  -3.838   7.418
  532    HB2  GLU  73           HB2      GLU  73  -0.094  -5.257   5.859
  533    HB3  GLU  73           HB1      GLU  73   1.480  -5.941   6.208
  534    HG2  GLU  73           HG2      GLU  73  -0.632  -5.176   8.202
  535    HG3  GLU  73           HG1      GLU  73  -0.199  -6.805   7.695
  536    H    LEU  74           HN       LEU  74   0.131  -2.961   4.596
  537    HA   LEU  74           HA       LEU  74   2.038  -3.453   2.553
  538    HB2  LEU  74           HB2      LEU  74  -0.533  -2.792   2.487
  539    HB3  LEU  74           HB1      LEU  74   0.081  -1.158   2.429
  540    HG   LEU  74           HG       LEU  74   0.478  -3.329   0.348
  541   HD11  LEU  74          HD11      LEU  74  -1.077  -0.778   0.264
  542   HD12  LEU  74          HD12      LEU  74  -1.722  -2.419   0.328
  543   HD13  LEU  74          HD13      LEU  74  -0.824  -1.877  -1.090
  544   HD21  LEU  74          HD21      LEU  74   1.578  -1.625  -1.037
  545   HD22  LEU  74          HD22      LEU  74   2.490  -1.916   0.445
  546   HD23  LEU  74          HD23      LEU  74   1.483  -0.474   0.297
  547    H    LEU  75           HN       LEU  75   1.274  -0.570   4.444
  548    HA   LEU  75           HA       LEU  75   3.134   1.277   3.486
  549    HB2  LEU  75           HB2      LEU  75   1.247   1.687   5.059
  550    HB3  LEU  75           HB1      LEU  75   2.139   0.855   6.309
  551    HG   LEU  75           HG       LEU  75   3.891   2.685   6.124
  552   HD11  LEU  75          HD11      LEU  75   1.743   4.000   4.492
  553   HD12  LEU  75          HD12      LEU  75   3.314   3.465   3.900
  554   HD13  LEU  75          HD13      LEU  75   3.214   4.765   5.089
  555   HD21  LEU  75          HD21      LEU  75   2.227   2.609   7.910
  556   HD22  LEU  75          HD22      LEU  75   1.084   3.472   6.881
  557   HD23  LEU  75          HD23      LEU  75   2.564   4.269   7.418
  558    H    ASP  76           HN       ASP  76   3.317  -1.000   6.163
  559    HA   ASP  76           HA       ASP  76   5.931  -0.481   7.025
  560    HB2  ASP  76           HB2      ASP  76   4.327  -1.627   8.432
  561    HB3  ASP  76           HB1      ASP  76   4.265  -2.979   7.309
  562    H    LEU  77           HN       LEU  77   4.716  -2.736   4.602
  563    HA   LEU  77           HA       LEU  77   7.008  -4.258   4.127
  564    HB2  LEU  77           HB2      LEU  77   4.888  -3.306   2.208
  565    HB3  LEU  77           HB1      LEU  77   6.142  -4.418   1.733
  566    HG   LEU  77           HG       LEU  77   3.992  -4.927   3.784
  567   HD11  LEU  77          HD11      LEU  77   3.178  -4.847   1.486
  568   HD12  LEU  77          HD12      LEU  77   3.146  -6.493   2.113
  569   HD13  LEU  77          HD13      LEU  77   4.421  -5.999   0.996
  570   HD21  LEU  77          HD21      LEU  77   6.136  -6.752   2.689
  571   HD22  LEU  77          HD22      LEU  77   4.829  -7.227   3.774
  572   HD23  LEU  77          HD23      LEU  77   6.072  -6.108   4.329
  573    H    ILE  78           HN       ILE  78   5.949  -1.296   2.527
  574    HA   ILE  78           HA       ILE  78   8.233  -1.023   0.886
  575    HB   ILE  78           HB       ILE  78   6.405   1.206   1.832
  576   HG12  ILE  78          HG12      ILE  78   5.089  -0.632   0.836
  577   HG13  ILE  78          HG11      ILE  78   5.069   0.797  -0.185
  578   HG21  ILE  78          HG21      ILE  78   8.157   0.950  -0.619
  579   HG22  ILE  78          HG22      ILE  78   8.458   1.989   0.774
  580   HG23  ILE  78          HG23      ILE  78   7.072   2.299  -0.273
  581   HD11  ILE  78          HD11      ILE  78   6.737  -1.679  -0.615
  582   HD12  ILE  78          HD12      ILE  78   6.737  -0.250  -1.649
  583   HD13  ILE  78          HD13      ILE  78   5.280  -1.232  -1.504
  584    H    ASN  79           HN       ASN  79   7.279   0.599   3.908
  585    HA   ASN  79           HA       ASN  79   9.519   2.205   4.322
  586    HB2  ASN  79           HB2      ASN  79   7.822   0.788   6.392
  587    HB3  ASN  79           HB1      ASN  79   9.053   1.966   6.795
  588   HD21  ASN  79          HD21      ASN  79   8.372   3.726   4.544
  589   HD22  ASN  79          HD22      ASN  79   6.856   4.453   4.983
  590    H    GLY  80           HN       GLY  80   8.974  -1.091   5.522
  591    HA2  GLY  80           HA2      GLY  80  11.420  -1.403   6.824
  592    HA3  GLY  80           HA1      GLY  80  10.370  -2.697   6.274
  593    H    ALA  81           HN       ALA  81  10.445  -2.433   3.553
  594    HA   ALA  81           HA       ALA  81  12.885  -3.679   2.970
  595    HB1  ALA  81           HB1      ALA  81  12.164  -3.665   0.651
  596    HB2  ALA  81           HB2      ALA  81  10.925  -2.467   1.026
  597    HB3  ALA  81           HB3      ALA  81  10.819  -4.089   1.709
  598    H    LEU  82           HN       LEU  82  11.851  -0.341   2.529
  599    HA   LEU  82           HA       LEU  82  14.174   0.460   1.082
  600    HB2  LEU  82           HB2      LEU  82  12.216   2.079   2.709
  601    HB3  LEU  82           HB1      LEU  82  13.505   2.773   1.746
  602    HG   LEU  82           HG       LEU  82  11.231   1.131   0.633
  603   HD11  LEU  82          HD11      LEU  82  10.444   3.240   1.554
  604   HD12  LEU  82          HD12      LEU  82  10.392   3.269  -0.210
  605   HD13  LEU  82          HD13      LEU  82  11.683   4.110   0.653
  606   HD21  LEU  82          HD21      LEU  82  12.030   1.977  -1.523
  607   HD22  LEU  82          HD22      LEU  82  13.278   1.033  -0.708
  608   HD23  LEU  82          HD23      LEU  82  13.362   2.795  -0.709
  609    H    ALA  83           HN       ALA  83  13.271   0.533   4.498
  610    HA   ALA  83           HA       ALA  83  15.630   1.875   5.369
  611    HB1  ALA  83           HB1      ALA  83  14.832   1.382   7.609
  612    HB2  ALA  83           HB2      ALA  83  13.640   0.261   6.952
  613    HB3  ALA  83           HB3      ALA  83  13.519   1.984   6.598
  614    H    GLU  84           HN       GLU  84  14.848  -1.389   4.716
  615    HA   GLU  84           HA       GLU  84  16.798  -2.651   6.314
  616    HB2  GLU  84           HB2      GLU  84  14.866  -3.776   5.257
  617    HB3  GLU  84           HB1      GLU  84  15.635  -3.567   3.692
  618    HG2  GLU  84           HG2      GLU  84  17.465  -4.986   4.376
  619    HG3  GLU  84           HG1      GLU  84  16.756  -5.145   5.985
  620    H    ALA  85           HN       ALA  85  16.867  -1.148   3.195
  621    HA   ALA  85           HA       ALA  85  19.669  -1.911   2.826
  622    HB1  ALA  85           HB1      ALA  85  17.744  -0.580   0.914
  623    HB2  ALA  85           HB2      ALA  85  18.170  -2.293   0.926
  624    HB3  ALA  85           HB3      ALA  85  19.392  -1.084   0.539
  625    H    ALA  86           HN       ALA  86  18.305   0.224   4.622
  626    HA   ALA  86           HA       ALA  86  20.159   2.349   3.927
  627    HB1  ALA  86           HB1      ALA  86  18.468   4.029   4.501
  628    HB2  ALA  86           HB2      ALA  86  17.276   2.752   4.736
  629    HB3  ALA  86           HB3      ALA  86  17.948   3.046   3.132
  630   H282  PNS  87          H28A      PNS  87  -6.513 -12.874  -4.323
  631   H281  PNS  87          H28B      PNS  87  -5.753 -14.466  -4.302
  632   H303  PNS  87          H30A      PNS  87  -8.504 -13.398  -2.303
  633   H302  PNS  87          H30B      PNS  87  -9.809 -13.974  -3.375
  634   H301  PNS  87          H30C      PNS  87  -8.730 -12.645  -3.875
  635   H313  PNS  87          H31A      PNS  87  -9.135 -15.257  -5.452
  636   H312  PNS  87          H31B      PNS  87  -7.422 -15.378  -5.844
  637   H311  PNS  87          H31C      PNS  87  -8.230 -13.812  -5.903
  638    H32  PNS  87          H32A      PNS  87  -7.469 -15.777  -2.137
  639    H33  PNS  87          H33A      PNS  87  -7.480 -17.505  -4.125
  640    H36  PNS  87          H36A      PNS  87  -9.874 -15.381  -1.858
  641   H372  PNS  87          H37A      PNS  87 -11.966 -16.478  -3.235
  642   H371  PNS  87          H37B      PNS  87 -11.405 -17.758  -2.152
  643   H382  PNS  87          H38A      PNS  87 -11.714 -16.282  -0.236
  644   H381  PNS  87          H38B      PNS  87 -12.114 -14.956  -1.303
  645    H41  PNS  87          H41A      PNS  87 -13.758 -15.305   0.578
  646   H422  PNS  87          H42A      PNS  87 -16.295 -15.770  -0.582
  647   H421  PNS  87          H42B      PNS  87 -15.854 -17.093   0.492
  648   H431  PNS  87          H43A      PNS  87 -17.103 -15.504   1.760
  649   H432  PNS  87          H43B      PNS  87 -16.063 -14.204   1.202
  650    H44  PNS  87           H1       PNS  87 -13.796 -15.060   2.521
  Start of MODEL   10
    1    H1   MET   1           HT1      MET   1  20.877   5.870   4.670
    2    H2   MET   1           HT2      MET   1  20.594   5.278   3.104
    3    H3   MET   1           HT3      MET   1  19.513   4.908   4.324
    4    HA   MET   1           HA       MET   1  18.898   7.249   4.454
    5    HB2  MET   1           HB2      MET   1  20.677   7.418   1.999
    6    HB3  MET   1           HB1      MET   1  19.596   8.685   2.549
    7    HG2  MET   1           HG2      MET   1  20.914   8.932   4.579
    8    HG3  MET   1           HG1      MET   1  21.980   7.631   4.053
    9    HE1  MET   1           HE1      MET   1  23.085  10.478   4.925
   10    HE2  MET   1           HE2      MET   1  24.284  10.759   3.659
   11    HE3  MET   1           HE3      MET   1  24.102   9.152   4.360
   12    H    ALA   2           HN       ALA   2  16.855   6.952   3.898
   13    HA   ALA   2           HA       ALA   2  16.169   6.262   1.183
   14    HB1  ALA   2           HB1      ALA   2  15.293   4.587   3.541
   15    HB2  ALA   2           HB2      ALA   2  16.375   4.068   2.251
   16    HB3  ALA   2           HB3      ALA   2  14.688   4.435   1.891
   17    H    THR   3           HN       THR   3  13.930   6.728   0.796
   18    HA   THR   3           HA       THR   3  12.905   8.587   2.790
   19    HB   THR   3           HB       THR   3  13.384   9.782   0.775
   20    HG1  THR   3           HG1      THR   3  11.168   9.985   1.839
   21   HG21  THR   3          HG21      THR   3  11.727   7.756  -0.740
   22   HG22  THR   3          HG22      THR   3  13.477   7.950  -0.834
   23   HG23  THR   3          HG23      THR   3  12.415   9.227  -1.429
   24    H    LEU   4           HN       LEU   4  11.512   7.695   3.973
   25    HA   LEU   4           HA       LEU   4   9.853   5.451   3.133
   26    HB2  LEU   4           HB2      LEU   4   9.917   6.958   5.742
   27    HB3  LEU   4           HB1      LEU   4   9.174   5.399   5.440
   28    HG   LEU   4           HG       LEU   4  12.131   6.003   5.434
   29   HD11  LEU   4          HD11      LEU   4  10.452   4.366   7.305
   30   HD12  LEU   4          HD12      LEU   4  11.197   5.928   7.653
   31   HD13  LEU   4          HD13      LEU   4  12.207   4.514   7.354
   32   HD21  LEU   4          HD21      LEU   4  11.621   4.328   3.752
   33   HD22  LEU   4          HD22      LEU   4  10.705   3.396   4.934
   34   HD23  LEU   4          HD23      LEU   4  12.448   3.591   5.124
   35    H    LEU   5           HN       LEU   5   7.876   5.662   2.407
   36    HA   LEU   5           HA       LEU   5   6.889   8.313   2.019
   37    HB2  LEU   5           HB2      LEU   5   5.174   7.275   0.612
   38    HB3  LEU   5           HB1      LEU   5   6.785   6.703   0.236
   39    HG   LEU   5           HG       LEU   5   6.083   4.688   1.769
   40   HD11  LEU   5          HD11      LEU   5   3.942   5.597   2.438
   41   HD12  LEU   5          HD12      LEU   5   3.736   4.113   1.509
   42   HD13  LEU   5          HD13      LEU   5   3.431   5.676   0.752
   43   HD21  LEU   5          HD21      LEU   5   5.343   3.509  -0.235
   44   HD22  LEU   5          HD22      LEU   5   6.744   4.532  -0.554
   45   HD23  LEU   5          HD23      LEU   5   5.136   5.051  -1.065
   46    H    THR   6           HN       THR   6   4.858   9.141   2.736
   47    HA   THR   6           HA       THR   6   4.450   8.197   5.443
   48    HB   THR   6           HB       THR   6   3.403  10.378   5.873
   49    HG1  THR   6           HG1      THR   6   3.934  10.846   3.094
   50   HG21  THR   6          HG21      THR   6   5.828  10.167   6.117
   51   HG22  THR   6          HG22      THR   6   5.397  11.779   5.546
   52   HG23  THR   6          HG23      THR   6   6.044  10.589   4.419
   53    H    THR   7           HN       THR   7   1.989   9.135   6.123
   54    HA   THR   7           HA       THR   7   0.237   7.114   5.427
   55    HB   THR   7           HB       THR   7  -0.401   9.888   6.472
   56    HG1  THR   7           HG1      THR   7   0.285   9.217   8.380
   57   HG21  THR   7          HG21      THR   7  -2.381   8.560   5.850
   58   HG22  THR   7          HG22      THR   7  -2.271   8.758   7.602
   59   HG23  THR   7          HG23      THR   7  -1.801   7.232   6.852
   60    H    ASP   8           HN       ASP   8   0.227  10.554   4.420
   61    HA   ASP   8           HA       ASP   8  -1.943  10.255   2.623
   62    HB2  ASP   8           HB2      ASP   8  -1.332  12.433   3.604
   63    HB3  ASP   8           HB1      ASP   8   0.157  12.431   2.670
   64    H    ASP   9           HN       ASP   9   1.487   9.817   2.245
   65    HA   ASP   9           HA       ASP   9   1.591   9.766  -0.586
   66    HB2  ASP   9           HB2      ASP   9   3.289   8.343   1.468
   67    HB3  ASP   9           HB1      ASP   9   3.528   8.103  -0.252
   68    H    LEU  10           HN       LEU  10   1.208   7.149   1.774
   69    HA   LEU  10           HA       LEU  10   0.738   5.080  -0.074
   70    HB2  LEU  10           HB2      LEU  10   1.288   4.705   2.304
   71    HB3  LEU  10           HB1      LEU  10  -0.265   5.365   2.767
   72    HG   LEU  10           HG       LEU  10  -1.368   3.485   1.567
   73   HD11  LEU  10          HD11      LEU  10  -0.037   1.529   0.962
   74   HD12  LEU  10          HD12      LEU  10   1.439   2.424   1.322
   75   HD13  LEU  10          HD13      LEU  10   0.394   2.940  -0.004
   76   HD21  LEU  10          HD21      LEU  10  -0.854   1.796   3.266
   77   HD22  LEU  10          HD22      LEU  10  -1.026   3.403   3.972
   78   HD23  LEU  10          HD23      LEU  10   0.577   2.714   3.739
   79    H    ARG  11           HN       ARG  11  -1.378   7.255   1.641
   80    HA   ARG  11           HA       ARG  11  -3.906   6.440   0.946
   81    HB2  ARG  11           HB2      ARG  11  -3.498   8.241   2.503
   82    HB3  ARG  11           HB1      ARG  11  -2.767   9.222   1.249
   83    HG2  ARG  11           HG2      ARG  11  -4.985   9.327   0.135
   84    HG3  ARG  11           HG1      ARG  11  -5.664   8.473   1.524
   85    HD2  ARG  11           HD2      ARG  11  -4.162  11.087   1.679
   86    HD3  ARG  11           HD1      ARG  11  -5.914  10.950   1.633
   87    HE   ARG  11           HE       ARG  11  -5.347   9.436   3.735
   88   HH11  ARG  11          HH11      ARG  11  -3.958  12.607   2.897
   89   HH12  ARG  11          HH12      ARG  11  -3.958  13.177   4.497
   90   HH21  ARG  11          HH21      ARG  11  -5.225  10.226   5.992
   91   HH22  ARG  11          HH22      ARG  11  -4.701  11.807   6.272
   92    H    ARG  12           HN       ARG  12  -1.920   8.820  -0.856
   93    HA   ARG  12           HA       ARG  12  -3.780   8.984  -2.989
   94    HB2  ARG  12           HB2      ARG  12  -0.876   9.818  -2.915
   95    HB3  ARG  12           HB1      ARG  12  -2.015  10.243  -4.184
   96    HG2  ARG  12           HG2      ARG  12  -3.384  11.440  -2.532
   97    HG3  ARG  12           HG1      ARG  12  -2.196  11.045  -1.290
   98    HD2  ARG  12           HD2      ARG  12  -0.486  12.253  -2.588
   99    HD3  ARG  12           HD1      ARG  12  -1.716  12.690  -3.773
  100    HE   ARG  12           HE       ARG  12  -1.879  13.462  -0.949
  101   HH11  ARG  12          HH11      ARG  12  -1.931  14.361  -4.395
  102   HH12  ARG  12          HH12      ARG  12  -2.389  15.972  -4.115
  103   HH21  ARG  12          HH21      ARG  12  -2.611  15.694  -0.597
  104   HH22  ARG  12          HH22      ARG  12  -2.802  16.734  -1.937
  105    H    ALA  13           HN       ALA  13  -0.835   7.108  -2.509
  106    HA   ALA  13           HA       ALA  13  -0.549   6.169  -5.144
  107    HB1  ALA  13           HB1      ALA  13   1.228   6.050  -3.462
  108    HB2  ALA  13           HB2      ALA  13   0.928   4.485  -4.220
  109    HB3  ALA  13           HB3      ALA  13   0.315   4.812  -2.599
  110    H    LEU  14           HN       LEU  14  -2.496   5.003  -2.492
  111    HA   LEU  14           HA       LEU  14  -3.196   2.557  -3.794
  112    HB2  LEU  14           HB2      LEU  14  -3.142   2.817  -1.416
  113    HB3  LEU  14           HB1      LEU  14  -4.456   3.984  -1.438
  114    HG   LEU  14           HG       LEU  14  -5.924   2.125  -2.349
  115   HD11  LEU  14          HD11      LEU  14  -4.165   0.694  -3.217
  116   HD12  LEU  14          HD12      LEU  14  -5.156  -0.170  -2.042
  117   HD13  LEU  14          HD13      LEU  14  -3.560   0.426  -1.582
  118   HD21  LEU  14          HD21      LEU  14  -6.212   1.025  -0.180
  119   HD22  LEU  14          HD22      LEU  14  -5.996   2.764   0.003
  120   HD23  LEU  14          HD23      LEU  14  -4.657   1.671   0.350
  121    H    VAL  15           HN       VAL  15  -4.621   5.759  -3.466
  122    HA   VAL  15           HA       VAL  15  -7.080   5.242  -4.739
  123    HB   VAL  15           HB       VAL  15  -5.492   7.840  -4.592
  124   HG11  VAL  15          HG11      VAL  15  -7.598   8.980  -5.117
  125   HG12  VAL  15          HG12      VAL  15  -8.386   7.420  -5.352
  126   HG13  VAL  15          HG13      VAL  15  -7.093   7.931  -6.439
  127   HG21  VAL  15          HG21      VAL  15  -7.821   6.836  -2.961
  128   HG22  VAL  15          HG22      VAL  15  -7.061   8.422  -2.805
  129   HG23  VAL  15          HG23      VAL  15  -6.148   6.964  -2.420
  130    H    GLU  16           HN       GLU  16  -3.916   6.090  -5.979
  131    HA   GLU  16           HA       GLU  16  -4.417   6.458  -8.686
  132    HB2  GLU  16           HB2      GLU  16  -2.058   5.136  -7.343
  133    HB3  GLU  16           HB1      GLU  16  -2.097   5.576  -9.039
  134    HG2  GLU  16           HG2      GLU  16  -2.376   7.518  -6.758
  135    HG3  GLU  16           HG1      GLU  16  -0.875   7.173  -7.612
  136    H    SER  17           HN       SER  17  -4.231   3.449  -6.852
  137    HA   SER  17           HA       SER  17  -4.220   1.752  -9.159
  138    HB2  SER  17           HB2      SER  17  -4.801   1.089  -6.268
  139    HB3  SER  17           HB1      SER  17  -4.413  -0.063  -7.547
  140    HG   SER  17           HG       SER  17  -2.725   0.770  -6.035
  141    H    ALA  18           HN       ALA  18  -6.616   3.278  -7.196
  142    HA   ALA  18           HA       ALA  18  -8.750   1.506  -7.962
  143    HB1  ALA  18           HB1      ALA  18  -8.822   2.697  -5.821
  144    HB2  ALA  18           HB2      ALA  18 -10.208   3.109  -6.831
  145    HB3  ALA  18           HB3      ALA  18  -8.859   4.237  -6.679
  146    H    GLY  19           HN       GLY  19  -7.539   4.638  -8.894
  147    HA2  GLY  19           HA2      GLY  19  -7.649   5.239 -11.245
  148    HA3  GLY  19           HA1      GLY  19  -9.254   4.503 -11.284
  149    H    GLU  20           HN       GLU  20  -8.360   7.250 -11.882
  150    HA   GLU  20           HA       GLU  20  -8.949   9.379 -11.591
  151    HB2  GLU  20           HB2      GLU  20 -11.244   8.092 -10.108
  152    HB3  GLU  20           HB1      GLU  20 -11.139   9.826 -10.377
  153    HG2  GLU  20           HG2      GLU  20 -11.192   7.735 -12.537
  154    HG3  GLU  20           HG1      GLU  20 -12.574   8.699 -12.005
  155    H    THR  21           HN       THR  21  -9.667  11.036  -9.706
  156    HA   THR  21           HA       THR  21  -7.809  10.519  -7.519
  157    HB   THR  21           HB       THR  21  -9.158  13.157  -8.152
  158    HG1  THR  21           HG1      THR  21  -6.619  12.477  -9.225
  159   HG21  THR  21          HG21      THR  21  -7.082  14.065  -7.207
  160   HG22  THR  21          HG22      THR  21  -6.451  12.429  -7.002
  161   HG23  THR  21          HG23      THR  21  -7.851  12.958  -6.073
  162    H    ASP  22           HN       ASP  22 -10.382   9.298  -7.795
  163    HA   ASP  22           HA       ASP  22 -11.770  10.233  -5.379
  164    HB2  ASP  22           HB2      ASP  22 -13.162   9.561  -7.998
  165    HB3  ASP  22           HB1      ASP  22 -13.962   9.905  -6.476
  166    H    GLY  23           HN       GLY  23  -9.992   8.153  -5.638
  167    HA2  GLY  23           HA2      GLY  23 -11.060   5.651  -6.423
  168    HA3  GLY  23           HA1      GLY  23  -9.737   5.881  -5.284
  169    H    THR  24           HN       THR  24 -10.687   7.005  -3.198
  170    HA   THR  24           HA       THR  24 -13.212   6.322  -2.318
  171    HB   THR  24           HB       THR  24 -12.351   3.985  -2.237
  172    HG1  THR  24           HG1      THR  24 -13.268   3.640  -0.385
  173   HG21  THR  24          HG21      THR  24 -10.467   3.366  -0.765
  174   HG22  THR  24          HG22      THR  24 -10.179   5.074  -0.427
  175   HG23  THR  24          HG23      THR  24  -9.952   4.450  -2.059
  176    H    ASP  25           HN       ASP  25 -12.693   6.375   0.407
  177    HA   ASP  25           HA       ASP  25 -11.108   8.838   0.536
  178    HB2  ASP  25           HB2      ASP  25 -13.482   9.337   0.907
  179    HB3  ASP  25           HB1      ASP  25 -13.510   8.204   2.257
  180    H    LEU  26           HN       LEU  26  -9.286   8.404   1.317
  181    HA   LEU  26           HA       LEU  26  -9.019   6.519   3.551
  182    HB2  LEU  26           HB2      LEU  26  -6.979   7.591   1.596
  183    HB3  LEU  26           HB1      LEU  26  -6.666   6.405   2.845
  184    HG   LEU  26           HG       LEU  26  -8.511   5.985   0.491
  185   HD11  LEU  26          HD11      LEU  26  -6.193   6.148  -0.204
  186   HD12  LEU  26          HD12      LEU  26  -6.785   4.496  -0.347
  187   HD13  LEU  26          HD13      LEU  26  -5.734   4.941   0.997
  188   HD21  LEU  26          HD21      LEU  26  -8.491   3.637   1.197
  189   HD22  LEU  26          HD22      LEU  26  -9.161   4.683   2.451
  190   HD23  LEU  26          HD23      LEU  26  -7.517   4.070   2.603
  191    H    SER  27           HN       SER  27 -10.011   9.113   3.979
  192    HA   SER  27           HA       SER  27  -7.782  10.716   4.906
  193    HB2  SER  27           HB2      SER  27 -10.729  11.341   4.953
  194    HB3  SER  27           HB1      SER  27  -9.402  12.481   5.204
  195    HG   SER  27           HG       SER  27 -10.465  11.488   2.904
  196    H    GLY  28           HN       GLY  28  -9.547   8.312   6.088
  197    HA2  GLY  28           HA2      GLY  28  -9.498   9.310   8.854
  198    HA3  GLY  28           HA1      GLY  28 -10.390   7.888   8.299
  199    H    ASP  29           HN       ASP  29  -9.171   6.885  10.145
  200    HA   ASP  29           HA       ASP  29  -6.355   6.450   9.595
  201    HB2  ASP  29           HB2      ASP  29  -7.365   6.560  11.958
  202    HB3  ASP  29           HB1      ASP  29  -7.986   4.945  11.640
  203    H    PHE  30           HN       PHE  30  -6.511   5.579   7.627
  204    HA   PHE  30           HA       PHE  30  -8.084   3.221   7.172
  205    HB2  PHE  30           HB2      PHE  30  -7.395   3.361   4.864
  206    HB3  PHE  30           HB1      PHE  30  -7.863   4.957   5.425
  207    HD1  PHE  30           HD1      PHE  30  -6.020   6.615   5.989
  208    HD2  PHE  30           HD2      PHE  30  -5.289   2.961   3.941
  209    HE1  PHE  30           HE1      PHE  30  -3.886   7.502   5.163
  210    HE2  PHE  30           HE2      PHE  30  -3.147   3.844   3.120
  211    HZ   PHE  30           HZ       PHE  30  -2.447   6.118   3.730
  212    H    LEU  31           HN       LEU  31  -5.279   3.620   8.709
  213    HA   LEU  31           HA       LEU  31  -3.701   1.680   7.383
  214    HB2  LEU  31           HB2      LEU  31  -3.418   2.923  10.114
  215    HB3  LEU  31           HB1      LEU  31  -2.340   1.673   9.531
  216    HG   LEU  31           HG       LEU  31  -1.262   3.774   9.267
  217   HD11  LEU  31          HD11      LEU  31  -0.805   3.823   6.872
  218   HD12  LEU  31          HD12      LEU  31  -2.198   2.774   6.600
  219   HD13  LEU  31          HD13      LEU  31  -0.822   2.187   7.534
  220   HD21  LEU  31          HD21      LEU  31  -3.640   4.683   7.647
  221   HD22  LEU  31          HD22      LEU  31  -2.142   5.590   7.867
  222   HD23  LEU  31          HD23      LEU  31  -3.189   5.264   9.248
  223    H    ASP  32           HN       ASP  32  -5.973   1.513  10.070
  224    HA   ASP  32           HA       ASP  32  -5.508  -1.375  10.101
  225    HB2  ASP  32           HB2      ASP  32  -6.738  -1.522  12.170
  226    HB3  ASP  32           HB1      ASP  32  -5.576  -0.216  12.326
  227    H    LEU  33           HN       LEU  33  -7.332   0.750   8.510
  228    HA   LEU  33           HA       LEU  33  -9.852  -0.603   8.407
  229    HB2  LEU  33           HB2      LEU  33  -9.697   1.771   7.900
  230    HB3  LEU  33           HB1      LEU  33  -8.545   1.464   6.626
  231    HG   LEU  33           HG       LEU  33 -10.319   0.375   5.303
  232   HD11  LEU  33          HD11      LEU  33 -12.138   1.249   7.538
  233   HD12  LEU  33          HD12      LEU  33 -11.724  -0.416   7.128
  234   HD13  LEU  33          HD13      LEU  33 -12.647   0.567   5.992
  235   HD21  LEU  33          HD21      LEU  33  -9.835   2.738   5.008
  236   HD22  LEU  33          HD22      LEU  33 -10.989   3.145   6.278
  237   HD23  LEU  33          HD23      LEU  33 -11.553   2.414   4.776
  238    H    ARG  34           HN       ARG  34  -9.943  -2.544   7.638
  239    HA   ARG  34           HA       ARG  34  -7.829  -3.829   6.242
  240    HB2  ARG  34           HB2      ARG  34 -10.653  -4.813   6.399
  241    HB3  ARG  34           HB1      ARG  34  -9.202  -5.755   6.116
  242    HG2  ARG  34           HG2      ARG  34  -8.459  -5.295   8.383
  243    HG3  ARG  34           HG1      ARG  34  -9.919  -4.328   8.663
  244    HD2  ARG  34           HD2      ARG  34  -9.729  -7.273   8.080
  245    HD3  ARG  34           HD1      ARG  34 -10.346  -6.494   9.539
  246    HE   ARG  34           HE       ARG  34 -12.029  -5.490   7.836
  247   HH11  ARG  34          HH11      ARG  34 -10.807  -8.833   7.890
  248   HH12  ARG  34          HH12      ARG  34 -12.150  -9.464   7.070
  249   HH21  ARG  34          HH21      ARG  34 -13.884  -6.386   6.733
  250   HH22  ARG  34          HH22      ARG  34 -13.885  -8.073   6.360
  251    H    PHE  35           HN       PHE  35  -7.696  -4.639   4.201
  252    HA   PHE  35           HA       PHE  35  -8.791  -3.058   2.138
  253    HB2  PHE  35           HB2      PHE  35  -7.265  -5.650   2.050
  254    HB3  PHE  35           HB1      PHE  35  -7.794  -4.801   0.606
  255    HD1  PHE  35           HD2      PHE  35  -7.177  -2.156   0.759
  256    HD2  PHE  35           HD1      PHE  35  -5.081  -5.357   2.611
  257    HE1  PHE  35           HE2      PHE  35  -5.131  -0.799   0.776
  258    HE2  PHE  35           HE1      PHE  35  -3.030  -4.004   2.634
  259    HZ   PHE  35           HZ       PHE  35  -3.051  -1.727   1.710
  260    H    GLU  36           HN       GLU  36  -9.760  -6.056   3.585
  261    HA   GLU  36           HA       GLU  36 -11.582  -6.863   1.587
  262    HB2  GLU  36           HB2      GLU  36 -10.821  -8.376   3.410
  263    HB3  GLU  36           HB1      GLU  36 -11.748  -7.419   4.564
  264    HG2  GLU  36           HG2      GLU  36 -13.803  -7.968   3.288
  265    HG3  GLU  36           HG1      GLU  36 -12.841  -9.022   2.263
  266    H    ASP  37           HN       ASP  37 -11.738  -4.408   4.022
  267    HA   ASP  37           HA       ASP  37 -14.621  -4.192   3.917
  268    HB2  ASP  37           HB2      ASP  37 -12.557  -2.450   5.279
  269    HB3  ASP  37           HB1      ASP  37 -14.287  -2.134   5.330
  270    H    ILE  38           HN       ILE  38 -11.829  -2.535   2.607
  271    HA   ILE  38           HA       ILE  38 -13.600  -0.652   1.306
  272    HB   ILE  38           HB       ILE  38 -11.528   0.428   0.394
  273   HG12  ILE  38          HG12      ILE  38 -10.120  -1.546   2.222
  274   HG13  ILE  38          HG11      ILE  38 -10.037  -1.532   0.466
  275   HG21  ILE  38          HG21      ILE  38 -12.620   1.263   2.374
  276   HG22  ILE  38          HG22      ILE  38 -10.872   1.421   2.539
  277   HG23  ILE  38          HG23      ILE  38 -11.725   0.126   3.381
  278   HD11  ILE  38          HD11      ILE  38  -8.035  -0.576   1.443
  279   HD12  ILE  38          HD12      ILE  38  -9.006   0.615   2.310
  280   HD13  ILE  38          HD13      ILE  38  -8.927   0.654   0.549
  281    H    GLY  39           HN       GLY  39 -13.230  -3.558   0.633
  282    HA2  GLY  39           HA2      GLY  39 -13.592  -4.843  -1.229
  283    HA3  GLY  39           HA1      GLY  39 -14.005  -3.353  -2.055
  284    H    TYR  40           HN       TYR  40 -10.915  -4.547  -0.703
  285    HA   TYR  40           HA       TYR  40  -9.779  -4.170  -3.346
  286    HB2  TYR  40           HB2      TYR  40  -8.927  -3.482  -0.646
  287    HB3  TYR  40           HB1      TYR  40  -7.681  -4.184  -1.664
  288    HD1  TYR  40           HD1      TYR  40 -10.239  -1.483  -1.546
  289    HD2  TYR  40           HD2      TYR  40  -6.610  -2.862  -3.245
  290    HE1  TYR  40           HE1      TYR  40  -9.949   0.681  -2.670
  291    HE2  TYR  40           HE2      TYR  40  -6.293  -0.733  -4.362
  292    HH   TYR  40           HH       TYR  40  -7.626   1.083  -5.123
  293    H    ASP  41           HN       ASP  41  -9.040  -5.858  -4.331
  294    HA   ASP  41           HA       ASP  41  -8.620  -8.366  -2.849
  295    HB2  ASP  41           HB2      ASP  41  -8.626  -7.922  -5.860
  296    HB3  ASP  41           HB1      ASP  41  -8.490  -9.470  -5.051
  297    H    SER  42           HN       SER  42  -6.685  -9.658  -3.904
  298    HA   SER  42           HA       SER  42  -4.389  -8.368  -3.072
  299    HB2  SER  42           HB2      SER  42  -4.702 -10.857  -4.731
  300    HB3  SER  42           HB1      SER  42  -3.197 -10.343  -3.948
  301    H    LEU  43           HN       LEU  43  -5.597  -8.695  -6.388
  302    HA   LEU  43           HA       LEU  43  -3.199  -7.975  -7.666
  303    HB2  LEU  43           HB2      LEU  43  -6.050  -7.874  -8.591
  304    HB3  LEU  43           HB1      LEU  43  -4.784  -7.189  -9.579
  305    HG   LEU  43           HG       LEU  43  -5.322  -9.389 -10.372
  306   HD11  LEU  43          HD11      LEU  43  -3.132 -10.460 -10.288
  307   HD12  LEU  43          HD12      LEU  43  -2.660  -9.376  -8.978
  308   HD13  LEU  43          HD13      LEU  43  -3.022  -8.724 -10.576
  309   HD21  LEU  43          HD21      LEU  43  -4.619 -10.393  -7.616
  310   HD22  LEU  43          HD22      LEU  43  -4.979 -11.400  -9.019
  311   HD23  LEU  43          HD23      LEU  43  -6.229 -10.365  -8.334
  312    H    ALA  44           HN       ALA  44  -5.860  -5.940  -6.595
  313    HA   ALA  44           HA       ALA  44  -4.816  -3.526  -7.608
  314    HB1  ALA  44           HB1      ALA  44  -7.141  -3.783  -6.902
  315    HB2  ALA  44           HB2      ALA  44  -6.364  -2.424  -6.091
  316    HB3  ALA  44           HB3      ALA  44  -6.611  -3.947  -5.228
  317    H    LEU  45           HN       LEU  45  -4.225  -5.314  -4.691
  318    HA   LEU  45           HA       LEU  45  -2.871  -3.224  -3.317
  319    HB2  LEU  45           HB2      LEU  45  -2.522  -6.186  -2.924
  320    HB3  LEU  45           HB1      LEU  45  -2.152  -4.924  -1.772
  321    HG   LEU  45           HG       LEU  45  -4.887  -5.760  -2.696
  322   HD11  LEU  45          HD11      LEU  45  -3.519  -5.950  -0.032
  323   HD12  LEU  45          HD12      LEU  45  -3.875  -7.293  -1.120
  324   HD13  LEU  45          HD13      LEU  45  -5.194  -6.396  -0.357
  325   HD21  LEU  45          HD21      LEU  45  -4.080  -3.590  -0.786
  326   HD22  LEU  45          HD22      LEU  45  -5.732  -4.114  -1.120
  327   HD23  LEU  45          HD23      LEU  45  -4.767  -3.354  -2.390
  328    H    MET  46           HN       MET  46  -1.958  -5.900  -5.352
  329    HA   MET  46           HA       MET  46   0.847  -5.636  -5.161
  330    HB2  MET  46           HB2      MET  46  -0.852  -6.831  -7.363
  331    HB3  MET  46           HB1      MET  46   0.893  -7.026  -7.227
  332    HG2  MET  46           HG2      MET  46   0.679  -8.252  -5.203
  333    HG3  MET  46           HG1      MET  46  -1.041  -7.864  -5.096
  334    HE1  MET  46           HE1      MET  46  -1.698 -10.351  -4.691
  335    HE2  MET  46           HE2      MET  46   0.013 -10.783  -4.703
  336    HE3  MET  46           HE3      MET  46  -1.135 -11.695  -5.683
  337    H    GLU  47           HN       GLU  47  -1.532  -4.384  -7.443
  338    HA   GLU  47           HA       GLU  47   0.108  -2.973  -9.205
  339    HB2  GLU  47           HB2      GLU  47  -2.352  -3.359  -9.406
  340    HB3  GLU  47           HB1      GLU  47  -2.613  -2.189  -8.131
  341    HG2  GLU  47           HG2      GLU  47  -3.081  -1.163 -10.235
  342    HG3  GLU  47           HG1      GLU  47  -1.614  -0.446  -9.571
  343    H    THR  48           HN       THR  48  -1.306  -2.022  -6.136
  344    HA   THR  48           HA       THR  48  -0.380   0.608  -5.944
  345    HB   THR  48           HB       THR  48  -1.001  -1.417  -3.778
  346    HG1  THR  48           HG1      THR  48  -2.849  -1.163  -4.905
  347   HG21  THR  48          HG21      THR  48   0.230   0.533  -2.897
  348   HG22  THR  48          HG22      THR  48  -1.447   0.520  -2.353
  349   HG23  THR  48          HG23      THR  48  -0.949   1.614  -3.650
  350    H    ALA  49           HN       ALA  49   0.964  -2.371  -4.455
  351    HA   ALA  49           HA       ALA  49   3.256  -1.179  -3.379
  352    HB1  ALA  49           HB1      ALA  49   2.427  -3.379  -2.683
  353    HB2  ALA  49           HB2      ALA  49   4.125  -3.445  -3.146
  354    HB3  ALA  49           HB3      ALA  49   2.886  -4.044  -4.250
  355    H    ALA  50           HN       ALA  50   2.703  -2.687  -6.524
  356    HA   ALA  50           HA       ALA  50   5.347  -2.734  -7.395
  357    HB1  ALA  50           HB1      ALA  50   2.871  -2.534  -9.079
  358    HB2  ALA  50           HB2      ALA  50   3.547  -4.023  -8.418
  359    HB3  ALA  50           HB3      ALA  50   4.460  -3.088  -9.604
  360    H    ARG  51           HN       ARG  51   2.922  -0.153  -7.632
  361    HA   ARG  51           HA       ARG  51   4.539   1.420  -9.371
  362    HB2  ARG  51           HB2      ARG  51   3.017   3.223  -9.087
  363    HB3  ARG  51           HB1      ARG  51   2.030   1.780  -8.994
  364    HG2  ARG  51           HG2      ARG  51   1.944   1.995  -6.554
  365    HG3  ARG  51           HG1      ARG  51   2.963   3.431  -6.642
  366    HD2  ARG  51           HD2      ARG  51   0.741   4.226  -6.433
  367    HD3  ARG  51           HD1      ARG  51   1.174   4.446  -8.126
  368    HE   ARG  51           HE       ARG  51  -0.747   2.592  -6.994
  369   HH11  ARG  51          HH11      ARG  51   0.826   3.839  -9.969
  370   HH12  ARG  51          HH12      ARG  51  -0.203   2.937 -11.004
  371   HH21  ARG  51          HH21      ARG  51  -2.144   1.476  -8.504
  372   HH22  ARG  51          HH22      ARG  51  -1.858   1.639 -10.210
  373    H    LEU  52           HN       LEU  52   4.347   1.003  -5.959
  374    HA   LEU  52           HA       LEU  52   5.940   3.256  -5.268
  375    HB2  LEU  52           HB2      LEU  52   5.285   0.772  -3.682
  376    HB3  LEU  52           HB1      LEU  52   6.039   2.215  -3.033
  377    HG   LEU  52           HG       LEU  52   3.253   2.054  -4.184
  378   HD11  LEU  52          HD11      LEU  52   3.424   0.921  -2.042
  379   HD12  LEU  52          HD12      LEU  52   2.510   2.423  -1.891
  380   HD13  LEU  52          HD13      LEU  52   4.180   2.350  -1.335
  381   HD21  LEU  52          HD21      LEU  52   3.003   4.345  -3.347
  382   HD22  LEU  52          HD22      LEU  52   4.269   4.230  -4.569
  383   HD23  LEU  52          HD23      LEU  52   4.700   4.348  -2.862
  384    H    GLU  53           HN       GLU  53   6.525  -0.123  -5.957
  385    HA   GLU  53           HA       GLU  53   9.205  -0.398  -5.293
  386    HB2  GLU  53           HB2      GLU  53   7.769  -1.453  -7.723
  387    HB3  GLU  53           HB1      GLU  53   9.372  -1.950  -7.227
  388    HG2  GLU  53           HG2      GLU  53   8.354  -2.785  -5.112
  389    HG3  GLU  53           HG1      GLU  53   6.769  -2.444  -5.826
  390    H    SER  54           HN       SER  54   7.865   0.501  -8.438
  391    HA   SER  54           HA       SER  54  10.262   1.111  -9.711
  392    HB2  SER  54           HB2      SER  54   7.529   2.224 -10.309
  393    HB3  SER  54           HB1      SER  54   8.866   1.990 -11.439
  394    HG   SER  54           HG       SER  54   8.694  -0.311 -10.786
  395    H    ARG  55           HN       ARG  55   8.248   3.002  -7.629
  396    HA   ARG  55           HA       ARG  55   9.270   5.558  -8.450
  397    HB2  ARG  55           HB2      ARG  55   6.962   5.241  -7.674
  398    HB3  ARG  55           HB1      ARG  55   7.557   4.772  -6.094
  399    HG2  ARG  55           HG2      ARG  55   6.736   7.045  -6.063
  400    HG3  ARG  55           HG1      ARG  55   8.479   7.026  -5.792
  401    HD2  ARG  55           HD2      ARG  55   7.760   8.801  -7.308
  402    HD3  ARG  55           HD1      ARG  55   8.882   7.676  -8.073
  403    HE   ARG  55           HE       ARG  55   6.092   7.070  -8.463
  404   HH11  ARG  55          HH11      ARG  55   8.805   8.998  -9.705
  405   HH12  ARG  55          HH12      ARG  55   8.305   8.947 -11.328
  406   HH21  ARG  55          HH21      ARG  55   5.422   6.933 -10.711
  407   HH22  ARG  55          HH22      ARG  55   6.329   7.721 -11.920
  408    H    TYR  56           HN       TYR  56   9.721   3.421  -5.629
  409    HA   TYR  56           HA       TYR  56  11.629   5.366  -4.592
  410    HB2  TYR  56           HB2      TYR  56  10.089   3.198  -3.176
  411    HB3  TYR  56           HB1      TYR  56  11.384   4.114  -2.407
  412    HD1  TYR  56           HD2      TYR  56   8.042   4.430  -3.989
  413    HD2  TYR  56           HD1      TYR  56  11.018   6.316  -1.618
  414    HE1  TYR  56           HE2      TYR  56   6.483   6.270  -3.509
  415    HE2  TYR  56           HE1      TYR  56   9.470   8.160  -1.136
  416    HH   TYR  56           HH       TYR  56   6.112   8.074  -2.091
  417    H    GLY  57           HN       GLY  57  11.724   2.418  -6.193
  418    HA2  GLY  57           HA2      GLY  57  13.652   1.378  -6.928
  419    HA3  GLY  57           HA1      GLY  57  14.589   2.376  -5.826
  420    H    VAL  58           HN       VAL  58  12.060  -0.071  -5.583
  421    HA   VAL  58           HA       VAL  58  13.735  -1.678  -3.854
  422    HB   VAL  58           HB       VAL  58  12.529  -0.159  -2.306
  423   HG11  VAL  58          HG11      VAL  58   9.984  -1.281  -3.457
  424   HG12  VAL  58          HG12      VAL  58  10.560   0.380  -3.592
  425   HG13  VAL  58          HG13      VAL  58  10.091  -0.268  -2.018
  426   HG21  VAL  58          HG21      VAL  58  11.510  -1.853  -0.848
  427   HG22  VAL  58          HG22      VAL  58  13.045  -2.390  -1.529
  428   HG23  VAL  58          HG23      VAL  58  11.528  -2.995  -2.190
  429    H    SER  59           HN       SER  59  13.360  -3.820  -4.259
  430    HA   SER  59           HA       SER  59  11.113  -4.412  -6.044
  431    HB2  SER  59           HB2      SER  59  13.707  -5.901  -5.612
  432    HB3  SER  59           HB1      SER  59  12.418  -6.405  -6.712
  433    HG   SER  59           HG       SER  59  12.691  -4.116  -7.522
  434    H    ILE  60           HN       ILE  60   9.466  -5.418  -5.238
  435    HA   ILE  60           HA       ILE  60   9.817  -7.246  -2.969
  436    HB   ILE  60           HB       ILE  60   7.667  -5.106  -3.224
  437   HG12  ILE  60          HG12      ILE  60   9.826  -5.486  -1.135
  438   HG13  ILE  60          HG11      ILE  60   9.863  -4.295  -2.425
  439   HG21  ILE  60          HG21      ILE  60   6.701  -7.162  -2.330
  440   HG22  ILE  60          HG22      ILE  60   6.799  -5.926  -1.074
  441   HG23  ILE  60          HG23      ILE  60   7.971  -7.241  -1.108
  442   HD11  ILE  60          HD11      ILE  60   7.865  -4.417  -0.184
  443   HD12  ILE  60          HD12      ILE  60   7.898  -3.216  -1.477
  444   HD13  ILE  60          HD13      ILE  60   9.223  -3.299  -0.317
  445    HA   PRO  61           HA       PRO  61   7.773  -9.954  -5.866
  446    HB2  PRO  61           HB2      PRO  61   7.045 -11.415  -3.387
  447    HB3  PRO  61           HB1      PRO  61   7.873 -11.999  -4.836
  448    HG2  PRO  61           HG2      PRO  61   9.199 -11.563  -2.564
  449    HG3  PRO  61           HG1      PRO  61   9.925 -11.214  -4.142
  450    HD2  PRO  61           HD2      PRO  61   8.799  -9.346  -2.115
  451    HD3  PRO  61           HD1      PRO  61  10.186  -9.137  -3.202
  452    H    ASP  62           HN       ASP  62   5.818 -10.000  -6.664
  453    HA   ASP  62           HA       ASP  62   3.741  -8.384  -5.785
  454    HB2  ASP  62           HB2      ASP  62   2.361  -9.367  -7.531
  455    HB3  ASP  62           HB1      ASP  62   3.995  -9.134  -8.131
  456    H    ASP  63           HN       ASP  63   4.236 -11.820  -5.216
  457    HA   ASP  63           HA       ASP  63   1.630 -12.351  -4.263
  458    HB2  ASP  63           HB2      ASP  63   2.395 -14.494  -3.597
  459    HB3  ASP  63           HB1      ASP  63   3.332 -14.085  -5.024
  460    H    VAL  64           HN       VAL  64   4.299 -10.815  -2.782
  461    HA   VAL  64           HA       VAL  64   3.649 -11.341  -0.048
  462    HB   VAL  64           HB       VAL  64   5.201  -9.049  -1.255
  463   HG11  VAL  64          HG11      VAL  64   4.534  -8.594   1.061
  464   HG12  VAL  64          HG12      VAL  64   6.274  -8.866   0.979
  465   HG13  VAL  64          HG13      VAL  64   5.208 -10.140   1.575
  466   HG21  VAL  64          HG21      VAL  64   6.190 -11.699  -0.207
  467   HG22  VAL  64          HG22      VAL  64   7.224 -10.357  -0.699
  468   HG23  VAL  64          HG23      VAL  64   6.195 -11.159  -1.887
  469    H    ALA  65           HN       ALA  65   2.737  -8.941  -2.418
  470    HA   ALA  65           HA       ALA  65   1.516  -7.156  -0.539
  471    HB1  ALA  65           HB1      ALA  65   1.213  -7.290  -3.531
  472    HB2  ALA  65           HB2      ALA  65   2.428  -6.350  -2.658
  473    HB3  ALA  65           HB3      ALA  65   0.714  -5.956  -2.494
  474    H    GLY  66           HN       GLY  66   0.603 -10.104  -1.740
  475    HA2  GLY  66           HA2      GLY  66  -2.260  -9.518  -1.485
  476    HA3  GLY  66           HA1      GLY  66  -1.571 -10.991  -2.158
  477    H    ARG  67           HN       ARG  67  -0.093  -9.840   0.692
  478    HA   ARG  67           HA       ARG  67  -1.485 -11.941   2.274
  479    HB2  ARG  67           HB2      ARG  67   1.224 -10.739   2.811
  480    HB3  ARG  67           HB1      ARG  67   0.505 -12.137   3.591
  481    HG2  ARG  67           HG2      ARG  67   0.713 -13.414   1.553
  482    HG3  ARG  67           HG1      ARG  67   1.334 -11.990   0.701
  483    HD2  ARG  67           HD2      ARG  67   3.138 -11.893   2.438
  484    HD3  ARG  67           HD1      ARG  67   2.587 -13.471   2.987
  485    HE   ARG  67           HE       ARG  67   3.008 -13.835   0.351
  486   HH11  ARG  67          HH11      ARG  67   4.968 -12.500   2.972
  487   HH12  ARG  67          HH12      ARG  67   6.464 -13.014   2.375
  488   HH21  ARG  67          HH21      ARG  67   5.104 -14.448  -0.612
  489   HH22  ARG  67          HH22      ARG  67   6.538 -14.173   0.277
  490    H    VAL  68           HN       VAL  68  -1.468  -8.747   1.815
  491    HA   VAL  68           HA       VAL  68  -1.354  -8.012   4.624
  492    HB   VAL  68           HB       VAL  68  -1.305  -5.635   3.814
  493   HG11  VAL  68          HG11      VAL  68   1.010  -5.753   3.022
  494   HG12  VAL  68          HG12      VAL  68   0.819  -7.485   2.751
  495   HG13  VAL  68          HG13      VAL  68   0.720  -6.831   4.386
  496   HG21  VAL  68          HG21      VAL  68  -0.992  -6.933   1.104
  497   HG22  VAL  68          HG22      VAL  68  -0.736  -5.230   1.458
  498   HG23  VAL  68          HG23      VAL  68  -2.355  -5.929   1.612
  499    H    ASP  69           HN       ASP  69  -3.050  -7.797   5.753
  500    HA   ASP  69           HA       ASP  69  -5.672  -7.918   4.522
  501    HB2  ASP  69           HB2      ASP  69  -4.969  -9.325   6.503
  502    HB3  ASP  69           HB1      ASP  69  -4.893  -7.847   7.446
  503    H    THR  70           HN       THR  70  -3.625  -5.811   6.383
  504    HA   THR  70           HA       THR  70  -5.531  -3.610   6.013
  505    HB   THR  70           HB       THR  70  -4.510  -2.609   8.094
  506    HG1  THR  70           HG1      THR  70  -3.208  -5.138   8.086
  507   HG21  THR  70          HG21      THR  70  -5.821  -5.314   8.425
  508   HG22  THR  70          HG22      THR  70  -6.660  -3.780   8.200
  509   HG23  THR  70          HG23      THR  70  -5.727  -4.068   9.668
  510    HA   PRO  71           HA       PRO  71  -2.461  -1.452   3.621
  511    HB2  PRO  71           HB2      PRO  71  -3.323   0.981   5.101
  512    HB3  PRO  71           HB1      PRO  71  -3.259   0.683   3.359
  513    HG2  PRO  71           HG2      PRO  71  -5.587   0.667   4.583
  514    HG3  PRO  71           HG1      PRO  71  -5.215  -0.586   3.376
  515    HD2  PRO  71           HD2      PRO  71  -5.122  -0.767   6.373
  516    HD3  PRO  71           HD1      PRO  71  -5.828  -1.906   5.207
  517    H    ARG  72           HN       ARG  72  -2.506  -1.023   7.077
  518    HA   ARG  72           HA       ARG  72  -0.108   0.368   7.450
  519    HB2  ARG  72           HB2      ARG  72  -1.667   0.016   9.258
  520    HB3  ARG  72           HB1      ARG  72  -1.455  -1.724   9.158
  521    HG2  ARG  72           HG2      ARG  72   0.805  -1.535   9.969
  522    HG3  ARG  72           HG1      ARG  72   0.693   0.228   9.955
  523    HD2  ARG  72           HD2      ARG  72  -1.068  -1.590  11.591
  524    HD3  ARG  72           HD1      ARG  72   0.370  -0.772  12.203
  525    HE   ARG  72           HE       ARG  72  -0.866   1.296  11.345
  526   HH11  ARG  72          HH11      ARG  72  -2.334  -1.468  13.033
  527   HH12  ARG  72          HH12      ARG  72  -3.579  -0.553  13.749
  528   HH21  ARG  72          HH21      ARG  72  -2.654   2.559  12.333
  529   HH22  ARG  72          HH22      ARG  72  -3.778   1.744  13.312
  530    H    GLU  73           HN       GLU  73  -0.770  -3.012   6.888
  531    HA   GLU  73           HA       GLU  73   1.871  -3.979   7.352
  532    HB2  GLU  73           HB2      GLU  73  -0.382  -5.189   5.758
  533    HB3  GLU  73           HB1      GLU  73   1.030  -6.039   6.379
  534    HG2  GLU  73           HG2      GLU  73   0.314  -5.670   8.639
  535    HG3  GLU  73           HG1      GLU  73  -1.032  -4.680   8.082
  536    H    LEU  74           HN       LEU  74   0.002  -3.016   4.531
  537    HA   LEU  74           HA       LEU  74   1.876  -3.747   2.540
  538    HB2  LEU  74           HB2      LEU  74  -0.595  -3.215   2.226
  539    HB3  LEU  74           HB1      LEU  74  -0.195  -1.527   2.406
  540    HG   LEU  74           HG       LEU  74  -0.637  -2.270   0.065
  541   HD11  LEU  74          HD11      LEU  74   2.153  -1.217   0.514
  542   HD12  LEU  74          HD12      LEU  74   0.678  -0.258   0.408
  543   HD13  LEU  74          HD13      LEU  74   1.254  -1.146  -1.002
  544   HD21  LEU  74          HD21      LEU  74   1.929  -3.810   0.393
  545   HD22  LEU  74          HD22      LEU  74   1.073  -3.555  -1.128
  546   HD23  LEU  74          HD23      LEU  74   0.316  -4.487   0.164
  547    H    LEU  75           HN       LEU  75   1.315  -0.774   4.337
  548    HA   LEU  75           HA       LEU  75   3.237   0.912   3.199
  549    HB2  LEU  75           HB2      LEU  75   1.480   1.627   4.765
  550    HB3  LEU  75           HB1      LEU  75   2.251   0.732   6.051
  551    HG   LEU  75           HG       LEU  75   4.221   2.291   5.868
  552   HD11  LEU  75          HD11      LEU  75   3.935   4.363   4.666
  553   HD12  LEU  75          HD12      LEU  75   2.403   3.783   4.012
  554   HD13  LEU  75          HD13      LEU  75   3.910   2.974   3.580
  555   HD21  LEU  75          HD21      LEU  75   1.542   3.568   6.393
  556   HD22  LEU  75          HD22      LEU  75   3.104   4.158   6.959
  557   HD23  LEU  75          HD23      LEU  75   2.476   2.620   7.549
  558    H    ASP  76           HN       ASP  76   3.399  -1.396   5.841
  559    HA   ASP  76           HA       ASP  76   6.045  -0.824   6.606
  560    HB2  ASP  76           HB2      ASP  76   4.483  -1.858   8.150
  561    HB3  ASP  76           HB1      ASP  76   4.363  -3.279   7.121
  562    H    LEU  77           HN       LEU  77   4.689  -3.015   4.255
  563    HA   LEU  77           HA       LEU  77   6.941  -4.643   3.804
  564    HB2  LEU  77           HB2      LEU  77   4.837  -3.748   1.834
  565    HB3  LEU  77           HB1      LEU  77   5.980  -5.030   1.531
  566    HG   LEU  77           HG       LEU  77   3.759  -5.033   3.558
  567   HD11  LEU  77          HD11      LEU  77   4.208  -6.592   1.021
  568   HD12  LEU  77          HD12      LEU  77   3.035  -5.295   1.262
  569   HD13  LEU  77          HD13      LEU  77   2.863  -6.814   2.141
  570   HD21  LEU  77          HD21      LEU  77   4.406  -7.353   4.008
  571   HD22  LEU  77          HD22      LEU  77   5.714  -6.242   4.421
  572   HD23  LEU  77          HD23      LEU  77   5.791  -7.181   2.929
  573    H    ILE  78           HN       ILE  78   5.883  -1.678   2.240
  574    HA   ILE  78           HA       ILE  78   8.088  -1.467   0.453
  575    HB   ILE  78           HB       ILE  78   6.182   0.680   1.446
  576   HG12  ILE  78          HG12      ILE  78   5.006  -1.182   0.332
  577   HG13  ILE  78          HG11      ILE  78   4.920   0.293  -0.618
  578   HG21  ILE  78          HG21      ILE  78   7.995   0.694  -0.968
  579   HG22  ILE  78          HG22      ILE  78   8.182   1.673   0.487
  580   HG23  ILE  78          HG23      ILE  78   6.799   1.932  -0.579
  581   HD11  ILE  78          HD11      ILE  78   5.290  -1.641  -2.038
  582   HD12  ILE  78          HD12      ILE  78   6.749  -2.046  -1.133
  583   HD13  ILE  78          HD13      ILE  78   6.691  -0.568  -2.089
  584    H    ASN  79           HN       ASN  79   7.198   0.514   3.269
  585    HA   ASN  79           HA       ASN  79   9.598   1.948   3.380
  586    HB2  ASN  79           HB2      ASN  79   7.581   1.477   5.584
  587    HB3  ASN  79           HB1      ASN  79   8.870   2.668   5.632
  588   HD21  ASN  79          HD21      ASN  79   7.530   4.442   5.787
  589   HD22  ASN  79          HD22      ASN  79   6.406   4.879   4.564
  590    H    GLY  80           HN       GLY  80   8.668  -1.085   4.901
  591    HA2  GLY  80           HA2      GLY  80  10.766  -1.187   6.777
  592    HA3  GLY  80           HA1      GLY  80   9.830  -2.548   6.184
  593    H    ALA  81           HN       ALA  81  10.483  -2.288   3.452
  594    HA   ALA  81           HA       ALA  81  13.033  -3.569   3.451
  595    HB1  ALA  81           HB1      ALA  81  11.264  -4.232   1.884
  596    HB2  ALA  81           HB2      ALA  81  12.724  -3.736   1.025
  597    HB3  ALA  81           HB3      ALA  81  11.345  -2.643   1.121
  598    H    LEU  82           HN       LEU  82  11.806  -0.408   2.606
  599    HA   LEU  82           HA       LEU  82  14.206   0.629   1.507
  600    HB2  LEU  82           HB2      LEU  82  11.892   2.060   2.816
  601    HB3  LEU  82           HB1      LEU  82  13.198   2.861   1.977
  602    HG   LEU  82           HG       LEU  82  11.232   0.955   0.707
  603   HD11  LEU  82          HD11      LEU  82  11.439   3.960   0.570
  604   HD12  LEU  82          HD12      LEU  82  10.176   3.039   1.388
  605   HD13  LEU  82          HD13      LEU  82  10.329   2.957  -0.367
  606   HD21  LEU  82          HD21      LEU  82  13.373   2.707  -0.502
  607   HD22  LEU  82          HD22      LEU  82  12.204   1.739  -1.401
  608   HD23  LEU  82          HD23      LEU  82  13.416   0.948  -0.397
  609    H    ALA  83           HN       ALA  83  12.995   0.339   4.766
  610    HA   ALA  83           HA       ALA  83  14.786   2.073   6.062
  611    HB1  ALA  83           HB1      ALA  83  13.467  -0.400   7.180
  612    HB2  ALA  83           HB2      ALA  83  12.746   1.209   7.114
  613    HB3  ALA  83           HB3      ALA  83  14.169   0.923   8.114
  614    H    GLU  84           HN       GLU  84  15.323  -0.949   4.617
  615    HA   GLU  84           HA       GLU  84  17.641  -1.624   6.206
  616    HB2  GLU  84           HB2      GLU  84  16.569  -2.854   3.659
  617    HB3  GLU  84           HB1      GLU  84  17.863  -3.511   4.651
  618    HG2  GLU  84           HG2      GLU  84  15.005  -3.141   5.516
  619    HG3  GLU  84           HG1      GLU  84  15.753  -4.661   5.028
  620    H    ALA  85           HN       ALA  85  17.074   0.644   3.882
  621    HA   ALA  85           HA       ALA  85  19.610   0.287   2.503
  622    HB1  ALA  85           HB1      ALA  85  18.842   2.062   1.021
  623    HB2  ALA  85           HB2      ALA  85  17.403   2.287   2.015
  624    HB3  ALA  85           HB3      ALA  85  17.640   0.778   1.133
  625    H    ALA  86           HN       ALA  86  21.214   0.960   3.771
  626    HA   ALA  86           HA       ALA  86  21.269   3.765   4.421
  627    HB1  ALA  86           HB1      ALA  86  20.389   2.734   6.463
  628    HB2  ALA  86           HB2      ALA  86  22.032   3.325   6.721
  629    HB3  ALA  86           HB3      ALA  86  21.740   1.601   6.483
  630   H282  PNS  87          H28A      PNS  87  -6.504 -14.211  -4.352
  631   H281  PNS  87          H28B      PNS  87  -7.872 -13.484  -3.503
  632   H303  PNS  87          H30A      PNS  87  -9.442 -14.539  -5.002
  633   H302  PNS  87          H30B      PNS  87  -8.102 -15.316  -5.845
  634   H301  PNS  87          H30C      PNS  87  -9.286 -14.374  -6.751
  635   H313  PNS  87          H31A      PNS  87  -9.530 -12.117  -4.761
  636   H312  PNS  87          H31B      PNS  87  -9.337 -11.874  -6.497
  637   H311  PNS  87          H31C      PNS  87  -8.224 -11.099  -5.369
  638    H32  PNS  87          H32A      PNS  87  -6.194 -12.233  -6.609
  639    H33  PNS  87          H33A      PNS  87  -7.775 -13.334  -8.556
  640    H36  PNS  87          H36A      PNS  87  -5.657 -14.701  -5.383
  641   H372  PNS  87          H37A      PNS  87  -5.482 -16.950  -6.970
  642   H371  PNS  87          H37B      PNS  87  -4.003 -16.024  -7.268
  643   H382  PNS  87          H38A      PNS  87  -4.984 -16.906  -4.525
  644   H381  PNS  87          H38B      PNS  87  -3.911 -17.837  -5.523
  645    H41  PNS  87          H41A      PNS  87  -2.985 -17.336  -3.181
  646   H422  PNS  87          H42A      PNS  87  -0.496 -16.368  -3.419
  647   H421  PNS  87          H42B      PNS  87  -1.427 -14.972  -2.822
  648   H431  PNS  87          H43A      PNS  87  -2.135 -16.226  -0.928
  649   H432  PNS  87          H43B      PNS  87  -0.379 -16.457  -1.030
  650    H44  PNS  87           H1       PNS  87  -1.607 -18.846  -0.266
  Start of MODEL   11
    1    H1   MET   1           HT1      MET   1  18.353   7.380   4.679
    2    H2   MET   1           HT2      MET   1  19.996   7.085   4.729
    3    H3   MET   1           HT3      MET   1  18.939   5.874   4.186
    4    HA   MET   1           HA       MET   1  19.491   8.470   2.881
    5    HB2  MET   1           HB2      MET   1  20.156   5.646   2.010
    6    HB3  MET   1           HB1      MET   1  20.401   7.084   1.032
    7    HG2  MET   1           HG2      MET   1  22.014   7.922   2.632
    8    HG3  MET   1           HG1      MET   1  21.728   6.534   3.675
    9    HE1  MET   1           HE1      MET   1  23.177   7.790   0.273
   10    HE2  MET   1           HE2      MET   1  21.962   6.619  -0.241
   11    HE3  MET   1           HE3      MET   1  23.675   6.283  -0.494
   12    H    ALA   2           HN       ALA   2  17.551   5.490   2.923
   13    HA   ALA   2           HA       ALA   2  16.105   6.212   0.574
   14    HB1  ALA   2           HB1      ALA   2  14.692   4.300   1.132
   15    HB2  ALA   2           HB2      ALA   2  15.471   4.180   2.713
   16    HB3  ALA   2           HB3      ALA   2  16.401   3.878   1.245
   17    H    THR   3           HN       THR   3  14.115   7.126   0.411
   18    HA   THR   3           HA       THR   3  13.248   8.654   2.706
   19    HB   THR   3           HB       THR   3  13.432   9.896   0.672
   20    HG1  THR   3           HG1      THR   3  10.638   9.543   0.802
   21   HG21  THR   3          HG21      THR   3  11.565   7.909  -0.639
   22   HG22  THR   3          HG22      THR   3  13.286   8.095  -0.971
   23   HG23  THR   3          HG23      THR   3  12.165   9.394  -1.382
   24    H    LEU   4           HN       LEU   4  11.942   7.667   4.086
   25    HA   LEU   4           HA       LEU   4  10.341   5.394   3.312
   26    HB2  LEU   4           HB2      LEU   4  10.218   6.876   5.941
   27    HB3  LEU   4           HB1      LEU   4   9.623   5.284   5.560
   28    HG   LEU   4           HG       LEU   4  12.551   6.014   5.632
   29   HD11  LEU   4          HD11      LEU   4  12.606   4.719   7.700
   30   HD12  LEU   4          HD12      LEU   4  10.858   4.521   7.626
   31   HD13  LEU   4          HD13      LEU   4  11.555   6.125   7.847
   32   HD21  LEU   4          HD21      LEU   4  11.161   3.347   5.411
   33   HD22  LEU   4          HD22      LEU   4  12.903   3.603   5.537
   34   HD23  LEU   4          HD23      LEU   4  12.027   4.171   4.116
   35    H    LEU   5           HN       LEU   5   8.415   5.528   2.464
   36    HA   LEU   5           HA       LEU   5   7.019   7.969   2.322
   37    HB2  LEU   5           HB2      LEU   5   5.146   6.548   1.301
   38    HB3  LEU   5           HB1      LEU   5   6.650   6.727   0.436
   39    HG   LEU   5           HG       LEU   5   7.292   4.429   1.082
   40   HD11  LEU   5          HD11      LEU   5   5.684   2.924   2.102
   41   HD12  LEU   5          HD12      LEU   5   4.563   4.263   2.337
   42   HD13  LEU   5          HD13      LEU   5   6.100   4.238   3.202
   43   HD21  LEU   5          HD21      LEU   5   6.134   4.802  -0.987
   44   HD22  LEU   5          HD22      LEU   5   4.579   4.684  -0.166
   45   HD23  LEU   5          HD23      LEU   5   5.623   3.269  -0.276
   46    H    THR   6           HN       THR   6   4.975   8.537   3.042
   47    HA   THR   6           HA       THR   6   4.401   7.440   5.678
   48    HB   THR   6           HB       THR   6   3.205   9.641   5.974
   49    HG1  THR   6           HG1      THR   6   3.897  11.272   4.433
   50   HG21  THR   6          HG21      THR   6   5.449   9.236   6.877
   51   HG22  THR   6          HG22      THR   6   5.286  10.901   6.322
   52   HG23  THR   6          HG23      THR   6   6.162   9.724   5.342
   53    H    THR   7           HN       THR   7   1.912   8.357   6.137
   54    HA   THR   7           HA       THR   7   0.212   6.519   4.845
   55    HB   THR   7           HB       THR   7  -0.516   8.970   6.477
   56    HG1  THR   7           HG1      THR   7  -0.663   7.376   8.173
   57   HG21  THR   7          HG21      THR   7  -2.427   7.978   5.289
   58   HG22  THR   7          HG22      THR   7  -2.560   7.713   7.027
   59   HG23  THR   7          HG23      THR   7  -2.035   6.400   5.973
   60    H    ASP   8           HN       ASP   8   0.858   9.956   4.517
   61    HA   ASP   8           HA       ASP   8  -1.184  10.769   2.784
   62    HB2  ASP   8           HB2      ASP   8   1.695  11.699   2.830
   63    HB3  ASP   8           HB1      ASP   8   0.432  12.464   1.881
   64    H    ASP   9           HN       ASP   9   1.985   9.491   2.046
   65    HA   ASP   9           HA       ASP   9   1.674   9.578  -0.761
   66    HB2  ASP   9           HB2      ASP   9   3.856   9.487   0.466
   67    HB3  ASP   9           HB1      ASP   9   3.536   7.784   0.783
   68    H    LEU  10           HN       LEU  10   1.437   6.970   1.600
   69    HA   LEU  10           HA       LEU  10   0.823   4.840  -0.069
   70    HB2  LEU  10           HB2      LEU  10   1.313   4.635   2.330
   71    HB3  LEU  10           HB1      LEU  10  -0.222   5.389   2.709
   72    HG   LEU  10           HG       LEU  10  -1.370   3.461   1.617
   73   HD11  LEU  10          HD11      LEU  10  -0.104   1.419   1.224
   74   HD12  LEU  10          HD12      LEU  10   1.394   2.281   1.567
   75   HD13  LEU  10          HD13      LEU  10   0.420   2.729   0.167
   76   HD21  LEU  10          HD21      LEU  10  -1.110   3.576   4.033
   77   HD22  LEU  10          HD22      LEU  10   0.470   2.796   3.914
   78   HD23  LEU  10          HD23      LEU  10  -0.991   1.910   3.471
   79    H    ARG  11           HN       ARG  11  -1.330   7.182   1.452
   80    HA   ARG  11           HA       ARG  11  -3.798   6.187   0.609
   81    HB2  ARG  11           HB2      ARG  11  -3.573   7.905   2.313
   82    HB3  ARG  11           HB1      ARG  11  -2.931   9.023   1.130
   83    HG2  ARG  11           HG2      ARG  11  -5.070   9.059  -0.026
   84    HG3  ARG  11           HG1      ARG  11  -5.727   7.906   1.144
   85    HD2  ARG  11           HD2      ARG  11  -6.369  10.193   1.708
   86    HD3  ARG  11           HD1      ARG  11  -5.332   9.490   2.950
   87    HE   ARG  11           HE       ARG  11  -4.491  11.433   0.913
   88   HH11  ARG  11          HH11      ARG  11  -4.041   9.953   4.102
   89   HH12  ARG  11          HH12      ARG  11  -2.953  11.135   4.682
   90   HH21  ARG  11          HH21      ARG  11  -2.948  13.043   1.680
   91   HH22  ARG  11          HH22      ARG  11  -2.234  12.915   3.225
   92    H    ARG  12           HN       ARG  12  -1.809   8.747  -0.818
   93    HA   ARG  12           HA       ARG  12  -3.455   9.212  -3.037
   94    HB2  ARG  12           HB2      ARG  12  -0.471   9.623  -2.812
   95    HB3  ARG  12           HB1      ARG  12  -1.517  10.337  -4.030
   96    HG2  ARG  12           HG2      ARG  12  -2.664  11.634  -2.374
   97    HG3  ARG  12           HG1      ARG  12  -1.788  10.820  -1.077
   98    HD2  ARG  12           HD2      ARG  12   0.330  11.711  -2.098
   99    HD3  ARG  12           HD1      ARG  12  -0.686  12.691  -3.157
  100    HE   ARG  12           HE       ARG  12  -1.672  13.486  -0.920
  101   HH11  ARG  12          HH11      ARG  12   1.797  12.918  -1.572
  102   HH12  ARG  12          HH12      ARG  12   2.272  13.852  -0.223
  103   HH21  ARG  12          HH21      ARG  12  -0.904  14.802   0.835
  104   HH22  ARG  12          HH22      ARG  12   0.781  14.932   1.124
  105    H    ALA  13           HN       ALA  13  -0.741   7.018  -2.559
  106    HA   ALA  13           HA       ALA  13  -0.564   6.106  -5.218
  107    HB1  ALA  13           HB1      ALA  13   0.274   4.702  -2.692
  108    HB2  ALA  13           HB2      ALA  13   1.244   5.872  -3.591
  109    HB3  ALA  13           HB3      ALA  13   0.817   4.327  -4.328
  110    H    LEU  14           HN       LEU  14  -2.328   4.821  -2.415
  111    HA   LEU  14           HA       LEU  14  -3.205   2.504  -3.807
  112    HB2  LEU  14           HB2      LEU  14  -3.062   2.517  -1.472
  113    HB3  LEU  14           HB1      LEU  14  -4.242   3.812  -1.286
  114    HG   LEU  14           HG       LEU  14  -5.974   2.217  -2.195
  115   HD11  LEU  14          HD11      LEU  14  -3.754   0.206  -1.901
  116   HD12  LEU  14          HD12      LEU  14  -4.488   0.734  -3.414
  117   HD13  LEU  14          HD13      LEU  14  -5.446  -0.162  -2.237
  118   HD21  LEU  14          HD21      LEU  14  -6.160   0.888  -0.154
  119   HD22  LEU  14          HD22      LEU  14  -5.724   2.560   0.205
  120   HD23  LEU  14          HD23      LEU  14  -4.496   1.296   0.264
  121    H    VAL  15           HN       VAL  15  -4.674   5.654  -3.221
  122    HA   VAL  15           HA       VAL  15  -7.085   5.000  -4.585
  123    HB   VAL  15           HB       VAL  15  -5.918   7.769  -4.036
  124   HG11  VAL  15          HG11      VAL  15  -8.752   6.980  -4.695
  125   HG12  VAL  15          HG12      VAL  15  -7.645   7.850  -5.756
  126   HG13  VAL  15          HG13      VAL  15  -8.209   8.601  -4.263
  127   HG21  VAL  15          HG21      VAL  15  -7.906   6.156  -2.430
  128   HG22  VAL  15          HG22      VAL  15  -7.423   7.812  -2.089
  129   HG23  VAL  15          HG23      VAL  15  -6.245   6.508  -1.970
  130    H    GLU  16           HN       GLU  16  -3.967   5.724  -5.602
  131    HA   GLU  16           HA       GLU  16  -4.535   6.640  -8.265
  132    HB2  GLU  16           HB2      GLU  16  -2.457   7.177  -6.967
  133    HB3  GLU  16           HB1      GLU  16  -2.000   5.492  -7.093
  134    HG2  GLU  16           HG2      GLU  16  -1.924   5.744  -9.543
  135    HG3  GLU  16           HG1      GLU  16  -2.282   7.462  -9.336
  136    H    SER  17           HN       SER  17  -3.894   3.565  -6.625
  137    HA   SER  17           HA       SER  17  -3.583   1.949  -8.903
  138    HB2  SER  17           HB2      SER  17  -4.714   1.204  -6.192
  139    HB3  SER  17           HB1      SER  17  -4.115   0.076  -7.401
  140    HG   SER  17           HG       SER  17  -2.698   0.699  -5.639
  141    H    ALA  18           HN       ALA  18  -6.370   2.993  -7.080
  142    HA   ALA  18           HA       ALA  18  -8.298   1.603  -8.663
  143    HB1  ALA  18           HB1      ALA  18  -8.797   2.374  -6.397
  144    HB2  ALA  18           HB2      ALA  18  -9.918   3.082  -7.562
  145    HB3  ALA  18           HB3      ALA  18  -8.593   4.047  -6.915
  146    H    GLY  19           HN       GLY  19  -6.799   4.760  -8.683
  147    HA2  GLY  19           HA2      GLY  19  -6.472   6.203 -10.457
  148    HA3  GLY  19           HA1      GLY  19  -7.451   5.138 -11.462
  149    H    GLU  20           HN       GLU  20  -8.788   5.945  -8.492
  150    HA   GLU  20           HA       GLU  20 -10.911   7.393  -9.806
  151    HB2  GLU  20           HB2      GLU  20 -10.553   6.842  -6.874
  152    HB3  GLU  20           HB1      GLU  20 -12.023   7.397  -7.660
  153    HG2  GLU  20           HG2      GLU  20 -12.173   5.298  -8.875
  154    HG3  GLU  20           HG1      GLU  20 -10.692   4.742  -8.098
  155    H    THR  21           HN       THR  21  -8.476   7.943  -7.668
  156    HA   THR  21           HA       THR  21  -7.651   9.765  -6.501
  157    HB   THR  21           HB       THR  21  -7.152  11.751  -8.038
  158    HG1  THR  21           HG1      THR  21  -8.899  10.654  -9.571
  159   HG21  THR  21          HG21      THR  21  -6.172   8.987  -8.760
  160   HG22  THR  21          HG22      THR  21  -5.512  10.036  -7.505
  161   HG23  THR  21          HG23      THR  21  -5.371  10.494  -9.202
  162    H    ASP  22           HN       ASP  22  -9.523   9.860  -5.212
  163    HA   ASP  22           HA       ASP  22 -10.733  12.505  -5.214
  164    HB2  ASP  22           HB2      ASP  22 -12.340  11.089  -6.498
  165    HB3  ASP  22           HB1      ASP  22 -12.447  10.005  -5.122
  166    H    GLY  23           HN       GLY  23 -10.758   9.277  -3.693
  167    HA2  GLY  23           HA2      GLY  23  -9.460  10.044  -1.389
  168    HA3  GLY  23           HA1      GLY  23 -11.174  10.303  -1.093
  169    H    THR  24           HN       THR  24 -12.263   8.215  -2.499
  170    HA   THR  24           HA       THR  24 -12.926   6.099  -2.286
  171    HB   THR  24           HB       THR  24 -10.005   5.402  -1.729
  172    HG1  THR  24           HG1      THR  24 -11.058   5.314  -4.349
  173   HG21  THR  24          HG21      THR  24 -12.213   3.839  -3.122
  174   HG22  THR  24          HG22      THR  24 -11.614   3.505  -1.500
  175   HG23  THR  24          HG23      THR  24 -10.555   3.286  -2.892
  176    H    ASP  25           HN       ASP  25 -12.896   7.848  -0.003
  177    HA   ASP  25           HA       ASP  25 -13.383   7.963   2.176
  178    HB2  ASP  25           HB2      ASP  25 -15.043   6.165   1.517
  179    HB3  ASP  25           HB1      ASP  25 -13.886   4.963   2.065
  180    H    LEU  26           HN       LEU  26 -10.673   7.285   1.253
  181    HA   LEU  26           HA       LEU  26  -9.490   6.022   3.639
  182    HB2  LEU  26           HB2      LEU  26  -8.257   6.724   0.978
  183    HB3  LEU  26           HB1      LEU  26  -7.478   5.792   2.229
  184    HG   LEU  26           HG       LEU  26  -9.842   4.950   0.559
  185   HD11  LEU  26          HD11      LEU  26  -7.748   4.938  -0.652
  186   HD12  LEU  26          HD12      LEU  26  -8.309   3.297  -0.350
  187   HD13  LEU  26          HD13      LEU  26  -6.998   3.969   0.613
  188   HD21  LEU  26          HD21      LEU  26  -9.624   2.766   1.651
  189   HD22  LEU  26          HD22      LEU  26 -10.034   4.028   2.811
  190   HD23  LEU  26          HD23      LEU  26  -8.380   3.421   2.717
  191    H    SER  27           HN       SER  27 -10.517   8.918   3.190
  192    HA   SER  27           HA       SER  27  -8.071  10.439   3.100
  193    HB2  SER  27           HB2      SER  27 -10.918  11.404   3.253
  194    HB3  SER  27           HB1      SER  27  -9.501  12.378   2.861
  195    HG   SER  27           HG       SER  27 -10.984  11.296   1.167
  196    H    GLY  28           HN       GLY  28  -9.352   8.913   5.582
  197    HA2  GLY  28           HA2      GLY  28  -8.361  10.930   7.482
  198    HA3  GLY  28           HA1      GLY  28  -9.973  10.273   7.740
  199    H    ASP  29           HN       ASP  29  -6.799   9.065   6.917
  200    HA   ASP  29           HA       ASP  29  -5.525   7.305   7.507
  201    HB2  ASP  29           HB2      ASP  29  -5.696   8.197   9.856
  202    HB3  ASP  29           HB1      ASP  29  -7.094   7.158  10.109
  203    H    PHE  30           HN       PHE  30  -5.466   5.160   7.170
  204    HA   PHE  30           HA       PHE  30  -7.968   3.680   7.184
  205    HB2  PHE  30           HB2      PHE  30  -7.792   3.074   4.814
  206    HB3  PHE  30           HB1      PHE  30  -7.955   4.813   4.998
  207    HD1  PHE  30           HD1      PHE  30  -5.743   6.182   4.934
  208    HD2  PHE  30           HD2      PHE  30  -6.104   2.202   3.492
  209    HE1  PHE  30           HE1      PHE  30  -3.739   6.501   3.567
  210    HE2  PHE  30           HE2      PHE  30  -4.093   2.518   2.117
  211    HZ   PHE  30           HZ       PHE  30  -2.909   4.670   2.155
  212    H    LEU  31           HN       LEU  31  -5.202   3.641   8.435
  213    HA   LEU  31           HA       LEU  31  -3.768   1.582   7.118
  214    HB2  LEU  31           HB2      LEU  31  -3.355   3.206   9.510
  215    HB3  LEU  31           HB1      LEU  31  -2.630   1.611   9.564
  216    HG   LEU  31           HG       LEU  31  -1.291   2.063   7.624
  217   HD11  LEU  31          HD11      LEU  31  -2.886   3.352   6.337
  218   HD12  LEU  31          HD12      LEU  31  -1.321   4.157   6.448
  219   HD13  LEU  31          HD13      LEU  31  -2.681   4.730   7.431
  220   HD21  LEU  31          HD21      LEU  31  -0.422   2.846   9.725
  221   HD22  LEU  31          HD22      LEU  31  -1.286   4.371   9.519
  222   HD23  LEU  31          HD23      LEU  31   0.038   3.954   8.424
  223    H    ASP  32           HN       ASP  32  -6.179   1.442   9.600
  224    HA   ASP  32           HA       ASP  32  -5.669  -1.450   9.635
  225    HB2  ASP  32           HB2      ASP  32  -6.689  -1.625  11.815
  226    HB3  ASP  32           HB1      ASP  32  -5.453  -0.383  11.882
  227    H    LEU  33           HN       LEU  33  -7.267   0.520   7.981
  228    HA   LEU  33           HA       LEU  33  -9.915  -0.654   8.132
  229    HB2  LEU  33           HB2      LEU  33  -9.577   1.801   7.746
  230    HB3  LEU  33           HB1      LEU  33  -8.727   1.422   6.268
  231    HG   LEU  33           HG       LEU  33 -10.822   0.500   5.327
  232   HD11  LEU  33          HD11      LEU  33 -11.897  -0.174   7.410
  233   HD12  LEU  33          HD12      LEU  33 -12.932   0.908   6.481
  234   HD13  LEU  33          HD13      LEU  33 -12.053   1.518   7.883
  235   HD21  LEU  33          HD21      LEU  33 -11.947   2.652   5.043
  236   HD22  LEU  33          HD22      LEU  33 -10.199   2.818   4.916
  237   HD23  LEU  33          HD23      LEU  33 -11.026   3.313   6.394
  238    H    ARG  34           HN       ARG  34  -9.920  -2.633   7.326
  239    HA   ARG  34           HA       ARG  34  -7.927  -3.788   5.746
  240    HB2  ARG  34           HB2      ARG  34 -10.738  -4.689   6.260
  241    HB3  ARG  34           HB1      ARG  34  -9.555  -5.640   5.382
  242    HG2  ARG  34           HG2      ARG  34  -8.123  -5.623   7.379
  243    HG3  ARG  34           HG1      ARG  34  -9.399  -4.756   8.243
  244    HD2  ARG  34           HD2      ARG  34  -9.739  -7.433   6.907
  245    HD3  ARG  34           HD1      ARG  34  -9.431  -7.205   8.627
  246    HE   ARG  34           HE       ARG  34 -11.561  -5.805   8.504
  247   HH11  ARG  34          HH11      ARG  34 -11.035  -8.694   6.458
  248   HH12  ARG  34          HH12      ARG  34 -12.654  -9.207   6.581
  249   HH21  ARG  34          HH21      ARG  34 -13.808  -6.475   8.514
  250   HH22  ARG  34          HH22      ARG  34 -14.259  -7.924   7.764
  251    H    PHE  35           HN       PHE  35  -7.895  -4.568   3.703
  252    HA   PHE  35           HA       PHE  35  -8.956  -2.845   1.715
  253    HB2  PHE  35           HB2      PHE  35  -7.517  -5.483   1.466
  254    HB3  PHE  35           HB1      PHE  35  -7.870  -4.388   0.133
  255    HD1  PHE  35           HD2      PHE  35  -6.951  -1.959   0.411
  256    HD2  PHE  35           HD1      PHE  35  -5.502  -5.350   2.531
  257    HE1  PHE  35           HE2      PHE  35  -4.813  -0.808   0.783
  258    HE2  PHE  35           HE1      PHE  35  -3.364  -4.203   2.913
  259    HZ   PHE  35           HZ       PHE  35  -3.014  -1.934   2.034
  260    H    GLU  36           HN       GLU  36  -9.645  -6.072   2.881
  261    HA   GLU  36           HA       GLU  36 -11.621  -6.801   0.990
  262    HB2  GLU  36           HB2      GLU  36 -10.518  -8.347   2.616
  263    HB3  GLU  36           HB1      GLU  36 -11.408  -7.571   3.911
  264    HG2  GLU  36           HG2      GLU  36 -12.459  -9.650   3.365
  265    HG3  GLU  36           HG1      GLU  36 -13.515  -8.332   2.867
  266    H    ASP  37           HN       ASP  37 -11.594  -4.840   3.811
  267    HA   ASP  37           HA       ASP  37 -14.453  -4.674   4.133
  268    HB2  ASP  37           HB2      ASP  37 -12.908  -4.706   6.052
  269    HB3  ASP  37           HB1      ASP  37 -12.191  -3.204   5.500
  270    H    ILE  38           HN       ILE  38 -12.139  -3.133   2.189
  271    HA   ILE  38           HA       ILE  38 -14.033  -0.958   1.609
  272    HB   ILE  38           HB       ILE  38 -12.178   0.401   0.713
  273   HG12  ILE  38          HG12      ILE  38 -10.355  -1.745   1.842
  274   HG13  ILE  38          HG11      ILE  38 -10.638  -1.449   0.134
  275   HG21  ILE  38          HG21      ILE  38 -12.890   0.776   2.987
  276   HG22  ILE  38          HG22      ILE  38 -11.147   1.023   2.856
  277   HG23  ILE  38          HG23      ILE  38 -11.778  -0.462   3.568
  278   HD11  ILE  38          HD11      ILE  38  -9.619   0.768   0.362
  279   HD12  ILE  38          HD12      ILE  38  -8.516  -0.521   0.848
  280   HD13  ILE  38          HD13      ILE  38  -9.333   0.453   2.075
  281    H    GLY  39           HN       GLY  39 -13.648  -3.757   0.607
  282    HA2  GLY  39           HA2      GLY  39 -14.056  -4.874  -1.345
  283    HA3  GLY  39           HA1      GLY  39 -14.588  -3.334  -1.989
  284    H    TYR  40           HN       TYR  40 -11.327  -4.258  -0.937
  285    HA   TYR  40           HA       TYR  40 -10.416  -3.722  -3.668
  286    HB2  TYR  40           HB2      TYR  40  -9.351  -2.966  -1.095
  287    HB3  TYR  40           HB1      TYR  40  -8.208  -3.992  -1.981
  288    HD1  TYR  40           HD1      TYR  40 -10.310  -0.953  -2.444
  289    HD2  TYR  40           HD2      TYR  40  -6.847  -3.143  -3.548
  290    HE1  TYR  40           HE1      TYR  40  -9.583   0.922  -3.853
  291    HE2  TYR  40           HE2      TYR  40  -6.095  -1.302  -4.946
  292    HH   TYR  40           HH       TYR  40  -7.179   0.561  -6.154
  293    H    ASP  41           HN       ASP  41  -9.027  -5.123  -4.674
  294    HA   ASP  41           HA       ASP  41  -9.239  -7.903  -3.776
  295    HB2  ASP  41           HB2      ASP  41  -8.293  -6.752  -6.424
  296    HB3  ASP  41           HB1      ASP  41  -8.516  -8.460  -6.066
  297    H    SER  42           HN       SER  42  -7.334  -9.216  -3.523
  298    HA   SER  42           HA       SER  42  -5.073  -7.834  -2.608
  299    HB2  SER  42           HB2      SER  42  -5.316 -10.756  -3.349
  300    HB3  SER  42           HB1      SER  42  -4.016 -10.043  -2.387
  301    H    LEU  43           HN       LEU  43  -5.901  -8.940  -5.779
  302    HA   LEU  43           HA       LEU  43  -3.291  -8.859  -6.897
  303    HB2  LEU  43           HB2      LEU  43  -5.993  -8.505  -8.216
  304    HB3  LEU  43           HB1      LEU  43  -4.496  -8.483  -9.110
  305    HG   LEU  43           HG       LEU  43  -5.474 -10.602  -9.424
  306   HD11  LEU  43          HD11      LEU  43  -3.248 -10.880  -7.440
  307   HD12  LEU  43          HD12      LEU  43  -3.103 -10.675  -9.186
  308   HD13  LEU  43          HD13      LEU  43  -3.821 -12.145  -8.528
  309   HD21  LEU  43          HD21      LEU  43  -7.016 -10.651  -7.547
  310   HD22  LEU  43          HD22      LEU  43  -5.673 -10.880  -6.430
  311   HD23  LEU  43          HD23      LEU  43  -6.065 -12.136  -7.607
  312    H    ALA  44           HN       ALA  44  -5.691  -6.453  -6.203
  313    HA   ALA  44           HA       ALA  44  -4.460  -4.316  -7.672
  314    HB1  ALA  44           HB1      ALA  44  -6.076  -2.909  -6.522
  315    HB2  ALA  44           HB2      ALA  44  -6.486  -4.222  -5.424
  316    HB3  ALA  44           HB3      ALA  44  -6.873  -4.352  -7.143
  317    H    LEU  45           HN       LEU  45  -4.108  -5.735  -4.565
  318    HA   LEU  45           HA       LEU  45  -2.764  -3.561  -3.326
  319    HB2  LEU  45           HB2      LEU  45  -2.451  -6.493  -2.709
  320    HB3  LEU  45           HB1      LEU  45  -2.061  -5.145  -1.664
  321    HG   LEU  45           HG       LEU  45  -4.804  -6.006  -2.519
  322   HD11  LEU  45          HD11      LEU  45  -5.111  -6.432  -0.133
  323   HD12  LEU  45          HD12      LEU  45  -3.427  -5.989   0.152
  324   HD13  LEU  45          HD13      LEU  45  -3.812  -7.415  -0.814
  325   HD21  LEU  45          HD21      LEU  45  -5.596  -4.205  -1.069
  326   HD22  LEU  45          HD22      LEU  45  -4.644  -3.591  -2.431
  327   HD23  LEU  45          HD23      LEU  45  -3.923  -3.697  -0.826
  328    H    MET  46           HN       MET  46  -1.848  -6.357  -5.153
  329    HA   MET  46           HA       MET  46   0.949  -6.127  -5.049
  330    HB2  MET  46           HB2      MET  46  -0.824  -7.178  -7.257
  331    HB3  MET  46           HB1      MET  46   0.914  -7.447  -7.154
  332    HG2  MET  46           HG2      MET  46   0.664  -8.740  -5.173
  333    HG3  MET  46           HG1      MET  46  -1.042  -8.323  -5.052
  334    HE1  MET  46           HE1      MET  46  -1.752 -10.875  -4.822
  335    HE2  MET  46           HE2      MET  46  -0.049 -11.324  -4.863
  336    HE3  MET  46           HE3      MET  46  -1.204 -12.146  -5.915
  337    H    GLU  47           HN       GLU  47  -1.462  -4.857  -7.272
  338    HA   GLU  47           HA       GLU  47   0.209  -3.418  -8.989
  339    HB2  GLU  47           HB2      GLU  47  -2.625  -2.945  -8.130
  340    HB3  GLU  47           HB1      GLU  47  -1.899  -2.080  -9.470
  341    HG2  GLU  47           HG2      GLU  47  -1.520  -4.357 -10.522
  342    HG3  GLU  47           HG1      GLU  47  -2.531  -5.009  -9.231
  343    H    THR  48           HN       THR  48  -1.281  -2.514  -5.945
  344    HA   THR  48           HA       THR  48  -0.568   0.197  -5.891
  345    HB   THR  48           HB       THR  48  -1.064  -1.746  -3.617
  346    HG1  THR  48           HG1      THR  48  -2.870  -1.587  -4.951
  347   HG21  THR  48          HG21      THR  48  -1.164   1.287  -3.647
  348   HG22  THR  48          HG22      THR  48   0.056   0.306  -2.826
  349   HG23  THR  48          HG23      THR  48  -1.623   0.253  -2.294
  350    H    ALA  49           HN       ALA  49   1.028  -2.614  -4.312
  351    HA   ALA  49           HA       ALA  49   3.228  -1.142  -3.370
  352    HB1  ALA  49           HB1      ALA  49   4.319  -3.298  -3.034
  353    HB2  ALA  49           HB2      ALA  49   3.104  -4.085  -4.045
  354    HB3  ALA  49           HB3      ALA  49   2.638  -3.359  -2.505
  355    H    ALA  50           HN       ALA  50   2.625  -2.754  -6.427
  356    HA   ALA  50           HA       ALA  50   5.187  -2.689  -7.502
  357    HB1  ALA  50           HB1      ALA  50   4.133  -2.982  -9.659
  358    HB2  ALA  50           HB2      ALA  50   2.577  -2.488  -8.989
  359    HB3  ALA  50           HB3      ALA  50   3.339  -3.984  -8.444
  360    H    ARG  51           HN       ARG  51   2.686  -0.161  -7.524
  361    HA   ARG  51           HA       ARG  51   4.177   1.504  -9.305
  362    HB2  ARG  51           HB2      ARG  51   2.598   3.254  -8.878
  363    HB3  ARG  51           HB1      ARG  51   1.698   1.753  -8.940
  364    HG2  ARG  51           HG2      ARG  51   1.588   1.742  -6.474
  365    HG3  ARG  51           HG1      ARG  51   2.477   3.265  -6.446
  366    HD2  ARG  51           HD2      ARG  51   0.122   3.728  -6.197
  367    HD3  ARG  51           HD1      ARG  51   0.652   4.298  -7.779
  368    HE   ARG  51           HE       ARG  51  -1.024   1.987  -7.186
  369   HH11  ARG  51          HH11      ARG  51   0.064   4.435  -9.522
  370   HH12  ARG  51          HH12      ARG  51  -0.618   3.661 -10.881
  371   HH21  ARG  51          HH21      ARG  51  -1.983   0.930  -9.106
  372   HH22  ARG  51          HH22      ARG  51  -1.846   1.665 -10.637
  373    H    LEU  52           HN       LEU  52   4.294   0.875  -5.979
  374    HA   LEU  52           HA       LEU  52   5.790   3.239  -5.339
  375    HB2  LEU  52           HB2      LEU  52   5.136   0.804  -3.697
  376    HB3  LEU  52           HB1      LEU  52   5.954   2.242  -3.108
  377    HG   LEU  52           HG       LEU  52   3.140   2.184  -4.210
  378   HD11  LEU  52          HD11      LEU  52   4.100   2.379  -1.360
  379   HD12  LEU  52          HD12      LEU  52   3.272   1.004  -2.093
  380   HD13  LEU  52          HD13      LEU  52   2.429   2.543  -1.904
  381   HD21  LEU  52          HD21      LEU  52   4.694   4.383  -2.847
  382   HD22  LEU  52          HD22      LEU  52   2.999   4.467  -3.325
  383   HD23  LEU  52          HD23      LEU  52   4.256   4.323  -4.555
  384    H    GLU  53           HN       GLU  53   6.417  -0.044  -6.272
  385    HA   GLU  53           HA       GLU  53   8.973  -0.528  -5.320
  386    HB2  GLU  53           HB2      GLU  53   7.821  -1.249  -8.009
  387    HB3  GLU  53           HB1      GLU  53   9.362  -1.829  -7.425
  388    HG2  GLU  53           HG2      GLU  53   8.170  -2.952  -5.575
  389    HG3  GLU  53           HG1      GLU  53   6.644  -2.435  -6.315
  390    H    SER  54           HN       SER  54   8.178   0.781  -8.516
  391    HA   SER  54           HA       SER  54  10.919   1.353  -9.014
  392    HB2  SER  54           HB2      SER  54   8.462   2.082 -10.614
  393    HB3  SER  54           HB1      SER  54  10.132   2.136 -11.194
  394    HG   SER  54           HG       SER  54   9.993  -0.215 -10.280
  395    H    ARG  55           HN       ARG  55   8.295   3.081  -7.714
  396    HA   ARG  55           HA       ARG  55   9.246   5.702  -8.206
  397    HB2  ARG  55           HB2      ARG  55   6.901   5.164  -7.597
  398    HB3  ARG  55           HB1      ARG  55   7.442   4.727  -5.984
  399    HG2  ARG  55           HG2      ARG  55   8.196   7.035  -5.627
  400    HG3  ARG  55           HG1      ARG  55   7.619   7.459  -7.238
  401    HD2  ARG  55           HD2      ARG  55   5.939   6.433  -4.956
  402    HD3  ARG  55           HD1      ARG  55   5.998   8.096  -5.535
  403    HE   ARG  55           HE       ARG  55   5.265   6.183  -7.556
  404   HH11  ARG  55          HH11      ARG  55   4.050   8.381  -5.051
  405   HH12  ARG  55          HH12      ARG  55   2.431   8.316  -5.610
  406   HH21  ARG  55          HH21      ARG  55   3.049   6.138  -8.319
  407   HH22  ARG  55          HH22      ARG  55   1.854   7.025  -7.539
  408    H    TYR  56           HN       TYR  56   9.779   3.349  -5.609
  409    HA   TYR  56           HA       TYR  56  11.579   5.281  -4.351
  410    HB2  TYR  56           HB2      TYR  56  10.074   2.958  -3.149
  411    HB3  TYR  56           HB1      TYR  56  11.351   3.822  -2.291
  412    HD1  TYR  56           HD2      TYR  56   7.983   4.110  -3.731
  413    HD2  TYR  56           HD1      TYR  56  10.980   6.037  -1.419
  414    HE1  TYR  56           HE2      TYR  56   6.330   5.750  -2.971
  415    HE2  TYR  56           HE1      TYR  56   9.330   7.683  -0.652
  416    HH   TYR  56           HH       TYR  56   7.258   8.577  -1.218
  417    H    GLY  57           HN       GLY  57  11.842   2.882  -6.444
  418    HA2  GLY  57           HA2      GLY  57  13.780   1.957  -7.300
  419    HA3  GLY  57           HA1      GLY  57  14.664   2.655  -5.957
  420    H    VAL  58           HN       VAL  58  11.931   0.649  -5.348
  421    HA   VAL  58           HA       VAL  58  13.748  -1.463  -4.459
  422    HB   VAL  58           HB       VAL  58  12.117  -2.071  -2.678
  423   HG11  VAL  58          HG11      VAL  58  13.158   0.748  -2.532
  424   HG12  VAL  58          HG12      VAL  58  14.049  -0.717  -2.130
  425   HG13  VAL  58          HG13      VAL  58  12.663  -0.231  -1.152
  426   HG21  VAL  58          HG21      VAL  58  10.751   0.527  -3.431
  427   HG22  VAL  58          HG22      VAL  58  10.359  -0.462  -2.024
  428   HG23  VAL  58          HG23      VAL  58  10.085  -1.091  -3.644
  429    H    SER  59           HN       SER  59  12.419  -3.588  -4.083
  430    HA   SER  59           HA       SER  59  10.316  -3.849  -6.044
  431    HB2  SER  59           HB2      SER  59  12.454  -4.463  -7.209
  432    HB3  SER  59           HB1      SER  59  12.700  -5.727  -6.006
  433    HG   SER  59           HG       SER  59  10.315  -5.532  -7.465
  434    H    ILE  60           HN       ILE  60   8.762  -5.177  -5.393
  435    HA   ILE  60           HA       ILE  60   9.229  -6.920  -3.103
  436    HB   ILE  60           HB       ILE  60   7.000  -4.866  -3.304
  437   HG12  ILE  60          HG12      ILE  60   9.154  -5.328  -1.224
  438   HG13  ILE  60          HG11      ILE  60   9.104  -4.017  -2.391
  439   HG21  ILE  60          HG21      ILE  60   6.076  -5.808  -1.230
  440   HG22  ILE  60          HG22      ILE  60   7.258  -7.112  -1.302
  441   HG23  ILE  60          HG23      ILE  60   6.026  -6.970  -2.557
  442   HD11  ILE  60          HD11      ILE  60   7.097  -3.148  -1.316
  443   HD12  ILE  60          HD12      ILE  60   8.443  -3.273  -0.184
  444   HD13  ILE  60          HD13      ILE  60   7.151  -4.472  -0.154
  445    HA   PRO  61           HA       PRO  61   7.361  -9.752  -5.965
  446    HB2  PRO  61           HB2      PRO  61   7.078 -11.344  -3.468
  447    HB3  PRO  61           HB1      PRO  61   7.808 -11.794  -5.015
  448    HG2  PRO  61           HG2      PRO  61   9.361 -11.248  -2.959
  449    HG3  PRO  61           HG1      PRO  61   9.782 -10.634  -4.571
  450    HD2  PRO  61           HD2      PRO  61   8.508  -9.194  -2.274
  451    HD3  PRO  61           HD1      PRO  61   9.804  -8.653  -3.362
  452    H    ASP  62           HN       ASP  62   5.381 -10.687  -6.409
  453    HA   ASP  62           HA       ASP  62   3.130  -9.160  -5.841
  454    HB2  ASP  62           HB2      ASP  62   3.283 -11.947  -6.979
  455    HB3  ASP  62           HB1      ASP  62   1.825 -10.968  -6.955
  456    H    ASP  63           HN       ASP  63   3.996 -12.357  -4.571
  457    HA   ASP  63           HA       ASP  63   1.527 -12.728  -3.209
  458    HB2  ASP  63           HB2      ASP  63   4.178 -14.114  -2.774
  459    HB3  ASP  63           HB1      ASP  63   2.676 -14.583  -1.992
  460    H    VAL  64           HN       VAL  64   4.234 -10.910  -2.467
  461    HA   VAL  64           HA       VAL  64   3.910 -10.905   0.406
  462    HB   VAL  64           HB       VAL  64   5.372  -8.982  -1.411
  463   HG11  VAL  64          HG11      VAL  64   4.948  -8.041   0.799
  464   HG12  VAL  64          HG12      VAL  64   6.667  -8.393   0.615
  465   HG13  VAL  64          HG13      VAL  64   5.640  -9.469   1.565
  466   HG21  VAL  64          HG21      VAL  64   6.410 -11.401   0.058
  467   HG22  VAL  64          HG22      VAL  64   7.403 -10.242  -0.828
  468   HG23  VAL  64          HG23      VAL  64   6.223 -11.233  -1.687
  469    H    ALA  65           HN       ALA  65   3.347  -8.655  -2.257
  470    HA   ALA  65           HA       ALA  65   2.070  -6.609  -0.794
  471    HB1  ALA  65           HB1      ALA  65   1.746  -7.310  -3.704
  472    HB2  ALA  65           HB2      ALA  65   3.034  -6.310  -3.028
  473    HB3  ALA  65           HB3      ALA  65   1.358  -5.769  -2.941
  474    H    GLY  66           HN       GLY  66   0.811  -9.549  -2.193
  475    HA2  GLY  66           HA2      GLY  66  -1.928  -8.697  -1.674
  476    HA3  GLY  66           HA1      GLY  66  -1.437 -10.213  -2.412
  477    H    ARG  67           HN       ARG  67   0.373  -9.669   0.366
  478    HA   ARG  67           HA       ARG  67  -1.176 -11.717   1.794
  479    HB2  ARG  67           HB2      ARG  67   1.260 -12.025   1.261
  480    HB3  ARG  67           HB1      ARG  67   1.614 -10.668   2.307
  481    HG2  ARG  67           HG2      ARG  67   0.656 -11.950   4.201
  482    HG3  ARG  67           HG1      ARG  67   0.452 -13.324   3.108
  483    HD2  ARG  67           HD2      ARG  67   2.861 -13.302   2.653
  484    HD3  ARG  67           HD1      ARG  67   3.056 -11.955   3.772
  485    HE   ARG  67           HE       ARG  67   1.966 -14.528   4.638
  486   HH11  ARG  67          HH11      ARG  67   4.430 -11.962   4.952
  487   HH12  ARG  67          HH12      ARG  67   5.119 -12.644   6.364
  488   HH21  ARG  67          HH21      ARG  67   2.955 -15.402   6.615
  489   HH22  ARG  67          HH22      ARG  67   4.293 -14.585   7.298
  490    H    VAL  68           HN       VAL  68  -1.105  -8.477   1.716
  491    HA   VAL  68           HA       VAL  68  -1.059  -8.101   4.598
  492    HB   VAL  68           HB       VAL  68  -1.118  -5.653   4.127
  493   HG11  VAL  68          HG11      VAL  68   0.976  -6.821   4.489
  494   HG12  VAL  68          HG12      VAL  68   1.180  -5.532   3.304
  495   HG13  VAL  68          HG13      VAL  68   1.075  -7.209   2.772
  496   HG21  VAL  68          HG21      VAL  68  -2.229  -5.711   1.942
  497   HG22  VAL  68          HG22      VAL  68  -0.824  -6.524   1.250
  498   HG23  VAL  68          HG23      VAL  68  -0.681  -4.871   1.850
  499    H    ASP  69           HN       ASP  69  -2.743  -8.119   5.736
  500    HA   ASP  69           HA       ASP  69  -5.400  -8.047   4.621
  501    HB2  ASP  69           HB2      ASP  69  -4.905  -9.506   6.524
  502    HB3  ASP  69           HB1      ASP  69  -4.456  -8.112   7.494
  503    H    THR  70           HN       THR  70  -3.407  -5.876   6.595
  504    HA   THR  70           HA       THR  70  -5.385  -3.795   6.107
  505    HB   THR  70           HB       THR  70  -4.505  -2.755   8.246
  506    HG1  THR  70           HG1      THR  70  -3.538  -4.372   9.666
  507   HG21  THR  70          HG21      THR  70  -6.642  -3.945   8.204
  508   HG22  THR  70          HG22      THR  70  -5.801  -4.252   9.726
  509   HG23  THR  70          HG23      THR  70  -5.802  -5.477   8.452
  510    HA   PRO  71           HA       PRO  71  -2.396  -1.463   3.841
  511    HB2  PRO  71           HB2      PRO  71  -3.487   0.900   5.272
  512    HB3  PRO  71           HB1      PRO  71  -3.338   0.601   3.534
  513    HG2  PRO  71           HG2      PRO  71  -5.705   0.422   4.679
  514    HG3  PRO  71           HG1      PRO  71  -5.208  -0.790   3.481
  515    HD2  PRO  71           HD2      PRO  71  -5.240  -0.985   6.470
  516    HD3  PRO  71           HD1      PRO  71  -5.780  -2.169   5.258
  517    H    ARG  72           HN       ARG  72  -2.551  -1.107   7.296
  518    HA   ARG  72           HA       ARG  72  -0.328   0.539   7.688
  519    HB2  ARG  72           HB2      ARG  72  -1.961   0.010   9.459
  520    HB3  ARG  72           HB1      ARG  72  -1.428  -1.658   9.473
  521    HG2  ARG  72           HG2      ARG  72   0.681  -1.041  10.426
  522    HG3  ARG  72           HG1      ARG  72   0.325   0.676  10.220
  523    HD2  ARG  72           HD2      ARG  72  -1.308  -1.200  11.942
  524    HD3  ARG  72           HD1      ARG  72  -0.017  -0.169  12.560
  525    HE   ARG  72           HE       ARG  72  -1.438   1.690  11.506
  526   HH11  ARG  72          HH11      ARG  72  -2.788  -1.130  13.248
  527   HH12  ARG  72          HH12      ARG  72  -4.224  -0.330  13.699
  528   HH21  ARG  72          HH21      ARG  72  -3.410   2.781  12.160
  529   HH22  ARG  72          HH22      ARG  72  -4.586   1.965  13.064
  530    H    GLU  73           HN       GLU  73  -0.646  -2.900   7.060
  531    HA   GLU  73           HA       GLU  73   2.144  -3.445   7.480
  532    HB2  GLU  73           HB2      GLU  73  -0.050  -5.142   6.289
  533    HB3  GLU  73           HB1      GLU  73   1.589  -5.698   6.587
  534    HG2  GLU  73           HG2      GLU  73  -0.417  -4.805   8.642
  535    HG3  GLU  73           HG1      GLU  73   0.131  -6.454   8.341
  536    H    LEU  74           HN       LEU  74   0.041  -2.735   4.770
  537    HA   LEU  74           HA       LEU  74   1.878  -3.447   2.709
  538    HB2  LEU  74           HB2      LEU  74  -0.638  -3.019   2.456
  539    HB3  LEU  74           HB1      LEU  74  -0.283  -1.315   2.549
  540    HG   LEU  74           HG       LEU  74  -0.752  -2.167   0.243
  541   HD11  LEU  74          HD11      LEU  74   1.080  -1.037  -0.910
  542   HD12  LEU  74          HD12      LEU  74   2.007  -1.016   0.590
  543   HD13  LEU  74          HD13      LEU  74   0.502  -0.108   0.471
  544   HD21  LEU  74          HD21      LEU  74   1.869  -3.612   0.565
  545   HD22  LEU  74          HD22      LEU  74   0.969  -3.438  -0.941
  546   HD23  LEU  74          HD23      LEU  74   0.273  -4.347   0.401
  547    H    LEU  75           HN       LEU  75   1.246  -0.496   4.486
  548    HA   LEU  75           HA       LEU  75   3.084   1.282   3.333
  549    HB2  LEU  75           HB2      LEU  75   1.360   1.848   5.027
  550    HB3  LEU  75           HB1      LEU  75   2.262   0.958   6.229
  551    HG   LEU  75           HG       LEU  75   4.136   2.627   5.919
  552   HD11  LEU  75          HD11      LEU  75   3.542   3.428   3.727
  553   HD12  LEU  75          HD12      LEU  75   3.597   4.747   4.893
  554   HD13  LEU  75          HD13      LEU  75   2.040   4.106   4.358
  555   HD21  LEU  75          HD21      LEU  75   1.462   3.687   6.824
  556   HD22  LEU  75          HD22      LEU  75   3.037   4.359   7.245
  557   HD23  LEU  75          HD23      LEU  75   2.589   2.743   7.799
  558    H    ASP  76           HN       ASP  76   3.362  -0.987   5.990
  559    HA   ASP  76           HA       ASP  76   6.027  -0.515   6.690
  560    HB2  ASP  76           HB2      ASP  76   4.480  -1.520   8.248
  561    HB3  ASP  76           HB1      ASP  76   4.270  -2.911   7.195
  562    H    LEU  77           HN       LEU  77   4.640  -2.755   4.353
  563    HA   LEU  77           HA       LEU  77   6.901  -4.337   3.866
  564    HB2  LEU  77           HB2      LEU  77   4.865  -3.385   1.850
  565    HB3  LEU  77           HB1      LEU  77   6.035  -4.652   1.568
  566    HG   LEU  77           HG       LEU  77   3.718  -4.729   3.488
  567   HD11  LEU  77          HD11      LEU  77   3.099  -4.941   1.144
  568   HD12  LEU  77          HD12      LEU  77   2.898  -6.477   1.984
  569   HD13  LEU  77          HD13      LEU  77   4.285  -6.228   0.931
  570   HD21  LEU  77          HD21      LEU  77   5.802  -6.841   2.893
  571   HD22  LEU  77          HD22      LEU  77   4.370  -7.059   3.899
  572   HD23  LEU  77          HD23      LEU  77   5.642  -5.947   4.406
  573    H    ILE  78           HN       ILE  78   5.940  -1.282   2.395
  574    HA   ILE  78           HA       ILE  78   8.252  -1.066   0.736
  575    HB   ILE  78           HB       ILE  78   6.409   1.162   1.680
  576   HG12  ILE  78          HG12      ILE  78   5.168  -0.641   0.489
  577   HG13  ILE  78          HG11      ILE  78   5.176   0.873  -0.404
  578   HG21  ILE  78          HG21      ILE  78   8.309   1.009  -0.669
  579   HG22  ILE  78          HG22      ILE  78   8.527   1.980   0.787
  580   HG23  ILE  78          HG23      ILE  78   7.214   2.351  -0.329
  581   HD11  ILE  78          HD11      ILE  78   6.906  -1.531  -0.968
  582   HD12  ILE  78          HD12      ILE  78   6.944  -0.017  -1.860
  583   HD13  ILE  78          HD13      ILE  78   5.492  -1.021  -1.891
  584    H    ASN  79           HN       ASN  79   7.235   0.488   3.781
  585    HA   ASN  79           HA       ASN  79   9.489   2.034   4.292
  586    HB2  ASN  79           HB2      ASN  79   7.632   0.655   6.237
  587    HB3  ASN  79           HB1      ASN  79   8.924   1.723   6.756
  588   HD21  ASN  79          HD21      ASN  79   8.610   3.641   4.602
  589   HD22  ASN  79          HD22      ASN  79   7.103   4.443   4.895
  590    H    GLY  80           HN       GLY  80   8.895  -1.330   5.214
  591    HA2  GLY  80           HA2      GLY  80  11.269  -1.782   6.584
  592    HA3  GLY  80           HA1      GLY  80  10.278  -3.003   5.797
  593    H    ALA  81           HN       ALA  81  10.467  -2.333   3.174
  594    HA   ALA  81           HA       ALA  81  12.928  -3.443   2.407
  595    HB1  ALA  81           HB1      ALA  81  11.009  -1.822   0.725
  596    HB2  ALA  81           HB2      ALA  81  10.907  -3.559   1.013
  597    HB3  ALA  81           HB3      ALA  81  12.272  -2.892   0.112
  598    H    LEU  82           HN       LEU  82  11.797  -0.136   2.473
  599    HA   LEU  82           HA       LEU  82  14.133   1.052   1.393
  600    HB2  LEU  82           HB2      LEU  82  11.967   2.194   3.149
  601    HB3  LEU  82           HB1      LEU  82  13.220   3.142   2.382
  602    HG   LEU  82           HG       LEU  82  11.197   1.500   0.864
  603   HD11  LEU  82          HD11      LEU  82  11.249   4.456   1.445
  604   HD12  LEU  82          HD12      LEU  82  10.100   3.292   2.103
  605   HD13  LEU  82          HD13      LEU  82  10.117   3.633   0.374
  606   HD21  LEU  82          HD21      LEU  82  13.290   1.906  -0.321
  607   HD22  LEU  82          HD22      LEU  82  13.139   3.635  -0.006
  608   HD23  LEU  82          HD23      LEU  82  11.964   2.818  -1.038
  609    H    ALA  83           HN       ALA  83  13.084   0.305   4.679
  610    HA   ALA  83           HA       ALA  83  15.215   1.553   6.032
  611    HB1  ALA  83           HB1      ALA  83  14.591   0.143   7.925
  612    HB2  ALA  83           HB2      ALA  83  13.601  -0.858   6.863
  613    HB3  ALA  83           HB3      ALA  83  13.160   0.828   7.153
  614    H    GLU  84           HN       GLU  84  14.875  -1.563   4.502
  615    HA   GLU  84           HA       GLU  84  17.348  -2.590   5.498
  616    HB2  GLU  84           HB2      GLU  84  15.647  -3.562   3.188
  617    HB3  GLU  84           HB1      GLU  84  16.992  -4.442   3.908
  618    HG2  GLU  84           HG2      GLU  84  15.776  -4.450   6.063
  619    HG3  GLU  84           HG1      GLU  84  14.411  -3.692   5.252
  620    H    ALA  85           HN       ALA  85  16.570  -0.368   3.105
  621    HA   ALA  85           HA       ALA  85  19.073  -0.788   1.656
  622    HB1  ALA  85           HB1      ALA  85  18.228   0.938   0.120
  623    HB2  ALA  85           HB2      ALA  85  16.821   1.176   1.154
  624    HB3  ALA  85           HB3      ALA  85  17.051  -0.361   0.317
  625    H    ALA  86           HN       ALA  86  17.889   0.753   4.282
  626    HA   ALA  86           HA       ALA  86  18.450   2.388   5.689
  627    HB1  ALA  86           HB1      ALA  86  21.233   1.873   4.647
  628    HB2  ALA  86           HB2      ALA  86  20.416   0.923   5.888
  629    HB3  ALA  86           HB3      ALA  86  20.813   2.616   6.189
  630   H282  PNS  87          H28A      PNS  87  -8.307 -13.088  -2.821
  631   H281  PNS  87          H28B      PNS  87  -9.451 -12.083  -1.936
  632   H303  PNS  87          H30A      PNS  87 -10.795 -10.397  -3.157
  633   H302  PNS  87          H30B      PNS  87 -10.719 -10.319  -4.917
  634   H301  PNS  87          H30C      PNS  87  -9.343  -9.786  -3.950
  635   H313  PNS  87          H31A      PNS  87  -8.234 -13.059  -5.267
  636   H312  PNS  87          H31B      PNS  87  -7.867 -11.335  -5.224
  637   H311  PNS  87          H31C      PNS  87  -9.230 -11.922  -6.174
  638    H32  PNS  87          H32A      PNS  87 -10.315 -13.957  -4.025
  639    H33  PNS  87          H33A      PNS  87 -11.396 -13.868  -5.721
  640    H36  PNS  87          H36A      PNS  87 -13.106 -12.685  -4.551
  641   H372  PNS  87          H37A      PNS  87 -14.128 -12.961  -1.817
  642   H371  PNS  87          H37B      PNS  87 -14.326 -11.373  -2.549
  643   H382  PNS  87          H38A      PNS  87 -16.350 -12.641  -2.819
  644   H381  PNS  87          H38B      PNS  87 -15.598 -12.380  -4.396
  645    H41  PNS  87          H41A      PNS  87 -14.041 -14.709  -2.462
  646   H422  PNS  87          H42A      PNS  87 -15.537 -17.044  -3.282
  647   H421  PNS  87          H42B      PNS  87 -13.965 -16.821  -4.033
  648   H431  PNS  87          H43A      PNS  87 -13.631 -18.211  -2.139
  649   H432  PNS  87          H43B      PNS  87 -14.538 -17.102  -1.128
  650    H44  PNS  87           H1       PNS  87 -11.892 -16.908  -0.411
  Start of MODEL   12
    1    H1   MET   1           HT1      MET   1  19.897   4.531   2.258
    2    H2   MET   1           HT2      MET   1  18.888   4.786   3.563
    3    H3   MET   1           HT3      MET   1  20.534   4.905   3.793
    4    HA   MET   1           HA       MET   1  19.536   7.082   3.734
    5    HB2  MET   1           HB2      MET   1  21.093   6.451   1.212
    6    HB3  MET   1           HB1      MET   1  20.820   8.064   1.843
    7    HG2  MET   1           HG2      MET   1  22.096   7.512   3.838
    8    HG3  MET   1           HG1      MET   1  22.350   5.877   3.233
    9    HE1  MET   1           HE1      MET   1  24.707   7.801   4.191
   10    HE2  MET   1           HE2      MET   1  25.909   7.508   2.933
   11    HE3  MET   1           HE3      MET   1  24.972   6.164   3.589
   12    H    ALA   2           HN       ALA   2  17.472   5.246   2.714
   13    HA   ALA   2           HA       ALA   2  16.608   6.357   0.206
   14    HB1  ALA   2           HB1      ALA   2  15.330   4.296   1.997
   15    HB2  ALA   2           HB2      ALA   2  16.407   3.960   0.643
   16    HB3  ALA   2           HB3      ALA   2  14.830   4.699   0.353
   17    H    THR   3           HN       THR   3  14.083   6.687   0.179
   18    HA   THR   3           HA       THR   3  13.476   8.654   2.253
   19    HB   THR   3           HB       THR   3  13.869   9.798   0.191
   20    HG1  THR   3           HG1      THR   3  11.758  10.208   1.393
   21   HG21  THR   3          HG21      THR   3  12.705   9.295  -1.928
   22   HG22  THR   3          HG22      THR   3  11.963   7.887  -1.170
   23   HG23  THR   3          HG23      THR   3  13.712   7.950  -1.390
   24    H    LEU   4           HN       LEU   4  12.040   7.765   3.621
   25    HA   LEU   4           HA       LEU   4  10.282   5.637   2.865
   26    HB2  LEU   4           HB2      LEU   4  10.116   7.380   5.336
   27    HB3  LEU   4           HB1      LEU   4   9.347   5.846   5.081
   28    HG   LEU   4           HG       LEU   4  12.334   6.207   5.289
   29   HD11  LEU   4          HD11      LEU   4  12.077   5.224   7.511
   30   HD12  LEU   4          HD12      LEU   4  10.322   5.238   7.317
   31   HD13  LEU   4          HD13      LEU   4  11.215   6.754   7.386
   32   HD21  LEU   4          HD21      LEU   4  11.648   4.250   3.994
   33   HD22  LEU   4          HD22      LEU   4  10.594   3.747   5.315
   34   HD23  LEU   4          HD23      LEU   4  12.342   3.782   5.546
   35    H    LEU   5           HN       LEU   5   8.143   5.755   2.364
   36    HA   LEU   5           HA       LEU   5   7.125   8.356   1.745
   37    HB2  LEU   5           HB2      LEU   5   5.098   6.999   0.940
   38    HB3  LEU   5           HB1      LEU   5   6.579   6.957   0.028
   39    HG   LEU   5           HG       LEU   5   7.061   4.702   0.861
   40   HD11  LEU   5          HD11      LEU   5   6.017   4.839   3.066
   41   HD12  LEU   5          HD12      LEU   5   5.432   3.451   2.149
   42   HD13  LEU   5          HD13      LEU   5   4.428   4.894   2.305
   43   HD21  LEU   5          HD21      LEU   5   5.213   3.553  -0.245
   44   HD22  LEU   5          HD22      LEU   5   5.786   4.962  -1.145
   45   HD23  LEU   5          HD23      LEU   5   4.295   5.063  -0.216
   46    H    THR   6           HN       THR   6   4.965   9.043   2.380
   47    HA   THR   6           HA       THR   6   4.664   8.599   5.208
   48    HB   THR   6           HB       THR   6   3.126  10.598   4.940
   49    HG1  THR   6           HG1      THR   6   3.486  11.742   2.916
   50   HG21  THR   6          HG21      THR   6   6.017  10.901   4.066
   51   HG22  THR   6          HG22      THR   6   5.461  10.808   5.736
   52   HG23  THR   6          HG23      THR   6   5.006  12.184   4.732
   53    H    THR   7           HN       THR   7   2.081   9.204   5.654
   54    HA   THR   7           HA       THR   7   0.677   6.844   4.969
   55    HB   THR   7           HB       THR   7  -0.511   9.356   6.138
   56    HG1  THR   7           HG1      THR   7   0.889   7.419   7.715
   57   HG21  THR   7          HG21      THR   7  -1.975   7.411   5.738
   58   HG22  THR   7          HG22      THR   7  -1.780   7.719   7.466
   59   HG23  THR   7          HG23      THR   7  -0.894   6.403   6.701
   60    H    ASP   8           HN       ASP   8   0.477  10.299   4.127
   61    HA   ASP   8           HA       ASP   8  -1.750  10.177   2.415
   62    HB2  ASP   8           HB2      ASP   8  -0.936  12.311   3.279
   63    HB3  ASP   8           HB1      ASP   8   0.575  12.118   2.404
   64    H    ASP   9           HN       ASP   9   1.645   9.561   1.841
   65    HA   ASP   9           HA       ASP   9   1.358   9.463  -1.000
   66    HB2  ASP   9           HB2      ASP   9   3.570   9.804   0.211
   67    HB3  ASP   9           HB1      ASP   9   3.524   8.087   0.582
   68    H    LEU  10           HN       LEU  10   1.446   6.995   1.548
   69    HA   LEU  10           HA       LEU  10   1.024   4.698   0.012
   70    HB2  LEU  10           HB2      LEU  10   1.424   4.619   2.427
   71    HB3  LEU  10           HB1      LEU  10  -0.113   5.407   2.724
   72    HG   LEU  10           HG       LEU  10  -1.223   3.414   1.662
   73   HD11  LEU  10          HD11      LEU  10   0.027   1.322   1.577
   74   HD12  LEU  10          HD12      LEU  10   1.511   2.205   1.932
   75   HD13  LEU  10          HD13      LEU  10   0.632   2.521   0.433
   76   HD21  LEU  10          HD21      LEU  10  -1.032   2.022   3.672
   77   HD22  LEU  10          HD22      LEU  10  -1.197   3.732   4.073
   78   HD23  LEU  10          HD23      LEU  10   0.381   2.951   4.173
   79    H    ARG  11           HN       ARG  11  -1.238   6.939   1.429
   80    HA   ARG  11           HA       ARG  11  -3.696   5.992   0.633
   81    HB2  ARG  11           HB2      ARG  11  -3.419   7.815   2.148
   82    HB3  ARG  11           HB1      ARG  11  -2.629   8.782   0.918
   83    HG2  ARG  11           HG2      ARG  11  -4.774   8.794  -0.328
   84    HG3  ARG  11           HG1      ARG  11  -5.518   8.011   1.075
   85    HD2  ARG  11           HD2      ARG  11  -4.846   9.831   2.493
   86    HD3  ARG  11           HD1      ARG  11  -3.992  10.595   1.152
   87    HE   ARG  11           HE       ARG  11  -6.785  10.092   0.713
   88   HH11  ARG  11          HH11      ARG  11  -4.301  12.490   1.642
   89   HH12  ARG  11          HH12      ARG  11  -5.419  13.786   1.631
   90   HH21  ARG  11          HH21      ARG  11  -8.189  11.886   0.568
   91   HH22  ARG  11          HH22      ARG  11  -7.656  13.469   0.899
   92    H    ARG  12           HN       ARG  12  -1.621   8.308  -1.114
   93    HA   ARG  12           HA       ARG  12  -3.154   8.660  -3.424
   94    HB2  ARG  12           HB2      ARG  12  -0.172   8.722  -3.040
   95    HB3  ARG  12           HB1      ARG  12  -0.978   9.211  -4.523
   96    HG2  ARG  12           HG2      ARG  12  -2.096  10.996  -3.382
   97    HG3  ARG  12           HG1      ARG  12  -1.462  10.444  -1.828
   98    HD2  ARG  12           HD2      ARG  12  -0.201  12.346  -2.670
   99    HD3  ARG  12           HD1      ARG  12   0.802  10.903  -2.578
  100    HE   ARG  12           HE       ARG  12  -0.125  10.920  -5.139
  101   HH11  ARG  12          HH11      ARG  12   1.349  13.468  -3.254
  102   HH12  ARG  12          HH12      ARG  12   2.445  13.987  -4.463
  103   HH21  ARG  12          HH21      ARG  12   1.277  11.633  -6.874
  104   HH22  ARG  12          HH22      ARG  12   2.387  12.893  -6.604
  105    H    ALA  13           HN       ALA  13  -0.635   6.308  -2.737
  106    HA   ALA  13           HA       ALA  13  -0.730   5.067  -5.280
  107    HB1  ALA  13           HB1      ALA  13   0.314   4.000  -2.673
  108    HB2  ALA  13           HB2      ALA  13   1.228   4.967  -3.832
  109    HB3  ALA  13           HB3      ALA  13   0.660   3.356  -4.277
  110    H    LEU  14           HN       LEU  14  -2.550   4.695  -2.389
  111    HA   LEU  14           HA       LEU  14  -3.516   2.076  -3.065
  112    HB2  LEU  14           HB2      LEU  14  -3.166   3.125  -0.750
  113    HB3  LEU  14           HB1      LEU  14  -4.672   3.970  -1.028
  114    HG   LEU  14           HG       LEU  14  -5.815   1.772  -1.225
  115   HD11  LEU  14          HD11      LEU  14  -3.902   0.438  -1.932
  116   HD12  LEU  14          HD12      LEU  14  -4.635  -0.238  -0.477
  117   HD13  LEU  14          HD13      LEU  14  -3.136   0.685  -0.362
  118   HD21  LEU  14          HD21      LEU  14  -4.268   2.216   1.329
  119   HD22  LEU  14          HD22      LEU  14  -5.731   1.243   1.167
  120   HD23  LEU  14          HD23      LEU  14  -5.796   2.984   0.895
  121    H    VAL  15           HN       VAL  15  -4.839   5.378  -2.993
  122    HA   VAL  15           HA       VAL  15  -7.435   4.776  -3.878
  123    HB   VAL  15           HB       VAL  15  -5.941   7.421  -4.147
  124   HG11  VAL  15          HG11      VAL  15  -7.873   7.409  -5.634
  125   HG12  VAL  15          HG12      VAL  15  -8.137   8.501  -4.273
  126   HG13  VAL  15          HG13      VAL  15  -8.915   6.918  -4.299
  127   HG21  VAL  15          HG21      VAL  15  -6.106   6.667  -1.849
  128   HG22  VAL  15          HG22      VAL  15  -7.851   6.458  -2.030
  129   HG23  VAL  15          HG23      VAL  15  -7.139   8.070  -2.122
  130    H    GLU  16           HN       GLU  16  -4.543   4.848  -5.681
  131    HA   GLU  16           HA       GLU  16  -5.664   5.498  -8.204
  132    HB2  GLU  16           HB2      GLU  16  -3.196   5.532  -7.683
  133    HB3  GLU  16           HB1      GLU  16  -3.220   3.776  -7.728
  134    HG2  GLU  16           HG2      GLU  16  -3.955   3.857 -10.074
  135    HG3  GLU  16           HG1      GLU  16  -3.878   5.615 -10.026
  136    H    SER  17           HN       SER  17  -5.538   2.569  -6.316
  137    HA   SER  17           HA       SER  17  -6.665   1.100  -8.523
  138    HB2  SER  17           HB2      SER  17  -6.685  -0.796  -6.651
  139    HB3  SER  17           HB1      SER  17  -5.213  -0.372  -7.527
  140    HG   SER  17           HG       SER  17  -5.814   0.945  -5.075
  141    H    ALA  18           HN       ALA  18  -7.753   2.064  -5.214
  142    HA   ALA  18           HA       ALA  18 -10.405   1.694  -6.318
  143    HB1  ALA  18           HB1      ALA  18  -9.655   1.227  -3.439
  144    HB2  ALA  18           HB2      ALA  18  -9.985  -0.032  -4.629
  145    HB3  ALA  18           HB3      ALA  18 -11.265   1.082  -4.142
  146    H    GLY  19           HN       GLY  19 -10.698   3.542  -6.927
  147    HA2  GLY  19           HA2      GLY  19 -11.454   5.543  -4.976
  148    HA3  GLY  19           HA1      GLY  19 -10.288   6.048  -6.211
  149    H    GLU  20           HN       GLU  20 -12.945   3.801  -6.308
  150    HA   GLU  20           HA       GLU  20 -13.847   4.965  -8.846
  151    HB2  GLU  20           HB2      GLU  20 -14.489   2.280  -7.615
  152    HB3  GLU  20           HB1      GLU  20 -14.721   2.778  -9.285
  153    HG2  GLU  20           HG2      GLU  20 -12.291   2.903  -9.570
  154    HG3  GLU  20           HG1      GLU  20 -12.090   2.343  -7.909
  155    H    THR  21           HN       THR  21 -16.394   3.384  -8.401
  156    HA   THR  21           HA       THR  21 -17.779   5.368  -6.854
  157    HB   THR  21           HB       THR  21 -18.858   2.797  -7.938
  158    HG1  THR  21           HG1      THR  21 -17.769   4.567  -9.425
  159   HG21  THR  21          HG21      THR  21 -20.258   3.946  -6.330
  160   HG22  THR  21          HG22      THR  21 -21.007   4.046  -7.934
  161   HG23  THR  21          HG23      THR  21 -20.146   5.439  -7.255
  162    H    ASP  22           HN       ASP  22 -16.449   4.819  -5.164
  163    HA   ASP  22           HA       ASP  22 -17.805   3.193  -3.215
  164    HB2  ASP  22           HB2      ASP  22 -15.572   2.259  -2.352
  165    HB3  ASP  22           HB1      ASP  22 -16.128   1.570  -3.865
  166    H    GLY  23           HN       GLY  23 -14.769   4.949  -3.498
  167    HA2  GLY  23           HA2      GLY  23 -13.950   6.807  -2.506
  168    HA3  GLY  23           HA1      GLY  23 -15.590   7.459  -2.606
  169    H    THR  24           HN       THR  24 -14.158   4.817  -0.810
  170    HA   THR  24           HA       THR  24 -15.521   5.466   1.583
  171    HB   THR  24           HB       THR  24 -14.756   3.158   1.091
  172    HG1  THR  24           HG1      THR  24 -14.249   2.658   3.130
  173   HG21  THR  24          HG21      THR  24 -11.960   4.245   1.483
  174   HG22  THR  24          HG22      THR  24 -12.642   3.655  -0.032
  175   HG23  THR  24          HG23      THR  24 -12.377   2.539   1.308
  176    H    ASP  25           HN       ASP  25 -14.518   6.299   3.583
  177    HA   ASP  25           HA       ASP  25 -12.708   8.436   2.936
  178    HB2  ASP  25           HB2      ASP  25 -14.513   8.821   4.585
  179    HB3  ASP  25           HB1      ASP  25 -13.773   7.636   5.655
  180    H    LEU  26           HN       LEU  26 -10.882   7.781   2.386
  181    HA   LEU  26           HA       LEU  26  -9.426   5.739   3.896
  182    HB2  LEU  26           HB2      LEU  26 -10.142   5.551   1.434
  183    HB3  LEU  26           HB1      LEU  26  -8.993   6.819   1.118
  184    HG   LEU  26           HG       LEU  26  -7.151   5.364   1.791
  185   HD11  LEU  26          HD11      LEU  26  -8.346   4.057   3.496
  186   HD12  LEU  26          HD12      LEU  26  -7.578   3.003   2.309
  187   HD13  LEU  26          HD13      LEU  26  -9.317   3.296   2.236
  188   HD21  LEU  26          HD21      LEU  26  -9.091   4.115  -0.153
  189   HD22  LEU  26          HD22      LEU  26  -7.365   3.746  -0.062
  190   HD23  LEU  26          HD23      LEU  26  -7.911   5.362  -0.525
  191    H    SER  27           HN       SER  27  -9.705   8.484   4.689
  192    HA   SER  27           HA       SER  27  -7.003   9.573   4.314
  193    HB2  SER  27           HB2      SER  27  -9.531  11.042   5.081
  194    HB3  SER  27           HB1      SER  27  -7.982  11.758   4.649
  195    HG   SER  27           HG       SER  27  -9.506  11.819   2.939
  196    H    GLY  28           HN       GLY  28  -6.302  10.847   6.368
  197    HA2  GLY  28           HA2      GLY  28  -6.109  11.117   8.616
  198    HA3  GLY  28           HA1      GLY  28  -7.663  10.322   8.816
  199    H    ASP  29           HN       ASP  29  -7.514   8.635  10.061
  200    HA   ASP  29           HA       ASP  29  -5.045   7.027  10.065
  201    HB2  ASP  29           HB2      ASP  29  -5.857   8.136  12.226
  202    HB3  ASP  29           HB1      ASP  29  -7.249   7.068  12.156
  203    H    PHE  30           HN       PHE  30  -5.332   5.464   8.619
  204    HA   PHE  30           HA       PHE  30  -7.898   3.995   8.582
  205    HB2  PHE  30           HB2      PHE  30  -7.897   3.997   6.115
  206    HB3  PHE  30           HB1      PHE  30  -8.018   5.617   6.783
  207    HD1  PHE  30           HD1      PHE  30  -6.107   7.172   6.593
  208    HD2  PHE  30           HD2      PHE  30  -6.009   3.316   4.793
  209    HE1  PHE  30           HE1      PHE  30  -4.216   7.878   5.189
  210    HE2  PHE  30           HE2      PHE  30  -4.116   4.018   3.391
  211    HZ   PHE  30           HZ       PHE  30  -3.218   6.299   3.586
  212    H    LEU  31           HN       LEU  31  -4.847   3.573   9.224
  213    HA   LEU  31           HA       LEU  31  -3.983   1.543   7.438
  214    HB2  LEU  31           HB2      LEU  31  -2.933   2.791   9.885
  215    HB3  LEU  31           HB1      LEU  31  -2.422   1.139   9.604
  216    HG   LEU  31           HG       LEU  31  -1.338   1.703   7.570
  217   HD11  LEU  31          HD11      LEU  31  -2.444   4.491   7.837
  218   HD12  LEU  31          HD12      LEU  31  -2.947   3.268   6.660
  219   HD13  LEU  31          HD13      LEU  31  -1.301   3.905   6.622
  220   HD21  LEU  31          HD21      LEU  31  -0.782   3.804   9.639
  221   HD22  LEU  31          HD22      LEU  31   0.303   3.333   8.328
  222   HD23  LEU  31          HD23      LEU  31  -0.109   2.175   9.592
  223    H    ASP  32           HN       ASP  32  -6.160   1.402   9.989
  224    HA   ASP  32           HA       ASP  32  -5.731  -1.474  10.373
  225    HB2  ASP  32           HB2      ASP  32  -7.069  -1.353  12.342
  226    HB3  ASP  32           HB1      ASP  32  -5.984   0.027  12.383
  227    H    LEU  33           HN       LEU  33  -7.459   0.418   8.309
  228    HA   LEU  33           HA       LEU  33  -9.971  -1.002   8.350
  229    HB2  LEU  33           HB2      LEU  33  -8.742   0.798   6.255
  230    HB3  LEU  33           HB1      LEU  33 -10.350   0.125   6.155
  231    HG   LEU  33           HG       LEU  33  -9.406   2.089   8.246
  232   HD11  LEU  33          HD11      LEU  33 -10.864   3.660   7.066
  233   HD12  LEU  33          HD12      LEU  33 -11.211   2.430   5.853
  234   HD13  LEU  33          HD13      LEU  33  -9.578   3.070   6.014
  235   HD21  LEU  33          HD21      LEU  33 -11.145   0.581   9.073
  236   HD22  LEU  33          HD22      LEU  33 -12.146   0.961   7.670
  237   HD23  LEU  33          HD23      LEU  33 -11.769   2.215   8.853
  238    H    ARG  34           HN       ARG  34 -10.159  -3.009   7.645
  239    HA   ARG  34           HA       ARG  34  -8.043  -4.301   6.247
  240    HB2  ARG  34           HB2      ARG  34 -10.881  -5.271   6.591
  241    HB3  ARG  34           HB1      ARG  34  -9.529  -6.237   6.026
  242    HG2  ARG  34           HG2      ARG  34  -8.436  -5.749   8.242
  243    HG3  ARG  34           HG1      ARG  34 -10.006  -5.127   8.767
  244    HD2  ARG  34           HD2      ARG  34  -9.371  -7.908   7.786
  245    HD3  ARG  34           HD1      ARG  34  -9.785  -7.439   9.430
  246    HE   ARG  34           HE       ARG  34 -11.921  -6.636   7.971
  247   HH11  ARG  34          HH11      ARG  34 -10.231  -9.761   8.249
  248   HH12  ARG  34          HH12      ARG  34 -11.616 -10.703   7.971
  249   HH21  ARG  34          HH21      ARG  34 -13.856  -7.969   7.575
  250   HH22  ARG  34          HH22      ARG  34 -13.716  -9.666   7.614
  251    H    PHE  35           HN       PHE  35  -7.910  -5.013   4.193
  252    HA   PHE  35           HA       PHE  35  -8.948  -3.284   2.237
  253    HB2  PHE  35           HB2      PHE  35  -7.478  -5.904   1.956
  254    HB3  PHE  35           HB1      PHE  35  -7.904  -4.871   0.593
  255    HD1  PHE  35           HD2      PHE  35  -7.237  -2.266   1.144
  256    HD2  PHE  35           HD1      PHE  35  -5.312  -5.741   2.631
  257    HE1  PHE  35           HE2      PHE  35  -5.185  -0.972   1.505
  258    HE2  PHE  35           HE1      PHE  35  -3.253  -4.456   3.000
  259    HZ   PHE  35           HZ       PHE  35  -3.199  -2.032   2.384
  260    H    GLU  36           HN       GLU  36 -10.064  -6.255   3.510
  261    HA   GLU  36           HA       GLU  36 -11.947  -6.989   1.570
  262    HB2  GLU  36           HB2      GLU  36 -12.084  -7.227   4.576
  263    HB3  GLU  36           HB1      GLU  36 -13.167  -8.046   3.457
  264    HG2  GLU  36           HG2      GLU  36 -10.188  -8.406   3.516
  265    HG3  GLU  36           HG1      GLU  36 -11.346  -9.463   4.322
  266    H    ASP  37           HN       ASP  37 -12.163  -4.711   4.269
  267    HA   ASP  37           HA       ASP  37 -14.943  -4.127   3.942
  268    HB2  ASP  37           HB2      ASP  37 -13.654  -3.770   6.070
  269    HB3  ASP  37           HB1      ASP  37 -12.847  -2.415   5.289
  270    H    ILE  38           HN       ILE  38 -11.944  -2.615   2.957
  271    HA   ILE  38           HA       ILE  38 -13.401  -0.473   1.697
  272    HB   ILE  38           HB       ILE  38 -11.162   0.501   1.126
  273   HG12  ILE  38          HG12      ILE  38 -10.134  -1.796   2.809
  274   HG13  ILE  38          HG11      ILE  38  -9.905  -1.634   1.077
  275   HG21  ILE  38          HG21      ILE  38 -10.628   1.130   3.446
  276   HG22  ILE  38          HG22      ILE  38 -11.655  -0.189   4.019
  277   HG23  ILE  38          HG23      ILE  38 -12.367   1.158   3.136
  278   HD11  ILE  38          HD11      ILE  38  -8.605   0.415   1.466
  279   HD12  ILE  38          HD12      ILE  38  -7.915  -1.009   2.231
  280   HD13  ILE  38          HD13      ILE  38  -8.787   0.179   3.211
  281    H    GLY  39           HN       GLY  39 -13.197  -3.340   0.681
  282    HA2  GLY  39           HA2      GLY  39 -13.606  -4.304  -1.378
  283    HA3  GLY  39           HA1      GLY  39 -13.833  -2.680  -1.985
  284    H    TYR  40           HN       TYR  40 -10.917  -4.408  -0.772
  285    HA   TYR  40           HA       TYR  40  -9.672  -3.673  -3.263
  286    HB2  TYR  40           HB2      TYR  40  -8.787  -3.889  -0.493
  287    HB3  TYR  40           HB1      TYR  40  -7.620  -4.381  -1.700
  288    HD1  TYR  40           HD1      TYR  40  -9.813  -1.640  -0.609
  289    HD2  TYR  40           HD2      TYR  40  -6.481  -2.745  -2.974
  290    HE1  TYR  40           HE1      TYR  40  -9.340   0.721  -1.011
  291    HE2  TYR  40           HE2      TYR  40  -5.976  -0.402  -3.393
  292    HH   TYR  40           HH       TYR  40  -7.555   2.144  -1.669
  293    H    ASP  41           HN       ASP  41  -8.160  -5.055  -4.140
  294    HA   ASP  41           HA       ASP  41  -8.821  -7.935  -3.988
  295    HB2  ASP  41           HB2      ASP  41  -9.323  -6.552  -6.161
  296    HB3  ASP  41           HB1      ASP  41  -7.563  -6.392  -6.200
  297    H    SER  42           HN       SER  42  -6.920  -9.211  -4.394
  298    HA   SER  42           HA       SER  42  -4.590  -8.348  -2.992
  299    HB2  SER  42           HB2      SER  42  -4.870 -10.722  -4.845
  300    HB3  SER  42           HB1      SER  42  -3.649 -10.493  -3.586
  301    H    LEU  43           HN       LEU  43  -5.498  -8.728  -6.374
  302    HA   LEU  43           HA       LEU  43  -2.926  -8.171  -7.454
  303    HB2  LEU  43           HB2      LEU  43  -5.651  -7.866  -8.729
  304    HB3  LEU  43           HB1      LEU  43  -4.124  -7.855  -9.589
  305    HG   LEU  43           HG       LEU  43  -5.295 -10.210  -8.101
  306   HD11  LEU  43          HD11      LEU  43  -6.489  -9.709 -10.145
  307   HD12  LEU  43          HD12      LEU  43  -5.556 -11.196 -10.298
  308   HD13  LEU  43          HD13      LEU  43  -4.971  -9.707 -11.047
  309   HD21  LEU  43          HD21      LEU  43  -2.796 -10.012  -9.777
  310   HD22  LEU  43          HD22      LEU  43  -3.465 -11.492  -9.088
  311   HD23  LEU  43          HD23      LEU  43  -2.857 -10.220  -8.026
  312    H    ALA  44           HN       ALA  44  -5.623  -6.253  -6.448
  313    HA   ALA  44           HA       ALA  44  -4.773  -3.773  -7.560
  314    HB1  ALA  44           HB1      ALA  44  -6.545  -4.278  -5.163
  315    HB2  ALA  44           HB2      ALA  44  -7.092  -4.144  -6.835
  316    HB3  ALA  44           HB3      ALA  44  -6.385  -2.746  -6.020
  317    H    LEU  45           HN       LEU  45  -4.169  -5.460  -4.548
  318    HA   LEU  45           HA       LEU  45  -2.755  -3.347  -3.298
  319    HB2  LEU  45           HB2      LEU  45  -2.638  -6.320  -2.827
  320    HB3  LEU  45           HB1      LEU  45  -1.937  -5.110  -1.771
  321    HG   LEU  45           HG       LEU  45  -4.866  -5.425  -2.364
  322   HD11  LEU  45          HD11      LEU  45  -3.979  -7.220  -0.979
  323   HD12  LEU  45          HD12      LEU  45  -5.007  -6.134  -0.038
  324   HD13  LEU  45          HD13      LEU  45  -3.252  -6.029   0.099
  325   HD21  LEU  45          HD21      LEU  45  -4.241  -3.112  -1.992
  326   HD22  LEU  45          HD22      LEU  45  -3.380  -3.573  -0.525
  327   HD23  LEU  45          HD23      LEU  45  -5.136  -3.744  -0.603
  328    H    MET  46           HN       MET  46  -1.878  -6.108  -5.247
  329    HA   MET  46           HA       MET  46   0.928  -5.855  -5.152
  330    HB2  MET  46           HB2      MET  46  -0.797  -6.926  -7.401
  331    HB3  MET  46           HB1      MET  46   0.936  -7.177  -7.248
  332    HG2  MET  46           HG2      MET  46   0.629  -8.482  -5.258
  333    HG3  MET  46           HG1      MET  46  -1.091  -8.107  -5.231
  334    HE1  MET  46           HE1      MET  46  -1.233 -11.893  -6.117
  335    HE2  MET  46           HE2      MET  46  -1.871 -10.606  -5.090
  336    HE3  MET  46           HE3      MET  46  -0.177 -11.082  -4.960
  337    H    GLU  47           HN       GLU  47  -1.504  -4.539  -7.363
  338    HA   GLU  47           HA       GLU  47   0.141  -3.089  -9.084
  339    HB2  GLU  47           HB2      GLU  47  -2.307  -3.495  -9.376
  340    HB3  GLU  47           HB1      GLU  47  -2.624  -2.351  -8.087
  341    HG2  GLU  47           HG2      GLU  47  -1.581  -0.578  -9.442
  342    HG3  GLU  47           HG1      GLU  47  -1.354  -1.743 -10.745
  343    H    THR  48           HN       THR  48  -1.329  -2.204  -6.011
  344    HA   THR  48           HA       THR  48  -0.489   0.435  -5.783
  345    HB   THR  48           HB       THR  48  -0.971  -1.627  -3.605
  346    HG1  THR  48           HG1      THR  48  -2.861  -1.315  -4.773
  347   HG21  THR  48          HG21      THR  48  -0.946   1.395  -3.441
  348   HG22  THR  48          HG22      THR  48   0.270   0.326  -2.737
  349   HG23  THR  48          HG23      THR  48  -1.390   0.298  -2.134
  350    H    ALA  49           HN       ALA  49   1.096  -2.514  -4.538
  351    HA   ALA  49           HA       ALA  49   3.358  -1.158  -3.556
  352    HB1  ALA  49           HB1      ALA  49   2.723  -3.389  -2.783
  353    HB2  ALA  49           HB2      ALA  49   4.388  -3.351  -3.358
  354    HB3  ALA  49           HB3      ALA  49   3.123  -4.053  -4.367
  355    H    ALA  50           HN       ALA  50   2.715  -2.727  -6.670
  356    HA   ALA  50           HA       ALA  50   5.272  -2.654  -7.755
  357    HB1  ALA  50           HB1      ALA  50   4.219  -2.853  -9.931
  358    HB2  ALA  50           HB2      ALA  50   2.674  -2.334  -9.255
  359    HB3  ALA  50           HB3      ALA  50   3.386  -3.868  -8.755
  360    H    ARG  51           HN       ARG  51   2.810  -0.121  -7.820
  361    HA   ARG  51           HA       ARG  51   4.442   1.592  -9.410
  362    HB2  ARG  51           HB2      ARG  51   2.770   3.406  -8.790
  363    HB3  ARG  51           HB1      ARG  51   2.142   2.004  -9.635
  364    HG2  ARG  51           HG2      ARG  51   1.417   1.111  -7.411
  365    HG3  ARG  51           HG1      ARG  51   1.855   2.677  -6.729
  366    HD2  ARG  51           HD2      ARG  51   0.230   3.807  -7.994
  367    HD3  ARG  51           HD1      ARG  51  -0.008   2.428  -9.071
  368    HE   ARG  51           HE       ARG  51  -0.796   2.387  -6.229
  369   HH11  ARG  51          HH11      ARG  51  -1.737   2.101  -9.597
  370   HH12  ARG  51          HH12      ARG  51  -3.052   1.045  -9.297
  371   HH21  ARG  51          HH21      ARG  51  -2.679   1.064  -5.777
  372   HH22  ARG  51          HH22      ARG  51  -3.637   0.510  -7.041
  373    H    LEU  52           HN       LEU  52   4.296   0.959  -6.086
  374    HA   LEU  52           HA       LEU  52   5.723   3.345  -5.345
  375    HB2  LEU  52           HB2      LEU  52   4.992   0.873  -3.792
  376    HB3  LEU  52           HB1      LEU  52   5.845   2.236  -3.097
  377    HG   LEU  52           HG       LEU  52   3.066   2.317  -4.262
  378   HD11  LEU  52          HD11      LEU  52   2.348   2.652  -1.952
  379   HD12  LEU  52          HD12      LEU  52   4.010   2.434  -1.404
  380   HD13  LEU  52          HD13      LEU  52   3.150   1.094  -2.162
  381   HD21  LEU  52          HD21      LEU  52   4.252   4.425  -4.570
  382   HD22  LEU  52          HD22      LEU  52   4.688   4.444  -2.861
  383   HD23  LEU  52          HD23      LEU  52   2.997   4.592  -3.340
  384    H    GLU  53           HN       GLU  53   6.433  -0.081  -5.830
  385    HA   GLU  53           HA       GLU  53   9.074  -0.272  -5.029
  386    HB2  GLU  53           HB2      GLU  53   7.870  -1.417  -7.539
  387    HB3  GLU  53           HB1      GLU  53   9.414  -1.877  -6.872
  388    HG2  GLU  53           HG2      GLU  53   8.262  -2.791  -4.919
  389    HG3  GLU  53           HG1      GLU  53   6.710  -2.352  -5.661
  390    H    SER  54           HN       SER  54   7.815   0.719  -8.128
  391    HA   SER  54           HA       SER  54  10.167   1.183  -9.489
  392    HB2  SER  54           HB2      SER  54   8.042   0.988 -10.612
  393    HB3  SER  54           HB1      SER  54   7.435   2.427  -9.805
  394    HG   SER  54           HG       SER  54   9.371   2.193 -11.841
  395    H    ARG  55           HN       ARG  55   8.304   3.434  -7.454
  396    HA   ARG  55           HA       ARG  55   9.940   5.674  -8.217
  397    HB2  ARG  55           HB2      ARG  55   7.545   5.921  -7.545
  398    HB3  ARG  55           HB1      ARG  55   8.000   5.490  -5.902
  399    HG2  ARG  55           HG2      ARG  55   9.600   7.437  -5.966
  400    HG3  ARG  55           HG1      ARG  55   8.806   7.936  -7.458
  401    HD2  ARG  55           HD2      ARG  55   7.538   7.616  -4.741
  402    HD3  ARG  55           HD1      ARG  55   7.918   9.129  -5.540
  403    HE   ARG  55           HE       ARG  55   6.208   7.953  -7.282
  404   HH11  ARG  55          HH11      ARG  55   6.051   8.510  -3.778
  405   HH12  ARG  55          HH12      ARG  55   4.396   8.706  -3.718
  406   HH21  ARG  55          HH21      ARG  55   3.935   8.203  -7.240
  407   HH22  ARG  55          HH22      ARG  55   3.108   8.514  -5.778
  408    H    TYR  56           HN       TYR  56   9.813   3.453  -5.500
  409    HA   TYR  56           HA       TYR  56  11.812   5.063  -4.161
  410    HB2  TYR  56           HB2      TYR  56  10.084   2.837  -3.100
  411    HB3  TYR  56           HB1      TYR  56  11.316   3.677  -2.144
  412    HD1  TYR  56           HD1      TYR  56  11.102   6.076  -1.688
  413    HD2  TYR  56           HD2      TYR  56   7.987   3.925  -3.604
  414    HE1  TYR  56           HE1      TYR  56   9.573   7.940  -1.277
  415    HE2  TYR  56           HE2      TYR  56   6.437   5.787  -3.189
  416    HH   TYR  56           HH       TYR  56   6.181   7.715  -1.774
  417    H    GLY  57           HN       GLY  57  11.812   2.403  -6.129
  418    HA2  GLY  57           HA2      GLY  57  13.672   1.336  -6.948
  419    HA3  GLY  57           HA1      GLY  57  14.638   2.134  -5.718
  420    H    VAL  58           HN       VAL  58  11.812   0.106  -5.257
  421    HA   VAL  58           HA       VAL  58  13.585  -1.747  -3.843
  422    HB   VAL  58           HB       VAL  58  11.746  -2.364  -2.303
  423   HG11  VAL  58          HG11      VAL  58  13.363  -0.724  -1.589
  424   HG12  VAL  58          HG12      VAL  58  11.770  -0.339  -0.936
  425   HG13  VAL  58          HG13      VAL  58  12.405   0.568  -2.311
  426   HG21  VAL  58          HG21      VAL  58   9.748  -0.947  -2.131
  427   HG22  VAL  58          HG22      VAL  58   9.834  -1.769  -3.690
  428   HG23  VAL  58          HG23      VAL  58  10.261  -0.062  -3.569
  429    H    SER  59           HN       SER  59  12.423  -3.966  -3.477
  430    HA   SER  59           HA       SER  59  10.831  -4.677  -5.788
  431    HB2  SER  59           HB2      SER  59  13.324  -6.146  -4.868
  432    HB3  SER  59           HB1      SER  59  12.245  -6.656  -6.170
  433    HG   SER  59           HG       SER  59  13.038  -4.100  -6.434
  434    H    ILE  60           HN       ILE  60   9.046  -5.453  -4.955
  435    HA   ILE  60           HA       ILE  60   9.160  -7.185  -2.577
  436    HB   ILE  60           HB       ILE  60   7.022  -5.109  -3.209
  437   HG12  ILE  60          HG12      ILE  60   9.034  -5.186  -0.944
  438   HG13  ILE  60          HG11      ILE  60   9.144  -4.146  -2.357
  439   HG21  ILE  60          HG21      ILE  60   6.069  -7.097  -2.156
  440   HG22  ILE  60          HG22      ILE  60   6.044  -5.735  -1.036
  441   HG23  ILE  60          HG23      ILE  60   7.261  -7.000  -0.860
  442   HD11  ILE  60          HD11      ILE  60   7.086  -3.030  -1.693
  443   HD12  ILE  60          HD12      ILE  60   8.317  -2.941  -0.433
  444   HD13  ILE  60          HD13      ILE  60   6.976  -4.076  -0.276
  445    HA   PRO  61           HA       PRO  61   7.364  -9.966  -5.568
  446    HB2  PRO  61           HB2      PRO  61   6.560 -11.440  -3.120
  447    HB3  PRO  61           HB1      PRO  61   7.474 -12.002  -4.524
  448    HG2  PRO  61           HG2      PRO  61   8.707 -11.534  -2.219
  449    HG3  PRO  61           HG1      PRO  61   9.464 -11.094  -3.762
  450    HD2  PRO  61           HD2      PRO  61   8.073  -9.357  -1.765
  451    HD3  PRO  61           HD1      PRO  61   9.557  -9.044  -2.690
  452    H    ASP  62           HN       ASP  62   5.492  -9.950  -6.487
  453    HA   ASP  62           HA       ASP  62   3.238  -8.499  -5.838
  454    HB2  ASP  62           HB2      ASP  62   3.301 -11.041  -7.484
  455    HB3  ASP  62           HB1      ASP  62   1.979  -9.892  -7.454
  456    H    ASP  63           HN       ASP  63   3.759 -11.949  -5.386
  457    HA   ASP  63           HA       ASP  63   1.230 -12.681  -4.457
  458    HB2  ASP  63           HB2      ASP  63   3.055 -14.213  -5.223
  459    HB3  ASP  63           HB1      ASP  63   3.853 -13.962  -3.678
  460    H    VAL  64           HN       VAL  64   3.878 -11.269  -2.784
  461    HA   VAL  64           HA       VAL  64   2.914 -11.670  -0.068
  462    HB   VAL  64           HB       VAL  64   5.000  -9.860  -1.249
  463   HG11  VAL  64          HG11      VAL  64   5.915  -9.716   1.078
  464   HG12  VAL  64          HG12      VAL  64   4.535 -10.656   1.651
  465   HG13  VAL  64          HG13      VAL  64   4.284  -9.056   0.955
  466   HG21  VAL  64          HG21      VAL  64   5.310 -12.555   0.072
  467   HG22  VAL  64          HG22      VAL  64   6.646 -11.512  -0.410
  468   HG23  VAL  64          HG23      VAL  64   5.561 -12.175  -1.633
  469    H    ALA  65           HN       ALA  65   3.296  -8.968  -2.302
  470    HA   ALA  65           HA       ALA  65   2.301  -6.879  -0.762
  471    HB1  ALA  65           HB1      ALA  65   2.093  -7.207  -3.739
  472    HB2  ALA  65           HB2      ALA  65   3.511  -6.611  -2.873
  473    HB3  ALA  65           HB3      ALA  65   2.002  -5.690  -2.845
  474    H    GLY  66           HN       GLY  66   0.547  -9.180  -2.741
  475    HA2  GLY  66           HA2      GLY  66  -1.943  -7.757  -2.330
  476    HA3  GLY  66           HA1      GLY  66  -1.736  -9.257  -3.215
  477    H    ARG  67           HN       ARG  67  -0.196  -9.896  -0.432
  478    HA   ARG  67           HA       ARG  67  -2.631 -11.181   0.547
  479    HB2  ARG  67           HB2      ARG  67  -0.667 -12.600  -0.186
  480    HB3  ARG  67           HB1      ARG  67   0.216 -11.973   1.195
  481    HG2  ARG  67           HG2      ARG  67  -1.332 -12.990   2.720
  482    HG3  ARG  67           HG1      ARG  67  -2.382 -13.479   1.393
  483    HD2  ARG  67           HD2      ARG  67  -0.629 -14.934   0.532
  484    HD3  ARG  67           HD1      ARG  67   0.444 -14.426   1.838
  485    HE   ARG  67           HE       ARG  67  -1.449 -15.323   3.301
  486   HH11  ARG  67          HH11      ARG  67  -0.421 -16.775   0.209
  487   HH12  ARG  67          HH12      ARG  67  -0.809 -18.358   0.687
  488   HH21  ARG  67          HH21      ARG  67  -2.013 -17.565   3.881
  489   HH22  ARG  67          HH22      ARG  67  -1.714 -18.812   2.747
  490    H    VAL  68           HN       VAL  68  -1.375  -8.442   1.144
  491    HA   VAL  68           HA       VAL  68  -1.236  -8.648   4.014
  492    HB   VAL  68           HB       VAL  68  -1.127  -6.098   4.007
  493   HG11  VAL  68          HG11      VAL  68   0.903  -7.452   4.058
  494   HG12  VAL  68          HG12      VAL  68   1.149  -5.989   3.105
  495   HG13  VAL  68          HG13      VAL  68   0.902  -7.535   2.297
  496   HG21  VAL  68          HG21      VAL  68  -0.961  -6.506   1.031
  497   HG22  VAL  68          HG22      VAL  68  -0.665  -4.989   1.865
  498   HG23  VAL  68          HG23      VAL  68  -2.289  -5.700   1.874
  499    H    ASP  69           HN       ASP  69  -2.757  -7.277   5.394
  500    HA   ASP  69           HA       ASP  69  -5.468  -7.667   4.290
  501    HB2  ASP  69           HB2      ASP  69  -4.971  -9.325   5.981
  502    HB3  ASP  69           HB1      ASP  69  -4.437  -8.081   7.092
  503    H    THR  70           HN       THR  70  -3.422  -5.708   6.308
  504    HA   THR  70           HA       THR  70  -5.443  -3.598   6.135
  505    HB   THR  70           HB       THR  70  -4.489  -2.757   8.347
  506    HG1  THR  70           HG1      THR  70  -3.087  -5.192   8.064
  507   HG21  THR  70          HG21      THR  70  -5.774  -4.372   9.702
  508   HG22  THR  70          HG22      THR  70  -5.796  -5.480   8.324
  509   HG23  THR  70          HG23      THR  70  -6.635  -3.935   8.224
  510    HA   PRO  71           HA       PRO  71  -2.668  -1.052   3.871
  511    HB2  PRO  71           HB2      PRO  71  -3.382   1.138   5.768
  512    HB3  PRO  71           HB1      PRO  71  -3.435   1.114   3.998
  513    HG2  PRO  71           HG2      PRO  71  -5.670   0.893   5.376
  514    HG3  PRO  71           HG1      PRO  71  -5.401  -0.125   3.946
  515    HD2  PRO  71           HD2      PRO  71  -5.185  -0.835   6.844
  516    HD3  PRO  71           HD1      PRO  71  -5.862  -1.776   5.501
  517    H    ARG  72           HN       ARG  72  -2.343  -0.967   7.371
  518    HA   ARG  72           HA       ARG  72   0.049   0.420   7.486
  519    HB2  ARG  72           HB2      ARG  72   0.460  -0.703   9.679
  520    HB3  ARG  72           HB1      ARG  72  -1.107   0.067   9.524
  521    HG2  ARG  72           HG2      ARG  72  -2.175  -2.070   9.227
  522    HG3  ARG  72           HG1      ARG  72  -0.608  -2.883   9.210
  523    HD2  ARG  72           HD2      ARG  72  -1.812  -3.029  11.384
  524    HD3  ARG  72           HD1      ARG  72  -0.209  -2.308  11.492
  525    HE   ARG  72           HE       ARG  72  -1.275  -0.138  11.590
  526   HH11  ARG  72          HH11      ARG  72  -3.370  -2.936  12.280
  527   HH12  ARG  72          HH12      ARG  72  -4.386  -2.089  13.341
  528   HH21  ARG  72          HH21      ARG  72  -2.739   1.060  13.009
  529   HH22  ARG  72          HH22      ARG  72  -4.035   0.229  13.749
  530    H    GLU  73           HN       GLU  73  -0.625  -2.929   6.792
  531    HA   GLU  73           HA       GLU  73   2.017  -3.911   7.169
  532    HB2  GLU  73           HB2      GLU  73  -0.269  -5.074   5.602
  533    HB3  GLU  73           HB1      GLU  73   1.165  -5.930   6.156
  534    HG2  GLU  73           HG2      GLU  73   0.532  -5.587   8.443
  535    HG3  GLU  73           HG1      GLU  73  -0.858  -4.627   7.939
  536    H    LEU  74           HN       LEU  74   0.154  -2.717   4.478
  537    HA   LEU  74           HA       LEU  74   2.064  -3.451   2.465
  538    HB2  LEU  74           HB2      LEU  74  -0.469  -3.052   2.178
  539    HB3  LEU  74           HB1      LEU  74  -0.111  -1.346   2.261
  540    HG   LEU  74           HG       LEU  74  -0.515  -2.228  -0.030
  541   HD11  LEU  74          HD11      LEU  74   2.257  -1.112   0.382
  542   HD12  LEU  74          HD12      LEU  74   0.772  -0.175   0.208
  543   HD13  LEU  74          HD13      LEU  74   1.375  -1.132  -1.145
  544   HD21  LEU  74          HD21      LEU  74   1.231  -3.546  -1.142
  545   HD22  LEU  74          HD22      LEU  74   0.476  -4.415   0.195
  546   HD23  LEU  74          HD23      LEU  74   2.075  -3.699   0.399
  547    H    LEU  75           HN       LEU  75   1.288  -0.561   4.326
  548    HA   LEU  75           HA       LEU  75   3.146   1.257   3.262
  549    HB2  LEU  75           HB2      LEU  75   1.332   1.794   4.880
  550    HB3  LEU  75           HB1      LEU  75   2.212   0.931   6.122
  551    HG   LEU  75           HG       LEU  75   4.059   2.622   5.863
  552   HD11  LEU  75          HD11      LEU  75   2.002   4.054   4.214
  553   HD12  LEU  75          HD12      LEU  75   3.536   3.398   3.641
  554   HD13  LEU  75          HD13      LEU  75   3.523   4.732   4.796
  555   HD21  LEU  75          HD21      LEU  75   2.457   2.752   7.680
  556   HD22  LEU  75          HD22      LEU  75   1.344   3.653   6.650
  557   HD23  LEU  75          HD23      LEU  75   2.892   4.363   7.110
  558    H    ASP  76           HN       ASP  76   3.324  -1.019   5.927
  559    HA   ASP  76           HA       ASP  76   5.951  -0.615   6.732
  560    HB2  ASP  76           HB2      ASP  76   4.312  -1.746   8.112
  561    HB3  ASP  76           HB1      ASP  76   4.225  -3.072   6.961
  562    H    LEU  77           HN       LEU  77   4.639  -2.740   4.236
  563    HA   LEU  77           HA       LEU  77   6.957  -4.251   3.747
  564    HB2  LEU  77           HB2      LEU  77   4.757  -3.412   1.855
  565    HB3  LEU  77           HB1      LEU  77   6.024  -4.507   1.376
  566    HG   LEU  77           HG       LEU  77   3.921  -4.993   3.477
  567   HD11  LEU  77          HD11      LEU  77   4.411  -6.227   0.773
  568   HD12  LEU  77          HD12      LEU  77   3.106  -5.118   1.193
  569   HD13  LEU  77          HD13      LEU  77   3.167  -6.723   1.920
  570   HD21  LEU  77          HD21      LEU  77   4.856  -7.255   3.631
  571   HD22  LEU  77          HD22      LEU  77   6.034  -6.041   4.135
  572   HD23  LEU  77          HD23      LEU  77   6.164  -6.789   2.543
  573    H    ILE  78           HN       ILE  78   5.967  -1.117   2.604
  574    HA   ILE  78           HA       ILE  78   8.202  -0.763   0.827
  575    HB   ILE  78           HB       ILE  78   6.354   1.347   1.994
  576   HG12  ILE  78          HG12      ILE  78   5.046  -0.379   0.802
  577   HG13  ILE  78          HG11      ILE  78   5.020   1.154  -0.055
  578   HG21  ILE  78          HG21      ILE  78   8.107   1.377  -0.462
  579   HG22  ILE  78          HG22      ILE  78   8.387   2.270   1.032
  580   HG23  ILE  78          HG23      ILE  78   6.997   2.663   0.019
  581   HD11  ILE  78          HD11      ILE  78   5.241  -0.724  -1.583
  582   HD12  ILE  78          HD12      ILE  78   6.713  -1.239  -0.757
  583   HD13  ILE  78          HD13      ILE  78   6.681   0.293  -1.629
  584    H    ASN  79           HN       ASN  79   7.193   0.718   3.911
  585    HA   ASN  79           HA       ASN  79   9.428   2.271   4.473
  586    HB2  ASN  79           HB2      ASN  79   7.551   0.871   6.377
  587    HB3  ASN  79           HB1      ASN  79   8.807   1.964   6.916
  588   HD21  ASN  79          HD21      ASN  79   8.475   3.949   4.803
  589   HD22  ASN  79          HD22      ASN  79   6.934   4.678   5.110
  590    H    GLY  80           HN       GLY  80   8.839  -1.113   5.464
  591    HA2  GLY  80           HA2      GLY  80  11.167  -1.425   6.973
  592    HA3  GLY  80           HA1      GLY  80  10.218  -2.715   6.250
  593    H    ALA  81           HN       ALA  81  10.527  -2.033   3.563
  594    HA   ALA  81           HA       ALA  81  12.992  -3.249   2.942
  595    HB1  ALA  81           HB1      ALA  81  11.167  -1.627   1.162
  596    HB2  ALA  81           HB2      ALA  81  11.032  -3.358   1.467
  597    HB3  ALA  81           HB3      ALA  81  12.438  -2.720   0.611
  598    H    LEU  82           HN       LEU  82  11.873   0.072   2.707
  599    HA   LEU  82           HA       LEU  82  14.277   1.172   1.717
  600    HB2  LEU  82           HB2      LEU  82  12.009   2.466   3.212
  601    HB3  LEU  82           HB1      LEU  82  13.301   3.340   2.419
  602    HG   LEU  82           HG       LEU  82  11.358   1.531   0.978
  603   HD11  LEU  82          HD11      LEU  82  10.210   3.443   1.960
  604   HD12  LEU  82          HD12      LEU  82  10.305   3.591   0.206
  605   HD13  LEU  82          HD13      LEU  82  11.390   4.532   1.232
  606   HD21  LEU  82          HD21      LEU  82  12.223   2.663  -1.015
  607   HD22  LEU  82          HD22      LEU  82  13.499   1.805  -0.150
  608   HD23  LEU  82          HD23      LEU  82  13.362   3.559  -0.010
  609    H    ALA  83           HN       ALA  83  13.074   0.672   4.998
  610    HA   ALA  83           HA       ALA  83  15.187   2.130   6.268
  611    HB1  ALA  83           HB1      ALA  83  13.016   1.786   7.359
  612    HB2  ALA  83           HB2      ALA  83  14.339   1.170   8.349
  613    HB3  ALA  83           HB3      ALA  83  13.330   0.051   7.430
  614    H    GLU  84           HN       GLU  84  14.896  -0.935   4.934
  615    HA   GLU  84           HA       GLU  84  17.031  -2.205   6.393
  616    HB2  GLU  84           HB2      GLU  84  15.121  -3.432   5.421
  617    HB3  GLU  84           HB1      GLU  84  15.591  -2.888   3.827
  618    HG2  GLU  84           HG2      GLU  84  17.636  -4.192   3.994
  619    HG3  GLU  84           HG1      GLU  84  17.147  -4.734   5.607
  620    H    ALA  85           HN       ALA  85  16.471  -1.195   3.052
  621    HA   ALA  85           HA       ALA  85  18.875   0.245   2.763
  622    HB1  ALA  85           HB1      ALA  85  19.934  -1.207   1.049
  623    HB2  ALA  85           HB2      ALA  85  18.735  -2.459   1.372
  624    HB3  ALA  85           HB3      ALA  85  19.889  -1.999   2.623
  625    H    ALA  86           HN       ALA  86  16.878  -1.890   0.804
  626    HA   ALA  86           HA       ALA  86  14.965  -0.294  -0.167
  627    HB1  ALA  86           HB1      ALA  86  15.740   0.216  -2.479
  628    HB2  ALA  86           HB2      ALA  86  17.360  -0.337  -2.049
  629    HB3  ALA  86           HB3      ALA  86  16.686   1.105  -1.285
  630   H282  PNS  87          H28A      PNS  87  -7.614 -14.043  -4.530
  631   H281  PNS  87          H28B      PNS  87  -7.889 -12.788  -5.744
  632   H303  PNS  87          H30A      PNS  87  -5.113 -12.657  -6.844
  633   H302  PNS  87          H30B      PNS  87  -6.598 -12.711  -7.794
  634   H301  PNS  87          H30C      PNS  87  -5.312 -13.875  -8.104
  635   H313  PNS  87          H31A      PNS  87  -4.616 -14.434  -5.196
  636   H312  PNS  87          H31B      PNS  87  -4.839 -15.690  -6.414
  637   H311  PNS  87          H31C      PNS  87  -5.770 -15.739  -4.919
  638    H32  PNS  87          H32A      PNS  87  -7.964 -15.841  -6.276
  639    H33  PNS  87          H33A      PNS  87  -7.016 -15.804  -8.819
  640    H36  PNS  87          H36A      PNS  87  -9.358 -13.879  -6.157
  641   H372  PNS  87          H37A      PNS  87 -10.173 -12.560  -8.594
  642   H371  PNS  87          H37B      PNS  87 -11.383 -13.601  -7.820
  643   H382  PNS  87          H38A      PNS  87 -11.203 -12.289  -5.767
  644   H381  PNS  87          H38B      PNS  87  -9.874 -11.385  -6.445
  645    H41  PNS  87          H41A      PNS  87 -11.369  -9.754  -5.588
  646   H422  PNS  87          H42A      PNS  87 -12.926  -8.562  -7.760
  647   H421  PNS  87          H42B      PNS  87 -13.683  -8.752  -6.179
  648   H431  PNS  87          H43A      PNS  87 -11.180  -7.182  -6.766
  649   H432  PNS  87          H43B      PNS  87 -11.886  -7.424  -5.174
  650    H44  PNS  87           H1       PNS  87 -12.391  -4.827  -6.063
  Start of MODEL   13
    1    H1   MET   1           HT1      MET   1  20.181   5.097   2.716
    2    H2   MET   1           HT2      MET   1  18.774   4.247   2.264
    3    H3   MET   1           HT3      MET   1  18.664   5.838   2.811
    4    HA   MET   1           HA       MET   1  19.797   6.639   0.877
    5    HB2  MET   1           HB2      MET   1  21.243   4.573   0.689
    6    HB3  MET   1           HB1      MET   1  19.856   3.703   0.062
    7    HG2  MET   1           HG2      MET   1  19.809   5.287  -1.859
    8    HG3  MET   1           HG1      MET   1  21.289   6.015  -1.239
    9    HE1  MET   1           HE1      MET   1  20.948   4.825  -4.220
   10    HE2  MET   1           HE2      MET   1  22.507   4.018  -4.405
   11    HE3  MET   1           HE3      MET   1  22.416   5.599  -3.628
   12    H    ALA   2           HN       ALA   2  17.041   6.193   1.954
   13    HA   ALA   2           HA       ALA   2  15.649   6.051  -0.580
   14    HB1  ALA   2           HB1      ALA   2  15.643   3.762   0.263
   15    HB2  ALA   2           HB2      ALA   2  14.023   4.461   0.263
   16    HB3  ALA   2           HB3      ALA   2  14.924   4.321   1.772
   17    H    THR   3           HN       THR   3  13.447   6.772  -0.398
   18    HA   THR   3           HA       THR   3  13.080   8.768   1.729
   19    HB   THR   3           HB       THR   3  11.677   8.478  -0.869
   20    HG1  THR   3           HG1      THR   3  13.161  10.012  -1.690
   21   HG21  THR   3          HG21      THR   3  12.039  10.833   0.984
   22   HG22  THR   3          HG22      THR   3  10.562   9.897   0.760
   23   HG23  THR   3          HG23      THR   3  11.188  10.887  -0.558
   24    H    LEU   4           HN       LEU   4  11.917   7.755   3.318
   25    HA   LEU   4           HA       LEU   4  10.068   5.655   2.760
   26    HB2  LEU   4           HB2      LEU   4  10.279   7.258   5.312
   27    HB3  LEU   4           HB1      LEU   4   9.485   5.737   5.084
   28    HG   LEU   4           HG       LEU   4  12.462   6.121   4.846
   29   HD11  LEU   4          HD11      LEU   4  11.698   6.502   7.124
   30   HD12  LEU   4          HD12      LEU   4  12.567   4.974   7.003
   31   HD13  LEU   4          HD13      LEU   4  10.804   4.982   7.092
   32   HD21  LEU   4          HD21      LEU   4  11.601   4.255   3.526
   33   HD22  LEU   4          HD22      LEU   4  10.753   3.636   4.943
   34   HD23  LEU   4          HD23      LEU   4  12.517   3.676   4.918
   35    H    LEU   5           HN       LEU   5   8.061   5.855   2.102
   36    HA   LEU   5           HA       LEU   5   6.792   8.400   2.181
   37    HB2  LEU   5           HB2      LEU   5   4.851   7.232   1.125
   38    HB3  LEU   5           HB1      LEU   5   6.334   7.159   0.201
   39    HG   LEU   5           HG       LEU   5   6.582   4.795   1.123
   40   HD11  LEU   5          HD11      LEU   5   4.529   3.654   1.788
   41   HD12  LEU   5          HD12      LEU   5   3.672   5.195   1.784
   42   HD13  LEU   5          HD13      LEU   5   4.975   4.913   2.937
   43   HD21  LEU   5          HD21      LEU   5   4.277   5.427  -0.696
   44   HD22  LEU   5          HD22      LEU   5   5.070   3.856  -0.553
   45   HD23  LEU   5          HD23      LEU   5   5.967   5.246  -1.163
   46    H    THR   6           HN       THR   6   4.869   8.897   3.242
   47    HA   THR   6           HA       THR   6   4.735   7.579   5.827
   48    HB   THR   6           HB       THR   6   3.441   9.608   6.501
   49    HG1  THR   6           HG1      THR   6   4.121  10.509   3.856
   50   HG21  THR   6          HG21      THR   6   5.347  11.170   6.433
   51   HG22  THR   6          HG22      THR   6   6.114  10.182   5.194
   52   HG23  THR   6          HG23      THR   6   5.887   9.537   6.819
   53    H    THR   7           HN       THR   7   2.218   8.192   6.642
   54    HA   THR   7           HA       THR   7   0.643   6.171   5.474
   55    HB   THR   7           HB       THR   7  -0.112   8.448   7.335
   56    HG1  THR   7           HG1      THR   7   1.541   7.117   8.174
   57   HG21  THR   7          HG21      THR   7  -1.951   6.990   8.042
   58   HG22  THR   7          HG22      THR   7  -1.471   5.794   6.840
   59   HG23  THR   7          HG23      THR   7  -2.073   7.371   6.326
   60    H    ASP   8           HN       ASP   8   0.584   9.710   5.337
   61    HA   ASP   8           HA       ASP   8  -1.677   9.963   3.676
   62    HB2  ASP   8           HB2      ASP   8   0.631  11.858   4.128
   63    HB3  ASP   8           HB1      ASP   8  -0.738  12.253   3.097
   64    H    ASP   9           HN       ASP   9   1.731   9.678   2.912
   65    HA   ASP   9           HA       ASP   9   1.483  10.073   0.115
   66    HB2  ASP   9           HB2      ASP   9   3.540   8.349   1.522
   67    HB3  ASP   9           HB1      ASP   9   3.627   8.882  -0.146
   68    H    LEU  10           HN       LEU  10   1.357   7.180   2.127
   69    HA   LEU  10           HA       LEU  10   1.126   5.258   0.107
   70    HB2  LEU  10           HB2      LEU  10   1.582   4.713   2.457
   71    HB3  LEU  10           HB1      LEU  10  -0.040   5.216   2.893
   72    HG   LEU  10           HG       LEU  10  -0.908   3.388   1.404
   73   HD11  LEU  10          HD11      LEU  10   1.040   3.071   0.014
   74   HD12  LEU  10          HD12      LEU  10   0.595   1.567   0.817
   75   HD13  LEU  10          HD13      LEU  10   1.967   2.509   1.408
   76   HD21  LEU  10          HD21      LEU  10  -0.471   1.610   3.031
   77   HD22  LEU  10          HD22      LEU  10  -0.850   3.141   3.815
   78   HD23  LEU  10          HD23      LEU  10   0.822   2.581   3.737
   79    H    ARG  11           HN       ARG  11  -1.351   7.074   1.857
   80    HA   ARG  11           HA       ARG  11  -3.677   5.906   0.841
   81    HB2  ARG  11           HB2      ARG  11  -3.631   7.584   2.657
   82    HB3  ARG  11           HB1      ARG  11  -3.206   8.823   1.492
   83    HG2  ARG  11           HG2      ARG  11  -5.382   8.384   0.340
   84    HG3  ARG  11           HG1      ARG  11  -5.802   7.305   1.675
   85    HD2  ARG  11           HD2      ARG  11  -5.155  10.246   1.894
   86    HD3  ARG  11           HD1      ARG  11  -6.761   9.529   2.001
   87    HE   ARG  11           HE       ARG  11  -6.057   8.434   4.011
   88   HH11  ARG  11          HH11      ARG  11  -4.192  11.265   2.940
   89   HH12  ARG  11          HH12      ARG  11  -3.513  11.618   4.451
   90   HH21  ARG  11          HH21      ARG  11  -5.123   8.932   6.184
   91   HH22  ARG  11          HH22      ARG  11  -4.016  10.206   6.358
   92    H    ARG  12           HN       ARG  12  -1.915   8.708  -0.358
   93    HA   ARG  12           HA       ARG  12  -3.541   9.234  -2.598
   94    HB2  ARG  12           HB2      ARG  12  -0.647   9.962  -2.118
   95    HB3  ARG  12           HB1      ARG  12  -1.715  10.717  -3.295
   96    HG2  ARG  12           HG2      ARG  12  -3.113  11.599  -1.557
   97    HG3  ARG  12           HG1      ARG  12  -2.218  10.705  -0.329
   98    HD2  ARG  12           HD2      ARG  12  -0.203  12.015  -0.919
   99    HD3  ARG  12           HD1      ARG  12  -1.182  12.949  -2.048
  100    HE   ARG  12           HE       ARG  12  -2.561  13.259   0.194
  101   HH11  ARG  12          HH11      ARG  12   0.929  13.517  -0.363
  102   HH12  ARG  12          HH12      ARG  12   1.173  14.731   0.802
  103   HH21  ARG  12          HH21      ARG  12  -2.197  14.901   1.889
  104   HH22  ARG  12          HH22      ARG  12  -0.640  15.548   2.092
  105    H    ALA  13           HN       ALA  13  -0.605   7.356  -2.181
  106    HA   ALA  13           HA       ALA  13  -0.172   6.695  -4.919
  107    HB1  ALA  13           HB1      ALA  13   1.368   5.037  -4.049
  108    HB2  ALA  13           HB2      ALA  13   0.696   5.233  -2.430
  109    HB3  ALA  13           HB3      ALA  13   1.569   6.565  -3.188
  110    H    LEU  14           HN       LEU  14  -2.122   5.285  -2.419
  111    HA   LEU  14           HA       LEU  14  -2.599   2.855  -3.860
  112    HB2  LEU  14           HB2      LEU  14  -2.569   2.942  -1.512
  113    HB3  LEU  14           HB1      LEU  14  -3.926   4.061  -1.438
  114    HG   LEU  14           HG       LEU  14  -5.286   2.194  -2.550
  115   HD11  LEU  14          HD11      LEU  14  -4.476  -0.073  -2.246
  116   HD12  LEU  14          HD12      LEU  14  -2.934   0.550  -1.664
  117   HD13  LEU  14          HD13      LEU  14  -3.431   0.849  -3.329
  118   HD21  LEU  14          HD21      LEU  14  -4.201   1.734   0.223
  119   HD22  LEU  14          HD22      LEU  14  -5.704   1.069  -0.434
  120   HD23  LEU  14          HD23      LEU  14  -5.532   2.806  -0.210
  121    H    VAL  15           HN       VAL  15  -4.558   5.713  -3.045
  122    HA   VAL  15           HA       VAL  15  -6.880   4.902  -4.411
  123    HB   VAL  15           HB       VAL  15  -6.029   7.739  -3.694
  124   HG11  VAL  15          HG11      VAL  15  -7.798   7.777  -5.379
  125   HG12  VAL  15          HG12      VAL  15  -8.404   8.326  -3.814
  126   HG13  VAL  15          HG13      VAL  15  -8.780   6.703  -4.381
  127   HG21  VAL  15          HG21      VAL  15  -6.159   6.285  -1.753
  128   HG22  VAL  15          HG22      VAL  15  -7.786   5.785  -2.216
  129   HG23  VAL  15          HG23      VAL  15  -7.477   7.457  -1.741
  130    H    GLU  16           HN       GLU  16  -3.984   6.308  -5.579
  131    HA   GLU  16           HA       GLU  16  -4.824   7.424  -7.992
  132    HB2  GLU  16           HB2      GLU  16  -2.589   7.755  -7.065
  133    HB3  GLU  16           HB1      GLU  16  -2.217   6.058  -7.296
  134    HG2  GLU  16           HG2      GLU  16  -2.326   6.333  -9.698
  135    HG3  GLU  16           HG1      GLU  16  -2.799   8.016  -9.502
  136    H    SER  17           HN       SER  17  -4.422   4.088  -7.077
  137    HA   SER  17           HA       SER  17  -4.572   3.116  -9.805
  138    HB2  SER  17           HB2      SER  17  -3.191   1.906  -8.222
  139    HB3  SER  17           HB1      SER  17  -4.538   1.658  -7.132
  140    HG   SER  17           HG       SER  17  -3.709   0.156  -9.095
  141    H    ALA  18           HN       ALA  18  -6.681   3.727  -7.130
  142    HA   ALA  18           HA       ALA  18  -8.808   2.035  -8.064
  143    HB1  ALA  18           HB1      ALA  18  -8.505   2.467  -5.676
  144    HB2  ALA  18           HB2      ALA  18 -10.099   2.982  -6.228
  145    HB3  ALA  18           HB3      ALA  18  -8.831   4.178  -5.946
  146    H    GLY  19           HN       GLY  19  -8.256   5.526  -7.839
  147    HA2  GLY  19           HA2      GLY  19  -9.097   7.232  -9.123
  148    HA3  GLY  19           HA1      GLY  19  -9.773   6.024 -10.216
  149    H    GLU  20           HN       GLU  20 -11.891   5.761 -10.202
  150    HA   GLU  20           HA       GLU  20 -13.331   6.775  -7.873
  151    HB2  GLU  20           HB2      GLU  20 -15.328   6.999  -9.305
  152    HB3  GLU  20           HB1      GLU  20 -13.974   7.933  -9.922
  153    HG2  GLU  20           HG2      GLU  20 -13.536   6.237 -11.604
  154    HG3  GLU  20           HG1      GLU  20 -14.838   5.241 -10.957
  155    H    THR  21           HN       THR  21 -12.736   4.159  -9.762
  156    HA   THR  21           HA       THR  21 -14.813   2.419  -8.751
  157    HB   THR  21           HB       THR  21 -13.521   0.613  -9.928
  158    HG1  THR  21           HG1      THR  21 -11.503   2.092  -9.653
  159   HG21  THR  21          HG21      THR  21 -14.071   3.101 -11.548
  160   HG22  THR  21          HG22      THR  21 -15.252   1.865 -11.102
  161   HG23  THR  21          HG23      THR  21 -13.925   1.467 -12.195
  162    H    ASP  22           HN       ASP  22 -14.716   2.173  -6.638
  163    HA   ASP  22           HA       ASP  22 -14.138   1.378  -4.631
  164    HB2  ASP  22           HB2      ASP  22 -11.593   0.297  -5.912
  165    HB3  ASP  22           HB1      ASP  22 -12.145  -0.070  -4.283
  166    H    GLY  23           HN       GLY  23 -13.297   3.869  -5.945
  167    HA2  GLY  23           HA2      GLY  23 -10.932   4.800  -4.610
  168    HA3  GLY  23           HA1      GLY  23 -12.086   5.794  -5.504
  169    H    THR  24           HN       THR  24 -11.653   4.000  -2.638
  170    HA   THR  24           HA       THR  24 -13.683   5.016  -1.015
  171    HB   THR  24           HB       THR  24 -10.972   3.849  -0.342
  172    HG1  THR  24           HG1      THR  24 -12.154   2.415  -1.624
  173   HG21  THR  24          HG21      THR  24 -12.028   4.901   1.617
  174   HG22  THR  24          HG22      THR  24 -12.025   3.145   1.771
  175   HG23  THR  24          HG23      THR  24 -13.505   3.986   1.315
  176    H    ASP  25           HN       ASP  25 -13.676   6.724   0.472
  177    HA   ASP  25           HA       ASP  25 -12.249   9.069   0.098
  178    HB2  ASP  25           HB2      ASP  25 -14.233   9.016   1.499
  179    HB3  ASP  25           HB1      ASP  25 -13.425   7.966   2.662
  180    H    LEU  26           HN       LEU  26 -11.738   6.835   2.808
  181    HA   LEU  26           HA       LEU  26  -9.903   5.831   3.681
  182    HB2  LEU  26           HB2      LEU  26  -9.564   5.559   1.129
  183    HB3  LEU  26           HB1      LEU  26  -8.351   6.799   1.300
  184    HG   LEU  26           HG       LEU  26  -7.173   5.279   2.927
  185   HD11  LEU  26          HD11      LEU  26  -9.179   3.294   1.855
  186   HD12  LEU  26          HD12      LEU  26  -9.090   3.887   3.515
  187   HD13  LEU  26          HD13      LEU  26  -7.778   2.911   2.856
  188   HD21  LEU  26          HD21      LEU  26  -6.260   3.859   1.138
  189   HD22  LEU  26          HD22      LEU  26  -6.459   5.531   0.614
  190   HD23  LEU  26          HD23      LEU  26  -7.617   4.309   0.103
  191    H    SER  27           HN       SER  27 -10.390   8.943   3.866
  192    HA   SER  27           HA       SER  27  -7.685   9.896   4.200
  193    HB2  SER  27           HB2      SER  27  -9.358  11.274   3.005
  194    HB3  SER  27           HB1      SER  27 -10.318  11.352   4.475
  195    HG   SER  27           HG       SER  27  -9.129  12.895   5.144
  196    H    GLY  28           HN       GLY  28  -9.566   8.187   6.079
  197    HA2  GLY  28           HA2      GLY  28  -8.894   9.653   8.544
  198    HA3  GLY  28           HA1      GLY  28 -10.108   8.385   8.424
  199    H    ASP  29           HN       ASP  29  -9.297   7.136  10.012
  200    HA   ASP  29           HA       ASP  29  -6.555   6.224   9.934
  201    HB2  ASP  29           HB2      ASP  29  -8.902   5.472  11.692
  202    HB3  ASP  29           HB1      ASP  29  -7.347   4.662  11.789
  203    H    PHE  30           HN       PHE  30  -6.353   5.225   8.039
  204    HA   PHE  30           HA       PHE  30  -8.228   3.067   7.456
  205    HB2  PHE  30           HB2      PHE  30  -7.550   3.205   5.158
  206    HB3  PHE  30           HB1      PHE  30  -7.961   4.809   5.742
  207    HD1  PHE  30           HD1      PHE  30  -6.116   6.428   6.235
  208    HD2  PHE  30           HD2      PHE  30  -5.412   2.727   4.263
  209    HE1  PHE  30           HE1      PHE  30  -3.958   7.274   5.435
  210    HE2  PHE  30           HE2      PHE  30  -3.251   3.570   3.460
  211    HZ   PHE  30           HZ       PHE  30  -2.542   5.809   3.956
  212    H    LEU  31           HN       LEU  31  -5.555   3.154   9.147
  213    HA   LEU  31           HA       LEU  31  -3.975   1.225   7.710
  214    HB2  LEU  31           HB2      LEU  31  -3.715   2.218  10.558
  215    HB3  LEU  31           HB1      LEU  31  -2.601   1.108   9.797
  216    HG   LEU  31           HG       LEU  31  -1.553   3.192   9.809
  217   HD11  LEU  31          HD11      LEU  31  -1.225   2.020   7.761
  218   HD12  LEU  31          HD12      LEU  31  -1.251   3.760   7.460
  219   HD13  LEU  31          HD13      LEU  31  -2.657   2.772   7.059
  220   HD21  LEU  31          HD21      LEU  31  -3.453   4.624  10.262
  221   HD22  LEU  31          HD22      LEU  31  -4.046   4.402   8.618
  222   HD23  LEU  31          HD23      LEU  31  -2.526   5.260   8.900
  223    H    ASP  32           HN       ASP  32  -6.489   1.235  10.006
  224    HA   ASP  32           HA       ASP  32  -6.201  -1.647  10.545
  225    HB2  ASP  32           HB2      ASP  32  -8.092   0.378  11.773
  226    HB3  ASP  32           HB1      ASP  32  -7.947  -1.308  12.254
  227    H    LEU  33           HN       LEU  33  -7.739   0.474   8.560
  228    HA   LEU  33           HA       LEU  33 -10.192  -0.975   8.102
  229    HB2  LEU  33           HB2      LEU  33 -10.056   1.477   7.868
  230    HB3  LEU  33           HB1      LEU  33  -8.824   1.299   6.643
  231    HG   LEU  33           HG       LEU  33 -10.487   0.296   5.130
  232   HD11  LEU  33          HD11      LEU  33 -11.957  -0.706   6.805
  233   HD12  LEU  33          HD12      LEU  33 -12.853   0.354   5.716
  234   HD13  LEU  33          HD13      LEU  33 -12.446   0.902   7.340
  235   HD21  LEU  33          HD21      LEU  33 -11.767   2.343   4.736
  236   HD22  LEU  33          HD22      LEU  33 -10.074   2.689   5.082
  237   HD23  LEU  33          HD23      LEU  33 -11.294   2.944   6.328
  238    H    ARG  34           HN       ARG  34 -10.192  -2.795   6.849
  239    HA   ARG  34           HA       ARG  34  -7.673  -3.540   5.640
  240    HB2  ARG  34           HB2      ARG  34 -10.246  -5.055   5.891
  241    HB3  ARG  34           HB1      ARG  34  -8.706  -5.708   5.368
  242    HG2  ARG  34           HG2      ARG  34  -7.746  -5.537   7.477
  243    HG3  ARG  34           HG1      ARG  34  -8.987  -4.421   8.052
  244    HD2  ARG  34           HD2      ARG  34  -9.448  -7.303   7.328
  245    HD3  ARG  34           HD1      ARG  34  -9.233  -6.691   8.970
  246    HE   ARG  34           HE       ARG  34 -11.336  -5.381   7.478
  247   HH11  ARG  34          HH11      ARG  34 -10.569  -7.856   9.868
  248   HH12  ARG  34          HH12      ARG  34 -12.196  -8.191  10.243
  249   HH21  ARG  34          HH21      ARG  34 -13.521  -5.734   8.011
  250   HH22  ARG  34          HH22      ARG  34 -13.938  -6.954   9.140
  251    H    PHE  35           HN       PHE  35  -7.699  -4.567   3.576
  252    HA   PHE  35           HA       PHE  35  -8.850  -2.859   1.640
  253    HB2  PHE  35           HB2      PHE  35  -7.333  -5.445   1.344
  254    HB3  PHE  35           HB1      PHE  35  -7.766  -4.374   0.012
  255    HD1  PHE  35           HD2      PHE  35  -7.021  -1.882   0.328
  256    HD2  PHE  35           HD1      PHE  35  -5.285  -5.191   2.342
  257    HE1  PHE  35           HE2      PHE  35  -4.993  -0.561   0.736
  258    HE2  PHE  35           HE1      PHE  35  -3.249  -3.875   2.752
  259    HZ   PHE  35           HZ       PHE  35  -3.087  -1.575   1.907
  260    H    GLU  36           HN       GLU  36  -9.587  -5.999   2.867
  261    HA   GLU  36           HA       GLU  36 -11.564  -6.837   1.079
  262    HB2  GLU  36           HB2      GLU  36 -10.445  -7.871   3.303
  263    HB3  GLU  36           HB1      GLU  36 -11.938  -7.289   4.009
  264    HG2  GLU  36           HG2      GLU  36 -11.708  -9.246   1.733
  265    HG3  GLU  36           HG1      GLU  36 -12.020  -9.658   3.414
  266    H    ASP  37           HN       ASP  37 -11.637  -4.610   3.809
  267    HA   ASP  37           HA       ASP  37 -14.476  -4.213   3.889
  268    HB2  ASP  37           HB2      ASP  37 -12.297  -2.405   4.978
  269    HB3  ASP  37           HB1      ASP  37 -14.002  -2.255   5.328
  270    H    ILE  38           HN       ILE  38 -11.823  -2.748   2.145
  271    HA   ILE  38           HA       ILE  38 -13.646  -0.673   1.180
  272    HB   ILE  38           HB       ILE  38 -11.672   0.577   0.375
  273   HG12  ILE  38          HG12      ILE  38 -10.077  -1.539   1.850
  274   HG13  ILE  38          HG11      ILE  38 -10.126  -1.352   0.105
  275   HG21  ILE  38          HG21      ILE  38 -11.663  -0.151   3.290
  276   HG22  ILE  38          HG22      ILE  38 -12.661   1.076   2.510
  277   HG23  ILE  38          HG23      ILE  38 -10.909   1.284   2.591
  278   HD11  ILE  38          HD11      ILE  38  -9.087   0.853   0.316
  279   HD12  ILE  38          HD12      ILE  38  -8.089  -0.408   1.057
  280   HD13  ILE  38          HD13      ILE  38  -9.054   0.665   2.068
  281    H    GLY  39           HN       GLY  39 -13.362  -3.471   0.189
  282    HA2  GLY  39           HA2      GLY  39 -13.759  -4.499  -1.836
  283    HA3  GLY  39           HA1      GLY  39 -14.047  -2.897  -2.485
  284    H    TYR  40           HN       TYR  40 -10.979  -3.917  -1.099
  285    HA   TYR  40           HA       TYR  40  -9.763  -3.510  -3.722
  286    HB2  TYR  40           HB2      TYR  40  -9.004  -2.848  -1.005
  287    HB3  TYR  40           HB1      TYR  40  -7.750  -3.734  -1.862
  288    HD1  TYR  40           HD1      TYR  40  -9.903  -0.762  -2.002
  289    HD2  TYR  40           HD2      TYR  40  -6.385  -2.642  -3.460
  290    HE1  TYR  40           HE1      TYR  40  -9.281   1.319  -3.105
  291    HE2  TYR  40           HE2      TYR  40  -5.729  -0.552  -4.579
  292    HH   TYR  40           HH       TYR  40  -7.278   2.415  -3.952
  293    H    ASP  41           HN       ASP  41  -9.133  -5.180  -4.774
  294    HA   ASP  41           HA       ASP  41  -9.010  -7.810  -3.606
  295    HB2  ASP  41           HB2      ASP  41  -8.516  -6.788  -6.398
  296    HB3  ASP  41           HB1      ASP  41  -8.218  -8.457  -5.945
  297    H    SER  42           HN       SER  42  -7.197  -9.209  -3.723
  298    HA   SER  42           HA       SER  42  -4.836  -8.223  -2.675
  299    HB2  SER  42           HB2      SER  42  -5.232 -10.797  -4.191
  300    HB3  SER  42           HB1      SER  42  -4.082 -10.472  -2.879
  301    H    LEU  43           HN       LEU  43  -5.804  -8.936  -5.963
  302    HA   LEU  43           HA       LEU  43  -3.255  -8.715  -7.162
  303    HB2  LEU  43           HB2      LEU  43  -6.015  -8.393  -8.352
  304    HB3  LEU  43           HB1      LEU  43  -4.559  -8.284  -9.310
  305    HG   LEU  43           HG       LEU  43  -5.456 -10.433  -9.658
  306   HD11  LEU  43          HD11      LEU  43  -3.164 -10.672  -7.741
  307   HD12  LEU  43          HD12      LEU  43  -3.076 -10.413  -9.485
  308   HD13  LEU  43          HD13      LEU  43  -3.713 -11.928  -8.850
  309   HD21  LEU  43          HD21      LEU  43  -5.930 -12.043  -7.867
  310   HD22  LEU  43          HD22      LEU  43  -6.936 -10.605  -7.731
  311   HD23  LEU  43          HD23      LEU  43  -5.547 -10.811  -6.662
  312    H    ALA  44           HN       ALA  44  -5.707  -6.387  -6.332
  313    HA   ALA  44           HA       ALA  44  -4.580  -4.207  -7.750
  314    HB1  ALA  44           HB1      ALA  44  -6.927  -4.220  -7.033
  315    HB2  ALA  44           HB2      ALA  44  -6.072  -2.825  -6.381
  316    HB3  ALA  44           HB3      ALA  44  -6.412  -4.214  -5.347
  317    H    LEU  45           HN       LEU  45  -4.072  -5.678  -4.646
  318    HA   LEU  45           HA       LEU  45  -2.558  -3.561  -3.521
  319    HB2  LEU  45           HB2      LEU  45  -2.466  -6.490  -2.858
  320    HB3  LEU  45           HB1      LEU  45  -1.873  -5.180  -1.856
  321    HG   LEU  45           HG       LEU  45  -4.736  -5.757  -2.553
  322   HD11  LEU  45          HD11      LEU  45  -4.951  -6.145  -0.154
  323   HD12  LEU  45          HD12      LEU  45  -3.219  -5.861   0.036
  324   HD13  LEU  45          HD13      LEU  45  -3.789  -7.248  -0.895
  325   HD21  LEU  45          HD21      LEU  45  -4.339  -3.362  -2.496
  326   HD22  LEU  45          HD22      LEU  45  -3.542  -3.524  -0.929
  327   HD23  LEU  45          HD23      LEU  45  -5.262  -3.875  -1.082
  328    H    MET  46           HN       MET  46  -1.774  -6.558  -5.181
  329    HA   MET  46           HA       MET  46   1.036  -6.366  -5.098
  330    HB2  MET  46           HB2      MET  46  -0.725  -7.629  -7.206
  331    HB3  MET  46           HB1      MET  46   1.006  -7.886  -7.066
  332    HG2  MET  46           HG2      MET  46   0.701  -8.956  -4.908
  333    HG3  MET  46           HG1      MET  46  -1.024  -8.611  -4.969
  334    HE1  MET  46           HE1      MET  46  -0.960 -12.496  -5.503
  335    HE2  MET  46           HE2      MET  46  -1.644 -11.171  -4.563
  336    HE3  MET  46           HE3      MET  46   0.077 -11.539  -4.445
  337    H    GLU  47           HN       GLU  47  -1.318  -5.283  -7.493
  338    HA   GLU  47           HA       GLU  47   0.411  -4.116  -9.341
  339    HB2  GLU  47           HB2      GLU  47  -2.029  -4.657  -9.653
  340    HB3  GLU  47           HB1      GLU  47  -2.425  -3.329  -8.593
  341    HG2  GLU  47           HG2      GLU  47  -1.006  -2.980 -11.227
  342    HG3  GLU  47           HG1      GLU  47  -2.753  -2.924 -11.036
  343    H    THR  48           HN       THR  48  -1.172  -2.776  -6.474
  344    HA   THR  48           HA       THR  48  -0.226  -0.156  -6.656
  345    HB   THR  48           HB       THR  48  -1.077  -1.829  -4.296
  346    HG1  THR  48           HG1      THR  48  -2.759  -1.411  -5.592
  347   HG21  THR  48          HG21      THR  48  -1.282   0.280  -3.016
  348   HG22  THR  48          HG22      THR  48  -0.558   1.164  -4.356
  349   HG23  THR  48          HG23      THR  48   0.398  -0.025  -3.465
  350    H    ALA  49           HN       ALA  49   1.131  -2.917  -4.821
  351    HA   ALA  49           HA       ALA  49   3.355  -1.485  -3.902
  352    HB1  ALA  49           HB1      ALA  49   2.643  -3.585  -2.866
  353    HB2  ALA  49           HB2      ALA  49   4.338  -3.643  -3.336
  354    HB3  ALA  49           HB3      ALA  49   3.122  -4.467  -4.318
  355    H    ALA  50           HN       ALA  50   2.804  -3.210  -6.911
  356    HA   ALA  50           HA       ALA  50   5.438  -3.175  -7.887
  357    HB1  ALA  50           HB1      ALA  50   3.635  -4.486  -8.930
  358    HB2  ALA  50           HB2      ALA  50   4.425  -3.437 -10.108
  359    HB3  ALA  50           HB3      ALA  50   2.853  -2.993  -9.446
  360    H    ARG  51           HN       ARG  51   2.784  -0.787  -8.230
  361    HA   ARG  51           HA       ARG  51   4.108   1.130  -9.694
  362    HB2  ARG  51           HB2      ARG  51   1.710   1.058  -9.336
  363    HB3  ARG  51           HB1      ARG  51   1.909   1.325  -7.619
  364    HG2  ARG  51           HG2      ARG  51   2.762   3.562  -8.068
  365    HG3  ARG  51           HG1      ARG  51   2.672   3.151  -9.795
  366    HD2  ARG  51           HD2      ARG  51   0.745   4.565  -9.017
  367    HD3  ARG  51           HD1      ARG  51   0.251   3.032  -9.711
  368    HE   ARG  51           HE       ARG  51   0.083   3.857  -6.912
  369   HH11  ARG  51          HH11      ARG  51  -0.415   1.318  -9.314
  370   HH12  ARG  51          HH12      ARG  51  -1.542   0.421  -8.466
  371   HH21  ARG  51          HH21      ARG  51  -1.500   2.733  -5.688
  372   HH22  ARG  51          HH22      ARG  51  -2.160   1.229  -6.196
  373    H    LEU  52           HN       LEU  52   4.113   0.371  -6.307
  374    HA   LEU  52           HA       LEU  52   5.499   2.725  -5.508
  375    HB2  LEU  52           HB2      LEU  52   5.050   0.130  -4.045
  376    HB3  LEU  52           HB1      LEU  52   5.674   1.605  -3.321
  377    HG   LEU  52           HG       LEU  52   2.921   1.280  -4.520
  378   HD11  LEU  52          HD11      LEU  52   3.779   1.435  -1.648
  379   HD12  LEU  52          HD12      LEU  52   3.128   0.020  -2.475
  380   HD13  LEU  52          HD13      LEU  52   2.113   1.442  -2.227
  381   HD21  LEU  52          HD21      LEU  52   3.741   3.560  -4.725
  382   HD22  LEU  52          HD22      LEU  52   4.148   3.581  -3.010
  383   HD23  LEU  52          HD23      LEU  52   2.464   3.463  -3.515
  384    H    GLU  53           HN       GLU  53   6.451  -0.609  -6.267
  385    HA   GLU  53           HA       GLU  53   9.123  -0.604  -5.504
  386    HB2  GLU  53           HB2      GLU  53   7.964  -1.839  -8.011
  387    HB3  GLU  53           HB1      GLU  53   9.561  -2.160  -7.389
  388    HG2  GLU  53           HG2      GLU  53   8.493  -3.141  -5.373
  389    HG3  GLU  53           HG1      GLU  53   6.929  -2.930  -6.180
  390    H    SER  54           HN       SER  54   7.724   0.215  -8.614
  391    HA   SER  54           HA       SER  54  10.136   0.874  -9.862
  392    HB2  SER  54           HB2      SER  54   8.512   1.851 -11.597
  393    HB3  SER  54           HB1      SER  54   8.426   0.123 -11.256
  394    HG   SER  54           HG       SER  54   6.526   0.370 -10.333
  395    H    ARG  55           HN       ARG  55   7.606   2.889  -8.449
  396    HA   ARG  55           HA       ARG  55   8.808   5.307  -9.338
  397    HB2  ARG  55           HB2      ARG  55   6.398   5.066  -8.999
  398    HB3  ARG  55           HB1      ARG  55   6.660   4.865  -7.279
  399    HG2  ARG  55           HG2      ARG  55   7.324   7.119  -7.022
  400    HG3  ARG  55           HG1      ARG  55   7.447   7.352  -8.772
  401    HD2  ARG  55           HD2      ARG  55   4.920   6.771  -7.230
  402    HD3  ARG  55           HD1      ARG  55   5.384   8.332  -7.921
  403    HE   ARG  55           HE       ARG  55   5.509   6.644 -10.029
  404   HH11  ARG  55          HH11      ARG  55   2.922   7.494  -7.789
  405   HH12  ARG  55          HH12      ARG  55   1.676   7.070  -8.864
  406   HH21  ARG  55          HH21      ARG  55   3.809   6.080 -11.505
  407   HH22  ARG  55          HH22      ARG  55   2.191   6.264 -11.040
  408    H    TYR  56           HN       TYR  56   8.924   3.562  -6.252
  409    HA   TYR  56           HA       TYR  56  10.440   5.792  -5.150
  410    HB2  TYR  56           HB2      TYR  56   9.216   3.393  -3.789
  411    HB3  TYR  56           HB1      TYR  56  10.185   4.612  -2.961
  412    HD1  TYR  56           HD2      TYR  56   7.044   4.034  -4.808
  413    HD2  TYR  56           HD1      TYR  56   9.252   6.734  -2.375
  414    HE1  TYR  56           HE2      TYR  56   5.041   5.415  -4.539
  415    HE2  TYR  56           HE1      TYR  56   7.242   8.129  -2.097
  416    HH   TYR  56           HH       TYR  56   4.149   7.009  -3.057
  417    H    GLY  57           HN       GLY  57  11.139   3.089  -6.802
  418    HA2  GLY  57           HA2      GLY  57  13.169   2.139  -7.299
  419    HA3  GLY  57           HA1      GLY  57  13.923   3.335  -6.254
  420    H    VAL  58           HN       VAL  58  11.843   0.499  -5.983
  421    HA   VAL  58           HA       VAL  58  13.693  -0.783  -4.197
  422    HB   VAL  58           HB       VAL  58  12.243   0.710  -2.743
  423   HG11  VAL  58          HG11      VAL  58  10.189   0.682  -3.921
  424   HG12  VAL  58          HG12      VAL  58   9.920   0.093  -2.280
  425   HG13  VAL  58          HG13      VAL  58   9.985  -1.045  -3.623
  426   HG21  VAL  58          HG21      VAL  58  11.743  -0.918  -1.009
  427   HG22  VAL  58          HG22      VAL  58  13.291  -1.299  -1.767
  428   HG23  VAL  58          HG23      VAL  58  11.847  -2.230  -2.171
  429    H    SER  59           HN       SER  59  12.623  -3.109  -3.678
  430    HA   SER  59           HA       SER  59  10.617  -3.767  -5.654
  431    HB2  SER  59           HB2      SER  59  12.964  -4.351  -6.491
  432    HB3  SER  59           HB1      SER  59  13.053  -5.496  -5.156
  433    HG   SER  59           HG       SER  59  10.781  -5.614  -6.727
  434    H    ILE  60           HN       ILE  60   9.153  -5.215  -4.887
  435    HA   ILE  60           HA       ILE  60   9.555  -6.402  -2.232
  436    HB   ILE  60           HB       ILE  60   7.130  -4.750  -3.048
  437   HG12  ILE  60          HG12      ILE  60   9.144  -4.300  -0.831
  438   HG13  ILE  60          HG11      ILE  60   9.043  -3.386  -2.334
  439   HG21  ILE  60          HG21      ILE  60   6.413  -6.700  -1.782
  440   HG22  ILE  60          HG22      ILE  60   6.214  -5.236  -0.817
  441   HG23  ILE  60          HG23      ILE  60   7.572  -6.318  -0.506
  442   HD11  ILE  60          HD11      ILE  60   8.076  -2.173  -0.476
  443   HD12  ILE  60          HD12      ILE  60   6.939  -3.493  -0.193
  444   HD13  ILE  60          HD13      ILE  60   6.859  -2.561  -1.687
  445    HA   PRO  61           HA       PRO  61   7.962  -9.943  -4.461
  446    HB2  PRO  61           HB2      PRO  61   7.115 -10.712  -1.703
  447    HB3  PRO  61           HB1      PRO  61   8.000 -11.655  -2.909
  448    HG2  PRO  61           HG2      PRO  61   9.289 -10.610  -0.848
  449    HG3  PRO  61           HG1      PRO  61  10.013 -10.578  -2.469
  450    HD2  PRO  61           HD2      PRO  61   8.685  -8.380  -0.939
  451    HD3  PRO  61           HD1      PRO  61  10.117  -8.317  -1.987
  452    H    ASP  62           HN       ASP  62   6.125 -10.069  -5.476
  453    HA   ASP  62           HA       ASP  62   3.941  -8.390  -4.923
  454    HB2  ASP  62           HB2      ASP  62   2.848  -9.445  -6.847
  455    HB3  ASP  62           HB1      ASP  62   4.516  -9.008  -7.202
  456    H    ASP  63           HN       ASP  63   4.461 -11.812  -4.248
  457    HA   ASP  63           HA       ASP  63   1.707 -12.353  -3.772
  458    HB2  ASP  63           HB2      ASP  63   3.411 -14.113  -4.283
  459    HB3  ASP  63           HB1      ASP  63   4.076 -13.877  -2.668
  460    H    VAL  64           HN       VAL  64   4.192 -11.016  -1.932
  461    HA   VAL  64           HA       VAL  64   3.062 -11.223   0.708
  462    HB   VAL  64           HB       VAL  64   5.001  -9.336  -0.550
  463   HG11  VAL  64          HG11      VAL  64   5.789  -8.900   1.805
  464   HG12  VAL  64          HG12      VAL  64   4.476  -9.924   2.391
  465   HG13  VAL  64          HG13      VAL  64   4.110  -8.416   1.555
  466   HG21  VAL  64          HG21      VAL  64   6.765 -10.726   0.521
  467   HG22  VAL  64          HG22      VAL  64   5.813 -11.596  -0.681
  468   HG23  VAL  64          HG23      VAL  64   5.510 -11.849   1.038
  469    H    ALA  65           HN       ALA  65   3.188  -8.753  -1.808
  470    HA   ALA  65           HA       ALA  65   1.676  -6.785  -0.524
  471    HB1  ALA  65           HB1      ALA  65   1.787  -7.425  -3.472
  472    HB2  ALA  65           HB2      ALA  65   2.898  -6.365  -2.601
  473    HB3  ALA  65           HB3      ALA  65   1.201  -5.917  -2.772
  474    H    GLY  66           HN       GLY  66   0.718  -9.523  -2.508
  475    HA2  GLY  66           HA2      GLY  66  -2.107  -9.030  -2.017
  476    HA3  GLY  66           HA1      GLY  66  -1.428 -10.370  -2.938
  477    H    ARG  67           HN       ARG  67  -1.010  -9.188   0.319
  478    HA   ARG  67           HA       ARG  67  -2.230 -11.545   1.490
  479    HB2  ARG  67           HB2      ARG  67   0.087 -12.280   1.155
  480    HB3  ARG  67           HB1      ARG  67   0.672 -10.857   2.003
  481    HG2  ARG  67           HG2      ARG  67  -0.417 -11.656   4.055
  482    HG3  ARG  67           HG1      ARG  67  -0.955 -13.096   3.191
  483    HD2  ARG  67           HD2      ARG  67   1.365 -13.701   2.744
  484    HD3  ARG  67           HD1      ARG  67   1.909 -12.252   3.588
  485    HE   ARG  67           HE       ARG  67   0.256 -13.745   5.285
  486   HH11  ARG  67          HH11      ARG  67   3.525 -13.843   3.907
  487   HH12  ARG  67          HH12      ARG  67   4.132 -14.913   5.078
  488   HH21  ARG  67          HH21      ARG  67   1.094 -15.048   6.927
  489   HH22  ARG  67          HH22      ARG  67   2.746 -15.545   6.926
  490    H    VAL  68           HN       VAL  68  -0.569  -8.472   1.877
  491    HA   VAL  68           HA       VAL  68  -1.120  -8.011   4.555
  492    HB   VAL  68           HB       VAL  68  -0.701  -5.617   4.076
  493   HG11  VAL  68          HG11      VAL  68   1.562  -5.873   3.185
  494   HG12  VAL  68          HG12      VAL  68   1.160  -7.506   2.652
  495   HG13  VAL  68          HG13      VAL  68   1.168  -7.118   4.372
  496   HG21  VAL  68          HG21      VAL  68  -0.160  -4.871   1.790
  497   HG22  VAL  68          HG22      VAL  68  -1.835  -5.408   1.902
  498   HG23  VAL  68          HG23      VAL  68  -0.622  -6.455   1.167
  499    H    ASP  69           HN       ASP  69  -2.981  -7.979   5.532
  500    HA   ASP  69           HA       ASP  69  -5.491  -7.587   4.191
  501    HB2  ASP  69           HB2      ASP  69  -4.864  -7.757   7.141
  502    HB3  ASP  69           HB1      ASP  69  -6.487  -7.696   6.471
  503    H    THR  70           HN       THR  70  -3.535  -5.787   6.416
  504    HA   THR  70           HA       THR  70  -5.328  -3.511   6.067
  505    HB   THR  70           HB       THR  70  -4.268  -2.642   8.185
  506    HG1  THR  70           HG1      THR  70  -3.053  -5.214   8.093
  507   HG21  THR  70          HG21      THR  70  -5.710  -5.287   8.383
  508   HG22  THR  70          HG22      THR  70  -6.464  -3.704   8.218
  509   HG23  THR  70          HG23      THR  70  -5.559  -4.100   9.681
  510    HA   PRO  71           HA       PRO  71  -2.223  -1.292   3.818
  511    HB2  PRO  71           HB2      PRO  71  -3.227   1.074   5.314
  512    HB3  PRO  71           HB1      PRO  71  -3.078   0.827   3.565
  513    HG2  PRO  71           HG2      PRO  71  -5.454   0.727   4.699
  514    HG3  PRO  71           HG1      PRO  71  -5.016  -0.471   3.464
  515    HD2  PRO  71           HD2      PRO  71  -5.038  -0.756   6.449
  516    HD3  PRO  71           HD1      PRO  71  -5.654  -1.873   5.211
  517    H    ARG  72           HN       ARG  72  -2.438  -1.206   7.262
  518    HA   ARG  72           HA       ARG  72  -0.156   0.351   7.870
  519    HB2  ARG  72           HB2      ARG  72  -1.942  -0.545   9.514
  520    HB3  ARG  72           HB1      ARG  72  -1.064  -2.070   9.458
  521    HG2  ARG  72           HG2      ARG  72   0.986  -0.697  10.127
  522    HG3  ARG  72           HG1      ARG  72  -0.157   0.574  10.532
  523    HD2  ARG  72           HD2      ARG  72  -0.081  -2.208  11.687
  524    HD3  ARG  72           HD1      ARG  72   0.468  -0.748  12.482
  525    HE   ARG  72           HE       ARG  72  -2.288  -0.569  11.776
  526   HH11  ARG  72          HH11      ARG  72  -0.030  -1.883  14.170
  527   HH12  ARG  72          HH12      ARG  72  -1.211  -2.177  15.355
  528   HH21  ARG  72          HH21      ARG  72  -3.979  -0.936  13.520
  529   HH22  ARG  72          HH22      ARG  72  -3.432  -1.559  14.981
  530    H    GLU  73           HN       GLU  73  -0.678  -3.008   7.025
  531    HA   GLU  73           HA       GLU  73   1.973  -3.964   7.415
  532    HB2  GLU  73           HB2      GLU  73  -0.279  -5.038   5.715
  533    HB3  GLU  73           HB1      GLU  73   1.167  -5.916   6.169
  534    HG2  GLU  73           HG2      GLU  73   0.508  -5.981   8.447
  535    HG3  GLU  73           HG1      GLU  73  -0.819  -4.855   8.151
  536    H    LEU  74           HN       LEU  74   0.154  -2.646   4.720
  537    HA   LEU  74           HA       LEU  74   2.040  -3.209   2.622
  538    HB2  LEU  74           HB2      LEU  74  -0.534  -2.463   2.601
  539    HB3  LEU  74           HB1      LEU  74   0.165  -0.864   2.522
  540    HG   LEU  74           HG       LEU  74   0.481  -3.073   0.472
  541   HD11  LEU  74          HD11      LEU  74  -0.779  -1.598  -0.987
  542   HD12  LEU  74          HD12      LEU  74  -0.997  -0.474   0.354
  543   HD13  LEU  74          HD13      LEU  74  -1.695  -2.091   0.438
  544   HD21  LEU  74          HD21      LEU  74   1.567  -0.251   0.392
  545   HD22  LEU  74          HD22      LEU  74   1.634  -1.420  -0.925
  546   HD23  LEU  74          HD23      LEU  74   2.531  -1.719   0.563
  547    H    LEU  75           HN       LEU  75   1.374  -0.402   4.697
  548    HA   LEU  75           HA       LEU  75   3.324   1.375   3.749
  549    HB2  LEU  75           HB2      LEU  75   1.502   1.928   5.344
  550    HB3  LEU  75           HB1      LEU  75   2.313   0.993   6.578
  551    HG   LEU  75           HG       LEU  75   4.242   2.613   6.435
  552   HD11  LEU  75          HD11      LEU  75   3.860   4.752   5.381
  553   HD12  LEU  75          HD12      LEU  75   2.331   4.162   4.730
  554   HD13  LEU  75          HD13      LEU  75   3.850   3.433   4.209
  555   HD21  LEU  75          HD21      LEU  75   2.548   2.778   8.188
  556   HD22  LEU  75          HD22      LEU  75   1.544   3.764   7.124
  557   HD23  LEU  75          HD23      LEU  75   3.103   4.372   7.678
  558    H    ASP  76           HN       ASP  76   3.388  -1.072   6.264
  559    HA   ASP  76           HA       ASP  76   6.011  -0.815   7.148
  560    HB2  ASP  76           HB2      ASP  76   4.452  -2.105   8.417
  561    HB3  ASP  76           HB1      ASP  76   4.186  -3.214   7.078
  562    H    LEU  77           HN       LEU  77   4.698  -2.736   4.493
  563    HA   LEU  77           HA       LEU  77   7.009  -4.133   3.780
  564    HB2  LEU  77           HB2      LEU  77   4.865  -3.051   1.949
  565    HB3  LEU  77           HB1      LEU  77   6.093  -4.194   1.469
  566    HG   LEU  77           HG       LEU  77   3.879  -4.667   3.454
  567   HD11  LEU  77          HD11      LEU  77   3.087  -6.264   1.776
  568   HD12  LEU  77          HD12      LEU  77   4.397  -5.783   0.700
  569   HD13  LEU  77          HD13      LEU  77   3.142  -4.623   1.134
  570   HD21  LEU  77          HD21      LEU  77   6.057  -6.523   2.497
  571   HD22  LEU  77          HD22      LEU  77   4.693  -6.974   3.523
  572   HD23  LEU  77          HD23      LEU  77   5.911  -5.846   4.119
  573    H    ILE  78           HN       ILE  78   5.825  -1.029   2.627
  574    HA   ILE  78           HA       ILE  78   7.995  -0.461   0.942
  575    HB   ILE  78           HB       ILE  78   6.078   1.418   2.345
  576   HG12  ILE  78          HG12      ILE  78   5.033  -0.149   0.761
  577   HG13  ILE  78          HG11      ILE  78   4.945   1.510   0.182
  578   HG21  ILE  78          HG21      ILE  78   8.064   2.660   1.769
  579   HG22  ILE  78          HG22      ILE  78   6.771   3.072   0.628
  580   HG23  ILE  78          HG23      ILE  78   8.056   1.975   0.144
  581   HD11  ILE  78          HD11      ILE  78   6.826   1.076  -1.330
  582   HD12  ILE  78          HD12      ILE  78   5.482  -0.016  -1.629
  583   HD13  ILE  78          HD13      ILE  78   6.901  -0.586  -0.752
  584    H    ASN  79           HN       ASN  79   7.315   0.807   4.204
  585    HA   ASN  79           HA       ASN  79   9.691   2.272   4.475
  586    HB2  ASN  79           HB2      ASN  79   8.035   1.004   6.670
  587    HB3  ASN  79           HB1      ASN  79   9.281   2.214   6.925
  588   HD21  ASN  79          HD21      ASN  79   8.503   3.909   4.603
  589   HD22  ASN  79          HD22      ASN  79   6.975   4.568   5.056
  590    H    GLY  80           HN       GLY  80   8.975  -1.060   5.435
  591    HA2  GLY  80           HA2      GLY  80  11.469  -1.585   6.641
  592    HA3  GLY  80           HA1      GLY  80  10.314  -2.779   6.070
  593    H    ALA  81           HN       ALA  81  10.257  -2.219   3.340
  594    HA   ALA  81           HA       ALA  81  12.598  -3.561   2.506
  595    HB1  ALA  81           HB1      ALA  81  10.525  -2.172   0.814
  596    HB2  ALA  81           HB2      ALA  81  10.437  -3.838   1.386
  597    HB3  ALA  81           HB3      ALA  81  11.705  -3.361   0.259
  598    H    LEU  82           HN       LEU  82  11.589  -0.189   2.378
  599    HA   LEU  82           HA       LEU  82  13.675   0.701   0.723
  600    HB2  LEU  82           HB2      LEU  82  12.041   2.186   2.761
  601    HB3  LEU  82           HB1      LEU  82  13.241   2.963   1.750
  602    HG   LEU  82           HG       LEU  82  10.769   1.543   0.749
  603   HD11  LEU  82          HD11      LEU  82  11.440   4.475   0.917
  604   HD12  LEU  82          HD12      LEU  82  10.253   3.621   1.906
  605   HD13  LEU  82          HD13      LEU  82  10.003   3.782   0.167
  606   HD21  LEU  82          HD21      LEU  82  12.626   1.417  -0.829
  607   HD22  LEU  82          HD22      LEU  82  12.853   3.161  -0.714
  608   HD23  LEU  82          HD23      LEU  82  11.371   2.508  -1.416
  609    H    ALA  83           HN       ALA  83  13.733  -0.243   3.987
  610    HA   ALA  83           HA       ALA  83  16.079   1.197   4.734
  611    HB1  ALA  83           HB1      ALA  83  14.892  -1.318   5.920
  612    HB2  ALA  83           HB2      ALA  83  14.512   0.337   6.405
  613    HB3  ALA  83           HB3      ALA  83  16.128  -0.310   6.669
  614    H    GLU  84           HN       GLU  84  15.427  -1.656   2.947
  615    HA   GLU  84           HA       GLU  84  18.216  -2.581   3.030
  616    HB2  GLU  84           HB2      GLU  84  16.379  -4.210   3.414
  617    HB3  GLU  84           HB1      GLU  84  15.728  -3.825   1.835
  618    HG2  GLU  84           HG2      GLU  84  17.742  -4.720   0.784
  619    HG3  GLU  84           HG1      GLU  84  18.397  -5.104   2.377
  620    H    ALA  85           HN       ALA  85  15.882  -0.956   1.163
  621    HA   ALA  85           HA       ALA  85  16.588  -1.400  -1.448
  622    HB1  ALA  85           HB1      ALA  85  15.599   1.199  -0.302
  623    HB2  ALA  85           HB2      ALA  85  14.589  -0.168  -0.772
  624    HB3  ALA  85           HB3      ALA  85  15.522   0.697  -1.990
  625    H    ALA  86           HN       ALA  86  18.193  -1.050  -2.568
  626    HA   ALA  86           HA       ALA  86  19.769   1.287  -2.603
  627    HB1  ALA  86           HB1      ALA  86  21.046  -1.291  -1.628
  628    HB2  ALA  86           HB2      ALA  86  20.888   0.195  -0.691
  629    HB3  ALA  86           HB3      ALA  86  21.932   0.155  -2.112
  630   H282  PNS  87          H28A      PNS  87  -7.690 -12.397  -1.498
  631   H281  PNS  87          H28B      PNS  87  -6.776 -13.181  -0.213
  632   H303  PNS  87          H30A      PNS  87  -7.769 -13.322   2.083
  633   H302  PNS  87          H30B      PNS  87  -9.437 -12.815   2.348
  634   H301  PNS  87          H30C      PNS  87  -8.188 -11.607   2.052
  635   H313  PNS  87          H31A      PNS  87 -10.783 -11.886   0.437
  636   H312  PNS  87          H31B      PNS  87 -10.043 -11.739  -1.155
  637   H311  PNS  87          H31C      PNS  87  -9.526 -10.682   0.158
  638    H32  PNS  87          H32A      PNS  87  -9.351 -14.236  -1.138
  639    H33  PNS  87          H33A      PNS  87 -11.240 -13.979  -0.233
  640    H36  PNS  87          H36A      PNS  87 -10.035 -16.070   1.055
  641   H372  PNS  87          H37A      PNS  87  -7.824 -17.870   0.948
  642   H371  PNS  87          H37B      PNS  87  -7.942 -17.142   2.554
  643   H382  PNS  87          H38A      PNS  87 -10.145 -18.654   1.130
  644   H381  PNS  87          H38B      PNS  87  -9.093 -19.324   2.360
  645    H41  PNS  87          H41A      PNS  87 -11.921 -19.100   2.319
  646   H422  PNS  87          H42A      PNS  87 -12.725 -18.863   4.798
  647   H421  PNS  87          H42B      PNS  87 -12.708 -17.152   4.332
  648   H431  PNS  87          H43A      PNS  87 -14.272 -17.608   2.573
  649   H432  PNS  87          H43B      PNS  87 -14.933 -18.308   4.060
  650    H44  PNS  87           H1       PNS  87 -13.368 -19.974   1.515
  Start of MODEL   14
    1    H1   MET   1           HT1      MET   1  20.612   6.432   3.084
    2    H2   MET   1           HT2      MET   1  21.273   7.276   4.391
    3    H3   MET   1           HT3      MET   1  19.927   7.892   3.543
    4    HA   MET   1           HA       MET   1  19.860   5.377   5.022
    5    HB2  MET   1           HB2      MET   1  18.863   8.138   5.765
    6    HB3  MET   1           HB1      MET   1  18.350   6.665   6.580
    7    HG2  MET   1           HG2      MET   1  20.658   6.222   7.225
    8    HG3  MET   1           HG1      MET   1  21.163   7.697   6.414
    9    HE1  MET   1           HE1      MET   1  21.841   6.918   9.412
   10    HE2  MET   1           HE2      MET   1  21.613   8.473  10.212
   11    HE3  MET   1           HE3      MET   1  22.402   8.399   8.637
   12    H    ALA   2           HN       ALA   2  17.117   5.622   5.660
   13    HA   ALA   2           HA       ALA   2  16.109   4.938   3.034
   14    HB1  ALA   2           HB1      ALA   2  14.291   3.894   4.241
   15    HB2  ALA   2           HB2      ALA   2  14.902   4.551   5.758
   16    HB3  ALA   2           HB3      ALA   2  15.850   3.358   4.869
   17    H    THR   3           HN       THR   3  14.815   6.212   1.920
   18    HA   THR   3           HA       THR   3  13.523   8.443   3.238
   19    HB   THR   3           HB       THR   3  14.606   8.981   1.140
   20    HG1  THR   3           HG1      THR   3  12.308   9.697   1.574
   21   HG21  THR   3          HG21      THR   3  14.014   7.936  -1.023
   22   HG22  THR   3          HG22      THR   3  12.975   6.795  -0.171
   23   HG23  THR   3          HG23      THR   3  14.718   6.771   0.101
   24    H    LEU   4           HN       LEU   4  11.699   7.876   4.262
   25    HA   LEU   4           HA       LEU   4  10.226   5.573   3.294
   26    HB2  LEU   4           HB2      LEU   4   9.880   7.123   5.856
   27    HB3  LEU   4           HB1      LEU   4   9.083   5.632   5.426
   28    HG   LEU   4           HG       LEU   4  12.044   5.950   5.918
   29   HD11  LEU   4          HD11      LEU   4  10.732   6.123   7.952
   30   HD12  LEU   4          HD12      LEU   4  11.619   4.597   7.910
   31   HD13  LEU   4          HD13      LEU   4   9.890   4.625   7.553
   32   HD21  LEU   4          HD21      LEU   4  11.584   4.233   4.247
   33   HD22  LEU   4          HD22      LEU   4  10.409   3.480   5.327
   34   HD23  LEU   4          HD23      LEU   4  12.119   3.506   5.761
   35    H    LEU   5           HN       LEU   5   8.361   5.709   2.353
   36    HA   LEU   5           HA       LEU   5   7.167   8.190   1.691
   37    HB2  LEU   5           HB2      LEU   5   5.503   6.980   0.533
   38    HB3  LEU   5           HB1      LEU   5   6.979   6.082   0.306
   39    HG   LEU   5           HG       LEU   5   4.770   5.318   2.231
   40   HD11  LEU   5          HD11      LEU   5   4.225   3.581   0.614
   41   HD12  LEU   5          HD12      LEU   5   5.418   4.252  -0.499
   42   HD13  LEU   5          HD13      LEU   5   4.002   5.199  -0.049
   43   HD21  LEU   5          HD21      LEU   5   6.895   4.380   2.928
   44   HD22  LEU   5          HD22      LEU   5   7.196   3.800   1.284
   45   HD23  LEU   5          HD23      LEU   5   5.878   3.120   2.231
   46    H    THR   6           HN       THR   6   5.095   8.942   2.345
   47    HA   THR   6           HA       THR   6   4.680   8.438   5.166
   48    HB   THR   6           HB       THR   6   3.292  10.468   5.124
   49    HG1  THR   6           HG1      THR   6   3.884  10.467   2.312
   50   HG21  THR   6          HG21      THR   6   5.043  12.099   4.564
   51   HG22  THR   6          HG22      THR   6   5.932  10.847   3.697
   52   HG23  THR   6          HG23      THR   6   5.715  10.724   5.444
   53    H    THR   7           HN       THR   7   2.051   9.030   5.534
   54    HA   THR   7           HA       THR   7   0.717   6.679   4.832
   55    HB   THR   7           HB       THR   7  -0.409   9.317   5.809
   56    HG1  THR   7           HG1      THR   7  -0.080   7.984   7.897
   57   HG21  THR   7          HG21      THR   7  -1.322   6.454   6.203
   58   HG22  THR   7          HG22      THR   7  -2.095   7.637   5.148
   59   HG23  THR   7          HG23      THR   7  -2.094   7.881   6.893
   60    H    ASP   8           HN       ASP   8   0.657  10.000   3.624
   61    HA   ASP   8           HA       ASP   8  -1.545   9.637   1.871
   62    HB2  ASP   8           HB2      ASP   8   0.571  11.785   1.830
   63    HB3  ASP   8           HB1      ASP   8  -0.858  11.778   0.805
   64    H    ASP   9           HN       ASP   9   1.842   9.083   1.483
   65    HA   ASP   9           HA       ASP   9   1.842   9.004  -1.363
   66    HB2  ASP   9           HB2      ASP   9   3.671   7.560   0.561
   67    HB3  ASP   9           HB1      ASP   9   3.900   7.616  -1.180
   68    H    LEU  10           HN       LEU  10   1.343   6.550   1.091
   69    HA   LEU  10           HA       LEU  10   0.916   4.379  -0.691
   70    HB2  LEU  10           HB2      LEU  10   1.381   4.062   1.695
   71    HB3  LEU  10           HB1      LEU  10  -0.122   4.861   2.106
   72    HG   LEU  10           HG       LEU  10  -1.326   3.020   0.901
   73   HD11  LEU  10          HD11      LEU  10   0.476   2.216  -0.484
   74   HD12  LEU  10          HD12      LEU  10  -0.141   0.920   0.543
   75   HD13  LEU  10          HD13      LEU  10   1.381   1.718   0.945
   76   HD21  LEU  10          HD21      LEU  10   0.370   2.258   3.263
   77   HD22  LEU  10          HD22      LEU  10  -1.095   1.427   2.743
   78   HD23  LEU  10          HD23      LEU  10  -1.181   3.091   3.322
   79    H    ARG  11           HN       ARG  11  -1.145   6.648   0.960
   80    HA   ARG  11           HA       ARG  11  -3.690   5.930   0.318
   81    HB2  ARG  11           HB2      ARG  11  -3.151   7.716   1.808
   82    HB3  ARG  11           HB1      ARG  11  -2.416   8.640   0.518
   83    HG2  ARG  11           HG2      ARG  11  -4.653   8.833  -0.524
   84    HG3  ARG  11           HG1      ARG  11  -5.328   8.048   0.915
   85    HD2  ARG  11           HD2      ARG  11  -4.315   9.800   2.314
   86    HD3  ARG  11           HD1      ARG  11  -3.727  10.600   0.859
   87    HE   ARG  11           HE       ARG  11  -6.495  10.141   0.742
   88   HH11  ARG  11          HH11      ARG  11  -4.085  12.304   2.245
   89   HH12  ARG  11          HH12      ARG  11  -5.185  13.583   2.428
   90   HH21  ARG  11          HH21      ARG  11  -8.004  11.948   1.032
   91   HH22  ARG  11          HH22      ARG  11  -7.401  13.387   1.767
   92    H    ARG  12           HN       ARG  12  -1.678   8.219  -1.555
   93    HA   ARG  12           HA       ARG  12  -3.456   8.606  -3.700
   94    HB2  ARG  12           HB2      ARG  12  -0.434   8.703  -3.846
   95    HB3  ARG  12           HB1      ARG  12  -1.564   9.485  -4.934
   96    HG2  ARG  12           HG2      ARG  12  -2.237  11.018  -3.204
   97    HG3  ARG  12           HG1      ARG  12  -1.252  10.159  -2.014
   98    HD2  ARG  12           HD2      ARG  12   0.695  10.615  -3.637
   99    HD3  ARG  12           HD1      ARG  12  -0.369  11.827  -4.340
  100    HE   ARG  12           HE       ARG  12  -0.434  12.880  -2.121
  101   HH11  ARG  12          HH11      ARG  12   2.233  10.693  -2.947
  102   HH12  ARG  12          HH12      ARG  12   3.305  11.267  -1.767
  103   HH21  ARG  12          HH21      ARG  12   1.096  13.815  -0.544
  104   HH22  ARG  12          HH22      ARG  12   2.639  13.157  -0.391
  105    H    ALA  13           HN       ALA  13  -0.786   6.371  -3.232
  106    HA   ALA  13           HA       ALA  13  -0.681   5.283  -5.810
  107    HB1  ALA  13           HB1      ALA  13   0.718   3.570  -4.833
  108    HB2  ALA  13           HB2      ALA  13   0.197   4.042  -3.214
  109    HB3  ALA  13           HB3      ALA  13   1.145   5.156  -4.197
  110    H    LEU  14           HN       LEU  14  -2.447   4.271  -2.953
  111    HA   LEU  14           HA       LEU  14  -3.257   1.771  -4.002
  112    HB2  LEU  14           HB2      LEU  14  -3.047   2.324  -1.671
  113    HB3  LEU  14           HB1      LEU  14  -4.438   3.399  -1.752
  114    HG   LEU  14           HG       LEU  14  -5.794   1.348  -2.421
  115   HD11  LEU  14          HD11      LEU  14  -3.324  -0.072  -1.452
  116   HD12  LEU  14          HD12      LEU  14  -3.943  -0.064  -3.104
  117   HD13  LEU  14          HD13      LEU  14  -4.876  -0.827  -1.818
  118   HD21  LEU  14          HD21      LEU  14  -5.899   2.306  -0.186
  119   HD22  LEU  14          HD22      LEU  14  -4.506   1.344   0.303
  120   HD23  LEU  14          HD23      LEU  14  -6.023   0.550  -0.137
  121    H    VAL  15           HN       VAL  15  -4.916   4.893  -3.644
  122    HA   VAL  15           HA       VAL  15  -7.335   4.084  -4.871
  123    HB   VAL  15           HB       VAL  15  -6.147   6.884  -4.690
  124   HG11  VAL  15          HG11      VAL  15  -9.001   6.044  -5.205
  125   HG12  VAL  15          HG12      VAL  15  -7.911   6.783  -6.376
  126   HG13  VAL  15          HG13      VAL  15  -8.441   7.701  -4.970
  127   HG21  VAL  15          HG21      VAL  15  -7.604   7.159  -2.734
  128   HG22  VAL  15          HG22      VAL  15  -6.423   5.867  -2.499
  129   HG23  VAL  15          HG23      VAL  15  -8.099   5.470  -2.874
  130    H    GLU  16           HN       GLU  16  -4.307   5.215  -6.104
  131    HA   GLU  16           HA       GLU  16  -5.017   5.923  -8.739
  132    HB2  GLU  16           HB2      GLU  16  -2.872   6.439  -7.488
  133    HB3  GLU  16           HB1      GLU  16  -2.379   4.787  -7.801
  134    HG2  GLU  16           HG2      GLU  16  -1.337   6.306  -9.352
  135    HG3  GLU  16           HG1      GLU  16  -2.448   5.235 -10.201
  136    H    SER  17           HN       SER  17  -4.505   2.860  -7.183
  137    HA   SER  17           HA       SER  17  -4.061   1.351  -9.541
  138    HB2  SER  17           HB2      SER  17  -4.871   0.490  -6.768
  139    HB3  SER  17           HB1      SER  17  -4.318  -0.588  -8.059
  140    HG   SER  17           HG       SER  17  -2.829   0.580  -6.341
  141    H    ALA  18           HN       ALA  18  -6.860   2.687  -8.146
  142    HA   ALA  18           HA       ALA  18  -8.615   0.829  -9.583
  143    HB1  ALA  18           HB1      ALA  18  -9.199   1.315  -7.249
  144    HB2  ALA  18           HB2      ALA  18 -10.421   1.956  -8.345
  145    HB3  ALA  18           HB3      ALA  18  -9.237   3.040  -7.614
  146    H    GLY  19           HN       GLY  19  -6.803   3.347 -10.280
  147    HA2  GLY  19           HA2      GLY  19  -6.894   4.664 -12.208
  148    HA3  GLY  19           HA1      GLY  19  -8.657   4.481 -12.222
  149    H    GLU  20           HN       GLU  20  -9.756   6.152 -11.554
  150    HA   GLU  20           HA       GLU  20  -8.764   7.600  -9.216
  151    HB2  GLU  20           HB2      GLU  20  -8.236   8.887 -11.366
  152    HB3  GLU  20           HB1      GLU  20  -9.970   9.034 -11.601
  153    HG2  GLU  20           HG2      GLU  20 -10.121  10.243  -9.450
  154    HG3  GLU  20           HG1      GLU  20  -8.368  10.147  -9.305
  155    H    THR  21           HN       THR  21 -10.962   5.655 -10.344
  156    HA   THR  21           HA       THR  21 -13.310   7.120  -9.572
  157    HB   THR  21           HB       THR  21 -14.378   4.946 -10.462
  158    HG1  THR  21           HG1      THR  21 -12.731   3.591 -10.910
  159   HG21  THR  21          HG21      THR  21 -14.300   5.896 -12.734
  160   HG22  THR  21          HG22      THR  21 -12.949   6.922 -12.241
  161   HG23  THR  21          HG23      THR  21 -14.539   7.146 -11.511
  162    H    ASP  22           HN       ASP  22 -12.503   7.054  -7.443
  163    HA   ASP  22           HA       ASP  22 -12.804   6.575  -5.284
  164    HB2  ASP  22           HB2      ASP  22 -15.153   6.328  -5.836
  165    HB3  ASP  22           HB1      ASP  22 -14.905   4.628  -6.221
  166    H    GLY  23           HN       GLY  23 -11.138   5.820  -4.358
  167    HA2  GLY  23           HA2      GLY  23 -10.828   2.899  -4.230
  168    HA3  GLY  23           HA1      GLY  23  -9.494   4.053  -4.027
  169    H    THR  24           HN       THR  24 -12.758   4.437  -2.950
  170    HA   THR  24           HA       THR  24 -13.751   4.883  -1.016
  171    HB   THR  24           HB       THR  24 -11.346   3.649   0.400
  172    HG1  THR  24           HG1      THR  24 -11.975   2.048  -0.851
  173   HG21  THR  24          HG21      THR  24 -12.991   3.056   2.138
  174   HG22  THR  24          HG22      THR  24 -14.269   3.830   1.199
  175   HG23  THR  24          HG23      THR  24 -12.966   4.802   1.881
  176    H    ASP  25           HN       ASP  25 -13.657   6.523   0.777
  177    HA   ASP  25           HA       ASP  25 -11.689   8.544   0.249
  178    HB2  ASP  25           HB2      ASP  25 -13.952   9.242   0.947
  179    HB3  ASP  25           HB1      ASP  25 -13.760   8.368   2.462
  180    H    LEU  26           HN       LEU  26  -9.803   7.865   0.662
  181    HA   LEU  26           HA       LEU  26  -9.274   6.222   2.985
  182    HB2  LEU  26           HB2      LEU  26  -8.783   5.613   0.529
  183    HB3  LEU  26           HB1      LEU  26  -7.534   6.821   0.624
  184    HG   LEU  26           HG       LEU  26  -6.534   5.517   2.522
  185   HD11  LEU  26          HD11      LEU  26  -7.171   3.162   2.686
  186   HD12  LEU  26          HD12      LEU  26  -8.490   3.438   1.549
  187   HD13  LEU  26          HD13      LEU  26  -8.508   4.224   3.128
  188   HD21  LEU  26          HD21      LEU  26  -6.772   4.169  -0.160
  189   HD22  LEU  26          HD22      LEU  26  -5.470   3.936   1.009
  190   HD23  LEU  26          HD23      LEU  26  -5.693   5.504   0.223
  191    H    SER  27           HN       SER  27  -9.336   8.114   4.319
  192    HA   SER  27           HA       SER  27  -6.772   9.511   4.285
  193    HB2  SER  27           HB2      SER  27  -8.413  11.034   3.256
  194    HB3  SER  27           HB1      SER  27  -9.438  10.879   4.679
  195    HG   SER  27           HG       SER  27  -8.217  12.762   4.802
  196    H    GLY  28           HN       GLY  28  -5.886   9.747   6.224
  197    HA2  GLY  28           HA2      GLY  28  -5.951  10.193   8.547
  198    HA3  GLY  28           HA1      GLY  28  -7.567   9.497   8.605
  199    H    ASP  29           HN       ASP  29  -7.236   8.015  10.128
  200    HA   ASP  29           HA       ASP  29  -5.008   6.220   9.816
  201    HB2  ASP  29           HB2      ASP  29  -5.738   5.253  12.026
  202    HB3  ASP  29           HB1      ASP  29  -5.273   6.944  12.079
  203    H    PHE  30           HN       PHE  30  -5.769   5.486   7.896
  204    HA   PHE  30           HA       PHE  30  -7.999   3.605   7.995
  205    HB2  PHE  30           HB2      PHE  30  -7.723   3.473   5.523
  206    HB3  PHE  30           HB1      PHE  30  -8.045   5.097   6.100
  207    HD1  PHE  30           HD2      PHE  30  -5.358   2.852   4.834
  208    HD2  PHE  30           HD1      PHE  30  -6.555   6.860   5.621
  209    HE1  PHE  30           HE2      PHE  30  -3.412   3.677   3.578
  210    HE2  PHE  30           HE1      PHE  30  -4.610   7.687   4.360
  211    HZ   PHE  30           HZ       PHE  30  -3.037   6.096   3.342
  212    H    LEU  31           HN       LEU  31  -4.996   3.420   8.927
  213    HA   LEU  31           HA       LEU  31  -4.004   1.247   7.336
  214    HB2  LEU  31           HB2      LEU  31  -2.931   2.405   9.923
  215    HB3  LEU  31           HB1      LEU  31  -2.126   1.191   8.966
  216    HG   LEU  31           HG       LEU  31  -1.006   3.211   8.570
  217   HD11  LEU  31          HD11      LEU  31  -1.289   3.651   6.198
  218   HD12  LEU  31          HD12      LEU  31  -2.790   2.723   6.225
  219   HD13  LEU  31          HD13      LEU  31  -1.256   1.931   6.591
  220   HD21  LEU  31          HD21      LEU  31  -2.075   5.291   7.789
  221   HD22  LEU  31          HD22      LEU  31  -2.642   4.814   9.388
  222   HD23  LEU  31          HD23      LEU  31  -3.654   4.534   7.972
  223    H    ASP  32           HN       ASP  32  -5.893   1.628  10.156
  224    HA   ASP  32           HA       ASP  32  -5.494  -1.065  11.211
  225    HB2  ASP  32           HB2      ASP  32  -7.711   0.881  11.886
  226    HB3  ASP  32           HB1      ASP  32  -7.256  -0.547  12.792
  227    H    LEU  33           HN       LEU  33  -7.455   0.512   8.928
  228    HA   LEU  33           HA       LEU  33  -9.750  -1.187   9.093
  229    HB2  LEU  33           HB2      LEU  33  -8.877   0.697   6.900
  230    HB3  LEU  33           HB1      LEU  33 -10.446  -0.066   7.016
  231    HG   LEU  33           HG       LEU  33  -9.335   1.988   8.934
  232   HD11  LEU  33          HD11      LEU  33  -9.932   2.937   6.784
  233   HD12  LEU  33          HD12      LEU  33 -11.086   3.434   8.024
  234   HD13  LEU  33          HD13      LEU  33 -11.521   2.178   6.868
  235   HD21  LEU  33          HD21      LEU  33 -12.043   0.652   8.859
  236   HD22  LEU  33          HD22      LEU  33 -11.571   1.972   9.935
  237   HD23  LEU  33          HD23      LEU  33 -10.793   0.399  10.079
  238    H    ARG  34           HN       ARG  34 -10.291  -2.796   7.669
  239    HA   ARG  34           HA       ARG  34  -7.942  -4.112   6.532
  240    HB2  ARG  34           HB2      ARG  34 -10.777  -5.112   6.789
  241    HB3  ARG  34           HB1      ARG  34  -9.419  -6.053   6.199
  242    HG2  ARG  34           HG2      ARG  34  -8.336  -5.764   8.417
  243    HG3  ARG  34           HG1      ARG  34  -9.819  -4.984   8.981
  244    HD2  ARG  34           HD2      ARG  34  -9.816  -7.343   9.580
  245    HD3  ARG  34           HD1      ARG  34 -11.084  -7.007   8.395
  246    HE   ARG  34           HE       ARG  34  -8.468  -7.998   7.554
  247   HH11  ARG  34          HH11      ARG  34 -11.946  -8.607   7.872
  248   HH12  ARG  34          HH12      ARG  34 -11.978  -9.856   6.698
  249   HH21  ARG  34          HH21      ARG  34  -8.506  -9.689   5.992
  250   HH22  ARG  34          HH22      ARG  34  -9.957 -10.490   5.549
  251    H    PHE  35           HN       PHE  35  -7.716  -4.663   4.368
  252    HA   PHE  35           HA       PHE  35  -8.884  -2.939   2.468
  253    HB2  PHE  35           HB2      PHE  35  -7.468  -5.570   2.071
  254    HB3  PHE  35           HB1      PHE  35  -7.992  -4.537   0.751
  255    HD1  PHE  35           HD2      PHE  35  -7.218  -1.968   1.220
  256    HD2  PHE  35           HD1      PHE  35  -5.251  -5.491   2.537
  257    HE1  PHE  35           HE2      PHE  35  -5.126  -0.711   1.433
  258    HE2  PHE  35           HE1      PHE  35  -3.148  -4.232   2.758
  259    HZ   PHE  35           HZ       PHE  35  -3.017  -1.942   1.959
  260    H    GLU  36           HN       GLU  36  -9.783  -6.022   3.646
  261    HA   GLU  36           HA       GLU  36 -11.671  -6.847   1.743
  262    HB2  GLU  36           HB2      GLU  36 -10.667  -8.143   3.686
  263    HB3  GLU  36           HB1      GLU  36 -11.791  -7.291   4.728
  264    HG2  GLU  36           HG2      GLU  36 -12.679  -9.440   4.266
  265    HG3  GLU  36           HG1      GLU  36 -13.647  -8.253   3.393
  266    H    ASP  37           HN       ASP  37 -11.840  -4.700   4.519
  267    HA   ASP  37           HA       ASP  37 -14.679  -4.387   4.552
  268    HB2  ASP  37           HB2      ASP  37 -13.407  -4.197   6.597
  269    HB3  ASP  37           HB1      ASP  37 -12.440  -2.897   5.928
  270    H    ILE  38           HN       ILE  38 -12.069  -2.839   2.912
  271    HA   ILE  38           HA       ILE  38 -13.902  -0.726   2.077
  272    HB   ILE  38           HB       ILE  38 -11.942   0.514   1.188
  273   HG12  ILE  38          HG12      ILE  38 -10.317  -1.670   2.531
  274   HG13  ILE  38          HG11      ILE  38 -10.454  -1.430   0.796
  275   HG21  ILE  38          HG21      ILE  38 -12.791   1.013   3.395
  276   HG22  ILE  38          HG22      ILE  38 -11.030   1.170   3.385
  277   HG23  ILE  38          HG23      ILE  38 -11.791  -0.260   4.095
  278   HD11  ILE  38          HD11      ILE  38  -9.340   0.737   1.015
  279   HD12  ILE  38          HD12      ILE  38  -8.346  -0.575   1.650
  280   HD13  ILE  38          HD13      ILE  38  -9.209   0.488   2.759
  281    H    GLY  39           HN       GLY  39 -13.654  -3.553   1.103
  282    HA2  GLY  39           HA2      GLY  39 -14.217  -4.625  -0.846
  283    HA3  GLY  39           HA1      GLY  39 -14.536  -3.047  -1.530
  284    H    TYR  40           HN       TYR  40 -11.329  -3.773  -0.350
  285    HA   TYR  40           HA       TYR  40 -10.388  -3.523  -3.058
  286    HB2  TYR  40           HB2      TYR  40  -9.297  -2.982  -0.405
  287    HB3  TYR  40           HB1      TYR  40  -8.178  -3.768  -1.515
  288    HD1  TYR  40           HD1      TYR  40 -10.584  -0.959  -1.387
  289    HD2  TYR  40           HD2      TYR  40  -6.931  -2.434  -2.973
  290    HE1  TYR  40           HE1      TYR  40 -10.204   1.198  -2.415
  291    HE2  TYR  40           HE2      TYR  40  -6.507  -0.252  -4.037
  292    HH   TYR  40           HH       TYR  40  -8.441   2.536  -3.330
  293    H    ASP  41           HN       ASP  41  -9.093  -4.933  -4.036
  294    HA   ASP  41           HA       ASP  41  -9.129  -7.659  -2.971
  295    HB2  ASP  41           HB2      ASP  41  -9.029  -8.415  -5.338
  296    HB3  ASP  41           HB1      ASP  41 -10.496  -7.522  -4.965
  297    H    SER  42           HN       SER  42  -7.395  -9.000  -3.718
  298    HA   SER  42           HA       SER  42  -4.910  -8.197  -2.895
  299    HB2  SER  42           HB2      SER  42  -5.444 -10.393  -4.867
  300    HB3  SER  42           HB1      SER  42  -4.220 -10.334  -3.591
  301    H    LEU  43           HN       LEU  43  -6.250  -8.230  -6.162
  302    HA   LEU  43           HA       LEU  43  -3.828  -7.974  -7.610
  303    HB2  LEU  43           HB2      LEU  43  -6.604  -7.093  -8.398
  304    HB3  LEU  43           HB1      LEU  43  -5.250  -7.317  -9.485
  305    HG   LEU  43           HG       LEU  43  -6.570  -9.525  -7.908
  306   HD11  LEU  43          HD11      LEU  43  -7.505 -10.202 -10.050
  307   HD12  LEU  43          HD12      LEU  43  -6.796  -8.777 -10.811
  308   HD13  LEU  43          HD13      LEU  43  -8.055  -8.591  -9.590
  309   HD21  LEU  43          HD21      LEU  43  -5.283 -11.005  -9.365
  310   HD22  LEU  43          HD22      LEU  43  -4.216  -9.965  -8.424
  311   HD23  LEU  43          HD23      LEU  43  -4.521  -9.606 -10.123
  312    H    ALA  44           HN       ALA  44  -6.255  -5.691  -6.533
  313    HA   ALA  44           HA       ALA  44  -5.097  -3.336  -7.541
  314    HB1  ALA  44           HB1      ALA  44  -6.841  -3.637  -5.092
  315    HB2  ALA  44           HB2      ALA  44  -7.421  -3.484  -6.748
  316    HB3  ALA  44           HB3      ALA  44  -6.549  -2.150  -5.993
  317    H    LEU  45           HN       LEU  45  -4.456  -5.162  -4.670
  318    HA   LEU  45           HA       LEU  45  -3.043  -3.105  -3.332
  319    HB2  LEU  45           HB2      LEU  45  -2.815  -6.068  -2.923
  320    HB3  LEU  45           HB1      LEU  45  -2.344  -4.830  -1.785
  321    HG   LEU  45           HG       LEU  45  -5.159  -5.427  -2.656
  322   HD11  LEU  45          HD11      LEU  45  -4.260  -7.123  -1.181
  323   HD12  LEU  45          HD12      LEU  45  -5.473  -6.145  -0.350
  324   HD13  LEU  45          HD13      LEU  45  -3.759  -5.880  -0.034
  325   HD21  LEU  45          HD21      LEU  45  -5.791  -3.791  -0.942
  326   HD22  LEU  45          HD22      LEU  45  -4.850  -3.069  -2.251
  327   HD23  LEU  45          HD23      LEU  45  -4.081  -3.411  -0.705
  328    H    MET  46           HN       MET  46  -2.140  -5.924  -5.260
  329    HA   MET  46           HA       MET  46   0.675  -5.582  -5.089
  330    HB2  MET  46           HB2      MET  46  -0.943  -6.982  -7.239
  331    HB3  MET  46           HB1      MET  46   0.798  -7.108  -7.053
  332    HG2  MET  46           HG2      MET  46   0.474  -8.139  -4.841
  333    HG3  MET  46           HG1      MET  46  -1.273  -8.031  -5.069
  334    HE1  MET  46           HE1      MET  46  -1.806 -10.487  -8.100
  335    HE2  MET  46           HE2      MET  46  -1.496  -8.753  -8.200
  336    HE3  MET  46           HE3      MET  46  -2.585  -9.386  -6.965
  337    H    GLU  47           HN       GLU  47  -1.750  -4.499  -7.346
  338    HA   GLU  47           HA       GLU  47  -0.242  -3.192  -9.289
  339    HB2  GLU  47           HB2      GLU  47  -2.679  -3.638  -9.344
  340    HB3  GLU  47           HB1      GLU  47  -2.920  -2.456  -8.079
  341    HG2  GLU  47           HG2      GLU  47  -3.590  -1.534 -10.179
  342    HG3  GLU  47           HG1      GLU  47  -2.154  -0.696  -9.614
  343    H    THR  48           HN       THR  48  -1.231  -2.231  -6.097
  344    HA   THR  48           HA       THR  48  -0.377   0.476  -6.188
  345    HB   THR  48           HB       THR  48  -1.038  -1.400  -3.916
  346    HG1  THR  48           HG1      THR  48  -2.873  -1.029  -4.978
  347   HG21  THR  48          HG21      THR  48  -1.281   0.598  -2.527
  348   HG22  THR  48          HG22      THR  48  -0.695   1.613  -3.854
  349   HG23  THR  48          HG23      THR  48   0.379   0.428  -3.097
  350    H    ALA  49           HN       ALA  49   0.958  -2.396  -4.480
  351    HA   ALA  49           HA       ALA  49   3.254  -1.215  -3.469
  352    HB1  ALA  49           HB1      ALA  49   4.152  -3.458  -3.234
  353    HB2  ALA  49           HB2      ALA  49   2.953  -4.073  -4.370
  354    HB3  ALA  49           HB3      ALA  49   2.439  -3.434  -2.810
  355    H    ALA  50           HN       ALA  50   2.822  -2.814  -6.602
  356    HA   ALA  50           HA       ALA  50   5.457  -2.738  -7.469
  357    HB1  ALA  50           HB1      ALA  50   4.595  -3.093  -9.696
  358    HB2  ALA  50           HB2      ALA  50   2.986  -2.584  -9.185
  359    HB3  ALA  50           HB3      ALA  50   3.693  -4.063  -8.531
  360    H    ARG  51           HN       ARG  51   3.130  -0.111  -7.392
  361    HA   ARG  51           HA       ARG  51   4.720   1.471  -9.246
  362    HB2  ARG  51           HB2      ARG  51   3.055   3.145  -9.172
  363    HB3  ARG  51           HB1      ARG  51   2.151   1.652  -9.049
  364    HG2  ARG  51           HG2      ARG  51   1.907   1.980  -6.641
  365    HG3  ARG  51           HG1      ARG  51   2.869   3.455  -6.740
  366    HD2  ARG  51           HD2      ARG  51   0.617   4.152  -6.685
  367    HD3  ARG  51           HD1      ARG  51   1.132   4.322  -8.360
  368    HE   ARG  51           HE       ARG  51  -0.676   2.296  -7.268
  369   HH11  ARG  51          HH11      ARG  51   0.639   4.052 -10.060
  370   HH12  ARG  51          HH12      ARG  51  -0.333   3.263 -11.209
  371   HH21  ARG  51          HH21      ARG  51  -2.082   1.292  -8.805
  372   HH22  ARG  51          HH22      ARG  51  -1.978   1.676 -10.475
  373    H    LEU  52           HN       LEU  52   4.486   0.932  -5.894
  374    HA   LEU  52           HA       LEU  52   5.756   3.373  -5.077
  375    HB2  LEU  52           HB2      LEU  52   5.230   0.786  -3.618
  376    HB3  LEU  52           HB1      LEU  52   5.933   2.207  -2.868
  377    HG   LEU  52           HG       LEU  52   3.182   2.132  -4.115
  378   HD11  LEU  52          HD11      LEU  52   3.999   2.007  -1.216
  379   HD12  LEU  52          HD12      LEU  52   3.290   0.689  -2.155
  380   HD13  LEU  52          HD13      LEU  52   2.348   2.142  -1.822
  381   HD21  LEU  52          HD21      LEU  52   2.893   4.264  -2.939
  382   HD22  LEU  52          HD22      LEU  52   4.212   4.347  -4.108
  383   HD23  LEU  52          HD23      LEU  52   4.568   4.195  -2.394
  384    H    GLU  53           HN       GLU  53   6.676   0.113  -5.834
  385    HA   GLU  53           HA       GLU  53   9.298  -0.011  -4.971
  386    HB2  GLU  53           HB2      GLU  53   8.058  -1.119  -7.463
  387    HB3  GLU  53           HB1      GLU  53   9.670  -1.518  -6.909
  388    HG2  GLU  53           HG2      GLU  53   8.669  -2.423  -4.841
  389    HG3  GLU  53           HG1      GLU  53   7.071  -2.123  -5.546
  390    H    SER  54           HN       SER  54   8.105   1.086  -8.148
  391    HA   SER  54           HA       SER  54  10.633   1.675  -9.187
  392    HB2  SER  54           HB2      SER  54   9.215   2.863 -10.921
  393    HB3  SER  54           HB1      SER  54   8.867   1.149 -10.667
  394    HG   SER  54           HG       SER  54   6.976   2.434 -10.732
  395    H    ARG  55           HN       ARG  55   8.390   3.485  -7.262
  396    HA   ARG  55           HA       ARG  55   9.576   6.006  -7.964
  397    HB2  ARG  55           HB2      ARG  55   7.151   5.869  -7.403
  398    HB3  ARG  55           HB1      ARG  55   7.595   5.431  -5.760
  399    HG2  ARG  55           HG2      ARG  55   8.729   7.543  -5.472
  400    HG3  ARG  55           HG1      ARG  55   8.341   7.990  -7.130
  401    HD2  ARG  55           HD2      ARG  55   5.973   7.975  -6.589
  402    HD3  ARG  55           HD1      ARG  55   6.341   7.467  -4.933
  403    HE   ARG  55           HE       ARG  55   7.551   9.884  -5.981
  404   HH11  ARG  55          HH11      ARG  55   5.003   8.541  -3.885
  405   HH12  ARG  55          HH12      ARG  55   5.011   9.850  -2.798
  406   HH21  ARG  55          HH21      ARG  55   7.486  11.717  -4.540
  407   HH22  ARG  55          HH22      ARG  55   6.483  11.692  -3.168
  408    H    TYR  56           HN       TYR  56   9.619   3.873  -5.118
  409    HA   TYR  56           HA       TYR  56  11.484   5.735  -3.901
  410    HB2  TYR  56           HB2      TYR  56   9.727   3.631  -2.705
  411    HB3  TYR  56           HB1      TYR  56  11.084   4.303  -1.796
  412    HD1  TYR  56           HD2      TYR  56   7.861   5.035  -3.365
  413    HD2  TYR  56           HD1      TYR  56  11.012   6.585  -0.969
  414    HE1  TYR  56           HE2      TYR  56   6.424   6.909  -2.718
  415    HE2  TYR  56           HE1      TYR  56   9.603   8.463  -0.300
  416    HH   TYR  56           HH       TYR  56   7.550   9.677  -1.004
  417    H    GLY  57           HN       GLY  57  11.904   3.242  -5.832
  418    HA2  GLY  57           HA2      GLY  57  13.826   2.118  -6.372
  419    HA3  GLY  57           HA1      GLY  57  14.651   3.074  -5.152
  420    H    VAL  58           HN       VAL  58  12.180   0.548  -5.204
  421    HA   VAL  58           HA       VAL  58  13.867  -1.056  -3.483
  422    HB   VAL  58           HB       VAL  58  12.393   0.259  -1.965
  423   HG11  VAL  58          HG11      VAL  58  10.476   0.614  -3.359
  424   HG12  VAL  58          HG12      VAL  58   9.984  -0.167  -1.856
  425   HG13  VAL  58          HG13      VAL  58  10.104  -1.110  -3.344
  426   HG21  VAL  58          HG21      VAL  58  11.758  -2.686  -2.024
  427   HG22  VAL  58          HG22      VAL  58  11.507  -1.620  -0.645
  428   HG23  VAL  58          HG23      VAL  58  13.142  -1.930  -1.237
  429    H    SER  59           HN       SER  59  13.448  -3.264  -3.712
  430    HA   SER  59           HA       SER  59  11.532  -3.943  -5.828
  431    HB2  SER  59           HB2      SER  59  13.919  -4.197  -6.510
  432    HB3  SER  59           HB1      SER  59  14.161  -5.318  -5.174
  433    HG   SER  59           HG       SER  59  12.641  -6.734  -6.186
  434    H    ILE  60           HN       ILE  60   9.868  -4.962  -5.016
  435    HA   ILE  60           HA       ILE  60  10.235  -6.878  -2.814
  436    HB   ILE  60           HB       ILE  60   7.972  -4.856  -3.095
  437   HG12  ILE  60          HG12      ILE  60  10.097  -5.081  -0.950
  438   HG13  ILE  60          HG11      ILE  60  10.063  -3.868  -2.222
  439   HG21  ILE  60          HG21      ILE  60   7.137  -6.976  -2.240
  440   HG22  ILE  60          HG22      ILE  60   7.118  -5.755  -0.968
  441   HG23  ILE  60          HG23      ILE  60   8.381  -6.984  -0.989
  442   HD11  ILE  60          HD11      ILE  60   7.976  -2.984  -1.305
  443   HD12  ILE  60          HD12      ILE  60   9.278  -2.960  -0.116
  444   HD13  ILE  60          HD13      ILE  60   8.025  -4.202  -0.033
  445    HA   PRO  61           HA       PRO  61   8.138  -9.469  -5.804
  446    HB2  PRO  61           HB2      PRO  61   7.224 -11.281  -3.858
  447    HB3  PRO  61           HB1      PRO  61   8.735 -11.415  -4.759
  448    HG2  PRO  61           HG2      PRO  61   8.259 -10.438  -1.999
  449    HG3  PRO  61           HG1      PRO  61   9.674 -11.260  -2.676
  450    HD2  PRO  61           HD2      PRO  61   9.618  -8.611  -2.126
  451    HD3  PRO  61           HD1      PRO  61  10.602  -9.286  -3.437
  452    H    ASP  62           HN       ASP  62   6.220  -8.903  -6.554
  453    HA   ASP  62           HA       ASP  62   4.377  -7.404  -5.057
  454    HB2  ASP  62           HB2      ASP  62   2.945  -7.317  -6.994
  455    HB3  ASP  62           HB1      ASP  62   4.607  -7.175  -7.526
  456    H    ASP  63           HN       ASP  63   4.632 -10.788  -5.477
  457    HA   ASP  63           HA       ASP  63   1.990 -11.598  -4.922
  458    HB2  ASP  63           HB2      ASP  63   4.596 -12.979  -4.258
  459    HB3  ASP  63           HB1      ASP  63   3.034 -13.691  -3.892
  460    H    VAL  64           HN       VAL  64   4.417 -10.341  -2.822
  461    HA   VAL  64           HA       VAL  64   3.326 -11.207  -0.342
  462    HB   VAL  64           HB       VAL  64   5.074  -8.831  -0.949
  463   HG11  VAL  64          HG11      VAL  64   4.625 -10.299   1.666
  464   HG12  VAL  64          HG12      VAL  64   4.076  -8.669   1.279
  465   HG13  VAL  64          HG13      VAL  64   5.802  -9.006   1.421
  466   HG21  VAL  64          HG21      VAL  64   5.842 -11.633  -0.157
  467   HG22  VAL  64          HG22      VAL  64   6.962 -10.278  -0.294
  468   HG23  VAL  64          HG23      VAL  64   6.112 -10.869  -1.721
  469    H    ALA  65           HN       ALA  65   2.657  -8.569  -2.507
  470    HA   ALA  65           HA       ALA  65   1.239  -6.995  -0.576
  471    HB1  ALA  65           HB1      ALA  65   2.359  -5.937  -2.474
  472    HB2  ALA  65           HB2      ALA  65   0.629  -5.590  -2.481
  473    HB3  ALA  65           HB3      ALA  65   1.293  -6.792  -3.587
  474    H    GLY  66           HN       GLY  66   0.574  -9.781  -2.280
  475    HA2  GLY  66           HA2      GLY  66  -2.309  -9.316  -2.292
  476    HA3  GLY  66           HA1      GLY  66  -1.477 -10.703  -2.990
  477    H    ARG  67           HN       ARG  67  -0.397  -9.747   0.081
  478    HA   ARG  67           HA       ARG  67  -2.102 -11.743   1.405
  479    HB2  ARG  67           HB2      ARG  67   0.211 -12.588   0.861
  480    HB3  ARG  67           HB1      ARG  67   0.848 -11.336   1.915
  481    HG2  ARG  67           HG2      ARG  67  -0.466 -12.351   3.783
  482    HG3  ARG  67           HG1      ARG  67  -0.870 -13.680   2.694
  483    HD2  ARG  67           HD2      ARG  67   1.023 -14.290   4.052
  484    HD3  ARG  67           HD1      ARG  67   1.531 -14.106   2.376
  485    HE   ARG  67           HE       ARG  67   1.836 -11.887   4.248
  486   HH11  ARG  67          HH11      ARG  67   3.326 -14.330   2.153
  487   HH12  ARG  67          HH12      ARG  67   4.895 -13.673   2.206
  488   HH21  ARG  67          HH21      ARG  67   4.036 -10.989   4.393
  489   HH22  ARG  67          HH22      ARG  67   5.310 -11.716   3.565
  490    H    VAL  68           HN       VAL  68  -1.384  -8.583   1.206
  491    HA   VAL  68           HA       VAL  68  -1.127  -8.144   4.048
  492    HB   VAL  68           HB       VAL  68  -1.004  -5.690   3.503
  493   HG11  VAL  68          HG11      VAL  68   1.237  -5.798   2.533
  494   HG12  VAL  68          HG12      VAL  68   0.951  -7.476   2.076
  495   HG13  VAL  68          HG13      VAL  68   0.996  -7.018   3.782
  496   HG21  VAL  68          HG21      VAL  68  -2.222  -5.656   1.375
  497   HG22  VAL  68          HG22      VAL  68  -0.970  -6.667   0.645
  498   HG23  VAL  68          HG23      VAL  68  -0.579  -5.034   1.171
  499    H    ASP  69           HN       ASP  69  -2.636  -7.593   5.374
  500    HA   ASP  69           HA       ASP  69  -5.342  -7.895   4.342
  501    HB2  ASP  69           HB2      ASP  69  -4.402  -9.274   6.217
  502    HB3  ASP  69           HB1      ASP  69  -4.366  -7.809   7.185
  503    H    THR  70           HN       THR  70  -3.344  -5.686   6.201
  504    HA   THR  70           HA       THR  70  -5.442  -3.651   5.969
  505    HB   THR  70           HB       THR  70  -4.365  -2.628   8.012
  506    HG1  THR  70           HG1      THR  70  -3.269  -5.088   8.694
  507   HG21  THR  70          HG21      THR  70  -5.392  -4.198   9.621
  508   HG22  THR  70          HG22      THR  70  -5.475  -5.422   8.350
  509   HG23  THR  70          HG23      THR  70  -6.428  -3.946   8.213
  510    HA   PRO  71           HA       PRO  71  -2.618  -1.178   3.587
  511    HB2  PRO  71           HB2      PRO  71  -3.389   1.127   5.301
  512    HB3  PRO  71           HB1      PRO  71  -3.469   0.957   3.544
  513    HG2  PRO  71           HG2      PRO  71  -5.675   0.837   4.988
  514    HG3  PRO  71           HG1      PRO  71  -5.438  -0.272   3.622
  515    HD2  PRO  71           HD2      PRO  71  -5.112  -0.785   6.556
  516    HD3  PRO  71           HD1      PRO  71  -5.869  -1.806   5.316
  517    H    ARG  72           HN       ARG  72  -2.464  -1.132   7.063
  518    HA   ARG  72           HA       ARG  72  -0.074   0.301   7.369
  519    HB2  ARG  72           HB2      ARG  72  -1.483  -0.249   9.292
  520    HB3  ARG  72           HB1      ARG  72  -1.139  -1.961   9.068
  521    HG2  ARG  72           HG2      ARG  72   1.202  -1.590   9.583
  522    HG3  ARG  72           HG1      ARG  72   0.919   0.146   9.729
  523    HD2  ARG  72           HD2      ARG  72  -0.316  -1.998  11.448
  524    HD3  ARG  72           HD1      ARG  72   1.026  -0.954  11.911
  525    HE   ARG  72           HE       ARG  72  -0.604   0.909  11.478
  526   HH11  ARG  72          HH11      ARG  72  -1.575  -2.282  12.734
  527   HH12  ARG  72          HH12      ARG  72  -2.955  -1.690  13.555
  528   HH21  ARG  72          HH21      ARG  72  -2.530   1.698  12.601
  529   HH22  ARG  72          HH22      ARG  72  -3.549   0.602  13.410
  530    H    GLU  73           HN       GLU  73  -0.726  -3.097   6.707
  531    HA   GLU  73           HA       GLU  73   1.973  -3.924   6.940
  532    HB2  GLU  73           HB2      GLU  73  -0.300  -5.221   5.450
  533    HB3  GLU  73           HB1      GLU  73   1.228  -5.983   5.868
  534    HG2  GLU  73           HG2      GLU  73   0.712  -5.678   8.234
  535    HG3  GLU  73           HG1      GLU  73  -0.842  -4.977   7.782
  536    H    LEU  74           HN       LEU  74  -0.034  -2.847   4.273
  537    HA   LEU  74           HA       LEU  74   1.769  -3.486   2.175
  538    HB2  LEU  74           HB2      LEU  74  -0.774  -2.705   2.190
  539    HB3  LEU  74           HB1      LEU  74  -0.077  -1.112   2.032
  540    HG   LEU  74           HG       LEU  74   0.150  -3.394   0.050
  541   HD11  LEU  74          HD11      LEU  74  -1.305  -0.787  -0.106
  542   HD12  LEU  74          HD12      LEU  74  -2.015  -2.394   0.059
  543   HD13  LEU  74          HD13      LEU  74  -1.147  -1.959  -1.412
  544   HD21  LEU  74          HD21      LEU  74   2.217  -2.063   0.016
  545   HD22  LEU  74          HD22      LEU  74   1.267  -0.591  -0.171
  546   HD23  LEU  74          HD23      LEU  74   1.271  -1.809  -1.450
  547    H    LEU  75           HN       LEU  75   1.253  -0.601   4.146
  548    HA   LEU  75           HA       LEU  75   3.226   1.066   2.992
  549    HB2  LEU  75           HB2      LEU  75   1.351   1.808   4.458
  550    HB3  LEU  75           HB1      LEU  75   2.138   1.029   5.809
  551    HG   LEU  75           HG       LEU  75   4.047   2.611   5.553
  552   HD11  LEU  75          HD11      LEU  75   3.741   4.604   4.202
  553   HD12  LEU  75          HD12      LEU  75   2.238   3.945   3.556
  554   HD13  LEU  75          HD13      LEU  75   3.774   3.151   3.206
  555   HD21  LEU  75          HD21      LEU  75   1.327   3.854   5.949
  556   HD22  LEU  75          HD22      LEU  75   2.862   4.532   6.491
  557   HD23  LEU  75          HD23      LEU  75   2.274   3.017   7.179
  558    H    ASP  76           HN       ASP  76   3.179  -1.156   5.709
  559    HA   ASP  76           HA       ASP  76   5.742  -0.725   6.750
  560    HB2  ASP  76           HB2      ASP  76   3.875  -1.843   7.939
  561    HB3  ASP  76           HB1      ASP  76   4.058  -3.231   6.880
  562    H    LEU  77           HN       LEU  77   4.575  -2.899   4.246
  563    HA   LEU  77           HA       LEU  77   6.864  -4.441   3.837
  564    HB2  LEU  77           HB2      LEU  77   4.898  -3.397   1.801
  565    HB3  LEU  77           HB1      LEU  77   6.093  -4.602   1.419
  566    HG   LEU  77           HG       LEU  77   3.733  -4.880   3.247
  567   HD11  LEU  77          HD11      LEU  77   3.244  -4.984   0.875
  568   HD12  LEU  77          HD12      LEU  77   3.072  -6.577   1.613
  569   HD13  LEU  77          HD13      LEU  77   4.505  -6.200   0.654
  570   HD21  LEU  77          HD21      LEU  77   5.940  -6.871   2.679
  571   HD22  LEU  77          HD22      LEU  77   4.453  -7.207   3.569
  572   HD23  LEU  77          HD23      LEU  77   5.633  -6.074   4.222
  573    H    ILE  78           HN       ILE  78   5.957  -1.381   2.371
  574    HA   ILE  78           HA       ILE  78   8.342  -1.085   0.859
  575    HB   ILE  78           HB       ILE  78   6.501   1.153   1.779
  576   HG12  ILE  78          HG12      ILE  78   5.157  -0.633   0.716
  577   HG13  ILE  78          HG11      ILE  78   5.211   0.810  -0.283
  578   HG21  ILE  78          HG21      ILE  78   8.608   1.885   0.774
  579   HG22  ILE  78          HG22      ILE  78   7.248   2.264  -0.278
  580   HG23  ILE  78          HG23      ILE  78   8.291   0.889  -0.649
  581   HD11  ILE  78          HD11      ILE  78   5.392  -1.212  -1.621
  582   HD12  ILE  78          HD12      ILE  78   6.823  -1.702  -0.713
  583   HD13  ILE  78          HD13      ILE  78   6.874  -0.261  -1.725
  584    H    ASN  79           HN       ASN  79   7.185   0.557   3.829
  585    HA   ASN  79           HA       ASN  79   9.445   2.070   4.444
  586    HB2  ASN  79           HB2      ASN  79   7.447   0.800   6.330
  587    HB3  ASN  79           HB1      ASN  79   8.737   1.847   6.882
  588   HD21  ASN  79          HD21      ASN  79   8.497   3.760   4.652
  589   HD22  ASN  79          HD22      ASN  79   7.006   4.579   4.933
  590    H    GLY  80           HN       GLY  80   8.706  -1.244   5.509
  591    HA2  GLY  80           HA2      GLY  80  10.941  -1.579   7.154
  592    HA3  GLY  80           HA1      GLY  80   9.959  -2.856   6.456
  593    H    ALA  81           HN       ALA  81  10.398  -2.558   3.787
  594    HA   ALA  81           HA       ALA  81  12.880  -3.825   3.463
  595    HB1  ALA  81           HB1      ALA  81  10.993  -4.154   1.931
  596    HB2  ALA  81           HB2      ALA  81  12.455  -3.685   1.066
  597    HB3  ALA  81           HB3      ALA  81  11.178  -2.500   1.353
  598    H    LEU  82           HN       LEU  82  11.888  -0.505   3.024
  599    HA   LEU  82           HA       LEU  82  14.321   0.406   1.894
  600    HB2  LEU  82           HB2      LEU  82  12.170   1.917   3.379
  601    HB3  LEU  82           HB1      LEU  82  13.514   2.671   2.543
  602    HG   LEU  82           HG       LEU  82  11.411   0.975   1.198
  603   HD11  LEU  82          HD11      LEU  82  10.550   3.082   0.318
  604   HD12  LEU  82          HD12      LEU  82  11.708   3.970   1.307
  605   HD13  LEU  82          HD13      LEU  82  10.438   3.018   2.075
  606   HD21  LEU  82          HD21      LEU  82  13.561   0.993   0.040
  607   HD22  LEU  82          HD22      LEU  82  13.566   2.757   0.073
  608   HD23  LEU  82          HD23      LEU  82  12.346   1.897  -0.862
  609    H    ALA  83           HN       ALA  83  13.064   0.439   5.225
  610    HA   ALA  83           HA       ALA  83  15.307   1.723   6.375
  611    HB1  ALA  83           HB1      ALA  83  14.406   0.986   8.523
  612    HB2  ALA  83           HB2      ALA  83  13.329  -0.140   7.697
  613    HB3  ALA  83           HB3      ALA  83  13.115   1.598   7.488
  614    H    GLU  84           HN       GLU  84  14.612  -1.565   5.613
  615    HA   GLU  84           HA       GLU  84  16.599  -2.916   7.049
  616    HB2  GLU  84           HB2      GLU  84  14.688  -3.942   5.929
  617    HB3  GLU  84           HB1      GLU  84  15.357  -3.503   4.373
  618    HG2  GLU  84           HG2      GLU  84  17.262  -4.988   4.819
  619    HG3  GLU  84           HG1      GLU  84  16.483  -5.479   6.332
  620    H    ALA  85           HN       ALA  85  16.685  -1.193   3.979
  621    HA   ALA  85           HA       ALA  85  19.404  -2.077   3.443
  622    HB1  ALA  85           HB1      ALA  85  17.779  -2.117   1.617
  623    HB2  ALA  85           HB2      ALA  85  19.105  -1.009   1.272
  624    HB3  ALA  85           HB3      ALA  85  17.542  -0.380   1.790
  625    H    ALA  86           HN       ALA  86  18.305   0.036   5.461
  626    HA   ALA  86           HA       ALA  86  19.995   2.275   4.686
  627    HB1  ALA  86           HB1      ALA  86  18.897   3.500   6.497
  628    HB2  ALA  86           HB2      ALA  86  18.004   2.047   6.946
  629    HB3  ALA  86           HB3      ALA  86  17.702   2.819   5.390
  630   H282  PNS  87          H28A      PNS  87  -7.869 -11.838  -4.367
  631   H281  PNS  87          H28B      PNS  87  -6.994 -13.332  -4.692
  632   H303  PNS  87          H30A      PNS  87  -9.721 -15.611  -3.843
  633   H302  PNS  87          H30B      PNS  87  -8.436 -15.087  -2.748
  634   H301  PNS  87          H30C      PNS  87  -8.062 -15.482  -4.427
  635   H313  PNS  87          H31A      PNS  87 -10.261 -11.958  -3.523
  636   H312  PNS  87          H31B      PNS  87  -9.763 -13.039  -2.223
  637   H311  PNS  87          H31C      PNS  87 -11.036 -13.533  -3.343
  638    H32  PNS  87          H32A      PNS  87  -8.813 -14.022  -6.299
  639    H33  PNS  87          H33A      PNS  87  -9.135 -12.146  -6.966
  640    H36  PNS  87          H36A      PNS  87 -11.443 -12.543  -6.744
  641   H372  PNS  87          H37A      PNS  87 -12.998 -14.795  -7.481
  642   H371  PNS  87          H37B      PNS  87 -13.677 -14.080  -6.014
  643   H382  PNS  87          H38A      PNS  87 -14.062 -11.987  -7.221
  644   H381  PNS  87          H38B      PNS  87 -13.145 -12.589  -8.574
  645    H41  PNS  87          H41A      PNS  87 -14.518 -15.304  -7.990
  646   H422  PNS  87          H42A      PNS  87 -17.161 -15.386  -8.323
  647   H421  PNS  87          H42B      PNS  87 -16.535 -15.195  -9.980
  648   H431  PNS  87          H43A      PNS  87 -15.195 -17.150  -9.719
  649   H432  PNS  87          H43B      PNS  87 -16.813 -17.606  -9.143
  650    H44  PNS  87           H1       PNS  87 -14.839 -18.763  -7.486
  Start of MODEL   15
    1    H1   MET   1           HT1      MET   1  19.091   4.965  -0.346
    2    H2   MET   1           HT2      MET   1  20.178   5.140   0.951
    3    H3   MET   1           HT3      MET   1  19.529   6.504   0.170
    4    HA   MET   1           HA       MET   1  17.862   4.520   1.533
    5    HB2  MET   1           HB2      MET   1  18.804   7.215   2.536
    6    HB3  MET   1           HB1      MET   1  17.524   6.265   3.275
    7    HG2  MET   1           HG2      MET   1  20.420   5.508   3.038
    8    HG3  MET   1           HG1      MET   1  19.571   6.008   4.498
    9    HE1  MET   1           HE1      MET   1  20.294   2.240   5.166
   10    HE2  MET   1           HE2      MET   1  20.451   3.887   5.778
   11    HE3  MET   1           HE3      MET   1  21.329   3.398   4.328
   12    H    ALA   2           HN       ALA   2  16.086   4.530   0.433
   13    HA   ALA   2           HA       ALA   2  15.224   6.784  -1.085
   14    HB1  ALA   2           HB1      ALA   2  14.771   4.492  -1.814
   15    HB2  ALA   2           HB2      ALA   2  13.276   5.407  -1.595
   16    HB3  ALA   2           HB3      ALA   2  13.785   4.239  -0.373
   17    H    THR   3           HN       THR   3  13.274   7.912  -0.740
   18    HA   THR   3           HA       THR   3  12.956   8.825   1.919
   19    HB   THR   3           HB       THR   3  11.134   9.225  -0.371
   20    HG1  THR   3           HG1      THR   3  13.785  10.116   0.060
   21   HG21  THR   3          HG21      THR   3  10.417  10.191   1.753
   22   HG22  THR   3          HG22      THR   3  10.861  11.482   0.635
   23   HG23  THR   3          HG23      THR   3  11.968  11.013   1.925
   24    H    LEU   4           HN       LEU   4  11.952   7.556   3.384
   25    HA   LEU   4           HA       LEU   4  10.107   5.505   2.852
   26    HB2  LEU   4           HB2      LEU   4  10.270   7.132   5.397
   27    HB3  LEU   4           HB1      LEU   4   9.575   5.546   5.174
   28    HG   LEU   4           HG       LEU   4  12.519   6.179   4.951
   29   HD11  LEU   4          HD11      LEU   4  11.716   6.412   7.235
   30   HD12  LEU   4          HD12      LEU   4  12.722   4.973   7.066
   31   HD13  LEU   4          HD13      LEU   4  10.967   4.820   7.145
   32   HD21  LEU   4          HD21      LEU   4  11.840   4.297   3.564
   33   HD22  LEU   4          HD22      LEU   4  11.046   3.550   4.952
   34   HD23  LEU   4          HD23      LEU   4  12.797   3.756   4.941
   35    H    LEU   5           HN       LEU   5   8.118   5.698   2.179
   36    HA   LEU   5           HA       LEU   5   6.859   8.269   2.178
   37    HB2  LEU   5           HB2      LEU   5   5.128   7.221   0.778
   38    HB3  LEU   5           HB1      LEU   5   6.736   7.004   0.146
   39    HG   LEU   5           HG       LEU   5   6.588   4.646   1.229
   40   HD11  LEU   5          HD11      LEU   5   4.341   3.715   1.290
   41   HD12  LEU   5          HD12      LEU   5   3.664   5.316   1.006
   42   HD13  LEU   5          HD13      LEU   5   4.550   4.986   2.495
   43   HD21  LEU   5          HD21      LEU   5   5.566   3.779  -0.805
   44   HD22  LEU   5          HD22      LEU   5   6.716   5.073  -1.142
   45   HD23  LEU   5          HD23      LEU   5   4.982   5.396  -1.195
   46    H    THR   6           HN       THR   6   4.700   8.665   2.972
   47    HA   THR   6           HA       THR   6   4.246   7.079   5.349
   48    HB   THR   6           HB       THR   6   3.256   9.212   6.319
   49    HG1  THR   6           HG1      THR   6   4.415  11.096   5.139
   50   HG21  THR   6          HG21      THR   6   5.450  10.139   6.904
   51   HG22  THR   6          HG22      THR   6   6.186   9.215   5.593
   52   HG23  THR   6          HG23      THR   6   5.463   8.376   6.967
   53    H    THR   7           HN       THR   7   1.848   8.197   6.127
   54    HA   THR   7           HA       THR   7  -0.028   6.521   5.144
   55    HB   THR   7           HB       THR   7  -0.444   9.283   6.278
   56    HG1  THR   7           HG1      THR   7  -0.508   7.807   8.267
   57   HG21  THR   7          HG21      THR   7  -2.100   6.751   6.438
   58   HG22  THR   7          HG22      THR   7  -2.497   8.179   5.485
   59   HG23  THR   7          HG23      THR   7  -2.472   8.273   7.248
   60    H    ASP   8           HN       ASP   8   0.336   9.997   4.278
   61    HA   ASP   8           HA       ASP   8  -1.848   9.846   2.458
   62    HB2  ASP   8           HB2      ASP   8   0.146  12.078   2.863
   63    HB3  ASP   8           HB1      ASP   8  -1.245  12.180   1.789
   64    H    ASP   9           HN       ASP   9   1.551   9.455   2.052
   65    HA   ASP   9           HA       ASP   9   1.671   9.676  -0.777
   66    HB2  ASP   9           HB2      ASP   9   3.261   7.870   1.047
   67    HB3  ASP   9           HB1      ASP   9   3.594   8.085  -0.662
   68    H    LEU  10           HN       LEU  10   1.220   6.926   1.365
   69    HA   LEU  10           HA       LEU  10   0.725   4.992  -0.612
   70    HB2  LEU  10           HB2      LEU  10   1.256   4.427   1.726
   71    HB3  LEU  10           HB1      LEU  10  -0.261   5.126   2.245
   72    HG   LEU  10           HG       LEU  10  -1.483   3.356   1.028
   73   HD11  LEU  10          HD11      LEU  10   1.257   2.225   0.494
   74   HD12  LEU  10          HD12      LEU  10   0.148   2.881  -0.711
   75   HD13  LEU  10          HD13      LEU  10  -0.276   1.413   0.175
   76   HD21  LEU  10          HD21      LEU  10  -0.906   1.523   2.547
   77   HD22  LEU  10          HD22      LEU  10  -0.953   3.071   3.389
   78   HD23  LEU  10          HD23      LEU  10   0.597   2.346   2.967
   79    H    ARG  11           HN       ARG  11  -1.399   7.016   1.293
   80    HA   ARG  11           HA       ARG  11  -3.936   6.365   0.561
   81    HB2  ARG  11           HB2      ARG  11  -3.492   8.062   2.171
   82    HB3  ARG  11           HB1      ARG  11  -2.665   9.055   0.992
   83    HG2  ARG  11           HG2      ARG  11  -4.835   9.372  -0.167
   84    HG3  ARG  11           HG1      ARG  11  -5.612   8.498   1.162
   85    HD2  ARG  11           HD2      ARG  11  -4.776  10.131   2.745
   86    HD3  ARG  11           HD1      ARG  11  -3.938  10.986   1.452
   87    HE   ARG  11           HE       ARG  11  -6.586  10.811   0.727
   88   HH11  ARG  11          HH11      ARG  11  -4.592  12.487   3.168
   89   HH12  ARG  11          HH12      ARG  11  -5.782  13.659   3.516
   90   HH21  ARG  11          HH21      ARG  11  -8.160  12.507   1.158
   91   HH22  ARG  11          HH22      ARG  11  -7.839  13.686   2.340
   92    H    ARG  12           HN       ARG  12  -2.003   8.835  -1.133
   93    HA   ARG  12           HA       ARG  12  -3.871   9.354  -3.167
   94    HB2  ARG  12           HB2      ARG  12  -0.877   9.712  -3.229
   95    HB3  ARG  12           HB1      ARG  12  -2.009  10.435  -4.359
   96    HG2  ARG  12           HG2      ARG  12  -3.010  11.721  -2.574
   97    HG3  ARG  12           HG1      ARG  12  -1.943  10.955  -1.397
   98    HD2  ARG  12           HD2      ARG  12  -0.008  11.854  -2.638
   99    HD3  ARG  12           HD1      ARG  12  -1.130  12.704  -3.703
  100    HE   ARG  12           HE       ARG  12  -1.748  13.363  -1.071
  101   HH11  ARG  12          HH11      ARG  12   0.872  13.898  -3.429
  102   HH12  ARG  12          HH12      ARG  12   1.385  15.356  -2.708
  103   HH21  ARG  12          HH21      ARG  12  -0.995  15.339  -0.075
  104   HH22  ARG  12          HH22      ARG  12   0.325  16.182  -0.747
  105    H    ALA  13           HN       ALA  13  -1.078   7.223  -3.126
  106    HA   ALA  13           HA       ALA  13  -1.272   6.422  -5.830
  107    HB1  ALA  13           HB1      ALA  13   0.338   4.696  -5.223
  108    HB2  ALA  13           HB2      ALA  13   0.055   5.021  -3.512
  109    HB3  ALA  13           HB3      ALA  13   0.799   6.253  -4.532
  110    H    LEU  14           HN       LEU  14  -2.582   5.179  -2.859
  111    HA   LEU  14           HA       LEU  14  -3.543   2.758  -3.977
  112    HB2  LEU  14           HB2      LEU  14  -2.901   2.941  -1.810
  113    HB3  LEU  14           HB1      LEU  14  -4.058   4.196  -1.392
  114    HG   LEU  14           HG       LEU  14  -5.899   2.474  -1.835
  115   HD11  LEU  14          HD11      LEU  14  -4.611   0.905  -3.154
  116   HD12  LEU  14          HD12      LEU  14  -5.289   0.120  -1.728
  117   HD13  LEU  14          HD13      LEU  14  -3.581   0.563  -1.765
  118   HD21  LEU  14          HD21      LEU  14  -5.643   1.373   0.335
  119   HD22  LEU  14          HD22      LEU  14  -5.257   3.091   0.422
  120   HD23  LEU  14          HD23      LEU  14  -3.959   1.895   0.396
  121    H    VAL  15           HN       VAL  15  -4.883   5.969  -3.573
  122    HA   VAL  15           HA       VAL  15  -7.525   5.191  -4.284
  123    HB   VAL  15           HB       VAL  15  -6.174   7.903  -4.674
  124   HG11  VAL  15          HG11      VAL  15  -9.113   7.196  -4.767
  125   HG12  VAL  15          HG12      VAL  15  -8.122   7.683  -6.143
  126   HG13  VAL  15          HG13      VAL  15  -8.446   8.826  -4.838
  127   HG21  VAL  15          HG21      VAL  15  -7.396   8.563  -2.652
  128   HG22  VAL  15          HG22      VAL  15  -6.293   7.224  -2.341
  129   HG23  VAL  15          HG23      VAL  15  -8.021   6.920  -2.501
  130    H    GLU  16           HN       GLU  16  -4.658   6.034  -6.055
  131    HA   GLU  16           HA       GLU  16  -5.620   6.274  -8.674
  132    HB2  GLU  16           HB2      GLU  16  -2.998   5.220  -7.685
  133    HB3  GLU  16           HB1      GLU  16  -3.355   5.576  -9.356
  134    HG2  GLU  16           HG2      GLU  16  -3.598   7.923  -8.812
  135    HG3  GLU  16           HG1      GLU  16  -3.288   7.562  -7.108
  136    H    SER  17           HN       SER  17  -4.451   3.401  -6.901
  137    HA   SER  17           HA       SER  17  -4.438   1.566  -8.966
  138    HB2  SER  17           HB2      SER  17  -5.095   1.016  -6.068
  139    HB3  SER  17           HB1      SER  17  -4.460  -0.135  -7.239
  140    HG   SER  17           HG       SER  17  -2.972   0.859  -5.734
  141    H    ALA  18           HN       ALA  18  -7.108   2.761  -7.090
  142    HA   ALA  18           HA       ALA  18  -8.925   0.770  -8.179
  143    HB1  ALA  18           HB1      ALA  18  -9.136   1.352  -5.812
  144    HB2  ALA  18           HB2      ALA  18 -10.593   1.784  -6.707
  145    HB3  ALA  18           HB3      ALA  18  -9.433   3.033  -6.253
  146    H    GLY  19           HN       GLY  19  -8.993   4.310  -7.803
  147    HA2  GLY  19           HA2      GLY  19  -9.466   5.964  -9.296
  148    HA3  GLY  19           HA1      GLY  19  -9.427   4.768 -10.576
  149    H    GLU  20           HN       GLU  20 -11.547   3.132  -9.424
  150    HA   GLU  20           HA       GLU  20 -13.806   4.935  -9.795
  151    HB2  GLU  20           HB2      GLU  20 -14.848   3.114 -11.214
  152    HB3  GLU  20           HB1      GLU  20 -13.529   4.031 -11.930
  153    HG2  GLU  20           HG2      GLU  20 -11.997   2.151 -11.295
  154    HG3  GLU  20           HG1      GLU  20 -13.422   1.239 -10.803
  155    H    THR  21           HN       THR  21 -14.669   4.954  -7.888
  156    HA   THR  21           HA       THR  21 -16.088   4.474  -6.287
  157    HB   THR  21           HB       THR  21 -16.658   1.818  -7.645
  158    HG1  THR  21           HG1      THR  21 -17.587   4.468  -8.116
  159   HG21  THR  21          HG21      THR  21 -17.757   2.145  -5.432
  160   HG22  THR  21          HG22      THR  21 -18.929   2.157  -6.752
  161   HG23  THR  21          HG23      THR  21 -18.422   3.676  -6.010
  162    H    ASP  22           HN       ASP  22 -13.275   3.139  -6.373
  163    HA   ASP  22           HA       ASP  22 -13.673   2.087  -3.668
  164    HB2  ASP  22           HB2      ASP  22 -11.879   0.776  -5.731
  165    HB3  ASP  22           HB1      ASP  22 -11.756   0.444  -4.008
  166    H    GLY  23           HN       GLY  23 -12.467   4.457  -5.369
  167    HA2  GLY  23           HA2      GLY  23  -9.994   4.791  -3.915
  168    HA3  GLY  23           HA1      GLY  23 -10.727   5.936  -5.055
  169    H    THR  24           HN       THR  24 -10.776   4.697  -1.851
  170    HA   THR  24           HA       THR  24 -13.012   6.147  -0.985
  171    HB   THR  24           HB       THR  24 -12.000   5.258   1.287
  172    HG1  THR  24           HG1      THR  24 -10.819   3.212   0.126
  173   HG21  THR  24          HG21      THR  24 -14.000   4.354   0.137
  174   HG22  THR  24          HG22      THR  24 -12.998   3.065   0.806
  175   HG23  THR  24          HG23      THR  24 -12.948   3.417  -0.921
  176    H    ASP  25           HN       ASP  25 -12.382   7.188   1.445
  177    HA   ASP  25           HA       ASP  25 -11.274   9.730   0.766
  178    HB2  ASP  25           HB2      ASP  25 -12.120   8.571   3.429
  179    HB3  ASP  25           HB1      ASP  25 -11.517  10.208   3.236
  180    H    LEU  26           HN       LEU  26 -10.326   7.296   3.170
  181    HA   LEU  26           HA       LEU  26  -8.364   6.685   4.083
  182    HB2  LEU  26           HB2      LEU  26  -7.119   7.838   1.580
  183    HB3  LEU  26           HB1      LEU  26  -6.369   6.713   2.693
  184    HG   LEU  26           HG       LEU  26  -8.730   6.118   0.909
  185   HD11  LEU  26          HD11      LEU  26  -6.664   6.329  -0.329
  186   HD12  LEU  26          HD12      LEU  26  -7.180   4.643  -0.266
  187   HD13  LEU  26          HD13      LEU  26  -5.870   5.203   0.771
  188   HD21  LEU  26          HD21      LEU  26  -8.458   3.799   1.645
  189   HD22  LEU  26          HD22      LEU  26  -8.847   4.857   3.004
  190   HD23  LEU  26          HD23      LEU  26  -7.191   4.301   2.765
  191    H    SER  27           HN       SER  27  -9.419   9.468   4.408
  192    HA   SER  27           HA       SER  27  -7.152  11.138   4.800
  193    HB2  SER  27           HB2      SER  27  -9.071  12.588   5.810
  194    HB3  SER  27           HB1      SER  27  -9.028  12.284   4.071
  195    HG   SER  27           HG       SER  27 -10.755  11.234   6.030
  196    H    GLY  28           HN       GLY  28  -5.912  11.106   6.534
  197    HA2  GLY  28           HA2      GLY  28  -5.695  11.452   8.885
  198    HA3  GLY  28           HA1      GLY  28  -7.105  10.423   9.123
  199    H    ASP  29           HN       ASP  29  -6.823   8.329   9.427
  200    HA   ASP  29           HA       ASP  29  -4.302   7.112   8.586
  201    HB2  ASP  29           HB2      ASP  29  -4.203   7.703  11.059
  202    HB3  ASP  29           HB1      ASP  29  -5.537   6.580  11.296
  203    H    PHE  30           HN       PHE  30  -4.736   5.398   7.480
  204    HA   PHE  30           HA       PHE  30  -7.322   4.048   7.852
  205    HB2  PHE  30           HB2      PHE  30  -7.400   3.694   5.427
  206    HB3  PHE  30           HB1      PHE  30  -7.340   5.408   5.807
  207    HD1  PHE  30           HD1      PHE  30  -5.244   6.684   5.405
  208    HD2  PHE  30           HD2      PHE  30  -5.655   2.634   4.174
  209    HE1  PHE  30           HE1      PHE  30  -3.333   6.949   3.890
  210    HE2  PHE  30           HE2      PHE  30  -3.741   2.897   2.663
  211    HZ   PHE  30           HZ       PHE  30  -2.579   5.055   2.520
  212    H    LEU  31           HN       LEU  31  -4.388   3.602   8.706
  213    HA   LEU  31           HA       LEU  31  -3.472   1.480   7.051
  214    HB2  LEU  31           HB2      LEU  31  -2.438   2.515   9.684
  215    HB3  LEU  31           HB1      LEU  31  -1.706   1.172   8.838
  216    HG   LEU  31           HG       LEU  31  -0.381   3.069   8.383
  217   HD11  LEU  31          HD11      LEU  31  -0.672   1.667   6.481
  218   HD12  LEU  31          HD12      LEU  31  -0.514   3.350   5.979
  219   HD13  LEU  31          HD13      LEU  31  -2.100   2.575   5.986
  220   HD21  LEU  31          HD21      LEU  31  -1.217   5.154   7.403
  221   HD22  LEU  31          HD22      LEU  31  -1.913   4.841   8.994
  222   HD23  LEU  31          HD23      LEU  31  -2.867   4.542   7.538
  223    H    ASP  32           HN       ASP  32  -5.604   1.563   9.703
  224    HA   ASP  32           HA       ASP  32  -5.189  -1.286  10.239
  225    HB2  ASP  32           HB2      ASP  32  -5.457   0.427  12.087
  226    HB3  ASP  32           HB1      ASP  32  -7.131   0.595  11.585
  227    H    LEU  33           HN       LEU  33  -7.006   0.638   8.203
  228    HA   LEU  33           HA       LEU  33  -9.471  -0.845   8.312
  229    HB2  LEU  33           HB2      LEU  33  -8.485   1.326   6.463
  230    HB3  LEU  33           HB1      LEU  33  -9.988   0.483   6.170
  231    HG   LEU  33           HG       LEU  33 -10.829   1.325   8.367
  232   HD11  LEU  33          HD11      LEU  33  -9.696   3.181   9.458
  233   HD12  LEU  33          HD12      LEU  33  -8.327   2.991   8.364
  234   HD13  LEU  33          HD13      LEU  33  -8.725   1.710   9.506
  235   HD21  LEU  33          HD21      LEU  33 -11.213   3.618   7.601
  236   HD22  LEU  33          HD22      LEU  33 -11.418   2.440   6.303
  237   HD23  LEU  33          HD23      LEU  33  -9.952   3.415   6.383
  238    H    ARG  34           HN       ARG  34  -9.591  -2.773   7.591
  239    HA   ARG  34           HA       ARG  34  -7.661  -4.130   6.082
  240    HB2  ARG  34           HB2      ARG  34 -10.566  -4.836   6.415
  241    HB3  ARG  34           HB1      ARG  34  -9.310  -5.914   5.836
  242    HG2  ARG  34           HG2      ARG  34  -8.222  -5.856   7.975
  243    HG3  ARG  34           HG1      ARG  34  -9.392  -4.672   8.579
  244    HD2  ARG  34           HD2      ARG  34  -9.970  -7.492   7.672
  245    HD3  ARG  34           HD1      ARG  34 -10.019  -6.896   9.335
  246    HE   ARG  34           HE       ARG  34 -11.807  -5.360   8.530
  247   HH11  ARG  34          HH11      ARG  34 -11.289  -8.512   6.977
  248   HH12  ARG  34          HH12      ARG  34 -12.860  -8.636   6.346
  249   HH21  ARG  34          HH21      ARG  34 -14.021  -5.540   7.677
  250   HH22  ARG  34          HH22      ARG  34 -14.453  -6.903   6.774
  251    H    PHE  35           HN       PHE  35  -7.472  -4.695   4.008
  252    HA   PHE  35           HA       PHE  35  -8.511  -2.980   2.043
  253    HB2  PHE  35           HB2      PHE  35  -7.065  -5.603   1.777
  254    HB3  PHE  35           HB1      PHE  35  -7.509  -4.594   0.406
  255    HD1  PHE  35           HD2      PHE  35  -6.801  -2.028   0.765
  256    HD2  PHE  35           HD1      PHE  35  -4.920  -5.400   2.534
  257    HE1  PHE  35           HE2      PHE  35  -4.728  -0.734   1.010
  258    HE2  PHE  35           HE1      PHE  35  -2.847  -4.114   2.785
  259    HZ   PHE  35           HZ       PHE  35  -2.749  -1.781   2.019
  260    H    GLU  36           HN       GLU  36  -9.466  -6.153   3.100
  261    HA   GLU  36           HA       GLU  36 -11.334  -6.819   1.150
  262    HB2  GLU  36           HB2      GLU  36 -10.644  -8.316   2.957
  263    HB3  GLU  36           HB1      GLU  36 -11.462  -7.296   4.128
  264    HG2  GLU  36           HG2      GLU  36 -13.598  -7.780   3.000
  265    HG3  GLU  36           HG1      GLU  36 -12.745  -8.885   1.925
  266    H    ASP  37           HN       ASP  37 -11.589  -4.684   3.900
  267    HA   ASP  37           HA       ASP  37 -14.407  -4.275   3.662
  268    HB2  ASP  37           HB2      ASP  37 -13.412  -4.066   5.837
  269    HB3  ASP  37           HB1      ASP  37 -12.303  -2.827   5.259
  270    H    ILE  38           HN       ILE  38 -11.510  -2.553   2.647
  271    HA   ILE  38           HA       ILE  38 -13.178  -0.456   1.561
  272    HB   ILE  38           HB       ILE  38 -11.103   0.706   0.885
  273   HG12  ILE  38          HG12      ILE  38  -9.676  -1.588   2.271
  274   HG13  ILE  38          HG11      ILE  38  -9.681  -1.302   0.535
  275   HG21  ILE  38          HG21      ILE  38 -11.215  -0.174   3.762
  276   HG22  ILE  38          HG22      ILE  38 -12.106   1.161   3.033
  277   HG23  ILE  38          HG23      ILE  38 -10.345   1.242   3.168
  278   HD11  ILE  38          HD11      ILE  38  -8.518   0.528   2.623
  279   HD12  ILE  38          HD12      ILE  38  -8.507   0.812   0.882
  280   HD13  ILE  38          HD13      ILE  38  -7.610  -0.549   1.561
  281    H    GLY  39           HN       GLY  39 -13.098  -3.210   0.486
  282    HA2  GLY  39           HA2      GLY  39 -13.639  -4.125  -1.549
  283    HA3  GLY  39           HA1      GLY  39 -13.720  -2.490  -2.170
  284    H    TYR  40           HN       TYR  40 -10.798  -3.961  -0.806
  285    HA   TYR  40           HA       TYR  40  -9.695  -3.620  -3.439
  286    HB2  TYR  40           HB2      TYR  40  -8.695  -3.004  -0.820
  287    HB3  TYR  40           HB1      TYR  40  -7.582  -4.022  -1.756
  288    HD1  TYR  40           HD1      TYR  40  -9.491  -0.846  -1.848
  289    HD2  TYR  40           HD2      TYR  40  -6.433  -3.227  -3.570
  290    HE1  TYR  40           HE1      TYR  40  -8.843   1.031  -3.301
  291    HE2  TYR  40           HE2      TYR  40  -5.776  -1.373  -5.003
  292    HH   TYR  40           HH       TYR  40  -6.779   1.748  -4.555
  293    H    ASP  41           HN       ASP  41  -8.436  -5.014  -4.395
  294    HA   ASP  41           HA       ASP  41  -8.708  -7.804  -3.524
  295    HB2  ASP  41           HB2      ASP  41  -8.186  -6.644  -6.260
  296    HB3  ASP  41           HB1      ASP  41  -8.190  -8.366  -5.886
  297    H    SER  42           HN       SER  42  -6.925  -9.164  -3.991
  298    HA   SER  42           HA       SER  42  -4.534  -8.148  -2.949
  299    HB2  SER  42           HB2      SER  42  -5.071 -10.750  -4.364
  300    HB3  SER  42           HB1      SER  42  -3.737 -10.408  -3.247
  301    H    LEU  43           HN       LEU  43  -5.559  -8.918  -6.236
  302    HA   LEU  43           HA       LEU  43  -3.029  -8.440  -7.439
  303    HB2  LEU  43           HB2      LEU  43  -5.835  -8.479  -8.553
  304    HB3  LEU  43           HB1      LEU  43  -4.475  -8.050  -9.557
  305    HG   LEU  43           HG       LEU  43  -5.135 -10.347  -9.943
  306   HD11  LEU  43          HD11      LEU  43  -3.003 -11.470  -9.609
  307   HD12  LEU  43          HD12      LEU  43  -2.496 -10.167  -8.532
  308   HD13  LEU  43          HD13      LEU  43  -2.819  -9.832 -10.233
  309   HD21  LEU  43          HD21      LEU  43  -4.512 -10.855  -7.029
  310   HD22  LEU  43          HD22      LEU  43  -4.886 -12.093  -8.228
  311   HD23  LEU  43          HD23      LEU  43  -6.109 -10.908  -7.773
  312    H    ALA  44           HN       ALA  44  -5.635  -6.433  -6.420
  313    HA   ALA  44           HA       ALA  44  -4.741  -4.073  -7.759
  314    HB1  ALA  44           HB1      ALA  44  -6.674  -4.383  -5.456
  315    HB2  ALA  44           HB2      ALA  44  -7.111  -4.408  -7.165
  316    HB3  ALA  44           HB3      ALA  44  -6.458  -2.939  -6.440
  317    H    LEU  45           HN       LEU  45  -4.125  -5.675  -4.757
  318    HA   LEU  45           HA       LEU  45  -2.813  -3.497  -3.474
  319    HB2  LEU  45           HB2      LEU  45  -2.539  -6.454  -3.011
  320    HB3  LEU  45           HB1      LEU  45  -1.915  -5.198  -1.959
  321    HG   LEU  45           HG       LEU  45  -4.810  -5.746  -2.542
  322   HD11  LEU  45          HD11      LEU  45  -4.902  -6.367  -0.179
  323   HD12  LEU  45          HD12      LEU  45  -3.159  -6.113  -0.057
  324   HD13  LEU  45          HD13      LEU  45  -3.792  -7.399  -1.085
  325   HD21  LEU  45          HD21      LEU  45  -5.232  -4.012  -0.863
  326   HD22  LEU  45          HD22      LEU  45  -4.394  -3.381  -2.282
  327   HD23  LEU  45          HD23      LEU  45  -3.499  -3.684  -0.794
  328    H    MET  46           HN       MET  46  -1.828  -6.146  -5.501
  329    HA   MET  46           HA       MET  46   0.962  -5.682  -5.409
  330    HB2  MET  46           HB2      MET  46  -0.711  -6.797  -7.676
  331    HB3  MET  46           HB1      MET  46   1.037  -6.929  -7.547
  332    HG2  MET  46           HG2      MET  46   0.881  -8.350  -5.656
  333    HG3  MET  46           HG1      MET  46  -0.846  -8.058  -5.494
  334    HE1  MET  46           HE1      MET  46   0.073 -11.003  -5.427
  335    HE2  MET  46           HE2      MET  46  -0.980 -11.780  -6.610
  336    HE3  MET  46           HE3      MET  46  -1.630 -10.555  -5.521
  337    H    GLU  47           HN       GLU  47  -1.602  -4.490  -7.485
  338    HA   GLU  47           HA       GLU  47  -0.188  -2.764  -9.171
  339    HB2  GLU  47           HB2      GLU  47  -2.484  -3.382  -9.586
  340    HB3  GLU  47           HB1      GLU  47  -3.001  -2.692  -8.069
  341    HG2  GLU  47           HG2      GLU  47  -3.693  -1.338  -9.980
  342    HG3  GLU  47           HG1      GLU  47  -2.624  -0.454  -8.901
  343    H    THR  48           HN       THR  48  -1.281  -2.378  -5.901
  344    HA   THR  48           HA       THR  48  -0.691   0.410  -5.731
  345    HB   THR  48           HB       THR  48  -1.274  -1.643  -3.586
  346    HG1  THR  48           HG1      THR  48  -3.053  -1.397  -4.928
  347   HG21  THR  48          HG21      THR  48  -1.815   0.292  -2.180
  348   HG22  THR  48          HG22      THR  48  -1.318   1.388  -3.472
  349   HG23  THR  48          HG23      THR  48  -0.128   0.346  -2.686
  350    H    ALA  49           HN       ALA  49   0.872  -2.587  -4.583
  351    HA   ALA  49           HA       ALA  49   3.042  -1.287  -3.369
  352    HB1  ALA  49           HB1      ALA  49   4.139  -3.467  -3.378
  353    HB2  ALA  49           HB2      ALA  49   2.913  -4.093  -4.486
  354    HB3  ALA  49           HB3      ALA  49   2.465  -3.596  -2.851
  355    H    ALA  50           HN       ALA  50   2.663  -2.649  -6.635
  356    HA   ALA  50           HA       ALA  50   5.266  -2.360  -7.546
  357    HB1  ALA  50           HB1      ALA  50   4.380  -2.542  -9.780
  358    HB2  ALA  50           HB2      ALA  50   2.766  -2.130  -9.201
  359    HB3  ALA  50           HB3      ALA  50   3.524  -3.643  -8.699
  360    H    ARG  51           HN       ARG  51   2.721   0.054  -7.505
  361    HA   ARG  51           HA       ARG  51   4.077   1.909  -9.174
  362    HB2  ARG  51           HB2      ARG  51   2.392   3.502  -8.553
  363    HB3  ARG  51           HB1      ARG  51   1.610   1.943  -8.689
  364    HG2  ARG  51           HG2      ARG  51   2.136   1.932  -6.061
  365    HG3  ARG  51           HG1      ARG  51   2.009   3.672  -6.329
  366    HD2  ARG  51           HD2      ARG  51  -0.067   1.580  -6.984
  367    HD3  ARG  51           HD1      ARG  51  -0.145   2.771  -5.690
  368    HE   ARG  51           HE       ARG  51  -0.447   4.437  -7.267
  369   HH11  ARG  51          HH11      ARG  51  -0.719   1.140  -8.480
  370   HH12  ARG  51          HH12      ARG  51  -1.408   1.498  -9.975
  371   HH21  ARG  51          HH21      ARG  51  -1.333   5.049  -9.460
  372   HH22  ARG  51          HH22      ARG  51  -1.819   3.827 -10.534
  373    H    LEU  52           HN       LEU  52   4.214   1.164  -5.801
  374    HA   LEU  52           HA       LEU  52   5.771   3.493  -5.110
  375    HB2  LEU  52           HB2      LEU  52   5.135   1.019  -3.498
  376    HB3  LEU  52           HB1      LEU  52   5.818   2.509  -2.876
  377    HG   LEU  52           HG       LEU  52   3.042   2.162  -4.008
  378   HD11  LEU  52          HD11      LEU  52   2.295   2.598  -1.728
  379   HD12  LEU  52          HD12      LEU  52   3.972   2.641  -1.188
  380   HD13  LEU  52          HD13      LEU  52   3.288   1.145  -1.828
  381   HD21  LEU  52          HD21      LEU  52   4.368   4.609  -2.833
  382   HD22  LEU  52          HD22      LEU  52   2.662   4.479  -3.261
  383   HD23  LEU  52          HD23      LEU  52   3.899   4.381  -4.517
  384    H    GLU  53           HN       GLU  53   6.178   0.069  -5.730
  385    HA   GLU  53           HA       GLU  53   8.863  -0.308  -5.112
  386    HB2  GLU  53           HB2      GLU  53   7.235  -1.517  -7.352
  387    HB3  GLU  53           HB1      GLU  53   8.828  -2.074  -6.883
  388    HG2  GLU  53           HG2      GLU  53   7.918  -2.619  -4.645
  389    HG3  GLU  53           HG1      GLU  53   6.315  -2.165  -5.237
  390    H    SER  54           HN       SER  54   7.387   0.525  -8.201
  391    HA   SER  54           HA       SER  54   9.719   0.911  -9.661
  392    HB2  SER  54           HB2      SER  54   7.426   0.551 -10.600
  393    HB3  SER  54           HB1      SER  54   7.010   2.193 -10.121
  394    HG   SER  54           HG       SER  54   9.280   1.758 -11.684
  395    H    ARG  55           HN       ARG  55   8.190   2.940  -7.347
  396    HA   ARG  55           HA       ARG  55   9.432   5.351  -8.339
  397    HB2  ARG  55           HB2      ARG  55   7.179   5.466  -7.326
  398    HB3  ARG  55           HB1      ARG  55   7.837   4.858  -5.825
  399    HG2  ARG  55           HG2      ARG  55   7.402   7.300  -5.841
  400    HG3  ARG  55           HG1      ARG  55   9.067   6.865  -5.455
  401    HD2  ARG  55           HD2      ARG  55   8.851   8.792  -7.013
  402    HD3  ARG  55           HD1      ARG  55   9.795   7.450  -7.654
  403    HE   ARG  55           HE       ARG  55   7.001   7.423  -8.380
  404   HH11  ARG  55          HH11      ARG  55  10.233   8.561  -9.285
  405   HH12  ARG  55          HH12      ARG  55   9.873   8.678 -10.935
  406   HH21  ARG  55          HH21      ARG  55   6.524   7.532 -10.595
  407   HH22  ARG  55          HH22      ARG  55   7.668   8.096 -11.716
  408    H    TYR  56           HN       TYR  56   9.717   3.361  -5.378
  409    HA   TYR  56           HA       TYR  56  12.069   4.977  -4.752
  410    HB2  TYR  56           HB2      TYR  56  10.350   3.331  -2.916
  411    HB3  TYR  56           HB1      TYR  56  11.816   4.172  -2.413
  412    HD1  TYR  56           HD1      TYR  56  11.893   6.726  -2.804
  413    HD2  TYR  56           HD2      TYR  56   8.311   4.445  -2.943
  414    HE1  TYR  56           HE1      TYR  56  10.590   8.763  -2.393
  415    HE2  TYR  56           HE2      TYR  56   6.991   6.473  -2.554
  416    HH   TYR  56           HH       TYR  56   8.075   9.513  -2.920
  417    H    GLY  57           HN       GLY  57  11.453   1.847  -5.881
  418    HA2  GLY  57           HA2      GLY  57  13.122   0.374  -6.530
  419    HA3  GLY  57           HA1      GLY  57  14.272   1.257  -5.539
  420    H    VAL  58           HN       VAL  58  11.215  -0.004  -4.450
  421    HA   VAL  58           HA       VAL  58  12.622  -1.829  -2.626
  422    HB   VAL  58           HB       VAL  58  11.145  -0.253  -1.471
  423   HG11  VAL  58          HG11      VAL  58   9.675   0.375  -3.281
  424   HG12  VAL  58          HG12      VAL  58   8.738  -0.127  -1.873
  425   HG13  VAL  58          HG13      VAL  58   8.917  -1.219  -3.247
  426   HG21  VAL  58          HG21      VAL  58   9.597  -1.762  -0.316
  427   HG22  VAL  58          HG22      VAL  58  11.189  -2.494  -0.537
  428   HG23  VAL  58          HG23      VAL  58   9.849  -2.970  -1.576
  429    H    SER  59           HN       SER  59  12.254  -4.083  -2.850
  430    HA   SER  59           HA       SER  59  10.666  -4.734  -5.202
  431    HB2  SER  59           HB2      SER  59  12.026  -6.870  -5.206
  432    HB3  SER  59           HB1      SER  59  12.947  -5.394  -5.493
  433    HG   SER  59           HG       SER  59  12.990  -7.190  -3.436
  434    H    ILE  60           HN       ILE  60   8.677  -5.383  -4.762
  435    HA   ILE  60           HA       ILE  60   8.306  -7.094  -2.412
  436    HB   ILE  60           HB       ILE  60   6.323  -5.126  -3.607
  437   HG12  ILE  60          HG12      ILE  60   7.747  -5.105  -0.932
  438   HG13  ILE  60          HG11      ILE  60   8.113  -4.050  -2.290
  439   HG21  ILE  60          HG21      ILE  60   4.862  -5.739  -1.727
  440   HG22  ILE  60          HG22      ILE  60   6.034  -6.957  -1.225
  441   HG23  ILE  60          HG23      ILE  60   5.195  -7.125  -2.769
  442   HD11  ILE  60          HD11      ILE  60   6.800  -2.904  -0.600
  443   HD12  ILE  60          HD12      ILE  60   5.533  -4.119  -0.746
  444   HD13  ILE  60          HD13      ILE  60   5.891  -3.052  -2.104
  445    HA   PRO  61           HA       PRO  61   7.271 -10.021  -5.710
  446    HB2  PRO  61           HB2      PRO  61   6.742 -11.614  -3.245
  447    HB3  PRO  61           HB1      PRO  61   7.658 -12.057  -4.691
  448    HG2  PRO  61           HG2      PRO  61   8.929 -11.440  -2.459
  449    HG3  PRO  61           HG1      PRO  61   9.538 -10.863  -4.023
  450    HD2  PRO  61           HD2      PRO  61   8.016  -9.384  -1.916
  451    HD3  PRO  61           HD1      PRO  61   9.384  -8.839  -2.914
  452    H    ASP  62           HN       ASP  62   5.357 -11.028  -6.310
  453    HA   ASP  62           HA       ASP  62   3.049  -9.489  -5.868
  454    HB2  ASP  62           HB2      ASP  62   3.194 -12.268  -7.066
  455    HB3  ASP  62           HB1      ASP  62   1.854 -11.141  -7.224
  456    H    ASP  63           HN       ASP  63   4.025 -12.630  -4.682
  457    HA   ASP  63           HA       ASP  63   1.706 -13.438  -3.326
  458    HB2  ASP  63           HB2      ASP  63   4.571 -13.909  -2.477
  459    HB3  ASP  63           HB1      ASP  63   3.180 -14.720  -1.780
  460    H    VAL  64           HN       VAL  64   4.347 -11.473  -2.219
  461    HA   VAL  64           HA       VAL  64   3.630 -11.142   0.474
  462    HB   VAL  64           HB       VAL  64   5.051  -9.210  -1.352
  463   HG11  VAL  64          HG11      VAL  64   5.139  -9.521   1.657
  464   HG12  VAL  64          HG12      VAL  64   4.388  -8.196   0.763
  465   HG13  VAL  64          HG13      VAL  64   6.138  -8.409   0.717
  466   HG21  VAL  64          HG21      VAL  64   6.100 -11.389  -1.422
  467   HG22  VAL  64          HG22      VAL  64   6.164 -11.438   0.341
  468   HG23  VAL  64          HG23      VAL  64   7.124 -10.251  -0.545
  469    H    ALA  65           HN       ALA  65   3.200  -8.930  -2.263
  470    HA   ALA  65           HA       ALA  65   1.688  -6.991  -0.934
  471    HB1  ALA  65           HB1      ALA  65   1.669  -7.654  -3.866
  472    HB2  ALA  65           HB2      ALA  65   2.846  -6.618  -3.056
  473    HB3  ALA  65           HB3      ALA  65   1.148  -6.135  -3.133
  474    H    GLY  66           HN       GLY  66   0.688  -9.933  -2.567
  475    HA2  GLY  66           HA2      GLY  66  -2.105  -9.222  -2.514
  476    HA3  GLY  66           HA1      GLY  66  -1.427 -10.768  -2.993
  477    H    ARG  67           HN       ARG  67  -0.047 -10.303  -0.114
  478    HA   ARG  67           HA       ARG  67  -2.219 -11.777   1.184
  479    HB2  ARG  67           HB2      ARG  67   0.734 -11.880   1.661
  480    HB3  ARG  67           HB1      ARG  67  -0.438 -12.577   2.766
  481    HG2  ARG  67           HG2      ARG  67  -1.255 -14.016   0.921
  482    HG3  ARG  67           HG1      ARG  67   0.016 -13.350  -0.112
  483    HD2  ARG  67           HD2      ARG  67   0.685 -15.496   0.896
  484    HD3  ARG  67           HD1      ARG  67   1.722 -14.162   1.420
  485    HE   ARG  67           HE       ARG  67  -0.524 -15.174   3.029
  486   HH11  ARG  67          HH11      ARG  67   2.935 -14.366   2.775
  487   HH12  ARG  67          HH12      ARG  67   3.175 -14.364   4.462
  488   HH21  ARG  67          HH21      ARG  67  -0.174 -15.077   5.332
  489   HH22  ARG  67          HH22      ARG  67   1.378 -14.742   5.953
  490    H    VAL  68           HN       VAL  68  -1.085  -8.736   1.240
  491    HA   VAL  68           HA       VAL  68  -1.100  -8.439   4.102
  492    HB   VAL  68           HB       VAL  68  -0.894  -5.979   3.696
  493   HG11  VAL  68          HG11      VAL  68   1.362  -6.058   2.727
  494   HG12  VAL  68          HG12      VAL  68   1.052  -7.703   2.174
  495   HG13  VAL  68          HG13      VAL  68   1.090  -7.346   3.900
  496   HG21  VAL  68          HG21      VAL  68  -0.486  -5.167   1.413
  497   HG22  VAL  68          HG22      VAL  68  -2.117  -5.827   1.581
  498   HG23  VAL  68          HG23      VAL  68  -0.858  -6.775   0.790
  499    H    ASP  69           HN       ASP  69  -2.709  -7.808   5.402
  500    HA   ASP  69           HA       ASP  69  -5.378  -7.804   4.192
  501    HB2  ASP  69           HB2      ASP  69  -5.046  -9.451   5.943
  502    HB3  ASP  69           HB1      ASP  69  -4.445  -8.219   7.037
  503    H    THR  70           HN       THR  70  -3.308  -5.966   6.289
  504    HA   THR  70           HA       THR  70  -5.204  -3.741   6.088
  505    HB   THR  70           HB       THR  70  -4.119  -2.902   8.215
  506    HG1  THR  70           HG1      THR  70  -2.869  -5.453   7.993
  507   HG21  THR  70          HG21      THR  70  -5.349  -4.460   9.677
  508   HG22  THR  70          HG22      THR  70  -5.487  -5.593   8.329
  509   HG23  THR  70          HG23      THR  70  -6.293  -4.028   8.251
  510    HA   PRO  71           HA       PRO  71  -2.227  -1.394   3.787
  511    HB2  PRO  71           HB2      PRO  71  -3.054   0.905   5.487
  512    HB3  PRO  71           HB1      PRO  71  -3.028   0.757   3.724
  513    HG2  PRO  71           HG2      PRO  71  -5.324   0.647   5.024
  514    HG3  PRO  71           HG1      PRO  71  -5.006  -0.450   3.663
  515    HD2  PRO  71           HD2      PRO  71  -4.902  -1.000   6.605
  516    HD3  PRO  71           HD1      PRO  71  -5.560  -2.002   5.296
  517    H    ARG  72           HN       ARG  72  -2.257  -1.238   7.256
  518    HA   ARG  72           HA       ARG  72   0.139   0.051   7.830
  519    HB2  ARG  72           HB2      ARG  72  -1.516  -0.608   9.508
  520    HB3  ARG  72           HB1      ARG  72  -1.165  -2.301   9.207
  521    HG2  ARG  72           HG2      ARG  72   1.066  -2.011  10.119
  522    HG3  ARG  72           HG1      ARG  72   0.755  -0.289  10.369
  523    HD2  ARG  72           HD2      ARG  72  -0.794  -2.550  11.631
  524    HD3  ARG  72           HD1      ARG  72   0.456  -1.595  12.430
  525    HE   ARG  72           HE       ARG  72  -1.016   0.362  12.014
  526   HH11  ARG  72          HH11      ARG  72  -2.573  -2.873  12.091
  527   HH12  ARG  72          HH12      ARG  72  -4.023  -2.243  12.752
  528   HH21  ARG  72          HH21      ARG  72  -3.059   1.105  12.895
  529   HH22  ARG  72          HH22      ARG  72  -4.266  -0.036  13.262
  530    H    GLU  73           HN       GLU  73  -0.533  -3.256   6.893
  531    HA   GLU  73           HA       GLU  73   2.086  -4.286   7.248
  532    HB2  GLU  73           HB2      GLU  73  -0.220  -5.244   5.569
  533    HB3  GLU  73           HB1      GLU  73   1.236  -6.166   5.912
  534    HG2  GLU  73           HG2      GLU  73   0.699  -6.262   8.234
  535    HG3  GLU  73           HG1      GLU  73  -0.665  -5.162   8.004
  536    H    LEU  74           HN       LEU  74   0.250  -3.072   4.493
  537    HA   LEU  74           HA       LEU  74   2.167  -3.605   2.460
  538    HB2  LEU  74           HB2      LEU  74  -0.395  -2.904   2.387
  539    HB3  LEU  74           HB1      LEU  74   0.250  -1.283   2.336
  540    HG   LEU  74           HG       LEU  74   0.659  -3.455   0.250
  541   HD11  LEU  74          HD11      LEU  74  -1.546  -2.558   0.222
  542   HD12  LEU  74          HD12      LEU  74  -0.635  -2.019  -1.190
  543   HD13  LEU  74          HD13      LEU  74  -0.910  -0.914   0.155
  544   HD21  LEU  74          HD21      LEU  74   1.768  -1.745  -1.111
  545   HD22  LEU  74          HD22      LEU  74   2.659  -2.011   0.390
  546   HD23  LEU  74          HD23      LEU  74   1.636  -0.589   0.215
  547    H    LEU  75           HN       LEU  75   1.468  -0.748   4.442
  548    HA   LEU  75           HA       LEU  75   3.434   0.986   3.422
  549    HB2  LEU  75           HB2      LEU  75   1.535   1.688   4.840
  550    HB3  LEU  75           HB1      LEU  75   2.240   0.842   6.197
  551    HG   LEU  75           HG       LEU  75   4.192   2.419   6.071
  552   HD11  LEU  75          HD11      LEU  75   2.439   3.873   4.111
  553   HD12  LEU  75          HD12      LEU  75   3.988   3.109   3.766
  554   HD13  LEU  75          HD13      LEU  75   3.915   4.501   4.839
  555   HD21  LEU  75          HD21      LEU  75   1.476   3.653   6.500
  556   HD22  LEU  75          HD22      LEU  75   3.002   4.292   7.107
  557   HD23  LEU  75          HD23      LEU  75   2.399   2.738   7.690
  558    H    ASP  76           HN       ASP  76   3.465  -1.422   5.977
  559    HA   ASP  76           HA       ASP  76   5.994  -0.829   7.079
  560    HB2  ASP  76           HB2      ASP  76   4.246  -2.203   8.207
  561    HB3  ASP  76           HB1      ASP  76   4.592  -3.508   7.078
  562    H    LEU  77           HN       LEU  77   4.979  -3.019   4.470
  563    HA   LEU  77           HA       LEU  77   7.343  -4.350   3.975
  564    HB2  LEU  77           HB2      LEU  77   5.243  -3.356   2.059
  565    HB3  LEU  77           HB1      LEU  77   6.455  -4.549   1.688
  566    HG   LEU  77           HG       LEU  77   4.243  -4.878   3.694
  567   HD11  LEU  77          HD11      LEU  77   3.429  -4.822   1.407
  568   HD12  LEU  77          HD12      LEU  77   3.325  -6.453   2.064
  569   HD13  LEU  77          HD13      LEU  77   4.615  -6.037   0.937
  570   HD21  LEU  77          HD21      LEU  77   4.960  -7.221   3.759
  571   HD22  LEU  77          HD22      LEU  77   6.246  -6.144   4.303
  572   HD23  LEU  77          HD23      LEU  77   6.303  -6.842   2.682
  573    H    ILE  78           HN       ILE  78   6.112  -1.297   2.762
  574    HA   ILE  78           HA       ILE  78   8.250  -0.612   1.040
  575    HB   ILE  78           HB       ILE  78   6.309   1.193   2.518
  576   HG12  ILE  78          HG12      ILE  78   5.137  -0.456   1.114
  577   HG13  ILE  78          HG11      ILE  78   4.956   1.171   0.475
  578   HG21  ILE  78          HG21      ILE  78   6.769   2.834   0.758
  579   HG22  ILE  78          HG22      ILE  78   7.993   1.756   0.086
  580   HG23  ILE  78          HG23      ILE  78   8.210   2.441   1.696
  581   HD11  ILE  78          HD11      ILE  78   6.834  -0.941  -0.558
  582   HD12  ILE  78          HD12      ILE  78   6.663   0.688  -1.211
  583   HD13  ILE  78          HD13      ILE  78   5.314  -0.445  -1.299
  584    H    ASN  79           HN       ASN  79   7.346   0.723   4.207
  585    HA   ASN  79           HA       ASN  79   9.569   2.323   4.641
  586    HB2  ASN  79           HB2      ASN  79   7.802   0.977   6.698
  587    HB3  ASN  79           HB1      ASN  79   9.011   2.188   7.088
  588   HD21  ASN  79          HD21      ASN  79   8.434   3.849   4.727
  589   HD22  ASN  79          HD22      ASN  79   6.894   4.569   5.037
  590    H    GLY  80           HN       GLY  80   9.083  -1.051   5.674
  591    HA2  GLY  80           HA2      GLY  80  11.423  -1.271   7.188
  592    HA3  GLY  80           HA1      GLY  80  10.508  -2.594   6.486
  593    H    ALA  81           HN       ALA  81  10.829  -2.111   3.785
  594    HA   ALA  81           HA       ALA  81  13.457  -3.180   3.447
  595    HB1  ALA  81           HB1      ALA  81  11.487  -2.328   1.332
  596    HB2  ALA  81           HB2      ALA  81  11.574  -3.925   2.075
  597    HB3  ALA  81           HB3      ALA  81  12.910  -3.340   1.086
  598    H    LEU  82           HN       LEU  82  11.980  -0.055   2.811
  599    HA   LEU  82           HA       LEU  82  14.277   0.945   1.438
  600    HB2  LEU  82           HB2      LEU  82  11.977   2.450   2.669
  601    HB3  LEU  82           HB1      LEU  82  13.199   3.153   1.631
  602    HG   LEU  82           HG       LEU  82  11.146   1.096   0.845
  603   HD11  LEU  82          HD11      LEU  82  11.466   3.996   0.108
  604   HD12  LEU  82          HD12      LEU  82  10.227   3.305   1.156
  605   HD13  LEU  82          HD13      LEU  82  10.267   2.889  -0.560
  606   HD21  LEU  82          HD21      LEU  82  13.283   2.423  -0.837
  607   HD22  LEU  82          HD22      LEU  82  12.003   1.371  -1.438
  608   HD23  LEU  82          HD23      LEU  82  13.243   0.725  -0.363
  609    H    ALA  83           HN       ALA  83  13.446   0.543   4.716
  610    HA   ALA  83           HA       ALA  83  15.182   2.512   5.821
  611    HB1  ALA  83           HB1      ALA  83  14.894   1.285   7.923
  612    HB2  ALA  83           HB2      ALA  83  14.139  -0.048   7.047
  613    HB3  ALA  83           HB3      ALA  83  13.343   1.525   7.115
  614    H    GLU  84           HN       GLU  84  15.584  -0.560   4.428
  615    HA   GLU  84           HA       GLU  84  18.240  -0.985   5.511
  616    HB2  GLU  84           HB2      GLU  84  16.689  -2.477   3.364
  617    HB3  GLU  84           HB1      GLU  84  18.266  -2.941   3.981
  618    HG2  GLU  84           HG2      GLU  84  15.708  -2.811   5.545
  619    HG3  GLU  84           HG1      GLU  84  16.476  -4.268   4.917
  620    H    ALA  85           HN       ALA  85  16.899  -0.868   2.260
  621    HA   ALA  85           HA       ALA  85  18.141   1.233   1.088
  622    HB1  ALA  85           HB1      ALA  85  20.339   0.182   1.557
  623    HB2  ALA  85           HB2      ALA  85  20.015   0.201  -0.173
  624    HB3  ALA  85           HB3      ALA  85  19.811  -1.291   0.746
  625    H    ALA  86           HN       ALA  86  18.044  -2.231   0.402
  626    HA   ALA  86           HA       ALA  86  15.730  -1.997  -1.254
  627    HB1  ALA  86           HB1      ALA  86  18.402  -2.977  -2.309
  628    HB2  ALA  86           HB2      ALA  86  17.546  -1.537  -2.857
  629    HB3  ALA  86           HB3      ALA  86  16.857  -3.138  -3.147
  630   H282  PNS  87          H28A      PNS  87  -4.697 -12.788  -2.019
  631   H281  PNS  87          H28B      PNS  87  -6.012 -13.839  -1.481
  632   H303  PNS  87          H30A      PNS  87  -6.547 -15.896  -2.723
  633   H302  PNS  87          H30B      PNS  87  -5.658 -16.332  -4.183
  634   H301  PNS  87          H30C      PNS  87  -6.751 -14.948  -4.194
  635   H313  PNS  87          H31A      PNS  87  -4.906 -13.483  -5.008
  636   H312  PNS  87          H31B      PNS  87  -3.785 -14.845  -4.990
  637   H311  PNS  87          H31C      PNS  87  -3.400 -13.378  -4.092
  638    H32  PNS  87          H32A      PNS  87  -3.079 -14.774  -1.963
  639    H33  PNS  87          H33A      PNS  87  -3.606 -16.420  -4.044
  640    H36  PNS  87          H36A      PNS  87  -3.464 -17.703  -1.700
  641   H372  PNS  87          H37A      PNS  87  -3.716 -18.412   0.743
  642   H371  PNS  87          H37B      PNS  87  -5.407 -17.931   0.518
  643   H382  PNS  87          H38A      PNS  87  -3.967 -20.047  -1.116
  644   H381  PNS  87          H38B      PNS  87  -4.904 -20.377   0.314
  645    H41  PNS  87          H41A      PNS  87  -5.491 -21.563  -2.040
  646   H422  PNS  87          H42A      PNS  87  -8.173 -21.582  -2.309
  647   H421  PNS  87          H42B      PNS  87  -7.689 -20.304  -3.417
  648   H431  PNS  87          H43A      PNS  87  -7.883 -22.392  -4.607
  649   H432  PNS  87          H43B      PNS  87  -6.775 -23.159  -3.475
  650    H44  PNS  87           H1       PNS  87  -5.926 -20.608  -5.584
  Start of MODEL   16
    1    H1   MET   1           HT1      MET   1  17.723   5.761   4.749
    2    H2   MET   1           HT2      MET   1  19.346   5.435   4.536
    3    H3   MET   1           HT3      MET   1  18.199   4.643   3.566
    4    HA   MET   1           HA       MET   1  18.827   7.549   3.654
    5    HB2  MET   1           HB2      MET   1  20.541   6.190   2.501
    6    HB3  MET   1           HB1      MET   1  19.298   5.536   1.445
    7    HG2  MET   1           HG2      MET   1  18.870   7.788   0.575
    8    HG3  MET   1           HG1      MET   1  20.142   8.420   1.617
    9    HE1  MET   1           HE1      MET   1  20.111   5.012  -0.387
   10    HE2  MET   1           HE2      MET   1  20.882   5.504  -1.897
   11    HE3  MET   1           HE3      MET   1  19.296   6.145  -1.464
   12    H    ALA   2           HN       ALA   2  16.826   4.940   2.309
   13    HA   ALA   2           HA       ALA   2  15.407   6.494   0.487
   14    HB1  ALA   2           HB1      ALA   2  14.541   3.981   1.908
   15    HB2  ALA   2           HB2      ALA   2  15.485   4.048   0.420
   16    HB3  ALA   2           HB3      ALA   2  13.828   4.651   0.441
   17    H    THR   3           HN       THR   3  13.573   7.600   0.608
   18    HA   THR   3           HA       THR   3  12.827   8.598   3.171
   19    HB   THR   3           HB       THR   3  11.191   9.946   1.752
   20    HG1  THR   3           HG1      THR   3  12.089   9.805  -0.601
   21   HG21  THR   3          HG21      THR   3  14.108  10.037   0.965
   22   HG22  THR   3          HG22      THR   3  13.395  10.830   2.371
   23   HG23  THR   3          HG23      THR   3  12.948  11.344   0.745
   24    H    LEU   4           HN       LEU   4  11.636   7.309   4.420
   25    HA   LEU   4           HA       LEU   4   9.844   5.249   3.548
   26    HB2  LEU   4           HB2      LEU   4   9.600   6.691   6.170
   27    HB3  LEU   4           HB1      LEU   4   9.246   5.037   5.739
   28    HG   LEU   4           HG       LEU   4  12.017   6.199   6.039
   29   HD11  LEU   4          HD11      LEU   4  10.503   4.286   7.784
   30   HD12  LEU   4          HD12      LEU   4  10.927   5.957   8.158
   31   HD13  LEU   4          HD13      LEU   4  12.194   4.744   7.986
   32   HD21  LEU   4          HD21      LEU   4  11.252   3.311   5.544
   33   HD22  LEU   4          HD22      LEU   4  12.877   3.962   5.726
   34   HD23  LEU   4          HD23      LEU   4  11.903   4.407   4.328
   35    H    LEU   5           HN       LEU   5   8.024   5.463   2.646
   36    HA   LEU   5           HA       LEU   5   6.876   7.989   2.164
   37    HB2  LEU   5           HB2      LEU   5   5.054   6.788   1.021
   38    HB3  LEU   5           HB1      LEU   5   6.629   6.254   0.505
   39    HG   LEU   5           HG       LEU   5   6.233   4.258   2.130
   40   HD11  LEU   5          HD11      LEU   5   3.394   5.157   1.746
   41   HD12  LEU   5          HD12      LEU   5   4.285   5.106   3.266
   42   HD13  LEU   5          HD13      LEU   5   3.912   3.609   2.414
   43   HD21  LEU   5          HD21      LEU   5   6.352   4.057  -0.277
   44   HD22  LEU   5          HD22      LEU   5   4.662   4.542  -0.413
   45   HD23  LEU   5          HD23      LEU   5   5.083   3.023   0.376
   46    H    THR   6           HN       THR   6   5.108   8.979   2.945
   47    HA   THR   6           HA       THR   6   4.529   8.253   5.673
   48    HB   THR   6           HB       THR   6   3.281  10.405   5.733
   49    HG1  THR   6           HG1      THR   6   4.209  10.625   3.027
   50   HG21  THR   6          HG21      THR   6   5.675  10.367   6.296
   51   HG22  THR   6          HG22      THR   6   5.251  11.875   5.486
   52   HG23  THR   6          HG23      THR   6   6.084  10.598   4.598
   53    H    THR   7           HN       THR   7   2.045   8.957   6.191
   54    HA   THR   7           HA       THR   7   0.453   6.895   5.135
   55    HB   THR   7           HB       THR   7  -0.410   9.381   6.648
   56    HG1  THR   7           HG1      THR   7   1.066   8.497   7.942
   57   HG21  THR   7          HG21      THR   7  -1.606   6.597   6.506
   58   HG22  THR   7          HG22      THR   7  -2.262   8.033   5.724
   59   HG23  THR   7          HG23      THR   7  -2.216   7.931   7.483
   60    H    ASP   8           HN       ASP   8   0.934  10.270   4.388
   61    HA   ASP   8           HA       ASP   8  -1.292  10.630   2.652
   62    HB2  ASP   8           HB2      ASP   8  -0.163  12.552   3.613
   63    HB3  ASP   8           HB1      ASP   8   1.340  12.101   2.802
   64    H    ASP   9           HN       ASP   9   2.078   9.771   2.171
   65    HA   ASP   9           HA       ASP   9   2.042   9.652  -0.658
   66    HB2  ASP   9           HB2      ASP   9   3.785   8.129   1.275
   67    HB3  ASP   9           HB1      ASP   9   3.995   8.144  -0.469
   68    H    LEU  10           HN       LEU  10   1.552   7.219   1.811
   69    HA   LEU  10           HA       LEU  10   1.123   5.032   0.117
   70    HB2  LEU  10           HB2      LEU  10   1.501   4.864   2.537
   71    HB3  LEU  10           HB1      LEU  10  -0.052   5.618   2.826
   72    HG   LEU  10           HG       LEU  10  -1.154   3.673   1.763
   73   HD11  LEU  10          HD11      LEU  10   0.671   2.928   0.334
   74   HD12  LEU  10          HD12      LEU  10   0.129   1.629   1.396
   75   HD13  LEU  10          HD13      LEU  10   1.624   2.495   1.754
   76   HD21  LEU  10          HD21      LEU  10  -0.730   2.143   3.644
   77   HD22  LEU  10          HD22      LEU  10  -0.918   3.822   4.161
   78   HD23  LEU  10          HD23      LEU  10   0.691   3.106   4.062
   79    H    ARG  11           HN       ARG  11  -1.108   7.344   1.594
   80    HA   ARG  11           HA       ARG  11  -3.508   6.391   0.659
   81    HB2  ARG  11           HB2      ARG  11  -3.376   8.182   2.293
   82    HB3  ARG  11           HB1      ARG  11  -2.682   9.249   1.079
   83    HG2  ARG  11           HG2      ARG  11  -4.750   9.167  -0.199
   84    HG3  ARG  11           HG1      ARG  11  -5.447   8.067   0.989
   85    HD2  ARG  11           HD2      ARG  11  -6.221  10.345   1.340
   86    HD3  ARG  11           HD1      ARG  11  -5.250   9.788   2.703
   87    HE   ARG  11           HE       ARG  11  -3.391  11.072   1.620
   88   HH11  ARG  11          HH11      ARG  11  -6.742  11.992   0.972
   89   HH12  ARG  11          HH12      ARG  11  -6.416  13.671   0.925
   90   HH21  ARG  11          HH21      ARG  11  -2.919  13.372   1.502
   91   HH22  ARG  11          HH22      ARG  11  -4.184  14.457   1.210
   92    H    ARG  12           HN       ARG  12  -1.491   8.916  -0.935
   93    HA   ARG  12           HA       ARG  12  -3.249   9.171  -3.092
   94    HB2  ARG  12           HB2      ARG  12  -1.371  10.218  -4.369
   95    HB3  ARG  12           HB1      ARG  12  -1.702  10.937  -2.801
   96    HG2  ARG  12           HG2      ARG  12   0.149   9.855  -1.858
   97    HG3  ARG  12           HG1      ARG  12   0.481   8.950  -3.336
   98    HD2  ARG  12           HD2      ARG  12   0.963  11.005  -4.540
   99    HD3  ARG  12           HD1      ARG  12   0.521  11.968  -3.133
  100    HE   ARG  12           HE       ARG  12   2.460  10.760  -2.037
  101   HH11  ARG  12          HH11      ARG  12   2.423  11.591  -5.488
  102   HH12  ARG  12          HH12      ARG  12   4.113  11.735  -5.621
  103   HH21  ARG  12          HH21      ARG  12   4.747  11.030  -2.182
  104   HH22  ARG  12          HH22      ARG  12   5.471  11.454  -3.682
  105    H    ALA  13           HN       ALA  13  -0.666   6.916  -2.622
  106    HA   ALA  13           HA       ALA  13  -0.627   5.995  -5.331
  107    HB1  ALA  13           HB1      ALA  13   0.856   4.263  -4.505
  108    HB2  ALA  13           HB2      ALA  13   0.473   4.714  -2.842
  109    HB3  ALA  13           HB3      ALA  13   1.331   5.844  -3.889
  110    H    LEU  14           HN       LEU  14  -2.228   5.014  -2.378
  111    HA   LEU  14           HA       LEU  14  -3.233   2.595  -3.529
  112    HB2  LEU  14           HB2      LEU  14  -2.698   2.758  -1.240
  113    HB3  LEU  14           HB1      LEU  14  -3.874   4.035  -0.946
  114    HG   LEU  14           HG       LEU  14  -5.666   2.328  -1.499
  115   HD11  LEU  14          HD11      LEU  14  -4.294   0.779  -2.780
  116   HD12  LEU  14          HD12      LEU  14  -5.055  -0.029  -1.409
  117   HD13  LEU  14          HD13      LEU  14  -3.349   0.412  -1.337
  118   HD21  LEU  14          HD21      LEU  14  -3.845   1.672   0.816
  119   HD22  LEU  14          HD22      LEU  14  -5.550   1.232   0.671
  120   HD23  LEU  14          HD23      LEU  14  -5.087   2.923   0.802
  121    H    VAL  15           HN       VAL  15  -4.406   5.863  -3.008
  122    HA   VAL  15           HA       VAL  15  -7.054   5.404  -3.916
  123    HB   VAL  15           HB       VAL  15  -5.415   7.989  -3.954
  124   HG11  VAL  15          HG11      VAL  15  -7.531   9.191  -4.210
  125   HG12  VAL  15          HG12      VAL  15  -8.392   7.659  -4.343
  126   HG13  VAL  15          HG13      VAL  15  -7.237   8.130  -5.590
  127   HG21  VAL  15          HG21      VAL  15  -7.553   7.037  -2.050
  128   HG22  VAL  15          HG22      VAL  15  -6.747   8.605  -1.998
  129   HG23  VAL  15          HG23      VAL  15  -5.824   7.130  -1.714
  130    H    GLU  16           HN       GLU  16  -4.017   5.897  -5.500
  131    HA   GLU  16           HA       GLU  16  -4.760   6.612  -8.082
  132    HB2  GLU  16           HB2      GLU  16  -2.441   6.541  -7.185
  133    HB3  GLU  16           HB1      GLU  16  -2.501   4.792  -7.242
  134    HG2  GLU  16           HG2      GLU  16  -1.255   5.583  -9.113
  135    HG3  GLU  16           HG1      GLU  16  -2.783   4.930  -9.699
  136    H    SER  17           HN       SER  17  -4.201   3.293  -6.780
  137    HA   SER  17           HA       SER  17  -5.037   2.018  -9.166
  138    HB2  SER  17           HB2      SER  17  -5.094   0.735  -6.404
  139    HB3  SER  17           HB1      SER  17  -4.857  -0.024  -7.967
  140    HG   SER  17           HG       SER  17  -3.048   0.548  -6.408
  141    H    ALA  18           HN       ALA  18  -6.687   3.048  -6.262
  142    HA   ALA  18           HA       ALA  18  -9.073   1.591  -6.545
  143    HB1  ALA  18           HB1      ALA  18  -8.641   4.178  -5.065
  144    HB2  ALA  18           HB2      ALA  18  -8.317   2.566  -4.430
  145    HB3  ALA  18           HB3      ALA  18  -9.969   3.040  -4.831
  146    H    GLY  19           HN       GLY  19  -7.991   4.395  -8.174
  147    HA2  GLY  19           HA2      GLY  19 -10.452   5.690  -8.646
  148    HA3  GLY  19           HA1      GLY  19  -9.010   5.851  -9.632
  149    H    GLU  20           HN       GLU  20  -8.945   2.968 -10.255
  150    HA   GLU  20           HA       GLU  20 -10.946   3.063 -12.388
  151    HB2  GLU  20           HB2      GLU  20  -8.542   1.246 -12.077
  152    HB3  GLU  20           HB1      GLU  20  -9.597   1.323 -13.477
  153    HG2  GLU  20           HG2      GLU  20  -7.787   3.528 -12.493
  154    HG3  GLU  20           HG1      GLU  20  -7.498   2.482 -13.877
  155    H    THR  21           HN       THR  21 -11.081   2.087  -9.426
  156    HA   THR  21           HA       THR  21 -12.807  -0.128 -10.013
  157    HB   THR  21           HB       THR  21 -10.689  -1.296  -9.585
  158    HG1  THR  21           HG1      THR  21 -12.703  -2.075  -8.593
  159   HG21  THR  21          HG21      THR  21  -9.484  -1.132  -7.442
  160   HG22  THR  21          HG22      THR  21 -10.576   0.158  -6.939
  161   HG23  THR  21          HG23      THR  21  -9.494   0.404  -8.309
  162    H    ASP  22           HN       ASP  22 -12.804  -0.597  -6.989
  163    HA   ASP  22           HA       ASP  22 -14.636   1.596  -6.365
  164    HB2  ASP  22           HB2      ASP  22 -14.134  -1.035  -4.966
  165    HB3  ASP  22           HB1      ASP  22 -15.185   0.219  -4.335
  166    H    GLY  23           HN       GLY  23 -14.547   2.440  -4.133
  167    HA2  GLY  23           HA2      GLY  23 -12.227   2.162  -2.615
  168    HA3  GLY  23           HA1      GLY  23 -12.236   3.670  -3.542
  169    H    THR  24           HN       THR  24 -12.536   4.950  -1.845
  170    HA   THR  24           HA       THR  24 -15.086   5.691  -1.166
  171    HB   THR  24           HB       THR  24 -15.222   3.574   0.164
  172    HG1  THR  24           HG1      THR  24 -16.477   4.979   1.126
  173   HG21  THR  24          HG21      THR  24 -12.915   4.708   1.775
  174   HG22  THR  24          HG22      THR  24 -12.853   3.282   0.739
  175   HG23  THR  24          HG23      THR  24 -13.841   3.268   2.199
  176    H    ASP  25           HN       ASP  25 -14.475   6.659   1.466
  177    HA   ASP  25           HA       ASP  25 -12.586   8.748   0.777
  178    HB2  ASP  25           HB2      ASP  25 -14.693   9.175   2.138
  179    HB3  ASP  25           HB1      ASP  25 -13.932   8.283   3.455
  180    H    LEU  26           HN       LEU  26 -10.530   8.251   0.903
  181    HA   LEU  26           HA       LEU  26  -9.714   6.157   2.812
  182    HB2  LEU  26           HB2      LEU  26  -9.649   5.711   0.321
  183    HB3  LEU  26           HB1      LEU  26  -8.404   6.936   0.209
  184    HG   LEU  26           HG       LEU  26  -6.948   5.555   1.654
  185   HD11  LEU  26          HD11      LEU  26  -9.171   3.525   1.418
  186   HD12  LEU  26          HD12      LEU  26  -8.688   4.364   2.890
  187   HD13  LEU  26          HD13      LEU  26  -7.576   3.235   2.115
  188   HD21  LEU  26          HD21      LEU  26  -6.805   5.397  -0.776
  189   HD22  LEU  26          HD22      LEU  26  -8.050   4.147  -0.772
  190   HD23  LEU  26          HD23      LEU  26  -6.484   3.837  -0.020
  191    H    SER  27           HN       SER  27  -9.903   9.069   3.210
  192    HA   SER  27           HA       SER  27  -7.079   9.760   3.581
  193    HB2  SER  27           HB2      SER  27  -8.535  11.311   2.240
  194    HB3  SER  27           HB1      SER  27  -9.515  11.547   3.686
  195    HG   SER  27           HG       SER  27  -8.160  13.003   4.241
  196    H    GLY  28           HN       GLY  28  -6.569  10.788   5.700
  197    HA2  GLY  28           HA2      GLY  28  -6.892  11.130   7.956
  198    HA3  GLY  28           HA1      GLY  28  -8.515  10.480   7.801
  199    H    ASP  29           HN       ASP  29  -8.870   8.581   8.723
  200    HA   ASP  29           HA       ASP  29  -6.555   6.982   9.583
  201    HB2  ASP  29           HB2      ASP  29  -7.867   7.736  11.444
  202    HB3  ASP  29           HB1      ASP  29  -9.364   7.257  10.658
  203    H    PHE  30           HN       PHE  30  -6.218   5.187   8.435
  204    HA   PHE  30           HA       PHE  30  -8.463   3.558   7.611
  205    HB2  PHE  30           HB2      PHE  30  -7.978   3.589   5.213
  206    HB3  PHE  30           HB1      PHE  30  -8.399   5.195   5.789
  207    HD1  PHE  30           HD1      PHE  30  -6.569   6.906   6.065
  208    HD2  PHE  30           HD2      PHE  30  -5.901   3.148   4.182
  209    HE1  PHE  30           HE1      PHE  30  -4.517   7.786   5.034
  210    HE2  PHE  30           HE2      PHE  30  -3.853   4.016   3.155
  211    HZ   PHE  30           HZ       PHE  30  -3.152   6.339   3.580
  212    H    LEU  31           HN       LEU  31  -5.585   3.524   9.009
  213    HA   LEU  31           HA       LEU  31  -4.216   1.699   7.260
  214    HB2  LEU  31           HB2      LEU  31  -3.466   2.688  10.011
  215    HB3  LEU  31           HB1      LEU  31  -2.501   1.565   9.086
  216    HG   LEU  31           HG       LEU  31  -1.454   3.628   8.877
  217   HD11  LEU  31          HD11      LEU  31  -1.521   2.464   6.806
  218   HD12  LEU  31          HD12      LEU  31  -1.581   4.203   6.518
  219   HD13  LEU  31          HD13      LEU  31  -3.048   3.233   6.378
  220   HD21  LEU  31          HD21      LEU  31  -4.103   4.881   8.171
  221   HD22  LEU  31          HD22      LEU  31  -2.541   5.710   8.177
  222   HD23  LEU  31          HD23      LEU  31  -3.212   5.074   9.682
  223    H    ASP  32           HN       ASP  32  -6.437   1.455   9.825
  224    HA   ASP  32           HA       ASP  32  -5.620  -1.330  10.317
  225    HB2  ASP  32           HB2      ASP  32  -5.854   0.188  12.288
  226    HB3  ASP  32           HB1      ASP  32  -7.564   0.354  11.913
  227    H    LEU  33           HN       LEU  33  -7.736   0.402   8.500
  228    HA   LEU  33           HA       LEU  33 -10.006  -1.350   8.623
  229    HB2  LEU  33           HB2      LEU  33  -9.221   0.701   6.538
  230    HB3  LEU  33           HB1      LEU  33 -10.763  -0.127   6.616
  231    HG   LEU  33           HG       LEU  33  -9.708   1.806   8.683
  232   HD11  LEU  33          HD11      LEU  33 -11.887   2.111   6.627
  233   HD12  LEU  33          HD12      LEU  33 -10.313   2.905   6.605
  234   HD13  LEU  33          HD13      LEU  33 -11.473   3.283   7.880
  235   HD21  LEU  33          HD21      LEU  33 -11.139   0.087   9.678
  236   HD22  LEU  33          HD22      LEU  33 -12.389   0.420   8.479
  237   HD23  LEU  33          HD23      LEU  33 -11.951   1.651   9.660
  238    H    ARG  34           HN       ARG  34 -10.363  -3.115   7.387
  239    HA   ARG  34           HA       ARG  34  -8.052  -4.261   6.130
  240    HB2  ARG  34           HB2      ARG  34 -10.887  -5.279   6.224
  241    HB3  ARG  34           HB1      ARG  34  -9.488  -6.192   5.691
  242    HG2  ARG  34           HG2      ARG  34  -8.549  -5.961   7.987
  243    HG3  ARG  34           HG1      ARG  34 -10.073  -5.205   8.473
  244    HD2  ARG  34           HD2      ARG  34 -10.088  -7.570   9.012
  245    HD3  ARG  34           HD1      ARG  34 -11.283  -7.222   7.757
  246    HE   ARG  34           HE       ARG  34  -8.608  -8.153   7.061
  247   HH11  ARG  34          HH11      ARG  34 -12.115  -8.867   7.136
  248   HH12  ARG  34          HH12      ARG  34 -11.978 -10.072   5.910
  249   HH21  ARG  34          HH21      ARG  34  -8.530  -9.825   5.462
  250   HH22  ARG  34          HH22      ARG  34  -9.957 -10.652   4.968
  251    H    PHE  35           HN       PHE  35  -7.855  -4.882   3.965
  252    HA   PHE  35           HA       PHE  35  -8.898  -3.048   2.092
  253    HB2  PHE  35           HB2      PHE  35  -7.441  -5.651   1.685
  254    HB3  PHE  35           HB1      PHE  35  -7.920  -4.602   0.357
  255    HD1  PHE  35           HD2      PHE  35  -7.186  -2.061   0.732
  256    HD2  PHE  35           HD1      PHE  35  -5.320  -5.452   2.469
  257    HE1  PHE  35           HE2      PHE  35  -5.132  -0.756   1.061
  258    HE2  PHE  35           HE1      PHE  35  -3.263  -4.153   2.809
  259    HZ   PHE  35           HZ       PHE  35  -3.135  -1.824   1.958
  260    H    GLU  36           HN       GLU  36  -9.957  -6.131   3.178
  261    HA   GLU  36           HA       GLU  36 -11.829  -6.817   1.225
  262    HB2  GLU  36           HB2      GLU  36 -11.148  -8.206   3.181
  263    HB3  GLU  36           HB1      GLU  36 -12.091  -7.151   4.218
  264    HG2  GLU  36           HG2      GLU  36 -13.371  -9.099   3.807
  265    HG3  GLU  36           HG1      GLU  36 -14.106  -7.778   2.899
  266    H    ASP  37           HN       ASP  37 -11.966  -4.446   3.825
  267    HA   ASP  37           HA       ASP  37 -14.792  -4.044   3.703
  268    HB2  ASP  37           HB2      ASP  37 -13.481  -3.550   5.757
  269    HB3  ASP  37           HB1      ASP  37 -12.690  -2.226   4.907
  270    H    ILE  38           HN       ILE  38 -11.980  -2.387   2.386
  271    HA   ILE  38           HA       ILE  38 -13.709  -0.479   1.083
  272    HB   ILE  38           HB       ILE  38 -11.661   0.561   0.130
  273   HG12  ILE  38          HG12      ILE  38 -10.182  -1.572   1.705
  274   HG13  ILE  38          HG11      ILE  38 -10.263  -1.474  -0.050
  275   HG21  ILE  38          HG21      ILE  38 -10.746   1.379   2.259
  276   HG22  ILE  38          HG22      ILE  38 -11.582   0.079   3.106
  277   HG23  ILE  38          HG23      ILE  38 -12.507   1.321   2.262
  278   HD11  ILE  38          HD11      ILE  38  -9.047   0.651   0.016
  279   HD12  ILE  38          HD12      ILE  38  -8.131  -0.643   0.786
  280   HD13  ILE  38          HD13      ILE  38  -8.968   0.550   1.775
  281    H    GLY  39           HN       GLY  39 -13.126  -3.507   0.453
  282    HA2  GLY  39           HA2      GLY  39 -13.580  -4.841  -1.349
  283    HA3  GLY  39           HA1      GLY  39 -14.164  -3.405  -2.174
  284    H    TYR  40           HN       TYR  40 -10.948  -4.259  -0.970
  285    HA   TYR  40           HA       TYR  40  -9.922  -3.673  -3.638
  286    HB2  TYR  40           HB2      TYR  40  -8.933  -3.160  -0.994
  287    HB3  TYR  40           HB1      TYR  40  -7.834  -4.249  -1.859
  288    HD1  TYR  40           HD1      TYR  40  -9.548  -0.967  -2.193
  289    HD2  TYR  40           HD2      TYR  40  -6.361  -3.492  -3.396
  290    HE1  TYR  40           HE1      TYR  40  -8.537   0.899  -3.440
  291    HE2  TYR  40           HE2      TYR  40  -5.347  -1.651  -4.637
  292    HH   TYR  40           HH       TYR  40  -6.300   1.547  -4.280
  293    H    ASP  41           HN       ASP  41  -8.785  -5.135  -4.778
  294    HA   ASP  41           HA       ASP  41  -9.029  -7.935  -3.960
  295    HB2  ASP  41           HB2      ASP  41  -9.750  -7.136  -6.293
  296    HB3  ASP  41           HB1      ASP  41  -8.034  -6.793  -6.548
  297    H    SER  42           HN       SER  42  -7.121  -9.275  -4.440
  298    HA   SER  42           HA       SER  42  -4.877  -8.287  -3.004
  299    HB2  SER  42           HB2      SER  42  -5.121 -10.845  -4.571
  300    HB3  SER  42           HB1      SER  42  -4.017 -10.509  -3.226
  301    H    LEU  43           HN       LEU  43  -5.589  -8.939  -6.407
  302    HA   LEU  43           HA       LEU  43  -2.917  -8.574  -7.342
  303    HB2  LEU  43           HB2      LEU  43  -5.535  -8.229  -8.812
  304    HB3  LEU  43           HB1      LEU  43  -3.956  -8.367  -9.559
  305    HG   LEU  43           HG       LEU  43  -5.314 -10.543  -7.966
  306   HD11  LEU  43          HD11      LEU  43  -5.620 -11.634 -10.124
  307   HD12  LEU  43          HD12      LEU  43  -4.963 -10.214 -10.937
  308   HD13  LEU  43          HD13      LEU  43  -6.477 -10.096 -10.040
  309   HD21  LEU  43          HD21      LEU  43  -3.539 -11.977  -8.857
  310   HD22  LEU  43          HD22      LEU  43  -2.871 -10.670  -7.879
  311   HD23  LEU  43          HD23      LEU  43  -2.799 -10.578  -9.638
  312    H    ALA  44           HN       ALA  44  -5.604  -6.539  -6.640
  313    HA   ALA  44           HA       ALA  44  -4.677  -4.162  -7.863
  314    HB1  ALA  44           HB1      ALA  44  -6.535  -4.459  -5.486
  315    HB2  ALA  44           HB2      ALA  44  -7.031  -4.505  -7.177
  316    HB3  ALA  44           HB3      ALA  44  -6.353  -3.027  -6.499
  317    H    LEU  45           HN       LEU  45  -4.240  -5.607  -4.687
  318    HA   LEU  45           HA       LEU  45  -2.783  -3.486  -3.492
  319    HB2  LEU  45           HB2      LEU  45  -2.603  -6.432  -2.944
  320    HB3  LEU  45           HB1      LEU  45  -2.000  -5.163  -1.905
  321    HG   LEU  45           HG       LEU  45  -4.890  -5.698  -2.539
  322   HD11  LEU  45          HD11      LEU  45  -5.014  -6.296  -0.171
  323   HD12  LEU  45          HD12      LEU  45  -3.273  -6.033  -0.023
  324   HD13  LEU  45          HD13      LEU  45  -3.883  -7.337  -1.043
  325   HD21  LEU  45          HD21      LEU  45  -4.452  -3.326  -2.285
  326   HD22  LEU  45          HD22      LEU  45  -3.590  -3.637  -0.779
  327   HD23  LEU  45          HD23      LEU  45  -5.323  -3.948  -0.883
  328    H    MET  46           HN       MET  46  -1.901  -6.318  -5.320
  329    HA   MET  46           HA       MET  46   0.891  -6.124  -5.037
  330    HB2  MET  46           HB2      MET  46  -0.739  -7.378  -7.252
  331    HB3  MET  46           HB1      MET  46   0.988  -7.622  -7.012
  332    HG2  MET  46           HG2      MET  46   0.593  -8.688  -4.897
  333    HG3  MET  46           HG1      MET  46  -1.131  -8.321  -5.009
  334    HE1  MET  46           HE1      MET  46  -1.783 -10.841  -4.532
  335    HE2  MET  46           HE2      MET  46  -0.071 -11.227  -4.347
  336    HE3  MET  46           HE3      MET  46  -1.092 -12.216  -5.394
  337    H    GLU  47           HN       GLU  47  -1.351  -4.734  -7.350
  338    HA   GLU  47           HA       GLU  47   0.625  -3.560  -9.021
  339    HB2  GLU  47           HB2      GLU  47  -1.888  -3.922  -9.512
  340    HB3  GLU  47           HB1      GLU  47  -2.143  -2.483  -8.559
  341    HG2  GLU  47           HG2      GLU  47  -2.104  -1.947 -10.927
  342    HG3  GLU  47           HG1      GLU  47  -0.784  -1.161 -10.056
  343    H    THR  48           HN       THR  48  -1.238  -2.447  -6.263
  344    HA   THR  48           HA       THR  48  -0.367   0.202  -6.144
  345    HB   THR  48           HB       THR  48  -1.267  -1.661  -3.931
  346    HG1  THR  48           HG1      THR  48  -2.928  -1.491  -5.347
  347   HG21  THR  48          HG21      THR  48  -1.201   1.373  -4.018
  348   HG22  THR  48          HG22      THR  48  -0.159   0.344  -3.025
  349   HG23  THR  48          HG23      THR  48  -1.895   0.388  -2.728
  350    H    ALA  49           HN       ALA  49   0.923  -2.705  -4.500
  351    HA   ALA  49           HA       ALA  49   3.083  -1.421  -3.243
  352    HB1  ALA  49           HB1      ALA  49   2.892  -4.281  -4.198
  353    HB2  ALA  49           HB2      ALA  49   2.331  -3.678  -2.638
  354    HB3  ALA  49           HB3      ALA  49   4.052  -3.661  -3.022
  355    H    ALA  50           HN       ALA  50   2.702  -2.793  -6.447
  356    HA   ALA  50           HA       ALA  50   5.392  -2.685  -7.241
  357    HB1  ALA  50           HB1      ALA  50   3.713  -4.048  -8.357
  358    HB2  ALA  50           HB2      ALA  50   4.577  -3.001  -9.481
  359    HB3  ALA  50           HB3      ALA  50   2.942  -2.584  -8.966
  360    H    ARG  51           HN       ARG  51   2.783  -0.300  -7.538
  361    HA   ARG  51           HA       ARG  51   4.329   1.460  -9.124
  362    HB2  ARG  51           HB2      ARG  51   2.679   3.165  -8.744
  363    HB3  ARG  51           HB1      ARG  51   1.817   1.649  -8.872
  364    HG2  ARG  51           HG2      ARG  51   1.553   1.579  -6.452
  365    HG3  ARG  51           HG1      ARG  51   2.464   3.084  -6.309
  366    HD2  ARG  51           HD2      ARG  51   0.171   3.672  -6.185
  367    HD3  ARG  51           HD1      ARG  51   0.725   4.150  -7.784
  368    HE   ARG  51           HE       ARG  51  -1.148   2.058  -7.087
  369   HH11  ARG  51          HH11      ARG  51   0.690   3.647  -9.700
  370   HH12  ARG  51          HH12      ARG  51  -0.277   3.074 -10.959
  371   HH21  ARG  51          HH21      ARG  51  -2.500   1.295  -8.811
  372   HH22  ARG  51          HH22      ARG  51  -2.163   1.637 -10.457
  373    H    LEU  52           HN       LEU  52   4.107   0.882  -5.745
  374    HA   LEU  52           HA       LEU  52   5.580   3.168  -4.929
  375    HB2  LEU  52           HB2      LEU  52   5.015   0.571  -3.499
  376    HB3  LEU  52           HB1      LEU  52   5.752   1.978  -2.754
  377    HG   LEU  52           HG       LEU  52   2.967   1.887  -3.913
  378   HD11  LEU  52          HD11      LEU  52   2.218   2.058  -1.598
  379   HD12  LEU  52          HD12      LEU  52   3.889   1.937  -1.048
  380   HD13  LEU  52          HD13      LEU  52   3.133   0.577  -1.877
  381   HD21  LEU  52          HD21      LEU  52   3.981   4.086  -4.100
  382   HD22  LEU  52          HD22      LEU  52   4.406   4.048  -2.389
  383   HD23  LEU  52          HD23      LEU  52   2.714   4.085  -2.873
  384    H    GLU  53           HN       GLU  53   6.380  -0.137  -5.804
  385    HA   GLU  53           HA       GLU  53   9.119  -0.197  -5.169
  386    HB2  GLU  53           HB2      GLU  53   7.838  -1.280  -7.679
  387    HB3  GLU  53           HB1      GLU  53   9.411  -1.712  -7.060
  388    HG2  GLU  53           HG2      GLU  53   8.309  -2.743  -5.124
  389    HG3  GLU  53           HG1      GLU  53   6.743  -2.362  -5.865
  390    H    SER  54           HN       SER  54   7.472   0.737  -8.103
  391    HA   SER  54           HA       SER  54   9.723   1.500  -9.589
  392    HB2  SER  54           HB2      SER  54   7.504   0.768 -10.497
  393    HB3  SER  54           HB1      SER  54   6.839   2.322 -10.000
  394    HG   SER  54           HG       SER  54   9.099   2.092 -11.658
  395    H    ARG  55           HN       ARG  55   7.805   3.176  -7.281
  396    HA   ARG  55           HA       ARG  55   8.736   5.792  -8.094
  397    HB2  ARG  55           HB2      ARG  55   6.451   5.603  -7.366
  398    HB3  ARG  55           HB1      ARG  55   6.943   4.876  -5.849
  399    HG2  ARG  55           HG2      ARG  55   6.237   7.196  -5.576
  400    HG3  ARG  55           HG1      ARG  55   7.930   6.980  -5.140
  401    HD2  ARG  55           HD2      ARG  55   7.544   9.013  -6.399
  402    HD3  ARG  55           HD1      ARG  55   8.619   7.915  -7.264
  403    HE   ARG  55           HE       ARG  55   5.820   7.709  -7.967
  404   HH11  ARG  55          HH11      ARG  55   8.982   9.074  -8.761
  405   HH12  ARG  55          HH12      ARG  55   8.550   9.632 -10.298
  406   HH21  ARG  55          HH21      ARG  55   5.175   8.444 -10.136
  407   HH22  ARG  55          HH22      ARG  55   6.335   9.236 -11.109
  408    H    TYR  56           HN       TYR  56   9.045   3.720  -5.192
  409    HA   TYR  56           HA       TYR  56  10.887   5.667  -4.124
  410    HB2  TYR  56           HB2      TYR  56   9.556   3.298  -2.826
  411    HB3  TYR  56           HB1      TYR  56  10.670   4.391  -1.994
  412    HD1  TYR  56           HD1      TYR  56  10.056   6.718  -1.590
  413    HD2  TYR  56           HD2      TYR  56   7.311   4.035  -3.402
  414    HE1  TYR  56           HE1      TYR  56   8.249   8.334  -1.238
  415    HE2  TYR  56           HE2      TYR  56   5.495   5.652  -3.043
  416    HH   TYR  56           HH       TYR  56   6.159   8.879  -2.063
  417    H    GLY  57           HN       GLY  57  11.148   2.681  -5.725
  418    HA2  GLY  57           HA2      GLY  57  13.188   1.925  -6.553
  419    HA3  GLY  57           HA1      GLY  57  14.018   2.881  -5.336
  420    H    VAL  58           HN       VAL  58  11.863   0.096  -5.628
  421    HA   VAL  58           HA       VAL  58  13.624  -1.453  -4.004
  422    HB   VAL  58           HB       VAL  58  12.114  -0.226  -2.368
  423   HG11  VAL  58          HG11      VAL  58  10.073  -0.105  -3.578
  424   HG12  VAL  58          HG12      VAL  58   9.791  -0.971  -2.068
  425   HG13  VAL  58          HG13      VAL  58   9.914  -1.859  -3.582
  426   HG21  VAL  58          HG21      VAL  58  11.870  -3.236  -2.345
  427   HG22  VAL  58          HG22      VAL  58  11.596  -2.175  -0.965
  428   HG23  VAL  58          HG23      VAL  58  13.201  -2.285  -1.683
  429    H    SER  59           HN       SER  59  12.725  -3.794  -3.982
  430    HA   SER  59           HA       SER  59  10.799  -4.209  -6.095
  431    HB2  SER  59           HB2      SER  59  13.477  -5.613  -5.870
  432    HB3  SER  59           HB1      SER  59  12.198  -6.040  -7.009
  433    HG   SER  59           HG       SER  59  12.330  -3.816  -7.712
  434    H    ILE  60           HN       ILE  60   9.227  -5.305  -5.327
  435    HA   ILE  60           HA       ILE  60   9.658  -7.326  -3.242
  436    HB   ILE  60           HB       ILE  60   7.459  -5.219  -3.227
  437   HG12  ILE  60          HG12      ILE  60   9.723  -5.703  -1.266
  438   HG13  ILE  60          HG11      ILE  60   9.652  -4.388  -2.430
  439   HG21  ILE  60          HG21      ILE  60   7.919  -7.522  -1.322
  440   HG22  ILE  60          HG22      ILE  60   6.595  -7.372  -2.476
  441   HG23  ILE  60          HG23      ILE  60   6.714  -6.249  -1.121
  442   HD11  ILE  60          HD11      ILE  60   7.686  -3.494  -1.286
  443   HD12  ILE  60          HD12      ILE  60   9.069  -3.632  -0.202
  444   HD13  ILE  60          HD13      ILE  60   7.764  -4.818  -0.124
  445    HA   PRO  61           HA       PRO  61   7.483  -9.777  -6.307
  446    HB2  PRO  61           HB2      PRO  61   7.154 -11.481  -3.878
  447    HB3  PRO  61           HB1      PRO  61   7.725 -11.918  -5.495
  448    HG2  PRO  61           HG2      PRO  61   9.468 -11.668  -3.531
  449    HG3  PRO  61           HG1      PRO  61   9.839 -11.005  -5.137
  450    HD2  PRO  61           HD2      PRO  61   8.926  -9.588  -2.669
  451    HD3  PRO  61           HD1      PRO  61  10.158  -9.108  -3.855
  452    H    ASP  62           HN       ASP  62   5.394 -10.050  -6.858
  453    HA   ASP  62           HA       ASP  62   3.332  -8.563  -5.768
  454    HB2  ASP  62           HB2      ASP  62   3.136 -11.060  -7.470
  455    HB3  ASP  62           HB1      ASP  62   1.804  -9.961  -7.148
  456    H    ASP  63           HN       ASP  63   4.114 -11.937  -5.321
  457    HA   ASP  63           HA       ASP  63   1.816 -12.732  -3.911
  458    HB2  ASP  63           HB2      ASP  63   3.026 -14.736  -3.259
  459    HB3  ASP  63           HB1      ASP  63   3.348 -14.353  -4.942
  460    H    VAL  64           HN       VAL  64   4.414 -10.831  -2.798
  461    HA   VAL  64           HA       VAL  64   4.129 -11.536  -0.020
  462    HB   VAL  64           HB       VAL  64   5.413  -9.106  -1.271
  463   HG11  VAL  64          HG11      VAL  64   6.684  -8.964   0.850
  464   HG12  VAL  64          HG12      VAL  64   5.759 -10.331   1.474
  465   HG13  VAL  64          HG13      VAL  64   4.946  -8.809   1.108
  466   HG21  VAL  64          HG21      VAL  64   6.663 -11.725  -0.456
  467   HG22  VAL  64          HG22      VAL  64   7.548 -10.298  -0.998
  468   HG23  VAL  64          HG23      VAL  64   6.451 -11.131  -2.102
  469    H    ALA  65           HN       ALA  65   2.784  -9.246  -2.254
  470    HA   ALA  65           HA       ALA  65   1.638  -7.521  -0.264
  471    HB1  ALA  65           HB1      ALA  65   2.308  -6.649  -2.454
  472    HB2  ALA  65           HB2      ALA  65   0.590  -6.377  -2.142
  473    HB3  ALA  65           HB3      ALA  65   1.095  -7.673  -3.226
  474    H    GLY  66           HN       GLY  66   0.899 -10.544  -1.224
  475    HA2  GLY  66           HA2      GLY  66  -1.982 -10.278  -1.114
  476    HA3  GLY  66           HA1      GLY  66  -1.075 -11.782  -1.255
  477    H    ARG  67           HN       ARG  67   0.502 -10.308   1.108
  478    HA   ARG  67           HA       ARG  67  -1.161 -11.590   3.154
  479    HB2  ARG  67           HB2      ARG  67   1.791 -11.028   3.124
  480    HB3  ARG  67           HB1      ARG  67   0.927 -11.614   4.535
  481    HG2  ARG  67           HG2      ARG  67   0.257 -13.613   3.241
  482    HG3  ARG  67           HG1      ARG  67   1.238 -13.029   1.897
  483    HD2  ARG  67           HD2      ARG  67   2.293 -13.565   4.669
  484    HD3  ARG  67           HD1      ARG  67   2.370 -14.720   3.344
  485    HE   ARG  67           HE       ARG  67   3.928 -13.366   2.250
  486   HH11  ARG  67          HH11      ARG  67   3.027 -11.926   5.398
  487   HH12  ARG  67          HH12      ARG  67   4.457 -11.051   5.571
  488   HH21  ARG  67          HH21      ARG  67   5.998 -12.245   2.597
  489   HH22  ARG  67          HH22      ARG  67   6.197 -11.277   3.993
  490    H    VAL  68           HN       VAL  68  -0.633  -8.576   2.046
  491    HA   VAL  68           HA       VAL  68  -0.646  -7.412   4.707
  492    HB   VAL  68           HB       VAL  68  -0.518  -5.180   3.543
  493   HG11  VAL  68          HG11      VAL  68   1.800  -5.415   2.775
  494   HG12  VAL  68          HG12      VAL  68   1.606  -7.170   2.774
  495   HG13  VAL  68          HG13      VAL  68   1.499  -6.270   4.288
  496   HG21  VAL  68          HG21      VAL  68  -0.211  -6.835   1.028
  497   HG22  VAL  68          HG22      VAL  68   0.053  -5.098   1.149
  498   HG23  VAL  68          HG23      VAL  68  -1.566  -5.762   1.393
  499    H    ASP  69           HN       ASP  69  -2.488  -7.507   5.658
  500    HA   ASP  69           HA       ASP  69  -4.942  -7.678   4.148
  501    HB2  ASP  69           HB2      ASP  69  -4.450  -9.166   6.077
  502    HB3  ASP  69           HB1      ASP  69  -4.531  -7.764   7.129
  503    H    THR  70           HN       THR  70  -3.324  -5.358   6.177
  504    HA   THR  70           HA       THR  70  -5.482  -3.474   5.648
  505    HB   THR  70           HB       THR  70  -4.838  -2.381   7.831
  506    HG1  THR  70           HG1      THR  70  -3.521  -4.814   8.463
  507   HG21  THR  70          HG21      THR  70  -6.785  -3.874   7.752
  508   HG22  THR  70          HG22      THR  70  -5.944  -4.048   9.294
  509   HG23  THR  70          HG23      THR  70  -5.737  -5.263   8.029
  510    HA   PRO  71           HA       PRO  71  -2.553  -0.919   3.546
  511    HB2  PRO  71           HB2      PRO  71  -3.478   1.381   5.193
  512    HB3  PRO  71           HB1      PRO  71  -3.415   1.207   3.434
  513    HG2  PRO  71           HG2      PRO  71  -5.733   1.045   4.675
  514    HG3  PRO  71           HG1      PRO  71  -5.349  -0.093   3.367
  515    HD2  PRO  71           HD2      PRO  71  -5.259  -0.529   6.331
  516    HD3  PRO  71           HD1      PRO  71  -5.895  -1.592   5.060
  517    H    ARG  72           HN       ARG  72  -2.583  -0.687   7.035
  518    HA   ARG  72           HA       ARG  72  -0.251   0.816   7.483
  519    HB2  ARG  72           HB2      ARG  72  -1.876   0.104   9.221
  520    HB3  ARG  72           HB1      ARG  72  -1.262  -1.534   9.075
  521    HG2  ARG  72           HG2      ARG  72   1.021  -0.525   9.647
  522    HG3  ARG  72           HG1      ARG  72   0.104   0.888  10.181
  523    HD2  ARG  72           HD2      ARG  72  -0.180  -1.936  11.165
  524    HD3  ARG  72           HD1      ARG  72   0.515  -0.582  12.048
  525    HE   ARG  72           HE       ARG  72  -1.635   0.410  12.118
  526   HH11  ARG  72          HH11      ARG  72  -1.625  -3.002  10.975
  527   HH12  ARG  72          HH12      ARG  72  -3.174  -3.346  11.569
  528   HH21  ARG  72          HH21      ARG  72  -3.785  -0.113  12.937
  529   HH22  ARG  72          HH22      ARG  72  -4.445  -1.667  12.705
  530    H    GLU  73           HN       GLU  73  -0.818  -2.607   7.013
  531    HA   GLU  73           HA       GLU  73   1.802  -3.531   7.449
  532    HB2  GLU  73           HB2      GLU  73  -0.272  -4.844   5.706
  533    HB3  GLU  73           HB1      GLU  73   1.007  -5.611   6.631
  534    HG2  GLU  73           HG2      GLU  73  -1.459  -4.275   7.719
  535    HG3  GLU  73           HG1      GLU  73  -1.127  -5.999   7.664
  536    H    LEU  74           HN       LEU  74  -0.026  -2.589   4.599
  537    HA   LEU  74           HA       LEU  74   1.837  -3.379   2.612
  538    HB2  LEU  74           HB2      LEU  74  -0.676  -2.656   2.437
  539    HB3  LEU  74           HB1      LEU  74  -0.057  -1.030   2.347
  540    HG   LEU  74           HG       LEU  74   0.446  -3.244   0.328
  541   HD11  LEU  74          HD11      LEU  74  -0.947  -1.911  -1.155
  542   HD12  LEU  74          HD12      LEU  74  -1.272  -0.791   0.164
  543   HD13  LEU  74          HD13      LEU  74  -1.819  -2.466   0.274
  544   HD21  LEU  74          HD21      LEU  74   1.237  -0.325   0.203
  545   HD22  LEU  74          HD22      LEU  74   1.433  -1.502  -1.093
  546   HD23  LEU  74          HD23      LEU  74   2.347  -1.678   0.408
  547    H    LEU  75           HN       LEU  75   1.284  -0.345   4.325
  548    HA   LEU  75           HA       LEU  75   3.203   1.340   3.162
  549    HB2  LEU  75           HB2      LEU  75   1.315   1.828   4.858
  550    HB3  LEU  75           HB1      LEU  75   2.409   1.260   6.078
  551    HG   LEU  75           HG       LEU  75   2.938   3.710   4.359
  552   HD11  LEU  75          HD11      LEU  75   2.333   4.970   6.348
  553   HD12  LEU  75          HD12      LEU  75   1.985   3.462   7.189
  554   HD13  LEU  75          HD13      LEU  75   0.963   3.967   5.840
  555   HD21  LEU  75          HD21      LEU  75   4.169   2.707   6.875
  556   HD22  LEU  75          HD22      LEU  75   4.548   4.229   6.021
  557   HD23  LEU  75          HD23      LEU  75   4.886   2.659   5.254
  558    H    ASP  76           HN       ASP  76   3.321  -0.727   6.001
  559    HA   ASP  76           HA       ASP  76   5.939  -0.205   6.750
  560    HB2  ASP  76           HB2      ASP  76   4.384  -1.145   8.324
  561    HB3  ASP  76           HB1      ASP  76   4.178  -2.585   7.339
  562    H    LEU  77           HN       LEU  77   4.532  -2.690   4.715
  563    HA   LEU  77           HA       LEU  77   6.715  -4.351   4.308
  564    HB2  LEU  77           HB2      LEU  77   4.441  -4.893   3.614
  565    HB3  LEU  77           HB1      LEU  77   4.489  -3.627   2.407
  566    HG   LEU  77           HG       LEU  77   6.265  -4.855   1.220
  567   HD11  LEU  77          HD11      LEU  77   5.738  -6.991   3.278
  568   HD12  LEU  77          HD12      LEU  77   7.222  -6.052   3.104
  569   HD13  LEU  77          HD13      LEU  77   6.733  -7.176   1.833
  570   HD21  LEU  77          HD21      LEU  77   3.936  -5.133   0.567
  571   HD22  LEU  77          HD22      LEU  77   3.749  -6.429   1.749
  572   HD23  LEU  77          HD23      LEU  77   4.819  -6.648   0.366
  573    H    ILE  78           HN       ILE  78   5.685  -1.545   2.411
  574    HA   ILE  78           HA       ILE  78   7.787  -1.697   0.524
  575    HB   ILE  78           HB       ILE  78   6.099   0.689   1.339
  576   HG12  ILE  78          HG12      ILE  78   4.774  -1.174   0.460
  577   HG13  ILE  78          HG11      ILE  78   4.788   0.172  -0.670
  578   HG21  ILE  78          HG21      ILE  78   8.151   1.431   0.234
  579   HG22  ILE  78          HG22      ILE  78   6.754   1.683  -0.817
  580   HG23  ILE  78          HG23      ILE  78   7.840   0.328  -1.109
  581   HD11  ILE  78          HD11      ILE  78   6.475  -0.998  -2.021
  582   HD12  ILE  78          HD12      ILE  78   4.995  -1.942  -1.843
  583   HD13  ILE  78          HD13      ILE  78   6.422  -2.350  -0.892
  584    H    ASN  79           HN       ASN  79   7.336   0.578   3.241
  585    HA   ASN  79           HA       ASN  79   9.868   1.757   2.910
  586    HB2  ASN  79           HB2      ASN  79   8.093   1.748   5.331
  587    HB3  ASN  79           HB1      ASN  79   9.516   2.749   5.154
  588   HD21  ASN  79          HD21      ASN  79   7.178   3.759   5.662
  589   HD22  ASN  79          HD22      ASN  79   6.475   4.647   4.347
  590    H    GLY  80           HN       GLY  80   8.808  -0.942   4.876
  591    HA2  GLY  80           HA2      GLY  80  11.063  -1.199   6.485
  592    HA3  GLY  80           HA1      GLY  80   9.983  -2.505   6.009
  593    H    ALA  81           HN       ALA  81  10.341  -2.420   3.267
  594    HA   ALA  81           HA       ALA  81  12.792  -3.840   3.012
  595    HB1  ALA  81           HB1      ALA  81  10.786  -4.478   1.755
  596    HB2  ALA  81           HB2      ALA  81  12.139  -4.136   0.676
  597    HB3  ALA  81           HB3      ALA  81  10.849  -2.950   0.878
  598    H    LEU  82           HN       LEU  82  11.655  -0.643   2.105
  599    HA   LEU  82           HA       LEU  82  13.819   0.254   0.567
  600    HB2  LEU  82           HB2      LEU  82  12.057   1.780   2.481
  601    HB3  LEU  82           HB1      LEU  82  13.215   2.551   1.424
  602    HG   LEU  82           HG       LEU  82  10.819   0.952   0.524
  603   HD11  LEU  82          HD11      LEU  82   9.933   3.127  -0.158
  604   HD12  LEU  82          HD12      LEU  82  11.348   3.922   0.531
  605   HD13  LEU  82          HD13      LEU  82  10.214   3.077   1.583
  606   HD21  LEU  82          HD21      LEU  82  11.368   1.831  -1.687
  607   HD22  LEU  82          HD22      LEU  82  12.680   0.843  -1.052
  608   HD23  LEU  82          HD23      LEU  82  12.810   2.603  -1.031
  609    H    ALA  83           HN       ALA  83  13.352   0.288   4.058
  610    HA   ALA  83           HA       ALA  83  15.990   1.396   4.504
  611    HB1  ALA  83           HB1      ALA  83  14.103   2.113   5.894
  612    HB2  ALA  83           HB2      ALA  83  15.370   1.365   6.864
  613    HB3  ALA  83           HB3      ALA  83  13.905   0.462   6.477
  614    H    GLU  84           HN       GLU  84  14.877  -1.591   3.801
  615    HA   GLU  84           HA       GLU  84  16.615  -3.064   5.639
  616    HB2  GLU  84           HB2      GLU  84  14.244  -3.805   4.987
  617    HB3  GLU  84           HB1      GLU  84  14.922  -4.203   3.419
  618    HG2  GLU  84           HG2      GLU  84  14.771  -6.179   4.769
  619    HG3  GLU  84           HG1      GLU  84  16.468  -5.764   4.520
  620    H    ALA  85           HN       ALA  85  15.986  -2.828   2.155
  621    HA   ALA  85           HA       ALA  85  18.310  -4.226   1.381
  622    HB1  ALA  85           HB1      ALA  85  17.737  -3.496  -0.878
  623    HB2  ALA  85           HB2      ALA  85  16.573  -2.347  -0.219
  624    HB3  ALA  85           HB3      ALA  85  16.309  -4.079  -0.022
  625    H    ALA  86           HN       ALA  86  17.498  -0.782   1.476
  626    HA   ALA  86           HA       ALA  86  20.236  -0.120   0.781
  627    HB1  ALA  86           HB1      ALA  86  17.814   1.656   1.111
  628    HB2  ALA  86           HB2      ALA  86  18.454   1.052  -0.420
  629    HB3  ALA  86           HB3      ALA  86  19.404   2.173   0.553
  630   H282  PNS  87          H28A      PNS  87  -8.526 -11.005  -3.635
  631   H281  PNS  87          H28B      PNS  87  -8.074 -12.507  -4.444
  632   H303  PNS  87          H30A      PNS  87 -10.263 -12.538  -5.486
  633   H302  PNS  87          H30B      PNS  87 -10.747 -11.076  -4.625
  634   H301  PNS  87          H30C      PNS  87 -11.741 -12.531  -4.527
  635   H313  PNS  87          H31A      PNS  87 -10.916 -14.534  -3.223
  636   H312  PNS  87          H31B      PNS  87  -9.302 -14.482  -2.515
  637   H311  PNS  87          H31C      PNS  87  -9.491 -14.529  -4.267
  638    H32  PNS  87          H32A      PNS  87 -10.806 -11.004  -2.138
  639    H33  PNS  87          H33A      PNS  87  -8.834 -12.358  -1.356
  640    H36  PNS  87          H36A      PNS  87 -12.889 -11.861  -3.120
  641   H372  PNS  87          H37A      PNS  87 -14.122 -14.220  -2.266
  642   H371  PNS  87          H37B      PNS  87 -14.660 -12.896  -1.217
  643   H382  PNS  87          H38A      PNS  87 -14.845 -12.866  -4.262
  644   H381  PNS  87          H38B      PNS  87 -16.035 -13.587  -3.250
  645    H41  PNS  87          H41A      PNS  87 -17.057 -11.869  -4.723
  646   H422  PNS  87          H42A      PNS  87 -18.290  -9.962  -3.081
  647   H421  PNS  87          H42B      PNS  87 -17.183  -9.157  -4.209
  648   H431  PNS  87          H43A      PNS  87 -18.323 -10.168  -6.063
  649   H432  PNS  87          H43B      PNS  87 -19.538  -9.371  -5.047
  650    H44  PNS  87           H1       PNS  87 -20.538 -11.779  -6.058
  Start of MODEL   17
    1    H1   MET   1           HT1      MET   1  18.234   6.116   6.013
    2    H2   MET   1           HT2      MET   1  19.144   7.490   5.697
    3    H3   MET   1           HT3      MET   1  19.916   6.067   6.146
    4    HA   MET   1           HA       MET   1  20.182   6.520   3.825
    5    HB2  MET   1           HB2      MET   1  20.351   4.230   4.477
    6    HB3  MET   1           HB1      MET   1  18.603   4.059   4.577
    7    HG2  MET   1           HG2      MET   1  18.555   4.513   2.089
    8    HG3  MET   1           HG1      MET   1  20.307   4.320   2.118
    9    HE1  MET   1           HE1      MET   1  18.780   1.045   0.470
   10    HE2  MET   1           HE2      MET   1  19.753   2.488   0.180
   11    HE3  MET   1           HE3      MET   1  18.016   2.633   0.438
   12    H    ALA   2           HN       ALA   2  16.881   5.123   3.953
   13    HA   ALA   2           HA       ALA   2  16.334   6.777   1.618
   14    HB1  ALA   2           HB1      ALA   2  14.656   5.114   1.051
   15    HB2  ALA   2           HB2      ALA   2  15.010   4.231   2.535
   16    HB3  ALA   2           HB3      ALA   2  16.235   4.362   1.275
   17    H    THR   3           HN       THR   3  14.422   7.806   1.413
   18    HA   THR   3           HA       THR   3  13.310   8.733   3.859
   19    HB   THR   3           HB       THR   3  13.684  10.346   2.114
   20    HG1  THR   3           HG1      THR   3  10.927  10.296   1.907
   21   HG21  THR   3          HG21      THR   3  12.465  10.346  -0.039
   22   HG22  THR   3          HG22      THR   3  11.792   8.762   0.350
   23   HG23  THR   3          HG23      THR   3  13.531   8.950   0.113
   24    H    LEU   4           HN       LEU   4  11.965   7.484   4.891
   25    HA   LEU   4           HA       LEU   4  10.426   5.461   3.635
   26    HB2  LEU   4           HB2      LEU   4  10.130   6.642   6.403
   27    HB3  LEU   4           HB1      LEU   4   9.416   5.149   5.834
   28    HG   LEU   4           HG       LEU   4  12.367   5.659   6.208
   29   HD11  LEU   4          HD11      LEU   4  11.178   5.455   8.309
   30   HD12  LEU   4          HD12      LEU   4  12.181   4.033   8.019
   31   HD13  LEU   4          HD13      LEU   4  10.440   3.950   7.764
   32   HD21  LEU   4          HD21      LEU   4  11.952   4.125   4.352
   33   HD22  LEU   4          HD22      LEU   4  10.915   3.142   5.385
   34   HD23  LEU   4          HD23      LEU   4  12.637   3.271   5.733
   35    H    LEU   5           HN       LEU   5   8.574   5.689   2.683
   36    HA   LEU   5           HA       LEU   5   7.373   8.186   2.277
   37    HB2  LEU   5           HB2      LEU   5   5.765   7.108   0.970
   38    HB3  LEU   5           HB1      LEU   5   7.228   6.195   0.735
   39    HG   LEU   5           HG       LEU   5   4.905   5.331   2.480
   40   HD11  LEU   5          HD11      LEU   5   4.298   5.295   0.155
   41   HD12  LEU   5          HD12      LEU   5   4.506   3.650   0.759
   42   HD13  LEU   5          HD13      LEU   5   5.759   4.388  -0.241
   43   HD21  LEU   5          HD21      LEU   5   7.378   3.822   1.644
   44   HD22  LEU   5          HD22      LEU   5   5.999   3.154   2.516
   45   HD23  LEU   5          HD23      LEU   5   7.009   4.387   3.282
   46    H    THR   6           HN       THR   6   5.602   9.120   3.158
   47    HA   THR   6           HA       THR   6   4.718   7.981   5.631
   48    HB   THR   6           HB       THR   6   3.406  10.178   5.782
   49    HG1  THR   6           HG1      THR   6   3.462  11.447   4.059
   50   HG21  THR   6          HG21      THR   6   5.419  11.468   6.378
   51   HG22  THR   6          HG22      THR   6   6.418  10.297   5.514
   52   HG23  THR   6          HG23      THR   6   5.525   9.806   6.953
   53    H    THR   7           HN       THR   7   2.091   8.797   5.795
   54    HA   THR   7           HA       THR   7   0.876   6.709   4.378
   55    HB   THR   7           HB       THR   7  -0.511   8.922   5.903
   56    HG1  THR   7           HG1      THR   7  -0.177   7.267   7.656
   57   HG21  THR   7          HG21      THR   7  -1.934   7.275   4.687
   58   HG22  THR   7          HG22      THR   7  -2.097   7.136   6.440
   59   HG23  THR   7          HG23      THR   7  -1.116   5.973   5.556
   60    H    ASP   8           HN       ASP   8   1.577   9.877   3.577
   61    HA   ASP   8           HA       ASP   8  -0.532  10.674   1.886
   62    HB2  ASP   8           HB2      ASP   8   2.416  11.309   1.674
   63    HB3  ASP   8           HB1      ASP   8   1.129  12.166   0.827
   64    H    ASP   9           HN       ASP   9   2.524   9.030   1.189
   65    HA   ASP   9           HA       ASP   9   1.964   8.688  -1.577
   66    HB2  ASP   9           HB2      ASP   9   3.939   7.279   0.195
   67    HB3  ASP   9           HB1      ASP   9   3.824   6.991  -1.533
   68    H    LEU  10           HN       LEU  10   1.541   6.703   1.258
   69    HA   LEU  10           HA       LEU  10   0.730   4.332  -0.017
   70    HB2  LEU  10           HB2      LEU  10   1.264   4.573   2.405
   71    HB3  LEU  10           HB1      LEU  10  -0.232   5.455   2.622
   72    HG   LEU  10           HG       LEU  10  -1.463   3.400   1.879
   73   HD11  LEU  10          HD11      LEU  10   1.254   2.130   2.115
   74   HD12  LEU  10          HD12      LEU  10   0.305   2.319   0.639
   75   HD13  LEU  10          HD13      LEU  10  -0.275   1.269   1.933
   76   HD21  LEU  10          HD21      LEU  10   0.315   3.140   4.301
   77   HD22  LEU  10          HD22      LEU  10  -1.170   2.236   4.009
   78   HD23  LEU  10          HD23      LEU  10  -1.231   3.985   4.234
   79    H    ARG  11           HN       ARG  11  -1.105   7.088   1.190
   80    HA   ARG  11           HA       ARG  11  -3.696   6.448   0.504
   81    HB2  ARG  11           HB2      ARG  11  -3.110   8.353   1.872
   82    HB3  ARG  11           HB1      ARG  11  -2.247   9.091   0.542
   83    HG2  ARG  11           HG2      ARG  11  -4.416   9.318  -0.651
   84    HG3  ARG  11           HG1      ARG  11  -5.219   8.725   0.808
   85    HD2  ARG  11           HD2      ARG  11  -4.324  10.556   2.102
   86    HD3  ARG  11           HD1      ARG  11  -3.390  11.117   0.717
   87    HE   ARG  11           HE       ARG  11  -6.264  10.963   0.389
   88   HH11  ARG  11          HH11      ARG  11  -3.519  13.078   1.241
   89   HH12  ARG  11          HH12      ARG  11  -4.317  14.490   0.685
   90   HH21  ARG  11          HH21      ARG  11  -7.329  12.968  -0.270
   91   HH22  ARG  11          HH22      ARG  11  -6.445  14.430  -0.149
   92    H    ARG  12           HN       ARG  12  -1.464   8.503  -1.390
   93    HA   ARG  12           HA       ARG  12  -3.153   8.727  -3.611
   94    HB2  ARG  12           HB2      ARG  12  -1.246   9.596  -4.859
   95    HB3  ARG  12           HB1      ARG  12  -1.350  10.319  -3.258
   96    HG2  ARG  12           HG2      ARG  12   0.434   8.927  -2.466
   97    HG3  ARG  12           HG1      ARG  12   0.426   8.049  -4.001
   98    HD2  ARG  12           HD2      ARG  12   1.038  10.987  -3.715
   99    HD3  ARG  12           HD1      ARG  12   2.270   9.727  -3.775
  100    HE   ARG  12           HE       ARG  12   1.008   9.195  -6.006
  101   HH11  ARG  12          HH11      ARG  12   1.796  12.415  -4.720
  102   HH12  ARG  12          HH12      ARG  12   2.041  13.127  -6.240
  103   HH21  ARG  12          HH21      ARG  12   1.374  10.155  -8.119
  104   HH22  ARG  12          HH22      ARG  12   1.763  11.805  -8.237
  105    H    ALA  13           HN       ALA  13  -0.720   6.332  -2.882
  106    HA   ALA  13           HA       ALA  13  -0.665   5.236  -5.478
  107    HB1  ALA  13           HB1      ALA  13   1.172   4.934  -3.902
  108    HB2  ALA  13           HB2      ALA  13   0.571   3.386  -4.487
  109    HB3  ALA  13           HB3      ALA  13   0.135   3.949  -2.871
  110    H    LEU  14           HN       LEU  14  -2.427   4.473  -2.552
  111    HA   LEU  14           HA       LEU  14  -3.598   2.134  -3.629
  112    HB2  LEU  14           HB2      LEU  14  -3.220   2.416  -1.339
  113    HB3  LEU  14           HB1      LEU  14  -4.311   3.793  -1.217
  114    HG   LEU  14           HG       LEU  14  -6.180   2.219  -1.836
  115   HD11  LEU  14          HD11      LEU  14  -5.785  -0.181  -1.617
  116   HD12  LEU  14          HD12      LEU  14  -4.058   0.117  -1.421
  117   HD13  LEU  14          HD13      LEU  14  -4.853   0.505  -2.946
  118   HD21  LEU  14          HD21      LEU  14  -6.293   1.179   0.382
  119   HD22  LEU  14          HD22      LEU  14  -5.780   2.862   0.457
  120   HD23  LEU  14          HD23      LEU  14  -4.589   1.576   0.641
  121    H    VAL  15           HN       VAL  15  -4.651   5.495  -3.292
  122    HA   VAL  15           HA       VAL  15  -7.222   5.091  -4.397
  123    HB   VAL  15           HB       VAL  15  -5.481   7.596  -4.526
  124   HG11  VAL  15          HG11      VAL  15  -7.577   8.821  -4.932
  125   HG12  VAL  15          HG12      VAL  15  -8.453   7.289  -4.993
  126   HG13  VAL  15          HG13      VAL  15  -7.243   7.664  -6.221
  127   HG21  VAL  15          HG21      VAL  15  -5.970   6.900  -2.237
  128   HG22  VAL  15          HG22      VAL  15  -7.690   6.830  -2.616
  129   HG23  VAL  15          HG23      VAL  15  -6.844   8.379  -2.642
  130    H    GLU  16           HN       GLU  16  -4.095   5.875  -5.864
  131    HA   GLU  16           HA       GLU  16  -4.908   6.093  -8.530
  132    HB2  GLU  16           HB2      GLU  16  -2.732   6.836  -7.602
  133    HB3  GLU  16           HB1      GLU  16  -2.242   5.158  -7.477
  134    HG2  GLU  16           HG2      GLU  16  -2.348   4.929  -9.888
  135    HG3  GLU  16           HG1      GLU  16  -2.894   6.605 -10.030
  136    H    SER  17           HN       SER  17  -4.605   3.280  -6.572
  137    HA   SER  17           HA       SER  17  -4.161   1.490  -8.764
  138    HB2  SER  17           HB2      SER  17  -5.109   0.845  -5.952
  139    HB3  SER  17           HB1      SER  17  -4.529  -0.313  -7.145
  140    HG   SER  17           HG       SER  17  -3.025   1.865  -6.101
  141    H    ALA  18           HN       ALA  18  -6.758   3.256  -7.824
  142    HA   ALA  18           HA       ALA  18  -8.560   1.557  -9.407
  143    HB1  ALA  18           HB1      ALA  18  -9.312   3.450  -7.165
  144    HB2  ALA  18           HB2      ALA  18  -9.325   1.690  -7.071
  145    HB3  ALA  18           HB3      ALA  18 -10.444   2.523  -8.152
  146    H    GLY  19           HN       GLY  19  -7.394   4.762  -8.580
  147    HA2  GLY  19           HA2      GLY  19  -7.008   6.529 -10.017
  148    HA3  GLY  19           HA1      GLY  19  -7.990   5.735 -11.247
  149    H    GLU  20           HN       GLU  20 -10.190   5.695 -10.993
  150    HA   GLU  20           HA       GLU  20 -11.308   7.837  -9.338
  151    HB2  GLU  20           HB2      GLU  20 -13.203   7.823 -10.924
  152    HB3  GLU  20           HB1      GLU  20 -11.688   8.188 -11.731
  153    HG2  GLU  20           HG2      GLU  20 -11.563   5.901 -12.555
  154    HG3  GLU  20           HG1      GLU  20 -13.070   5.516 -11.721
  155    H    THR  21           HN       THR  21 -13.633   7.251  -8.666
  156    HA   THR  21           HA       THR  21 -14.791   6.116  -7.171
  157    HB   THR  21           HB       THR  21 -15.452   3.785  -7.737
  158    HG1  THR  21           HG1      THR  21 -13.318   3.915  -9.333
  159   HG21  THR  21          HG21      THR  21 -15.724   5.819  -9.955
  160   HG22  THR  21          HG22      THR  21 -16.772   5.650  -8.549
  161   HG23  THR  21          HG23      THR  21 -16.733   4.385  -9.779
  162    H    ASP  22           HN       ASP  22 -12.858   6.522  -5.958
  163    HA   ASP  22           HA       ASP  22 -11.144   4.357  -5.223
  164    HB2  ASP  22           HB2      ASP  22 -10.174   5.820  -3.520
  165    HB3  ASP  22           HB1      ASP  22 -10.351   6.687  -5.033
  166    H    GLY  23           HN       GLY  23 -10.920   4.398  -2.497
  167    HA2  GLY  23           HA2      GLY  23 -12.902   2.479  -1.813
  168    HA3  GLY  23           HA1      GLY  23 -11.627   3.071  -0.768
  169    H    THR  24           HN       THR  24 -12.455   3.818   1.056
  170    HA   THR  24           HA       THR  24 -14.626   5.681   1.028
  171    HB   THR  24           HB       THR  24 -15.868   3.614   1.011
  172    HG1  THR  24           HG1      THR  24 -15.972   4.257   3.746
  173   HG21  THR  24          HG21      THR  24 -14.170   2.038   1.769
  174   HG22  THR  24          HG22      THR  24 -15.623   1.864   2.758
  175   HG23  THR  24          HG23      THR  24 -14.221   2.732   3.387
  176    H    ASP  25           HN       ASP  25 -13.763   7.223   2.162
  177    HA   ASP  25           HA       ASP  25 -12.640   8.454   3.672
  178    HB2  ASP  25           HB2      ASP  25 -13.099   6.074   5.508
  179    HB3  ASP  25           HB1      ASP  25 -12.454   7.623   6.039
  180    H    LEU  26           HN       LEU  26 -11.274   7.014   1.834
  181    HA   LEU  26           HA       LEU  26  -9.078   5.558   3.014
  182    HB2  LEU  26           HB2      LEU  26 -10.332   5.132   0.805
  183    HB3  LEU  26           HB1      LEU  26  -9.348   6.423   0.152
  184    HG   LEU  26           HG       LEU  26  -7.325   5.113   0.788
  185   HD11  LEU  26          HD11      LEU  26  -8.308   3.784   2.552
  186   HD12  LEU  26          HD12      LEU  26  -7.651   2.723   1.300
  187   HD13  LEU  26          HD13      LEU  26  -9.390   3.011   1.397
  188   HD21  LEU  26          HD21      LEU  26  -9.279   3.734  -1.064
  189   HD22  LEU  26          HD22      LEU  26  -7.525   3.517  -1.053
  190   HD23  LEU  26          HD23      LEU  26  -8.217   5.075  -1.497
  191    H    SER  27           HN       SER  27  -9.302   8.347   3.734
  192    HA   SER  27           HA       SER  27  -6.621   9.195   3.114
  193    HB2  SER  27           HB2      SER  27  -9.039  10.941   2.615
  194    HB3  SER  27           HB1      SER  27  -7.362  11.499   2.565
  195    HG   SER  27           HG       SER  27  -7.854   9.267   1.066
  196    H    GLY  28           HN       GLY  28  -5.811   9.319   5.114
  197    HA2  GLY  28           HA2      GLY  28  -5.898  10.776   7.124
  198    HA3  GLY  28           HA1      GLY  28  -7.570  10.233   7.273
  199    H    ASP  29           HN       ASP  29  -7.624   8.885   8.942
  200    HA   ASP  29           HA       ASP  29  -5.462   6.965   9.219
  201    HB2  ASP  29           HB2      ASP  29  -6.383   6.319  11.395
  202    HB3  ASP  29           HB1      ASP  29  -6.206   8.059  11.317
  203    H    PHE  30           HN       PHE  30  -5.582   5.496   7.785
  204    HA   PHE  30           HA       PHE  30  -7.982   3.835   7.763
  205    HB2  PHE  30           HB2      PHE  30  -7.877   3.598   5.305
  206    HB3  PHE  30           HB1      PHE  30  -8.173   5.257   5.792
  207    HD1  PHE  30           HD1      PHE  30  -6.436   6.967   5.456
  208    HD2  PHE  30           HD2      PHE  30  -5.874   2.961   4.143
  209    HE1  PHE  30           HE1      PHE  30  -4.587   7.702   4.015
  210    HE2  PHE  30           HE2      PHE  30  -4.017   3.688   2.704
  211    HZ   PHE  30           HZ       PHE  30  -3.373   6.061   2.637
  212    H    LEU  31           HN       LEU  31  -5.108   3.710   8.831
  213    HA   LEU  31           HA       LEU  31  -3.814   1.726   7.272
  214    HB2  LEU  31           HB2      LEU  31  -3.244   3.107   9.798
  215    HB3  LEU  31           HB1      LEU  31  -2.593   1.488   9.681
  216    HG   LEU  31           HG       LEU  31  -1.251   2.066   7.785
  217   HD11  LEU  31          HD11      LEU  31  -1.264   4.246   6.766
  218   HD12  LEU  31          HD12      LEU  31  -2.620   4.747   7.789
  219   HD13  LEU  31          HD13      LEU  31  -2.826   3.452   6.598
  220   HD21  LEU  31          HD21      LEU  31  -1.165   4.271   9.818
  221   HD22  LEU  31          HD22      LEU  31   0.115   3.885   8.671
  222   HD23  LEU  31          HD23      LEU  31  -0.332   2.717   9.925
  223    H    ASP  32           HN       ASP  32  -6.151   1.534   9.813
  224    HA   ASP  32           HA       ASP  32  -5.674  -1.356   9.956
  225    HB2  ASP  32           HB2      ASP  32  -5.814  -0.143  12.106
  226    HB3  ASP  32           HB1      ASP  32  -7.446   0.371  11.699
  227    H    LEU  33           HN       LEU  33  -7.400   0.663   8.108
  228    HA   LEU  33           HA       LEU  33  -9.879  -0.787   8.060
  229    HB2  LEU  33           HB2      LEU  33  -8.764   1.440   6.361
  230    HB3  LEU  33           HB1      LEU  33 -10.199   0.578   5.863
  231    HG   LEU  33           HG       LEU  33 -11.353   1.330   7.923
  232   HD11  LEU  33          HD11      LEU  33 -10.416   3.100   9.302
  233   HD12  LEU  33          HD12      LEU  33  -8.885   2.972   8.439
  234   HD13  LEU  33          HD13      LEU  33  -9.461   1.621   9.417
  235   HD21  LEU  33          HD21      LEU  33 -11.605   2.585   5.875
  236   HD22  LEU  33          HD22      LEU  33 -10.166   3.535   6.254
  237   HD23  LEU  33          HD23      LEU  33 -11.605   3.671   7.264
  238    H    ARG  34           HN       ARG  34  -9.671  -2.792   7.533
  239    HA   ARG  34           HA       ARG  34  -7.806  -4.099   5.963
  240    HB2  ARG  34           HB2      ARG  34 -10.704  -4.795   6.366
  241    HB3  ARG  34           HB1      ARG  34  -9.513  -5.873   5.665
  242    HG2  ARG  34           HG2      ARG  34  -8.346  -6.046   7.717
  243    HG3  ARG  34           HG1      ARG  34  -9.280  -4.720   8.430
  244    HD2  ARG  34           HD2      ARG  34 -10.402  -7.370   7.523
  245    HD3  ARG  34           HD1      ARG  34 -10.086  -6.909   9.200
  246    HE   ARG  34           HE       ARG  34 -11.616  -4.939   8.501
  247   HH11  ARG  34          HH11      ARG  34 -12.097  -8.408   7.771
  248   HH12  ARG  34          HH12      ARG  34 -13.792  -8.302   7.734
  249   HH21  ARG  34          HH21      ARG  34 -13.990  -4.842   8.455
  250   HH22  ARG  34          HH22      ARG  34 -14.896  -6.239   8.147
  251    H    PHE  35           HN       PHE  35  -7.551  -4.554   3.855
  252    HA   PHE  35           HA       PHE  35  -8.816  -2.957   1.899
  253    HB2  PHE  35           HB2      PHE  35  -7.225  -5.500   1.582
  254    HB3  PHE  35           HB1      PHE  35  -7.719  -4.456   0.253
  255    HD1  PHE  35           HD2      PHE  35  -7.048  -1.922   0.613
  256    HD2  PHE  35           HD1      PHE  35  -5.128  -5.244   2.418
  257    HE1  PHE  35           HE2      PHE  35  -5.044  -0.560   0.966
  258    HE2  PHE  35           HE1      PHE  35  -3.118  -3.880   2.782
  259    HZ   PHE  35           HZ       PHE  35  -3.007  -1.607   1.893
  260    H    GLU  36           HN       GLU  36  -9.410  -6.092   3.176
  261    HA   GLU  36           HA       GLU  36 -11.272  -7.095   1.344
  262    HB2  GLU  36           HB2      GLU  36 -11.246  -7.554   4.326
  263    HB3  GLU  36           HB1      GLU  36 -11.909  -8.612   3.095
  264    HG2  GLU  36           HG2      GLU  36  -9.584  -8.901   2.206
  265    HG3  GLU  36           HG1      GLU  36  -9.033  -7.979   3.612
  266    H    ASP  37           HN       ASP  37 -11.506  -4.649   3.787
  267    HA   ASP  37           HA       ASP  37 -14.406  -4.745   3.888
  268    HB2  ASP  37           HB2      ASP  37 -13.223  -4.325   5.985
  269    HB3  ASP  37           HB1      ASP  37 -12.445  -2.910   5.281
  270    H    ILE  38           HN       ILE  38 -11.814  -2.757   2.608
  271    HA   ILE  38           HA       ILE  38 -13.712  -0.788   1.689
  272    HB   ILE  38           HB       ILE  38 -11.799   0.459   0.761
  273   HG12  ILE  38          HG12      ILE  38 -10.120  -1.803   1.890
  274   HG13  ILE  38          HG11      ILE  38 -10.382  -1.485   0.181
  275   HG21  ILE  38          HG21      ILE  38 -11.442  -0.427   3.626
  276   HG22  ILE  38          HG22      ILE  38 -12.487   0.872   3.054
  277   HG23  ILE  38          HG23      ILE  38 -10.734   1.020   2.909
  278   HD11  ILE  38          HD11      ILE  38  -8.966   0.321   2.127
  279   HD12  ILE  38          HD12      ILE  38  -9.222   0.654   0.414
  280   HD13  ILE  38          HD13      ILE  38  -8.205  -0.700   0.908
  281    H    GLY  39           HN       GLY  39 -13.058  -3.684   0.551
  282    HA2  GLY  39           HA2      GLY  39 -13.888  -4.602  -1.409
  283    HA3  GLY  39           HA1      GLY  39 -14.130  -2.980  -2.028
  284    H    TYR  40           HN       TYR  40 -10.989  -3.936  -0.826
  285    HA   TYR  40           HA       TYR  40 -10.046  -3.761  -3.567
  286    HB2  TYR  40           HB2      TYR  40  -8.960  -2.889  -1.019
  287    HB3  TYR  40           HB1      TYR  40  -7.839  -3.899  -1.945
  288    HD1  TYR  40           HD1      TYR  40  -9.816  -0.779  -2.049
  289    HD2  TYR  40           HD2      TYR  40  -6.826  -3.163  -3.895
  290    HE1  TYR  40           HE1      TYR  40  -9.245   1.093  -3.539
  291    HE2  TYR  40           HE2      TYR  40  -6.231  -1.327  -5.368
  292    HH   TYR  40           HH       TYR  40  -7.050   1.771  -4.883
  293    H    ASP  41           HN       ASP  41  -9.061  -5.354  -4.550
  294    HA   ASP  41           HA       ASP  41  -9.079  -7.962  -3.267
  295    HB2  ASP  41           HB2      ASP  41  -8.388  -7.131  -6.111
  296    HB3  ASP  41           HB1      ASP  41  -8.439  -8.788  -5.531
  297    H    SER  42           HN       SER  42  -7.163  -9.148  -2.903
  298    HA   SER  42           HA       SER  42  -4.876  -7.691  -2.275
  299    HB2  SER  42           HB2      SER  42  -5.068 -10.666  -2.769
  300    HB3  SER  42           HB1      SER  42  -3.881  -9.830  -1.752
  301    H    LEU  43           HN       LEU  43  -5.921  -9.014  -5.218
  302    HA   LEU  43           HA       LEU  43  -3.419  -9.228  -6.547
  303    HB2  LEU  43           HB2      LEU  43  -5.645 -10.343  -7.107
  304    HB3  LEU  43           HB1      LEU  43  -6.162  -8.808  -7.754
  305    HG   LEU  43           HG       LEU  43  -3.809 -10.373  -8.837
  306   HD11  LEU  43          HD11      LEU  43  -5.335 -11.091 -10.597
  307   HD12  LEU  43          HD12      LEU  43  -6.669 -10.294  -9.761
  308   HD13  LEU  43          HD13      LEU  43  -5.855 -11.669  -9.013
  309   HD21  LEU  43          HD21      LEU  43  -4.129  -8.985 -10.829
  310   HD22  LEU  43          HD22      LEU  43  -3.815  -7.977  -9.416
  311   HD23  LEU  43          HD23      LEU  43  -5.457  -8.138 -10.037
  312    H    ALA  44           HN       ALA  44  -5.789  -6.673  -5.999
  313    HA   ALA  44           HA       ALA  44  -4.641  -4.796  -7.830
  314    HB1  ALA  44           HB1      ALA  44  -6.523  -4.344  -5.511
  315    HB2  ALA  44           HB2      ALA  44  -7.005  -4.678  -7.176
  316    HB3  ALA  44           HB3      ALA  44  -6.145  -3.188  -6.786
  317    H    LEU  45           HN       LEU  45  -4.232  -5.702  -4.539
  318    HA   LEU  45           HA       LEU  45  -2.881  -3.451  -3.553
  319    HB2  LEU  45           HB2      LEU  45  -2.542  -6.333  -2.764
  320    HB3  LEU  45           HB1      LEU  45  -2.019  -4.950  -1.821
  321    HG   LEU  45           HG       LEU  45  -4.850  -5.680  -2.496
  322   HD11  LEU  45          HD11      LEU  45  -3.789  -7.112  -0.804
  323   HD12  LEU  45          HD12      LEU  45  -5.054  -6.093  -0.118
  324   HD13  LEU  45          HD13      LEU  45  -3.359  -5.672   0.116
  325   HD21  LEU  45          HD21      LEU  45  -3.707  -3.397  -0.918
  326   HD22  LEU  45          HD22      LEU  45  -5.422  -3.803  -1.026
  327   HD23  LEU  45          HD23      LEU  45  -4.540  -3.279  -2.467
  328    H    MET  46           HN       MET  46  -1.909  -6.197  -5.358
  329    HA   MET  46           HA       MET  46   0.881  -5.974  -5.173
  330    HB2  MET  46           HB2      MET  46  -0.817  -7.007  -7.452
  331    HB3  MET  46           HB1      MET  46   0.912  -7.276  -7.272
  332    HG2  MET  46           HG2      MET  46   0.582  -8.621  -5.336
  333    HG3  MET  46           HG1      MET  46  -1.125  -8.185  -5.254
  334    HE1  MET  46           HE1      MET  46  -1.262 -11.998  -6.238
  335    HE2  MET  46           HE2      MET  46  -1.804 -10.769  -5.091
  336    HE3  MET  46           HE3      MET  46  -0.100 -11.222  -5.162
  337    H    GLU  47           HN       GLU  47  -1.529  -4.433  -7.239
  338    HA   GLU  47           HA       GLU  47   0.348  -3.157  -8.970
  339    HB2  GLU  47           HB2      GLU  47  -2.189  -3.633  -9.375
  340    HB3  GLU  47           HB1      GLU  47  -2.447  -2.180  -8.432
  341    HG2  GLU  47           HG2      GLU  47  -1.034  -0.928 -10.026
  342    HG3  GLU  47           HG1      GLU  47  -0.939  -2.379 -11.021
  343    H    THR  48           HN       THR  48  -1.375  -2.321  -6.018
  344    HA   THR  48           HA       THR  48  -0.704   0.370  -5.757
  345    HB   THR  48           HB       THR  48  -0.926  -1.666  -3.516
  346    HG1  THR  48           HG1      THR  48  -2.853  -0.442  -5.193
  347   HG21  THR  48          HG21      THR  48  -1.603   1.284  -3.659
  348   HG22  THR  48          HG22      THR  48  -0.206   0.596  -2.830
  349   HG23  THR  48          HG23      THR  48  -1.836   0.249  -2.254
  350    H    ALA  49           HN       ALA  49   0.945  -2.534  -4.470
  351    HA   ALA  49           HA       ALA  49   3.193  -1.161  -3.467
  352    HB1  ALA  49           HB1      ALA  49   2.967  -4.055  -4.294
  353    HB2  ALA  49           HB2      ALA  49   2.559  -3.402  -2.705
  354    HB3  ALA  49           HB3      ALA  49   4.227  -3.362  -3.273
  355    H    ALA  50           HN       ALA  50   2.528  -2.700  -6.583
  356    HA   ALA  50           HA       ALA  50   5.021  -2.635  -7.746
  357    HB1  ALA  50           HB1      ALA  50   2.394  -2.136  -9.134
  358    HB2  ALA  50           HB2      ALA  50   3.058  -3.720  -8.738
  359    HB3  ALA  50           HB3      ALA  50   3.895  -2.677  -9.887
  360    H    ARG  51           HN       ARG  51   2.633  -0.040  -7.628
  361    HA   ARG  51           HA       ARG  51   4.242   1.651  -9.256
  362    HB2  ARG  51           HB2      ARG  51   2.639   3.373  -8.892
  363    HB3  ARG  51           HB1      ARG  51   1.742   1.870  -8.996
  364    HG2  ARG  51           HG2      ARG  51   1.693   1.846  -6.494
  365    HG3  ARG  51           HG1      ARG  51   2.371   3.475  -6.542
  366    HD2  ARG  51           HD2      ARG  51   0.068   3.763  -6.349
  367    HD3  ARG  51           HD1      ARG  51   0.419   4.075  -8.053
  368    HE   ARG  51           HE       ARG  51  -0.842   1.703  -6.906
  369   HH11  ARG  51          HH11      ARG  51  -0.288   3.820  -9.705
  370   HH12  ARG  51          HH12      ARG  51  -1.194   2.857 -10.784
  371   HH21  ARG  51          HH21      ARG  51  -2.148   0.467  -8.369
  372   HH22  ARG  51          HH22      ARG  51  -2.312   0.875  -9.999
  373    H    LEU  52           HN       LEU  52   4.107   0.974  -5.867
  374    HA   LEU  52           HA       LEU  52   5.638   3.261  -5.029
  375    HB2  LEU  52           HB2      LEU  52   4.910   0.691  -3.625
  376    HB3  LEU  52           HB1      LEU  52   5.841   1.974  -2.876
  377    HG   LEU  52           HG       LEU  52   3.021   2.297  -3.921
  378   HD11  LEU  52          HD11      LEU  52   3.075   0.786  -2.012
  379   HD12  LEU  52          HD12      LEU  52   2.362   2.337  -1.568
  380   HD13  LEU  52          HD13      LEU  52   4.023   1.962  -1.101
  381   HD21  LEU  52          HD21      LEU  52   4.758   4.104  -2.239
  382   HD22  LEU  52          HD22      LEU  52   3.079   4.409  -2.685
  383   HD23  LEU  52          HD23      LEU  52   4.331   4.366  -3.930
  384    H    GLU  53           HN       GLU  53   6.338   0.064  -6.140
  385    HA   GLU  53           HA       GLU  53   9.010  -0.177  -5.408
  386    HB2  GLU  53           HB2      GLU  53   7.649  -1.059  -7.955
  387    HB3  GLU  53           HB1      GLU  53   9.256  -1.564  -7.462
  388    HG2  GLU  53           HG2      GLU  53   8.303  -2.634  -5.484
  389    HG3  GLU  53           HG1      GLU  53   6.691  -2.129  -6.001
  390    H    SER  54           HN       SER  54   7.617   1.251  -8.340
  391    HA   SER  54           HA       SER  54  10.112   2.277  -9.244
  392    HB2  SER  54           HB2      SER  54   7.303   2.975 -10.112
  393    HB3  SER  54           HB1      SER  54   8.788   3.239 -11.027
  394    HG   SER  54           HG       SER  54   9.078   1.007 -11.146
  395    H    ARG  55           HN       ARG  55   7.607   3.396  -7.170
  396    HA   ARG  55           HA       ARG  55   8.008   6.209  -7.343
  397    HB2  ARG  55           HB2      ARG  55   5.924   5.234  -6.445
  398    HB3  ARG  55           HB1      ARG  55   6.821   4.509  -5.136
  399    HG2  ARG  55           HG2      ARG  55   5.575   6.359  -4.325
  400    HG3  ARG  55           HG1      ARG  55   7.279   6.775  -4.276
  401    HD2  ARG  55           HD2      ARG  55   7.039   8.167  -6.220
  402    HD3  ARG  55           HD1      ARG  55   5.372   7.626  -6.453
  403    HE   ARG  55           HE       ARG  55   5.533   8.698  -3.872
  404   HH11  ARG  55          HH11      ARG  55   5.886   9.969  -7.169
  405   HH12  ARG  55          HH12      ARG  55   5.244  11.488  -6.779
  406   HH21  ARG  55          HH21      ARG  55   4.751  10.683  -3.341
  407   HH22  ARG  55          HH22      ARG  55   4.657  11.963  -4.502
  408    H    TYR  56           HN       TYR  56   9.326   3.713  -5.138
  409    HA   TYR  56           HA       TYR  56  11.161   5.782  -4.159
  410    HB2  TYR  56           HB2      TYR  56   9.806   3.608  -2.618
  411    HB3  TYR  56           HB1      TYR  56  11.313   4.318  -2.033
  412    HD1  TYR  56           HD2      TYR  56   7.818   4.945  -2.833
  413    HD2  TYR  56           HD1      TYR  56  11.382   6.588  -1.223
  414    HE1  TYR  56           HE2      TYR  56   6.517   6.761  -1.853
  415    HE2  TYR  56           HE1      TYR  56  10.114   8.404  -0.220
  416    HH   TYR  56           HH       TYR  56   7.929   9.549  -0.380
  417    H    GLY  57           HN       GLY  57  11.283   3.281  -6.128
  418    HA2  GLY  57           HA2      GLY  57  13.126   2.243  -7.044
  419    HA3  GLY  57           HA1      GLY  57  14.135   3.138  -5.915
  420    H    VAL  58           HN       VAL  58  11.633   0.647  -5.706
  421    HA   VAL  58           HA       VAL  58  13.506  -1.088  -4.312
  422    HB   VAL  58           HB       VAL  58  12.194   0.270  -2.622
  423   HG11  VAL  58          HG11      VAL  58  10.113   0.531  -3.721
  424   HG12  VAL  58          HG12      VAL  58   9.854  -0.258  -2.167
  425   HG13  VAL  58          HG13      VAL  58   9.803  -1.205  -3.655
  426   HG21  VAL  58          HG21      VAL  58  11.623  -1.555  -1.117
  427   HG22  VAL  58          HG22      VAL  58  13.138  -1.900  -1.958
  428   HG23  VAL  58          HG23      VAL  58  11.640  -2.695  -2.455
  429    H    SER  59           HN       SER  59  12.345  -3.370  -4.102
  430    HA   SER  59           HA       SER  59  10.350  -3.774  -6.189
  431    HB2  SER  59           HB2      SER  59  12.889  -5.393  -5.811
  432    HB3  SER  59           HB1      SER  59  11.560  -5.833  -6.887
  433    HG   SER  59           HG       SER  59  11.881  -3.787  -7.891
  434    H    ILE  60           HN       ILE  60   8.719  -4.962  -5.485
  435    HA   ILE  60           HA       ILE  60   9.125  -6.740  -3.215
  436    HB   ILE  60           HB       ILE  60   6.972  -4.593  -3.338
  437   HG12  ILE  60          HG12      ILE  60   9.131  -5.193  -1.299
  438   HG13  ILE  60          HG11      ILE  60   9.122  -3.847  -2.428
  439   HG21  ILE  60          HG21      ILE  60   7.164  -6.899  -1.395
  440   HG22  ILE  60          HG22      ILE  60   5.927  -6.682  -2.628
  441   HG23  ILE  60          HG23      ILE  60   6.034  -5.551  -1.276
  442   HD11  ILE  60          HD11      ILE  60   7.168  -2.928  -1.294
  443   HD12  ILE  60          HD12      ILE  60   8.527  -3.145  -0.189
  444   HD13  ILE  60          HD13      ILE  60   7.182  -4.288  -0.175
  445    HA   PRO  61           HA       PRO  61   7.200  -9.472  -6.111
  446    HB2  PRO  61           HB2      PRO  61   6.764 -11.060  -3.636
  447    HB3  PRO  61           HB1      PRO  61   7.521 -11.537  -5.158
  448    HG2  PRO  61           HG2      PRO  61   9.006 -11.063  -3.008
  449    HG3  PRO  61           HG1      PRO  61   9.546 -10.543  -4.617
  450    HD2  PRO  61           HD2      PRO  61   8.353  -8.930  -2.403
  451    HD3  PRO  61           HD1      PRO  61   9.662  -8.507  -3.526
  452    H    ASP  62           HN       ASP  62   5.233 -10.023  -6.719
  453    HA   ASP  62           HA       ASP  62   2.961  -8.632  -5.900
  454    HB2  ASP  62           HB2      ASP  62   3.094 -11.248  -7.425
  455    HB3  ASP  62           HB1      ASP  62   1.668 -10.231  -7.295
  456    H    ASP  63           HN       ASP  63   3.971 -11.931  -5.232
  457    HA   ASP  63           HA       ASP  63   1.804 -12.865  -3.766
  458    HB2  ASP  63           HB2      ASP  63   3.460 -14.442  -4.348
  459    HB3  ASP  63           HB1      ASP  63   4.739 -13.508  -3.594
  460    H    VAL  64           HN       VAL  64   4.514 -10.998  -2.623
  461    HA   VAL  64           HA       VAL  64   3.959 -11.031   0.163
  462    HB   VAL  64           HB       VAL  64   5.312  -8.945  -1.535
  463   HG11  VAL  64          HG11      VAL  64   6.469  -8.282   0.573
  464   HG12  VAL  64          HG12      VAL  64   5.483  -9.449   1.455
  465   HG13  VAL  64          HG13      VAL  64   4.722  -8.060   0.677
  466   HG21  VAL  64          HG21      VAL  64   6.363 -11.107  -1.779
  467   HG22  VAL  64          HG22      VAL  64   6.469 -11.284  -0.025
  468   HG23  VAL  64          HG23      VAL  64   7.413 -10.040  -0.845
  469    H    ALA  65           HN       ALA  65   3.202  -8.655  -2.343
  470    HA   ALA  65           HA       ALA  65   1.748  -6.905  -0.675
  471    HB1  ALA  65           HB1      ALA  65   0.992  -5.863  -2.740
  472    HB2  ALA  65           HB2      ALA  65   1.568  -7.248  -3.666
  473    HB3  ALA  65           HB3      ALA  65   2.719  -6.216  -2.815
  474    H    GLY  66           HN       GLY  66   0.855  -9.762  -2.457
  475    HA2  GLY  66           HA2      GLY  66  -1.981  -9.304  -2.185
  476    HA3  GLY  66           HA1      GLY  66  -1.208 -10.731  -2.854
  477    H    ARG  67           HN       ARG  67  -0.264  -9.588   0.259
  478    HA   ARG  67           HA       ARG  67  -1.901 -11.690   1.556
  479    HB2  ARG  67           HB2      ARG  67   0.901 -10.901   2.309
  480    HB3  ARG  67           HB1      ARG  67  -0.097 -12.086   3.121
  481    HG2  ARG  67           HG2      ARG  67   0.018 -13.532   1.173
  482    HG3  ARG  67           HG1      ARG  67   0.984 -12.309   0.322
  483    HD2  ARG  67           HD2      ARG  67   2.600 -12.383   2.181
  484    HD3  ARG  67           HD1      ARG  67   1.683 -13.706   2.877
  485    HE   ARG  67           HE       ARG  67   2.511 -14.258   0.212
  486   HH11  ARG  67          HH11      ARG  67   3.587 -14.111   3.586
  487   HH12  ARG  67          HH12      ARG  67   4.896 -15.170   3.399
  488   HH21  ARG  67          HH21      ARG  67   4.360 -15.651  -0.086
  489   HH22  ARG  67          HH22      ARG  67   5.336 -16.098   1.265
  490    H    VAL  68           HN       VAL  68  -1.108  -8.405   1.436
  491    HA   VAL  68           HA       VAL  68  -1.120  -7.988   4.261
  492    HB   VAL  68           HB       VAL  68  -1.002  -5.533   3.725
  493   HG11  VAL  68          HG11      VAL  68   1.297  -5.658   2.884
  494   HG12  VAL  68          HG12      VAL  68   1.026  -7.342   2.435
  495   HG13  VAL  68          HG13      VAL  68   0.977  -6.863   4.132
  496   HG21  VAL  68          HG21      VAL  68  -2.103  -5.575   1.521
  497   HG22  VAL  68          HG22      VAL  68  -0.755  -6.536   0.893
  498   HG23  VAL  68          HG23      VAL  68  -0.477  -4.884   1.428
  499    H    ASP  69           HN       ASP  69  -2.645  -7.789   5.500
  500    HA   ASP  69           HA       ASP  69  -5.396  -7.894   4.795
  501    HB2  ASP  69           HB2      ASP  69  -4.113  -7.194   7.442
  502    HB3  ASP  69           HB1      ASP  69  -5.826  -7.467   7.206
  503    H    THR  70           HN       THR  70  -3.470  -5.309   6.304
  504    HA   THR  70           HA       THR  70  -5.548  -3.394   5.553
  505    HB   THR  70           HB       THR  70  -4.908  -2.176   7.642
  506    HG1  THR  70           HG1      THR  70  -3.588  -3.189   9.120
  507   HG21  THR  70          HG21      THR  70  -6.857  -3.672   7.662
  508   HG22  THR  70          HG22      THR  70  -6.025  -3.696   9.217
  509   HG23  THR  70          HG23      THR  70  -5.811  -5.028   8.083
  510    HA   PRO  71           HA       PRO  71  -2.458  -0.894   3.523
  511    HB2  PRO  71           HB2      PRO  71  -3.336   1.393   5.219
  512    HB3  PRO  71           HB1      PRO  71  -3.223   1.276   3.459
  513    HG2  PRO  71           HG2      PRO  71  -5.586   1.167   4.621
  514    HG3  PRO  71           HG1      PRO  71  -5.204   0.056   3.287
  515    HD2  PRO  71           HD2      PRO  71  -5.231  -0.468   6.236
  516    HD3  PRO  71           HD1      PRO  71  -5.863  -1.467   4.909
  517    H    ARG  72           HN       ARG  72  -2.616  -0.806   7.002
  518    HA   ARG  72           HA       ARG  72  -0.258   0.519   7.661
  519    HB2  ARG  72           HB2      ARG  72  -1.944  -0.276   9.291
  520    HB3  ARG  72           HB1      ARG  72  -1.432  -1.929   8.992
  521    HG2  ARG  72           HG2      ARG  72   0.904  -1.070   9.730
  522    HG3  ARG  72           HG1      ARG  72  -0.015   0.257  10.448
  523    HD2  ARG  72           HD2      ARG  72  -0.365  -2.685  10.997
  524    HD3  ARG  72           HD1      ARG  72   0.333  -1.490  12.083
  525    HE   ARG  72           HE       ARG  72  -1.834  -0.503  12.298
  526   HH11  ARG  72          HH11      ARG  72  -1.832  -3.724  10.719
  527   HH12  ARG  72          HH12      ARG  72  -3.430  -4.079  11.247
  528   HH21  ARG  72          HH21      ARG  72  -3.931  -0.998  12.909
  529   HH22  ARG  72          HH22      ARG  72  -4.722  -2.450  12.474
  530    H    GLU  73           HN       GLU  73  -0.958  -2.856   6.872
  531    HA   GLU  73           HA       GLU  73   1.608  -3.943   7.352
  532    HB2  GLU  73           HB2      GLU  73  -0.445  -5.074   5.460
  533    HB3  GLU  73           HB1      GLU  73   0.750  -5.944   6.400
  534    HG2  GLU  73           HG2      GLU  73  -1.722  -4.578   7.442
  535    HG3  GLU  73           HG1      GLU  73  -1.446  -6.309   7.305
  536    H    LEU  74           HN       LEU  74  -0.053  -2.690   4.545
  537    HA   LEU  74           HA       LEU  74   1.824  -3.464   2.546
  538    HB2  LEU  74           HB2      LEU  74  -0.672  -2.646   2.376
  539    HB3  LEU  74           HB1      LEU  74   0.022  -1.048   2.356
  540    HG   LEU  74           HG       LEU  74   0.446  -3.208   0.264
  541   HD11  LEU  74          HD11      LEU  74  -1.126  -0.669   0.165
  542   HD12  LEU  74          HD12      LEU  74  -1.761  -2.315   0.220
  543   HD13  LEU  74          HD13      LEU  74  -0.843  -1.770  -1.184
  544   HD21  LEU  74          HD21      LEU  74   2.436  -1.759   0.439
  545   HD22  LEU  74          HD22      LEU  74   1.408  -0.337   0.262
  546   HD23  LEU  74          HD23      LEU  74   1.563  -1.484  -1.069
  547    H    LEU  75           HN       LEU  75   1.304  -0.483   4.402
  548    HA   LEU  75           HA       LEU  75   3.375   1.092   3.341
  549    HB2  LEU  75           HB2      LEU  75   1.522   1.911   4.781
  550    HB3  LEU  75           HB1      LEU  75   2.225   1.068   6.141
  551    HG   LEU  75           HG       LEU  75   4.223   2.552   5.953
  552   HD11  LEU  75          HD11      LEU  75   2.508   4.027   3.965
  553   HD12  LEU  75          HD12      LEU  75   4.012   3.174   3.619
  554   HD13  LEU  75          HD13      LEU  75   4.027   4.606   4.649
  555   HD21  LEU  75          HD21      LEU  75   3.120   4.511   6.928
  556   HD22  LEU  75          HD22      LEU  75   2.460   3.005   7.567
  557   HD23  LEU  75          HD23      LEU  75   1.562   3.913   6.354
  558    H    ASP  76           HN       ASP  76   3.222  -1.160   6.010
  559    HA   ASP  76           HA       ASP  76   5.759  -0.890   7.131
  560    HB2  ASP  76           HB2      ASP  76   3.902  -2.092   8.185
  561    HB3  ASP  76           HB1      ASP  76   4.002  -3.342   6.958
  562    H    LEU  77           HN       LEU  77   4.659  -2.842   4.415
  563    HA   LEU  77           HA       LEU  77   6.955  -4.409   4.004
  564    HB2  LEU  77           HB2      LEU  77   5.063  -3.313   1.923
  565    HB3  LEU  77           HB1      LEU  77   6.206  -4.604   1.654
  566    HG   LEU  77           HG       LEU  77   3.789  -4.701   3.446
  567   HD11  LEU  77          HD11      LEU  77   2.966  -6.305   1.788
  568   HD12  LEU  77          HD12      LEU  77   4.407  -6.026   0.809
  569   HD13  LEU  77          HD13      LEU  77   3.256  -4.719   1.077
  570   HD21  LEU  77          HD21      LEU  77   5.618  -6.061   4.350
  571   HD22  LEU  77          HD22      LEU  77   5.809  -6.852   2.785
  572   HD23  LEU  77          HD23      LEU  77   4.326  -7.078   3.712
  573    H    ILE  78           HN       ILE  78   6.028  -1.302   2.600
  574    HA   ILE  78           HA       ILE  78   8.376  -0.981   1.033
  575    HB   ILE  78           HB       ILE  78   6.668   1.299   2.075
  576   HG12  ILE  78          HG12      ILE  78   5.183  -0.440   1.078
  577   HG13  ILE  78          HG11      ILE  78   5.194   1.047   0.147
  578   HG21  ILE  78          HG21      ILE  78   7.328   2.379  -0.036
  579   HG22  ILE  78          HG22      ILE  78   8.280   0.956  -0.462
  580   HG23  ILE  78          HG23      ILE  78   8.733   1.934   0.935
  581   HD11  ILE  78          HD11      ILE  78   6.716  -0.002  -1.471
  582   HD12  ILE  78          HD12      ILE  78   5.203  -0.891  -1.302
  583   HD13  ILE  78          HD13      ILE  78   6.669  -1.492  -0.526
  584    H    ASN  79           HN       ASN  79   7.342   0.304   4.187
  585    HA   ASN  79           HA       ASN  79   9.571   1.863   4.814
  586    HB2  ASN  79           HB2      ASN  79   7.749   0.312   6.668
  587    HB3  ASN  79           HB1      ASN  79   9.008   1.385   7.248
  588   HD21  ASN  79          HD21      ASN  79   8.557   3.399   5.166
  589   HD22  ASN  79          HD22      ASN  79   7.057   4.160   5.573
  590    H    GLY  80           HN       GLY  80   8.987  -1.551   5.621
  591    HA2  GLY  80           HA2      GLY  80  11.394  -2.010   6.961
  592    HA3  GLY  80           HA1      GLY  80  10.386  -3.235   6.211
  593    H    ALA  81           HN       ALA  81  10.542  -2.604   3.564
  594    HA   ALA  81           HA       ALA  81  12.985  -3.750   2.825
  595    HB1  ALA  81           HB1      ALA  81  10.943  -3.911   1.475
  596    HB2  ALA  81           HB2      ALA  81  12.316  -3.326   0.530
  597    HB3  ALA  81           HB3      ALA  81  11.081  -2.198   1.081
  598    H    LEU  82           HN       LEU  82  11.989  -0.376   2.920
  599    HA   LEU  82           HA       LEU  82  14.418   0.552   1.690
  600    HB2  LEU  82           HB2      LEU  82  12.266   2.065   3.162
  601    HB3  LEU  82           HB1      LEU  82  13.620   2.816   2.347
  602    HG   LEU  82           HG       LEU  82  11.417   1.221   1.031
  603   HD11  LEU  82          HD11      LEU  82  10.668   3.388   1.829
  604   HD12  LEU  82          HD12      LEU  82  10.758   3.371   0.068
  605   HD13  LEU  82          HD13      LEU  82  12.020   4.171   1.010
  606   HD21  LEU  82          HD21      LEU  82  13.744   2.714  -0.189
  607   HD22  LEU  82          HD22      LEU  82  12.426   1.959  -1.084
  608   HD23  LEU  82          HD23      LEU  82  13.546   0.961  -0.155
  609    H    ALA  83           HN       ALA  83  13.410  -0.152   4.911
  610    HA   ALA  83           HA       ALA  83  15.465   1.423   6.157
  611    HB1  ALA  83           HB1      ALA  83  13.719  -0.739   7.344
  612    HB2  ALA  83           HB2      ALA  83  13.348   0.984   7.321
  613    HB3  ALA  83           HB3      ALA  83  14.728   0.393   8.246
  614    H    GLU  84           HN       GLU  84  14.898  -2.029   5.580
  615    HA   GLU  84           HA       GLU  84  17.402  -2.836   6.706
  616    HB2  GLU  84           HB2      GLU  84  15.616  -4.357   4.809
  617    HB3  GLU  84           HB1      GLU  84  16.883  -5.031   5.818
  618    HG2  GLU  84           HG2      GLU  84  15.605  -4.376   7.813
  619    HG3  GLU  84           HG1      GLU  84  14.324  -3.771   6.762
  620    H    ALA  85           HN       ALA  85  16.284  -1.800   3.644
  621    HA   ALA  85           HA       ALA  85  17.178  -1.377   1.667
  622    HB1  ALA  85           HB1      ALA  85  19.891  -1.892   2.904
  623    HB2  ALA  85           HB2      ALA  85  19.071  -0.331   2.860
  624    HB3  ALA  85           HB3      ALA  85  19.584  -1.098   1.359
  625    H    ALA  86           HN       ALA  86  16.174  -3.037   0.757
  626    HA   ALA  86           HA       ALA  86  17.797  -5.430   0.329
  627    HB1  ALA  86           HB1      ALA  86  15.634  -5.857   1.387
  628    HB2  ALA  86           HB2      ALA  86  15.686  -6.544  -0.237
  629    HB3  ALA  86           HB3      ALA  86  14.816  -5.039   0.057
  630   H282  PNS  87          H28A      PNS  87  -7.325 -10.454  -3.046
  631   H281  PNS  87          H28B      PNS  87  -7.130 -12.204  -3.071
  632   H303  PNS  87          H30A      PNS  87  -9.681 -13.022  -1.840
  633   H302  PNS  87          H30B      PNS  87  -9.008 -13.668  -3.337
  634   H301  PNS  87          H30C      PNS  87 -10.662 -13.050  -3.305
  635   H313  PNS  87          H31A      PNS  87  -9.693  -9.498  -2.930
  636   H312  PNS  87          H31B      PNS  87 -10.107 -10.593  -1.615
  637   H311  PNS  87          H31C      PNS  87 -11.066 -10.592  -3.097
  638    H32  PNS  87          H32A      PNS  87  -8.827 -10.360  -5.090
  639    H33  PNS  87          H33A      PNS  87 -10.816 -10.620  -5.466
  640    H36  PNS  87          H36A      PNS  87  -9.879 -12.943  -6.429
  641   H372  PNS  87          H37A      PNS  87  -7.999 -13.676  -8.186
  642   H371  PNS  87          H37B      PNS  87  -7.469 -14.574  -6.760
  643   H382  PNS  87          H38A      PNS  87  -9.618 -15.725  -6.682
  644   H381  PNS  87          H38B      PNS  87 -10.185 -14.782  -8.044
  645    H41  PNS  87          H41A      PNS  87  -7.040 -15.341  -8.802
  646   H422  PNS  87          H42A      PNS  87  -6.160 -17.593  -9.444
  647   H421  PNS  87          H42B      PNS  87  -7.646 -17.719 -10.392
  648   H431  PNS  87          H43A      PNS  87  -5.538 -15.584 -10.683
  649   H432  PNS  87          H43B      PNS  87  -6.988 -15.743 -11.676
  650    H44  PNS  87           H1       PNS  87  -4.318 -17.875 -11.595
  Start of MODEL   18
    1    H1   MET   1           HT1      MET   1  16.926   7.390   5.519
    2    H2   MET   1           HT2      MET   1  17.527   8.890   5.029
    3    H3   MET   1           HT3      MET   1  18.338   7.999   6.226
    4    HA   MET   1           HA       MET   1  19.452   7.923   4.093
    5    HB2  MET   1           HB2      MET   1  19.630   6.025   5.682
    6    HB3  MET   1           HB1      MET   1  18.217   5.288   4.942
    7    HG2  MET   1           HG2      MET   1  19.462   5.108   2.821
    8    HG3  MET   1           HG1      MET   1  20.881   5.777   3.623
    9    HE1  MET   1           HE1      MET   1  21.671   2.962   6.270
   10    HE2  MET   1           HE2      MET   1  20.661   4.388   6.507
   11    HE3  MET   1           HE3      MET   1  22.175   4.520   5.615
   12    H    ALA   2           HN       ALA   2  16.289   6.224   4.001
   13    HA   ALA   2           HA       ALA   2  16.152   6.885   1.151
   14    HB1  ALA   2           HB1      ALA   2  14.988   4.504   2.616
   15    HB2  ALA   2           HB2      ALA   2  16.355   4.461   1.505
   16    HB3  ALA   2           HB3      ALA   2  14.747   4.872   0.910
   17    H    THR   3           HN       THR   3  13.834   7.187   0.457
   18    HA   THR   3           HA       THR   3  12.632   8.805   2.542
   19    HB   THR   3           HB       THR   3  12.987   9.999   0.476
   20    HG1  THR   3           HG1      THR   3  10.244   9.629   0.214
   21   HG21  THR   3          HG21      THR   3  13.031   8.139  -1.123
   22   HG22  THR   3          HG22      THR   3  11.912   9.394  -1.657
   23   HG23  THR   3          HG23      THR   3  11.294   7.916  -0.920
   24    H    LEU   4           HN       LEU   4  11.334   7.746   3.810
   25    HA   LEU   4           HA       LEU   4   9.805   5.481   2.914
   26    HB2  LEU   4           HB2      LEU   4   9.730   6.940   5.554
   27    HB3  LEU   4           HB1      LEU   4   8.980   5.394   5.212
   28    HG   LEU   4           HG       LEU   4  11.939   5.965   5.277
   29   HD11  LEU   4          HD11      LEU   4  10.926   5.928   7.464
   30   HD12  LEU   4          HD12      LEU   4  11.923   4.496   7.218
   31   HD13  LEU   4          HD13      LEU   4  10.165   4.380   7.109
   32   HD21  LEU   4          HD21      LEU   4  10.488   3.362   4.790
   33   HD22  LEU   4          HD22      LEU   4  12.231   3.557   4.974
   34   HD23  LEU   4          HD23      LEU   4  11.403   4.278   3.594
   35    H    LEU   5           HN       LEU   5   7.469   5.375   3.103
   36    HA   LEU   5           HA       LEU   5   6.232   7.662   1.892
   37    HB2  LEU   5           HB2      LEU   5   4.972   5.152   2.963
   38    HB3  LEU   5           HB1      LEU   5   4.220   6.319   1.901
   39    HG   LEU   5           HG       LEU   5   6.509   4.508   1.231
   40   HD11  LEU   5          HD11      LEU   5   3.628   4.535   0.337
   41   HD12  LEU   5          HD12      LEU   5   4.371   3.355   1.417
   42   HD13  LEU   5          HD13      LEU   5   4.877   3.448  -0.269
   43   HD21  LEU   5          HD21      LEU   5   5.022   6.487  -0.470
   44   HD22  LEU   5          HD22      LEU   5   6.236   5.340  -1.041
   45   HD23  LEU   5          HD23      LEU   5   6.693   6.627   0.076
   46    H    THR   6           HN       THR   6   4.799   9.067   2.821
   47    HA   THR   6           HA       THR   6   4.499   8.929   5.659
   48    HB   THR   6           HB       THR   6   3.098  10.988   5.347
   49    HG1  THR   6           HG1      THR   6   2.545  11.655   3.455
   50   HG21  THR   6          HG21      THR   6   5.813  11.086   4.026
   51   HG22  THR   6          HG22      THR   6   5.500  11.206   5.758
   52   HG23  THR   6          HG23      THR   6   4.938  12.475   4.669
   53    H    THR   7           HN       THR   7   1.982   9.532   6.238
   54    HA   THR   7           HA       THR   7   0.547   7.165   5.698
   55    HB   THR   7           HB       THR   7  -0.448   9.801   6.817
   56    HG1  THR   7           HG1      THR   7   0.111   8.756   8.857
   57   HG21  THR   7          HG21      THR   7  -2.190   8.141   6.282
   58   HG22  THR   7          HG22      THR   7  -2.033   8.366   8.026
   59   HG23  THR   7          HG23      THR   7  -1.337   6.941   7.254
   60    H    ASP   8           HN       ASP   8   0.304  10.550   4.690
   61    HA   ASP   8           HA       ASP   8  -1.996  10.156   3.079
   62    HB2  ASP   8           HB2      ASP   8  -1.840  12.406   2.424
   63    HB3  ASP   8           HB1      ASP   8  -1.185  12.384   4.051
   64    H    ASP   9           HN       ASP   9   1.460   9.946   2.385
   65    HA   ASP   9           HA       ASP   9   1.225  10.094  -0.446
   66    HB2  ASP   9           HB2      ASP   9   3.395  10.286   0.909
   67    HB3  ASP   9           HB1      ASP   9   3.375   8.528   0.994
   68    H    LEU  10           HN       LEU  10   1.363   7.387   1.800
   69    HA   LEU  10           HA       LEU  10   1.071   5.301  -0.062
   70    HB2  LEU  10           HB2      LEU  10   1.725   4.894   2.255
   71    HB3  LEU  10           HB1      LEU  10   0.167   5.463   2.819
   72    HG   LEU  10           HG       LEU  10  -0.892   3.546   1.612
   73   HD11  LEU  10          HD11      LEU  10   1.946   2.623   1.265
   74   HD12  LEU  10          HD12      LEU  10   0.826   3.091  -0.014
   75   HD13  LEU  10          HD13      LEU  10   0.506   1.654   0.955
   76   HD21  LEU  10          HD21      LEU  10  -0.261   1.868   3.275
   77   HD22  LEU  10          HD22      LEU  10  -0.487   3.457   4.007
   78   HD23  LEU  10          HD23      LEU  10   1.139   2.840   3.719
   79    H    ARG  11           HN       ARG  11  -1.264   7.167   1.791
   80    HA   ARG  11           HA       ARG  11  -3.646   5.950   1.102
   81    HB2  ARG  11           HB2      ARG  11  -3.454   7.727   2.776
   82    HB3  ARG  11           HB1      ARG  11  -3.103   8.894   1.510
   83    HG2  ARG  11           HG2      ARG  11  -5.357   8.475   0.572
   84    HG3  ARG  11           HG1      ARG  11  -5.688   7.417   1.945
   85    HD2  ARG  11           HD2      ARG  11  -4.971  10.341   2.119
   86    HD3  ARG  11           HD1      ARG  11  -6.594   9.681   2.263
   87    HE   ARG  11           HE       ARG  11  -5.229   8.363   4.188
   88   HH11  ARG  11          HH11      ARG  11  -5.570  11.808   3.430
   89   HH12  ARG  11          HH12      ARG  11  -5.449  12.335   5.030
   90   HH21  ARG  11          HH21      ARG  11  -5.045   9.113   6.461
   91   HH22  ARG  11          HH22      ARG  11  -5.102  10.794   6.755
   92    H    ARG  12           HN       ARG  12  -2.094   8.693  -0.520
   93    HA   ARG  12           HA       ARG  12  -4.004   8.971  -2.564
   94    HB2  ARG  12           HB2      ARG  12  -1.098   9.785  -2.612
   95    HB3  ARG  12           HB1      ARG  12  -2.362  10.397  -3.672
   96    HG2  ARG  12           HG2      ARG  12  -3.525  11.350  -1.760
   97    HG3  ARG  12           HG1      ARG  12  -2.279  10.722  -0.684
   98    HD2  ARG  12           HD2      ARG  12  -1.819  13.020  -1.052
   99    HD3  ARG  12           HD1      ARG  12  -0.625  12.089  -1.953
  100    HE   ARG  12           HE       ARG  12  -1.841  12.560  -3.950
  101   HH11  ARG  12          HH11      ARG  12  -2.691  14.509  -1.102
  102   HH12  ARG  12          HH12      ARG  12  -3.289  15.828  -1.996
  103   HH21  ARG  12          HH21      ARG  12  -2.747  14.390  -5.192
  104   HH22  ARG  12          HH22      ARG  12  -3.407  15.719  -4.341
  105    H    ALA  13           HN       ALA  13  -0.960   7.193  -2.457
  106    HA   ALA  13           HA       ALA  13  -0.920   6.363  -5.155
  107    HB1  ALA  13           HB1      ALA  13   1.034   6.214  -3.675
  108    HB2  ALA  13           HB2      ALA  13   0.665   4.656  -4.417
  109    HB3  ALA  13           HB3      ALA  13   0.223   4.960  -2.737
  110    H    LEU  14           HN       LEU  14  -2.311   4.966  -2.273
  111    HA   LEU  14           HA       LEU  14  -3.165   2.594  -3.563
  112    HB2  LEU  14           HB2      LEU  14  -2.520   2.621  -1.358
  113    HB3  LEU  14           HB1      LEU  14  -3.709   3.809  -0.870
  114    HG   LEU  14           HG       LEU  14  -5.518   2.120  -1.337
  115   HD11  LEU  14          HD11      LEU  14  -4.339   0.710  -2.921
  116   HD12  LEU  14          HD12      LEU  14  -4.921  -0.236  -1.550
  117   HD13  LEU  14          HD13      LEU  14  -3.216   0.206  -1.658
  118   HD21  LEU  14          HD21      LEU  14  -5.140   0.793   0.672
  119   HD22  LEU  14          HD22      LEU  14  -4.683   2.480   0.923
  120   HD23  LEU  14          HD23      LEU  14  -3.438   1.257   0.663
  121    H    VAL  15           HN       VAL  15  -4.530   5.754  -3.234
  122    HA   VAL  15           HA       VAL  15  -7.192   4.902  -3.954
  123    HB   VAL  15           HB       VAL  15  -5.933   7.660  -4.308
  124   HG11  VAL  15          HG11      VAL  15  -8.244   8.474  -4.418
  125   HG12  VAL  15          HG12      VAL  15  -8.829   6.813  -4.305
  126   HG13  VAL  15          HG13      VAL  15  -7.900   7.326  -5.713
  127   HG21  VAL  15          HG21      VAL  15  -7.677   6.631  -2.071
  128   HG22  VAL  15          HG22      VAL  15  -7.125   8.295  -2.264
  129   HG23  VAL  15          HG23      VAL  15  -5.959   7.008  -1.953
  130    H    GLU  16           HN       GLU  16  -4.508   6.483  -5.635
  131    HA   GLU  16           HA       GLU  16  -5.580   6.572  -8.185
  132    HB2  GLU  16           HB2      GLU  16  -2.694   6.383  -7.377
  133    HB3  GLU  16           HB1      GLU  16  -3.256   6.815  -8.980
  134    HG2  GLU  16           HG2      GLU  16  -3.692   8.343  -6.433
  135    HG3  GLU  16           HG1      GLU  16  -2.637   8.787  -7.776
  136    H    SER  17           HN       SER  17  -4.339   3.786  -6.572
  137    HA   SER  17           HA       SER  17  -3.556   2.281  -8.830
  138    HB2  SER  17           HB2      SER  17  -4.728   1.171  -6.251
  139    HB3  SER  17           HB1      SER  17  -3.734   0.316  -7.416
  140    HG   SER  17           HG       SER  17  -2.738   2.650  -6.149
  141    H    ALA  18           HN       ALA  18  -6.670   2.384  -7.071
  142    HA   ALA  18           HA       ALA  18  -8.020   0.930  -9.170
  143    HB1  ALA  18           HB1      ALA  18  -8.727   0.628  -6.851
  144    HB2  ALA  18           HB2      ALA  18 -10.046   1.316  -7.802
  145    HB3  ALA  18           HB3      ALA  18  -9.095   2.344  -6.729
  146    H    GLY  19           HN       GLY  19  -7.529   4.202  -8.156
  147    HA2  GLY  19           HA2      GLY  19  -7.583   5.706 -10.194
  148    HA3  GLY  19           HA1      GLY  19  -9.261   5.174 -10.313
  149    H    GLU  20           HN       GLU  20  -8.027   7.811  -9.794
  150    HA   GLU  20           HA       GLU  20  -8.373   8.669  -7.190
  151    HB2  GLU  20           HB2      GLU  20  -8.724  10.947  -8.205
  152    HB3  GLU  20           HB1      GLU  20  -7.253  10.108  -8.667
  153    HG2  GLU  20           HG2      GLU  20  -8.217   9.535 -10.810
  154    HG3  GLU  20           HG1      GLU  20  -9.756  10.250 -10.331
  155    H    THR  21           HN       THR  21 -10.036   8.153  -6.064
  156    HA   THR  21           HA       THR  21 -12.091   8.043  -5.189
  157    HB   THR  21           HB       THR  21 -12.957  10.161  -7.214
  158    HG1  THR  21           HG1      THR  21 -11.733  10.406  -4.666
  159   HG21  THR  21          HG21      THR  21 -13.906   9.585  -4.386
  160   HG22  THR  21          HG22      THR  21 -14.793   9.177  -5.853
  161   HG23  THR  21          HG23      THR  21 -14.513  10.869  -5.435
  162    H    ASP  22           HN       ASP  22 -11.256   6.632  -7.758
  163    HA   ASP  22           HA       ASP  22 -13.836   5.747  -8.809
  164    HB2  ASP  22           HB2      ASP  22 -10.992   4.914  -9.450
  165    HB3  ASP  22           HB1      ASP  22 -12.389   4.111 -10.132
  166    H    GLY  23           HN       GLY  23 -11.376   4.872  -6.624
  167    HA2  GLY  23           HA2      GLY  23 -12.193   2.148  -6.229
  168    HA3  GLY  23           HA1      GLY  23 -11.091   3.064  -5.204
  169    H    THR  24           HN       THR  24 -12.095   4.695  -3.761
  170    HA   THR  24           HA       THR  24 -14.797   4.596  -3.106
  171    HB   THR  24           HB       THR  24 -14.162   2.324  -2.217
  172    HG1  THR  24           HG1      THR  24 -15.746   3.359  -1.091
  173   HG21  THR  24          HG21      THR  24 -12.611   2.131  -0.308
  174   HG22  THR  24          HG22      THR  24 -12.226   3.848  -0.454
  175   HG23  THR  24          HG23      THR  24 -11.794   2.735  -1.751
  176    H    ASP  25           HN       ASP  25 -14.599   5.480  -0.501
  177    HA   ASP  25           HA       ASP  25 -12.958   7.857  -0.827
  178    HB2  ASP  25           HB2      ASP  25 -15.240   8.194   0.053
  179    HB3  ASP  25           HB1      ASP  25 -14.874   7.134   1.413
  180    H    LEU  26           HN       LEU  26 -10.947   7.319  -0.531
  181    HA   LEU  26           HA       LEU  26 -10.297   5.791   1.859
  182    HB2  LEU  26           HB2      LEU  26  -9.551   4.843  -0.309
  183    HB3  LEU  26           HB1      LEU  26  -8.615   6.290  -0.598
  184    HG   LEU  26           HG       LEU  26  -7.212   5.751   1.364
  185   HD11  LEU  26          HD11      LEU  26  -8.840   4.461   2.640
  186   HD12  LEU  26          HD12      LEU  26  -7.364   3.533   2.370
  187   HD13  LEU  26          HD13      LEU  26  -8.807   3.193   1.413
  188   HD21  LEU  26          HD21      LEU  26  -6.531   5.079  -0.864
  189   HD22  LEU  26          HD22      LEU  26  -7.453   3.587  -0.713
  190   HD23  LEU  26          HD23      LEU  26  -6.047   3.864   0.320
  191    H    SER  27           HN       SER  27 -10.661   7.651   3.067
  192    HA   SER  27           HA       SER  27  -8.309   9.337   3.208
  193    HB2  SER  27           HB2      SER  27 -10.081  10.560   1.915
  194    HB3  SER  27           HB1      SER  27 -11.144  10.394   3.311
  195    HG   SER  27           HG       SER  27 -10.310  12.215   3.854
  196    H    GLY  28           HN       GLY  28  -8.365  10.495   5.366
  197    HA2  GLY  28           HA2      GLY  28  -8.635  10.478   7.649
  198    HA3  GLY  28           HA1      GLY  28  -9.956   9.329   7.444
  199    H    ASP  29           HN       ASP  29  -9.179   8.103   9.177
  200    HA   ASP  29           HA       ASP  29  -6.518   7.002   9.096
  201    HB2  ASP  29           HB2      ASP  29  -8.876   6.335  10.883
  202    HB3  ASP  29           HB1      ASP  29  -7.255   5.672  11.072
  203    H    PHE  30           HN       PHE  30  -6.046   5.553   7.669
  204    HA   PHE  30           HA       PHE  30  -8.157   3.629   6.932
  205    HB2  PHE  30           HB2      PHE  30  -7.305   3.547   4.680
  206    HB3  PHE  30           HB1      PHE  30  -7.606   5.218   5.127
  207    HD1  PHE  30           HD1      PHE  30  -5.625   6.672   5.733
  208    HD2  PHE  30           HD2      PHE  30  -5.198   2.823   3.974
  209    HE1  PHE  30           HE1      PHE  30  -3.326   7.226   5.073
  210    HE2  PHE  30           HE2      PHE  30  -2.896   3.371   3.317
  211    HZ   PHE  30           HZ       PHE  30  -1.958   5.576   3.868
  212    H    LEU  31           HN       LEU  31  -5.243   3.717   8.535
  213    HA   LEU  31           HA       LEU  31  -3.984   1.452   7.316
  214    HB2  LEU  31           HB2      LEU  31  -3.475   2.737  10.008
  215    HB3  LEU  31           HB1      LEU  31  -2.563   1.375   9.411
  216    HG   LEU  31           HG       LEU  31  -1.228   3.279   9.103
  217   HD11  LEU  31          HD11      LEU  31  -0.888   3.402   6.698
  218   HD12  LEU  31          HD12      LEU  31  -2.426   2.578   6.450
  219   HD13  LEU  31          HD13      LEU  31  -1.107   1.749   7.273
  220   HD21  LEU  31          HD21      LEU  31  -3.544   4.606   7.706
  221   HD22  LEU  31          HD22      LEU  31  -1.920   5.278   7.860
  222   HD23  LEU  31          HD23      LEU  31  -2.908   5.016   9.297
  223    H    ASP  32           HN       ASP  32  -6.317   1.912   9.752
  224    HA   ASP  32           HA       ASP  32  -6.227  -0.905  10.536
  225    HB2  ASP  32           HB2      ASP  32  -7.862   1.383  11.646
  226    HB3  ASP  32           HB1      ASP  32  -7.953  -0.276  12.221
  227    H    LEU  33           HN       LEU  33  -7.421   0.501   7.972
  228    HA   LEU  33           HA       LEU  33 -10.000  -0.880   8.096
  229    HB2  LEU  33           HB2      LEU  33  -8.940   1.111   6.079
  230    HB3  LEU  33           HB1      LEU  33 -10.489   0.301   5.964
  231    HG   LEU  33           HG       LEU  33  -9.674   2.293   8.078
  232   HD11  LEU  33          HD11      LEU  33 -11.631   2.477   5.795
  233   HD12  LEU  33          HD12      LEU  33 -10.074   3.295   5.900
  234   HD13  LEU  33          HD13      LEU  33 -11.367   3.711   7.027
  235   HD21  LEU  33          HD21      LEU  33 -11.179   0.601   8.994
  236   HD22  LEU  33          HD22      LEU  33 -12.300   0.856   7.655
  237   HD23  LEU  33          HD23      LEU  33 -12.008   2.148   8.820
  238    H    ARG  34           HN       ARG  34 -10.300  -2.639   6.848
  239    HA   ARG  34           HA       ARG  34  -7.905  -3.898   5.834
  240    HB2  ARG  34           HB2      ARG  34 -10.790  -4.756   5.701
  241    HB3  ARG  34           HB1      ARG  34  -9.385  -5.762   5.382
  242    HG2  ARG  34           HG2      ARG  34  -8.771  -5.795   7.642
  243    HG3  ARG  34           HG1      ARG  34  -9.855  -4.453   8.035
  244    HD2  ARG  34           HD2      ARG  34 -10.675  -7.213   7.143
  245    HD3  ARG  34           HD1      ARG  34 -10.767  -6.534   8.779
  246    HE   ARG  34           HE       ARG  34 -12.130  -4.735   7.360
  247   HH11  ARG  34          HH11      ARG  34 -12.615  -8.260   7.649
  248   HH12  ARG  34          HH12      ARG  34 -14.250  -8.187   7.153
  249   HH21  ARG  34          HH21      ARG  34 -14.324  -4.680   6.731
  250   HH22  ARG  34          HH22      ARG  34 -15.267  -6.093   6.602
  251    H    PHE  35           HN       PHE  35  -7.915  -4.822   3.639
  252    HA   PHE  35           HA       PHE  35  -8.734  -2.896   1.697
  253    HB2  PHE  35           HB2      PHE  35  -7.574  -5.673   1.367
  254    HB3  PHE  35           HB1      PHE  35  -7.789  -4.501   0.065
  255    HD1  PHE  35           HD2      PHE  35  -6.711  -2.141   0.558
  256    HD2  PHE  35           HD1      PHE  35  -5.524  -5.795   2.370
  257    HE1  PHE  35           HE2      PHE  35  -4.508  -1.172   1.062
  258    HE2  PHE  35           HE1      PHE  35  -3.327  -4.830   2.883
  259    HZ   PHE  35           HZ       PHE  35  -2.816  -2.519   2.227
  260    H    GLU  36           HN       GLU  36  -9.834  -5.874   2.996
  261    HA   GLU  36           HA       GLU  36 -11.981  -6.400   1.279
  262    HB2  GLU  36           HB2      GLU  36 -11.707  -6.978   4.243
  263    HB3  GLU  36           HB1      GLU  36 -12.928  -7.686   3.193
  264    HG2  GLU  36           HG2      GLU  36 -11.165  -8.733   1.854
  265    HG3  GLU  36           HG1      GLU  36  -9.953  -8.025   2.913
  266    H    ASP  37           HN       ASP  37 -11.520  -3.939   3.653
  267    HA   ASP  37           HA       ASP  37 -14.322  -3.237   3.918
  268    HB2  ASP  37           HB2      ASP  37 -11.801  -1.869   4.872
  269    HB3  ASP  37           HB1      ASP  37 -13.384  -1.115   4.994
  270    H    ILE  38           HN       ILE  38 -11.470  -2.064   2.236
  271    HA   ILE  38           HA       ILE  38 -13.051   0.091   1.103
  272    HB   ILE  38           HB       ILE  38 -10.939   1.009   0.217
  273   HG12  ILE  38          HG12      ILE  38  -9.647  -1.303   1.693
  274   HG13  ILE  38          HG11      ILE  38  -9.731  -1.136  -0.056
  275   HG21  ILE  38          HG21      ILE  38  -9.994   1.649   2.393
  276   HG22  ILE  38          HG22      ILE  38 -10.929   0.359   3.161
  277   HG23  ILE  38          HG23      ILE  38 -11.759   1.708   2.390
  278   HD11  ILE  38          HD11      ILE  38  -8.260   0.702   1.826
  279   HD12  ILE  38          HD12      ILE  38  -8.341   0.873   0.073
  280   HD13  ILE  38          HD13      ILE  38  -7.537  -0.527   0.787
  281    H    GLY  39           HN       GLY  39 -12.936  -2.878   0.220
  282    HA2  GLY  39           HA2      GLY  39 -13.510  -3.928  -1.744
  283    HA3  GLY  39           HA1      GLY  39 -13.711  -2.335  -2.455
  284    H    TYR  40           HN       TYR  40 -10.850  -4.046  -1.161
  285    HA   TYR  40           HA       TYR  40  -9.616  -3.771  -3.792
  286    HB2  TYR  40           HB2      TYR  40  -8.755  -2.839  -1.182
  287    HB3  TYR  40           HB1      TYR  40  -7.577  -3.871  -1.980
  288    HD1  TYR  40           HD1      TYR  40  -9.385  -0.719  -2.097
  289    HD2  TYR  40           HD2      TYR  40  -6.468  -3.120  -4.032
  290    HE1  TYR  40           HE1      TYR  40  -8.708   1.212  -3.434
  291    HE2  TYR  40           HE2      TYR  40  -5.771  -1.181  -5.381
  292    HH   TYR  40           HH       TYR  40  -6.890   0.924  -6.161
  293    H    ASP  41           HN       ASP  41  -8.957  -5.604  -4.610
  294    HA   ASP  41           HA       ASP  41  -8.859  -8.044  -3.008
  295    HB2  ASP  41           HB2      ASP  41  -8.354  -7.564  -5.954
  296    HB3  ASP  41           HB1      ASP  41  -8.211  -9.135  -5.187
  297    H    SER  42           HN       SER  42  -6.935  -9.489  -3.247
  298    HA   SER  42           HA       SER  42  -4.572  -8.160  -2.413
  299    HB2  SER  42           HB2      SER  42  -4.698 -10.938  -3.560
  300    HB3  SER  42           HB1      SER  42  -3.647 -10.339  -2.275
  301    H    LEU  43           HN       LEU  43  -5.817  -9.283  -5.385
  302    HA   LEU  43           HA       LEU  43  -3.617  -9.294  -7.091
  303    HB2  LEU  43           HB2      LEU  43  -6.483  -8.551  -7.652
  304    HB3  LEU  43           HB1      LEU  43  -5.285  -8.945  -8.872
  305    HG   LEU  43           HG       LEU  43  -6.173 -10.862  -6.718
  306   HD11  LEU  43          HD11      LEU  43  -7.452 -11.974  -8.463
  307   HD12  LEU  43          HD12      LEU  43  -7.053 -10.677  -9.598
  308   HD13  LEU  43          HD13      LEU  43  -8.040 -10.342  -8.170
  309   HD21  LEU  43          HD21      LEU  43  -4.579 -11.242  -9.250
  310   HD22  LEU  43          HD22      LEU  43  -5.078 -12.520  -8.139
  311   HD23  LEU  43          HD23      LEU  43  -3.946 -11.281  -7.604
  312    H    ALA  44           HN       ALA  44  -5.905  -6.692  -6.349
  313    HA   ALA  44           HA       ALA  44  -4.638  -4.736  -7.932
  314    HB1  ALA  44           HB1      ALA  44  -6.495  -4.376  -5.583
  315    HB2  ALA  44           HB2      ALA  44  -6.989  -4.611  -7.260
  316    HB3  ALA  44           HB3      ALA  44  -6.102  -3.158  -6.797
  317    H    LEU  45           HN       LEU  45  -4.108  -5.883  -4.711
  318    HA   LEU  45           HA       LEU  45  -2.677  -3.660  -3.691
  319    HB2  LEU  45           HB2      LEU  45  -2.414  -6.555  -2.934
  320    HB3  LEU  45           HB1      LEU  45  -1.836  -5.192  -2.001
  321    HG   LEU  45           HG       LEU  45  -4.706  -5.854  -2.590
  322   HD11  LEU  45          HD11      LEU  45  -3.116  -5.909  -0.045
  323   HD12  LEU  45          HD12      LEU  45  -3.659  -7.319  -0.951
  324   HD13  LEU  45          HD13      LEU  45  -4.841  -6.246  -0.193
  325   HD21  LEU  45          HD21      LEU  45  -5.219  -3.978  -1.108
  326   HD22  LEU  45          HD22      LEU  45  -4.350  -3.454  -2.552
  327   HD23  LEU  45          HD23      LEU  45  -3.501  -3.593  -1.014
  328    H    MET  46           HN       MET  46  -1.769  -6.387  -5.633
  329    HA   MET  46           HA       MET  46   1.041  -6.035  -5.331
  330    HB2  MET  46           HB2      MET  46  -0.490  -7.395  -7.563
  331    HB3  MET  46           HB1      MET  46   1.252  -7.500  -7.323
  332    HG2  MET  46           HG2      MET  46   0.910  -8.614  -5.180
  333    HG3  MET  46           HG1      MET  46  -0.835  -8.435  -5.380
  334    HE1  MET  46           HE1      MET  46  -1.430 -10.801  -8.505
  335    HE2  MET  46           HE2      MET  46  -1.055  -9.079  -8.561
  336    HE3  MET  46           HE3      MET  46  -2.195  -9.695  -7.363
  337    H    GLU  47           HN       GLU  47  -1.389  -4.683  -7.385
  338    HA   GLU  47           HA       GLU  47   0.330  -3.334  -9.214
  339    HB2  GLU  47           HB2      GLU  47  -2.126  -3.826  -9.576
  340    HB3  GLU  47           HB1      GLU  47  -2.487  -2.639  -8.351
  341    HG2  GLU  47           HG2      GLU  47  -2.832  -1.633 -10.495
  342    HG3  GLU  47           HG1      GLU  47  -1.440  -0.884  -9.729
  343    H    THR  48           HN       THR  48  -1.385  -2.408  -6.227
  344    HA   THR  48           HA       THR  48  -0.479   0.198  -5.977
  345    HB   THR  48           HB       THR  48  -1.072  -1.798  -3.776
  346    HG1  THR  48           HG1      THR  48  -2.698  -0.018  -5.282
  347   HG21  THR  48          HG21      THR  48  -1.174   1.231  -3.794
  348   HG22  THR  48          HG22      THR  48   0.038   0.247  -2.967
  349   HG23  THR  48          HG23      THR  48  -1.646   0.186  -2.450
  350    H    ALA  49           HN       ALA  49   1.030  -2.832  -4.856
  351    HA   ALA  49           HA       ALA  49   3.243  -1.527  -3.687
  352    HB1  ALA  49           HB1      ALA  49   3.046  -4.369  -4.708
  353    HB2  ALA  49           HB2      ALA  49   2.660  -3.810  -3.070
  354    HB3  ALA  49           HB3      ALA  49   4.312  -3.731  -3.658
  355    H    ALA  50           HN       ALA  50   2.666  -2.815  -6.935
  356    HA   ALA  50           HA       ALA  50   5.232  -2.606  -7.999
  357    HB1  ALA  50           HB1      ALA  50   4.184  -2.619 -10.190
  358    HB2  ALA  50           HB2      ALA  50   2.628  -2.207  -9.472
  359    HB3  ALA  50           HB3      ALA  50   3.378  -3.764  -9.120
  360    H    ARG  51           HN       ARG  51   2.704  -0.165  -7.828
  361    HA   ARG  51           HA       ARG  51   4.122   1.787  -9.339
  362    HB2  ARG  51           HB2      ARG  51   2.469   3.445  -8.456
  363    HB3  ARG  51           HB1      ARG  51   1.719   2.023  -9.160
  364    HG2  ARG  51           HG2      ARG  51   1.399   1.109  -6.894
  365    HG3  ARG  51           HG1      ARG  51   2.063   2.601  -6.232
  366    HD2  ARG  51           HD2      ARG  51  -0.334   2.492  -8.043
  367    HD3  ARG  51           HD1      ARG  51  -0.441   2.449  -6.285
  368    HE   ARG  51           HE       ARG  51   0.575   4.630  -6.263
  369   HH11  ARG  51          HH11      ARG  51  -0.933   3.556  -9.326
  370   HH12  ARG  51          HH12      ARG  51  -1.216   5.124  -9.896
  371   HH21  ARG  51          HH21      ARG  51   0.273   6.840  -7.163
  372   HH22  ARG  51          HH22      ARG  51  -0.470   7.033  -8.669
  373    H    LEU  52           HN       LEU  52   4.255   0.815  -6.068
  374    HA   LEU  52           HA       LEU  52   5.657   3.178  -5.214
  375    HB2  LEU  52           HB2      LEU  52   5.114   0.569  -3.804
  376    HB3  LEU  52           HB1      LEU  52   5.870   1.969  -3.064
  377    HG   LEU  52           HG       LEU  52   3.055   1.878  -4.149
  378   HD11  LEU  52          HD11      LEU  52   2.370   2.004  -1.812
  379   HD12  LEU  52          HD12      LEU  52   4.056   1.876  -1.312
  380   HD13  LEU  52          HD13      LEU  52   3.280   0.532  -2.149
  381   HD21  LEU  52          HD21      LEU  52   4.510   4.036  -2.620
  382   HD22  LEU  52          HD22      LEU  52   2.803   4.062  -3.070
  383   HD23  LEU  52          HD23      LEU  52   4.047   4.097  -4.321
  384    H    GLU  53           HN       GLU  53   6.359  -0.190  -5.979
  385    HA   GLU  53           HA       GLU  53   9.048  -0.385  -5.378
  386    HB2  GLU  53           HB2      GLU  53   7.578  -1.531  -7.760
  387    HB3  GLU  53           HB1      GLU  53   9.191  -2.004  -7.273
  388    HG2  GLU  53           HG2      GLU  53   8.278  -2.852  -5.156
  389    HG3  GLU  53           HG1      GLU  53   6.656  -2.403  -5.696
  390    H    SER  54           HN       SER  54   7.652   0.511  -8.507
  391    HA   SER  54           HA       SER  54  10.075   1.086  -9.772
  392    HB2  SER  54           HB2      SER  54   8.515   2.168 -11.474
  393    HB3  SER  54           HB1      SER  54   8.228   0.465 -11.102
  394    HG   SER  54           HG       SER  54   6.337   0.969 -10.330
  395    H    ARG  55           HN       ARG  55   8.007   3.062  -7.817
  396    HA   ARG  55           HA       ARG  55   9.192   5.518  -8.777
  397    HB2  ARG  55           HB2      ARG  55   6.837   5.513  -8.255
  398    HB3  ARG  55           HB1      ARG  55   7.159   4.999  -6.611
  399    HG2  ARG  55           HG2      ARG  55   8.198   7.141  -6.123
  400    HG3  ARG  55           HG1      ARG  55   7.972   7.649  -7.802
  401    HD2  ARG  55           HD2      ARG  55   5.576   7.525  -7.556
  402    HD3  ARG  55           HD1      ARG  55   5.746   6.863  -5.931
  403    HE   ARG  55           HE       ARG  55   6.974   9.174  -5.602
  404   HH11  ARG  55          HH11      ARG  55   3.979   8.597  -7.430
  405   HH12  ARG  55          HH12      ARG  55   3.259  10.057  -6.958
  406   HH21  ARG  55          HH21      ARG  55   6.046  11.124  -5.011
  407   HH22  ARG  55          HH22      ARG  55   4.478  11.590  -5.545
  408    H    TYR  56           HN       TYR  56   9.571   3.396  -5.998
  409    HA   TYR  56           HA       TYR  56  11.347   5.419  -4.889
  410    HB2  TYR  56           HB2      TYR  56   9.828   3.263  -3.430
  411    HB3  TYR  56           HB1      TYR  56  11.000   4.340  -2.663
  412    HD1  TYR  56           HD1      TYR  56  10.582   6.815  -2.696
  413    HD2  TYR  56           HD2      TYR  56   7.599   4.022  -3.875
  414    HE1  TYR  56           HE1      TYR  56   8.874   8.559  -2.482
  415    HE2  TYR  56           HE2      TYR  56   5.874   5.765  -3.655
  416    HH   TYR  56           HH       TYR  56   5.507   7.967  -2.480
  417    H    GLY  57           HN       GLY  57  11.595   2.548  -6.503
  418    HA2  GLY  57           HA2      GLY  57  13.583   1.568  -7.181
  419    HA3  GLY  57           HA1      GLY  57  14.439   2.585  -6.034
  420    H    VAL  58           HN       VAL  58  11.983   0.033  -5.836
  421    HA   VAL  58           HA       VAL  58  13.718  -1.605  -4.263
  422    HB   VAL  58           HB       VAL  58  12.711   0.120  -2.687
  423   HG11  VAL  58          HG11      VAL  58  10.133  -1.291  -3.245
  424   HG12  VAL  58          HG12      VAL  58  10.540   0.387  -3.589
  425   HG13  VAL  58          HG13      VAL  58  10.407  -0.161  -1.918
  426   HG21  VAL  58          HG21      VAL  58  13.603  -1.995  -1.842
  427   HG22  VAL  58          HG22      VAL  58  12.003  -2.738  -2.020
  428   HG23  VAL  58          HG23      VAL  58  12.244  -1.418  -0.887
  429    H    SER  59           HN       SER  59  12.249  -3.708  -3.630
  430    HA   SER  59           HA       SER  59  10.111  -3.941  -5.565
  431    HB2  SER  59           HB2      SER  59  12.200  -4.862  -6.584
  432    HB3  SER  59           HB1      SER  59  12.307  -6.002  -5.246
  433    HG   SER  59           HG       SER  59   9.949  -5.793  -6.738
  434    H    ILE  60           HN       ILE  60   8.522  -5.331  -4.984
  435    HA   ILE  60           HA       ILE  60   8.680  -6.594  -2.330
  436    HB   ILE  60           HB       ILE  60   6.269  -5.166  -3.519
  437   HG12  ILE  60          HG12      ILE  60   7.942  -4.405  -1.108
  438   HG13  ILE  60          HG11      ILE  60   7.983  -3.591  -2.667
  439   HG21  ILE  60          HG21      ILE  60   5.169  -5.642  -1.367
  440   HG22  ILE  60          HG22      ILE  60   6.585  -6.557  -0.853
  441   HG23  ILE  60          HG23      ILE  60   5.621  -7.120  -2.217
  442   HD11  ILE  60          HD11      ILE  60   5.648  -2.941  -2.381
  443   HD12  ILE  60          HD12      ILE  60   6.660  -2.355  -1.060
  444   HD13  ILE  60          HD13      ILE  60   5.618  -3.759  -0.821
  445    HA   PRO  61           HA       PRO  61   7.676 -10.081  -4.988
  446    HB2  PRO  61           HB2      PRO  61   7.025 -11.355  -2.385
  447    HB3  PRO  61           HB1      PRO  61   8.132 -11.897  -3.651
  448    HG2  PRO  61           HG2      PRO  61   9.068 -10.888  -1.370
  449    HG3  PRO  61           HG1      PRO  61   9.856 -10.528  -2.917
  450    HD2  PRO  61           HD2      PRO  61   8.017  -8.826  -1.284
  451    HD3  PRO  61           HD1      PRO  61   9.482  -8.365  -2.178
  452    H    ASP  62           HN       ASP  62   5.823 -10.849  -5.829
  453    HA   ASP  62           HA       ASP  62   3.403  -9.524  -5.286
  454    HB2  ASP  62           HB2      ASP  62   2.345 -10.931  -6.955
  455    HB3  ASP  62           HB1      ASP  62   3.944 -10.476  -7.523
  456    H    ASP  63           HN       ASP  63   4.596 -12.617  -4.194
  457    HA   ASP  63           HA       ASP  63   2.154 -13.598  -3.101
  458    HB2  ASP  63           HB2      ASP  63   5.011 -14.268  -2.370
  459    HB3  ASP  63           HB1      ASP  63   3.613 -15.084  -1.687
  460    H    VAL  64           HN       VAL  64   4.323 -11.253  -2.076
  461    HA   VAL  64           HA       VAL  64   3.575 -11.282   0.730
  462    HB   VAL  64           HB       VAL  64   5.208  -9.377  -0.921
  463   HG11  VAL  64          HG11      VAL  64   4.928  -9.625   2.095
  464   HG12  VAL  64          HG12      VAL  64   4.317  -8.301   1.102
  465   HG13  VAL  64          HG13      VAL  64   6.054  -8.542   1.276
  466   HG21  VAL  64          HG21      VAL  64   7.158 -10.433   0.180
  467   HG22  VAL  64          HG22      VAL  64   6.231 -11.566  -0.803
  468   HG23  VAL  64          HG23      VAL  64   6.064 -11.582   0.952
  469    H    ALA  65           HN       ALA  65   3.348  -9.099  -2.049
  470    HA   ALA  65           HA       ALA  65   1.727  -7.167  -0.829
  471    HB1  ALA  65           HB1      ALA  65   3.003  -6.678  -2.824
  472    HB2  ALA  65           HB2      ALA  65   1.291  -6.367  -3.133
  473    HB3  ALA  65           HB3      ALA  65   2.056  -7.834  -3.747
  474    H    GLY  66           HN       GLY  66   0.886 -10.083  -2.647
  475    HA2  GLY  66           HA2      GLY  66  -1.954  -9.513  -2.397
  476    HA3  GLY  66           HA1      GLY  66  -1.226 -10.916  -3.170
  477    H    ARG  67           HN       ARG  67  -0.422  -9.800  -0.018
  478    HA   ARG  67           HA       ARG  67  -1.824 -12.049   1.278
  479    HB2  ARG  67           HB2      ARG  67   0.426 -12.767   0.838
  480    HB3  ARG  67           HB1      ARG  67   1.072 -11.287   1.509
  481    HG2  ARG  67           HG2      ARG  67   0.270 -11.992   3.730
  482    HG3  ARG  67           HG1      ARG  67  -0.273 -13.519   3.011
  483    HD2  ARG  67           HD2      ARG  67   1.963 -13.986   2.245
  484    HD3  ARG  67           HD1      ARG  67   2.523 -12.443   2.864
  485    HE   ARG  67           HE       ARG  67   1.625 -13.544   5.070
  486   HH11  ARG  67          HH11      ARG  67   3.289 -15.183   2.452
  487   HH12  ARG  67          HH12      ARG  67   4.394 -16.051   3.397
  488   HH21  ARG  67          HH21      ARG  67   3.128 -14.723   6.490
  489   HH22  ARG  67          HH22      ARG  67   4.277 -15.787   5.796
  490    H    VAL  68           HN       VAL  68  -0.718  -8.773   1.316
  491    HA   VAL  68           HA       VAL  68  -0.887  -8.414   4.107
  492    HB   VAL  68           HB       VAL  68  -0.807  -5.967   3.648
  493   HG11  VAL  68          HG11      VAL  68   1.223  -7.641   2.185
  494   HG12  VAL  68          HG12      VAL  68   1.231  -7.240   3.902
  495   HG13  VAL  68          HG13      VAL  68   1.455  -5.971   2.697
  496   HG21  VAL  68          HG21      VAL  68  -0.707  -6.814   0.749
  497   HG22  VAL  68          HG22      VAL  68  -0.406  -5.187   1.351
  498   HG23  VAL  68          HG23      VAL  68  -2.010  -5.905   1.514
  499    H    ASP  69           HN       ASP  69  -2.422  -7.833   5.378
  500    HA   ASP  69           HA       ASP  69  -5.126  -8.132   4.353
  501    HB2  ASP  69           HB2      ASP  69  -4.531  -9.605   6.107
  502    HB3  ASP  69           HB1      ASP  69  -3.854  -8.304   7.067
  503    H    THR  70           HN       THR  70  -3.141  -5.907   6.173
  504    HA   THR  70           HA       THR  70  -5.208  -3.858   5.792
  505    HB   THR  70           HB       THR  70  -4.369  -2.848   7.961
  506    HG1  THR  70           HG1      THR  70  -2.892  -5.286   7.956
  507   HG21  THR  70          HG21      THR  70  -5.541  -5.648   8.148
  508   HG22  THR  70          HG22      THR  70  -6.471  -4.181   7.914
  509   HG23  THR  70          HG23      THR  70  -5.605  -4.439   9.426
  510    HA   PRO  71           HA       PRO  71  -2.188  -1.390   3.647
  511    HB2  PRO  71           HB2      PRO  71  -3.079   0.966   5.213
  512    HB3  PRO  71           HB1      PRO  71  -3.092   0.709   3.463
  513    HG2  PRO  71           HG2      PRO  71  -5.357   0.638   4.835
  514    HG3  PRO  71           HG1      PRO  71  -5.057  -0.520   3.525
  515    HD2  PRO  71           HD2      PRO  71  -4.822  -0.910   6.488
  516    HD3  PRO  71           HD1      PRO  71  -5.563  -1.974   5.270
  517    H    ARG  72           HN       ARG  72  -2.317  -1.281   7.065
  518    HA   ARG  72           HA       ARG  72  -0.007   0.141   7.715
  519    HB2  ARG  72           HB2      ARG  72  -1.595  -0.481   9.394
  520    HB3  ARG  72           HB1      ARG  72  -1.390  -2.184   9.041
  521    HG2  ARG  72           HG2      ARG  72   0.784  -2.196  10.034
  522    HG3  ARG  72           HG1      ARG  72   0.769  -0.437  10.198
  523    HD2  ARG  72           HD2      ARG  72  -1.219  -2.276  11.517
  524    HD3  ARG  72           HD1      ARG  72   0.234  -1.654  12.307
  525    HE   ARG  72           HE       ARG  72  -0.664   0.592  11.844
  526   HH11  ARG  72          HH11      ARG  72  -3.048  -2.078  11.926
  527   HH12  ARG  72          HH12      ARG  72  -4.266  -1.059  12.588
  528   HH21  ARG  72          HH21      ARG  72  -2.410   1.890  12.684
  529   HH22  ARG  72          HH22      ARG  72  -3.935   1.164  12.956
  530    H    GLU  73           HN       GLU  73  -0.500  -3.189   6.758
  531    HA   GLU  73           HA       GLU  73   2.187  -4.076   7.107
  532    HB2  GLU  73           HB2      GLU  73  -0.083  -5.160   5.451
  533    HB3  GLU  73           HB1      GLU  73   1.415  -6.008   5.803
  534    HG2  GLU  73           HG2      GLU  73   0.885  -6.177   8.091
  535    HG3  GLU  73           HG1      GLU  73  -0.463  -5.049   7.928
  536    H    LEU  74           HN       LEU  74   0.239  -2.948   4.412
  537    HA   LEU  74           HA       LEU  74   2.072  -3.320   2.281
  538    HB2  LEU  74           HB2      LEU  74  -0.484  -2.606   2.377
  539    HB3  LEU  74           HB1      LEU  74   0.166  -0.989   2.404
  540    HG   LEU  74           HG       LEU  74   0.509  -3.007   0.168
  541   HD11  LEU  74          HD11      LEU  74  -1.162  -0.525   0.343
  542   HD12  LEU  74          HD12      LEU  74  -1.738  -2.192   0.331
  543   HD13  LEU  74          HD13      LEU  74  -0.937  -1.525  -1.092
  544   HD21  LEU  74          HD21      LEU  74   1.355  -0.104   0.287
  545   HD22  LEU  74          HD22      LEU  74   1.468  -1.153  -1.126
  546   HD23  LEU  74          HD23      LEU  74   2.447  -1.488   0.302
  547    H    LEU  75           HN       LEU  75   1.535  -0.603   4.497
  548    HA   LEU  75           HA       LEU  75   3.516   1.147   3.510
  549    HB2  LEU  75           HB2      LEU  75   1.710   1.814   5.056
  550    HB3  LEU  75           HB1      LEU  75   2.436   0.848   6.321
  551    HG   LEU  75           HG       LEU  75   4.410   2.343   6.297
  552   HD11  LEU  75          HD11      LEU  75   2.784   3.969   4.351
  553   HD12  LEU  75          HD12      LEU  75   4.279   3.107   3.994
  554   HD13  LEU  75          HD13      LEU  75   4.295   4.471   5.110
  555   HD21  LEU  75          HD21      LEU  75   1.762   3.731   6.688
  556   HD22  LEU  75          HD22      LEU  75   3.308   4.255   7.357
  557   HD23  LEU  75          HD23      LEU  75   2.594   2.727   7.876
  558    H    ASP  76           HN       ASP  76   3.557  -1.305   6.051
  559    HA   ASP  76           HA       ASP  76   6.184  -1.044   6.947
  560    HB2  ASP  76           HB2      ASP  76   4.716  -2.383   8.231
  561    HB3  ASP  76           HB1      ASP  76   4.323  -3.412   6.859
  562    H    LEU  77           HN       LEU  77   4.893  -2.962   4.297
  563    HA   LEU  77           HA       LEU  77   7.142  -4.402   3.526
  564    HB2  LEU  77           HB2      LEU  77   5.157  -3.128   1.641
  565    HB3  LEU  77           HB1      LEU  77   6.200  -4.478   1.276
  566    HG   LEU  77           HG       LEU  77   3.848  -4.453   3.141
  567   HD11  LEU  77          HD11      LEU  77   3.258  -4.499   0.801
  568   HD12  LEU  77          HD12      LEU  77   2.922  -6.061   1.546
  569   HD13  LEU  77          HD13      LEU  77   4.345  -5.859   0.527
  570   HD21  LEU  77          HD21      LEU  77   5.753  -6.710   2.518
  571   HD22  LEU  77          HD22      LEU  77   4.270  -6.844   3.463
  572   HD23  LEU  77          HD23      LEU  77   5.613  -5.868   4.063
  573    H    ILE  78           HN       ILE  78   6.172  -1.161   2.690
  574    HA   ILE  78           HA       ILE  78   8.411  -0.604   1.011
  575    HB   ILE  78           HB       ILE  78   6.435   1.235   2.385
  576   HG12  ILE  78          HG12      ILE  78   5.435  -0.269   0.719
  577   HG13  ILE  78          HG11      ILE  78   5.383   1.407   0.188
  578   HG21  ILE  78          HG21      ILE  78   8.429   2.501   1.939
  579   HG22  ILE  78          HG22      ILE  78   7.206   2.944   0.738
  580   HG23  ILE  78          HG23      ILE  78   8.518   1.858   0.302
  581   HD11  ILE  78          HD11      ILE  78   7.302   1.004  -1.271
  582   HD12  ILE  78          HD12      ILE  78   5.962  -0.078  -1.640
  583   HD13  ILE  78          HD13      ILE  78   7.354  -0.676  -0.736
  584    H    ASN  79           HN       ASN  79   7.484   0.395   4.284
  585    HA   ASN  79           HA       ASN  79   9.696   1.939   4.927
  586    HB2  ASN  79           HB2      ASN  79   7.958   0.283   6.757
  587    HB3  ASN  79           HB1      ASN  79   9.185   1.392   7.340
  588   HD21  ASN  79          HD21      ASN  79   8.628   3.398   5.261
  589   HD22  ASN  79          HD22      ASN  79   7.112   4.104   5.721
  590    H    GLY  80           HN       GLY  80   9.282  -1.535   5.597
  591    HA2  GLY  80           HA2      GLY  80  11.798  -1.845   6.838
  592    HA3  GLY  80           HA1      GLY  80  10.795  -3.132   6.188
  593    H    ALA  81           HN       ALA  81  10.708  -2.384   3.524
  594    HA   ALA  81           HA       ALA  81  13.126  -3.515   2.618
  595    HB1  ALA  81           HB1      ALA  81  10.998  -3.820   1.470
  596    HB2  ALA  81           HB2      ALA  81  12.240  -3.181   0.393
  597    HB3  ALA  81           HB3      ALA  81  10.992  -2.110   1.038
  598    H    LEU  82           HN       LEU  82  11.921  -0.197   2.663
  599    HA   LEU  82           HA       LEU  82  14.203   0.771   1.246
  600    HB2  LEU  82           HB2      LEU  82  12.029   2.242   2.708
  601    HB3  LEU  82           HB1      LEU  82  13.357   3.054   1.906
  602    HG   LEU  82           HG       LEU  82  11.265   1.331   0.571
  603   HD11  LEU  82          HD11      LEU  82  10.549   3.426  -0.447
  604   HD12  LEU  82          HD12      LEU  82  11.757   4.301   0.494
  605   HD13  LEU  82          HD13      LEU  82  10.421   3.487   1.311
  606   HD21  LEU  82          HD21      LEU  82  13.436   1.152  -0.550
  607   HD22  LEU  82          HD22      LEU  82  13.546   2.910  -0.627
  608   HD23  LEU  82          HD23      LEU  82  12.285   2.064  -1.527
  609    H    ALA  83           HN       ALA  83  13.677  -0.063   4.480
  610    HA   ALA  83           HA       ALA  83  15.669   1.667   5.590
  611    HB1  ALA  83           HB1      ALA  83  14.599  -0.970   6.622
  612    HB2  ALA  83           HB2      ALA  83  13.950   0.623   7.010
  613    HB3  ALA  83           HB3      ALA  83  15.570   0.174   7.547
  614    H    GLU  84           HN       GLU  84  15.650  -1.128   3.707
  615    HA   GLU  84           HA       GLU  84  18.442  -1.809   4.268
  616    HB2  GLU  84           HB2      GLU  84  16.452  -3.153   2.440
  617    HB3  GLU  84           HB1      GLU  84  18.008  -3.788   2.959
  618    HG2  GLU  84           HG2      GLU  84  17.180  -3.888   5.258
  619    HG3  GLU  84           HG1      GLU  84  15.611  -3.306   4.702
  620    H    ALA  85           HN       ALA  85  16.923   0.440   2.554
  621    HA   ALA  85           HA       ALA  85  18.446   0.030   0.093
  622    HB1  ALA  85           HB1      ALA  85  16.789   1.416  -1.029
  623    HB2  ALA  85           HB2      ALA  85  15.920   1.627   0.492
  624    HB3  ALA  85           HB3      ALA  85  16.028   0.028  -0.250
  625    H    ALA  86           HN       ALA  86  19.591   1.676  -0.739
  626    HA   ALA  86           HA       ALA  86  19.631   4.288   0.397
  627    HB1  ALA  86           HB1      ALA  86  22.059   2.484   0.610
  628    HB2  ALA  86           HB2      ALA  86  21.126   3.120   1.965
  629    HB3  ALA  86           HB3      ALA  86  22.047   4.217   0.934
  630   H282  PNS  87          H28A      PNS  87  -9.143 -12.750  -1.749
  631   H281  PNS  87          H28B      PNS  87  -7.976 -14.034  -1.454
  632   H303  PNS  87          H30A      PNS  87  -9.420 -15.474  -0.232
  633   H302  PNS  87          H30B      PNS  87 -10.748 -14.363  -0.569
  634   H301  PNS  87          H30C      PNS  87 -10.427 -14.878   1.089
  635   H313  PNS  87          H31A      PNS  87  -7.221 -13.042   1.403
  636   H312  PNS  87          H31B      PNS  87  -7.420 -14.733   0.938
  637   H311  PNS  87          H31C      PNS  87  -8.366 -14.066   2.271
  638    H32  PNS  87          H32A      PNS  87  -9.177 -11.332   0.856
  639    H33  PNS  87          H33A      PNS  87 -10.454 -11.569   2.684
  640    H36  PNS  87          H36A      PNS  87 -11.981 -11.602   1.916
  641   H372  PNS  87          H37A      PNS  87 -13.546 -10.242   0.276
  642   H371  PNS  87          H37B      PNS  87 -13.684 -11.862  -0.400
  643   H382  PNS  87          H38A      PNS  87 -14.390 -12.714   1.778
  644   H381  PNS  87          H38B      PNS  87 -14.336 -11.076   2.431
  645    H41  PNS  87          H41A      PNS  87 -15.379 -10.717  -0.666
  646   H422  PNS  87          H42A      PNS  87 -18.119 -11.508  -0.374
  647   H421  PNS  87          H42B      PNS  87 -17.838  -9.760  -0.338
  648   H431  PNS  87          H43A      PNS  87 -16.789  -9.877  -2.503
  649   H432  PNS  87          H43B      PNS  87 -18.385 -10.636  -2.604
  650    H44  PNS  87           H1       PNS  87 -15.368 -12.261  -2.397
  Start of MODEL   19
    1    H1   MET   1           HT1      MET   1  20.043   7.726   1.088
    2    H2   MET   1           HT2      MET   1  20.864   8.295   2.473
    3    H3   MET   1           HT3      MET   1  19.462   9.086   1.914
    4    HA   MET   1           HA       MET   1  19.552   6.313   2.863
    5    HB2  MET   1           HB2      MET   1  19.918   7.898   4.715
    6    HB3  MET   1           HB1      MET   1  18.517   8.830   4.215
    7    HG2  MET   1           HG2      MET   1  17.045   7.005   4.793
    8    HG3  MET   1           HG1      MET   1  18.419   5.976   5.171
    9    HE1  MET   1           HE1      MET   1  17.302   9.722   7.656
   10    HE2  MET   1           HE2      MET   1  16.404   9.202   6.230
   11    HE3  MET   1           HE3      MET   1  18.053   9.807   6.063
   12    H    ALA   2           HN       ALA   2  17.632   5.220   2.685
   13    HA   ALA   2           HA       ALA   2  16.001   5.834   0.525
   14    HB1  ALA   2           HB1      ALA   2  16.352   3.575   1.385
   15    HB2  ALA   2           HB2      ALA   2  14.638   3.968   1.229
   16    HB3  ALA   2           HB3      ALA   2  15.405   3.982   2.816
   17    H    THR   3           HN       THR   3  14.144   6.775   0.262
   18    HA   THR   3           HA       THR   3  13.218   8.638   2.235
   19    HB   THR   3           HB       THR   3  12.137   7.927  -0.430
   20    HG1  THR   3           HG1      THR   3  14.241   9.678   0.360
   21   HG21  THR   3          HG21      THR   3  11.365  10.297  -0.460
   22   HG22  THR   3          HG22      THR   3  12.016  10.501   1.165
   23   HG23  THR   3          HG23      THR   3  10.675   9.390   0.888
   24    H    LEU   4           HN       LEU   4  12.001   7.732   3.838
   25    HA   LEU   4           HA       LEU   4  10.180   5.535   3.379
   26    HB2  LEU   4           HB2      LEU   4  10.339   7.385   5.768
   27    HB3  LEU   4           HB1      LEU   4   9.539   5.833   5.671
   28    HG   LEU   4           HG       LEU   4  12.526   6.246   5.501
   29   HD11  LEU   4          HD11      LEU   4  10.831   5.168   7.743
   30   HD12  LEU   4          HD12      LEU   4  11.688   6.709   7.726
   31   HD13  LEU   4          HD13      LEU   4  12.592   5.194   7.697
   32   HD21  LEU   4          HD21      LEU   4  10.892   3.710   5.631
   33   HD22  LEU   4          HD22      LEU   4  12.651   3.799   5.684
   34   HD23  LEU   4          HD23      LEU   4  11.785   4.297   4.229
   35    H    LEU   5           HN       LEU   5   8.200   5.728   2.632
   36    HA   LEU   5           HA       LEU   5   7.289   8.367   2.032
   37    HB2  LEU   5           HB2      LEU   5   5.583   7.289   0.648
   38    HB3  LEU   5           HB1      LEU   5   7.202   6.695   0.356
   39    HG   LEU   5           HG       LEU   5   6.513   4.709   1.860
   40   HD11  LEU   5          HD11      LEU   5   3.809   5.700   1.006
   41   HD12  LEU   5          HD12      LEU   5   4.423   5.616   2.661
   42   HD13  LEU   5          HD13      LEU   5   4.159   4.137   1.742
   43   HD21  LEU   5          HD21      LEU   5   7.021   4.554  -0.500
   44   HD22  LEU   5          HD22      LEU   5   5.383   5.072  -0.899
   45   HD23  LEU   5          HD23      LEU   5   5.646   3.533  -0.083
   46    H    THR   6           HN       THR   6   5.161   9.167   2.476
   47    HA   THR   6           HA       THR   6   4.637   8.773   5.286
   48    HB   THR   6           HB       THR   6   3.093  10.700   5.047
   49    HG1  THR   6           HG1      THR   6   3.989  10.680   2.323
   50   HG21  THR   6          HG21      THR   6   5.458  11.097   5.556
   51   HG22  THR   6          HG22      THR   6   4.807  12.386   4.540
   52   HG23  THR   6          HG23      THR   6   5.828  11.134   3.832
   53    H    THR   7           HN       THR   7   2.120   9.097   5.822
   54    HA   THR   7           HA       THR   7   0.856   6.791   4.739
   55    HB   THR   7           HB       THR   7  -0.360   8.788   6.671
   56    HG1  THR   7           HG1      THR   7   0.641   7.136   8.216
   57   HG21  THR   7          HG21      THR   7  -1.472   6.770   7.527
   58   HG22  THR   7          HG22      THR   7  -0.605   5.786   6.350
   59   HG23  THR   7          HG23      THR   7  -1.792   6.970   5.805
   60    H    ASP   8           HN       ASP   8   1.043  10.088   4.040
   61    HA   ASP   8           HA       ASP   8  -1.463  10.305   2.636
   62    HB2  ASP   8           HB2      ASP   8   1.030  12.027   2.454
   63    HB3  ASP   8           HB1      ASP   8  -0.495  12.386   1.664
   64    H    ASP   9           HN       ASP   9   1.891   9.607   1.940
   65    HA   ASP   9           HA       ASP   9   1.626   9.325  -0.871
   66    HB2  ASP   9           HB2      ASP   9   3.627   8.062   1.020
   67    HB3  ASP   9           HB1      ASP   9   3.684   7.856  -0.723
   68    H    LEU  10           HN       LEU  10   1.467   7.031   1.782
   69    HA   LEU  10           HA       LEU  10   0.905   4.700   0.399
   70    HB2  LEU  10           HB2      LEU  10   1.280   4.812   2.818
   71    HB3  LEU  10           HB1      LEU  10  -0.243   5.651   3.026
   72    HG   LEU  10           HG       LEU  10  -1.423   3.619   2.223
   73   HD11  LEU  10          HD11      LEU  10   1.310   2.356   2.360
   74   HD12  LEU  10          HD12      LEU  10   0.362   2.637   0.901
   75   HD13  LEU  10          HD13      LEU  10  -0.215   1.502   2.121
   76   HD21  LEU  10          HD21      LEU  10  -1.087   2.332   4.276
   77   HD22  LEU  10          HD22      LEU  10  -1.166   4.064   4.597
   78   HD23  LEU  10          HD23      LEU  10   0.392   3.238   4.599
   79    H    ARG  11           HN       ARG  11  -1.313   7.213   1.513
   80    HA   ARG  11           HA       ARG  11  -3.716   6.100   0.620
   81    HB2  ARG  11           HB2      ARG  11  -3.576   7.978   2.189
   82    HB3  ARG  11           HB1      ARG  11  -2.968   9.009   0.905
   83    HG2  ARG  11           HG2      ARG  11  -5.126   8.634  -0.305
   84    HG3  ARG  11           HG1      ARG  11  -5.713   7.793   1.135
   85    HD2  ARG  11           HD2      ARG  11  -6.453  10.078   1.209
   86    HD3  ARG  11           HD1      ARG  11  -5.229   9.831   2.456
   87    HE   ARG  11           HE       ARG  11  -4.683  11.060  -0.154
   88   HH11  ARG  11          HH11      ARG  11  -4.335  11.117   3.393
   89   HH12  ARG  11          HH12      ARG  11  -3.145  12.348   3.372
   90   HH21  ARG  11          HH21      ARG  11  -3.035  12.749  -0.125
   91   HH22  ARG  11          HH22      ARG  11  -2.469  13.333   1.368
   92    H    ARG  12           HN       ARG  12  -1.768   8.689  -0.948
   93    HA   ARG  12           HA       ARG  12  -3.339   8.935  -3.244
   94    HB2  ARG  12           HB2      ARG  12  -1.413  10.031  -4.342
   95    HB3  ARG  12           HB1      ARG  12  -1.696  10.642  -2.720
   96    HG2  ARG  12           HG2      ARG  12   0.157   9.399  -1.864
   97    HG3  ARG  12           HG1      ARG  12   0.310   8.560  -3.411
   98    HD2  ARG  12           HD2      ARG  12   0.689  11.536  -3.045
   99    HD3  ARG  12           HD1      ARG  12   2.011  10.375  -3.011
  100    HE   ARG  12           HE       ARG  12   0.661   9.894  -5.355
  101   HH11  ARG  12          HH11      ARG  12   2.621  12.512  -3.979
  102   HH12  ARG  12          HH12      ARG  12   2.931  13.257  -5.467
  103   HH21  ARG  12          HH21      ARG  12   1.164  10.888  -7.447
  104   HH22  ARG  12          HH22      ARG  12   2.060  12.327  -7.468
  105    H    ALA  13           HN       ALA  13  -0.679   6.749  -2.667
  106    HA   ALA  13           HA       ALA  13  -0.399   5.764  -5.284
  107    HB1  ALA  13           HB1      ALA  13   0.155   4.426  -2.636
  108    HB2  ALA  13           HB2      ALA  13   1.270   5.471  -3.519
  109    HB3  ALA  13           HB3      ALA  13   0.784   3.920  -4.204
  110    H    LEU  14           HN       LEU  14  -2.126   4.559  -2.493
  111    HA   LEU  14           HA       LEU  14  -3.173   2.227  -3.637
  112    HB2  LEU  14           HB2      LEU  14  -2.772   2.648  -1.426
  113    HB3  LEU  14           HB1      LEU  14  -3.979   3.919  -1.280
  114    HG   LEU  14           HG       LEU  14  -5.694   2.053  -1.823
  115   HD11  LEU  14          HD11      LEU  14  -4.087   0.422  -2.651
  116   HD12  LEU  14          HD12      LEU  14  -4.983  -0.207  -1.268
  117   HD13  LEU  14          HD13      LEU  14  -3.326   0.359  -1.062
  118   HD21  LEU  14          HD21      LEU  14  -4.140   1.885   0.755
  119   HD22  LEU  14          HD22      LEU  14  -5.812   1.365   0.493
  120   HD23  LEU  14          HD23      LEU  14  -5.391   3.068   0.390
  121    H    VAL  15           HN       VAL  15  -4.514   5.460  -3.162
  122    HA   VAL  15           HA       VAL  15  -7.088   5.063  -4.188
  123    HB   VAL  15           HB       VAL  15  -5.355   7.575  -4.147
  124   HG11  VAL  15          HG11      VAL  15  -8.323   7.383  -4.679
  125   HG12  VAL  15          HG12      VAL  15  -7.095   7.796  -5.873
  126   HG13  VAL  15          HG13      VAL  15  -7.392   8.868  -4.502
  127   HG21  VAL  15          HG21      VAL  15  -5.918   6.702  -1.952
  128   HG22  VAL  15          HG22      VAL  15  -7.627   6.684  -2.380
  129   HG23  VAL  15          HG23      VAL  15  -6.764   8.218  -2.256
  130    H    GLU  16           HN       GLU  16  -4.053   5.901  -5.829
  131    HA   GLU  16           HA       GLU  16  -5.337   6.255  -8.352
  132    HB2  GLU  16           HB2      GLU  16  -3.127   7.290  -7.632
  133    HB3  GLU  16           HB1      GLU  16  -2.404   5.718  -7.951
  134    HG2  GLU  16           HG2      GLU  16  -3.179   5.839 -10.272
  135    HG3  GLU  16           HG1      GLU  16  -3.883   7.417  -9.922
  136    H    SER  17           HN       SER  17  -3.667   3.556  -6.754
  137    HA   SER  17           HA       SER  17  -3.718   1.850  -8.969
  138    HB2  SER  17           HB2      SER  17  -3.520   1.308  -6.009
  139    HB3  SER  17           HB1      SER  17  -3.325   0.072  -7.252
  140    HG   SER  17           HG       SER  17  -1.382   0.779  -7.630
  141    H    ALA  18           HN       ALA  18  -6.199   2.867  -6.860
  142    HA   ALA  18           HA       ALA  18  -7.984   0.692  -7.416
  143    HB1  ALA  18           HB1      ALA  18  -9.725   2.195  -6.509
  144    HB2  ALA  18           HB2      ALA  18  -8.555   3.519  -6.487
  145    HB3  ALA  18           HB3      ALA  18  -8.322   2.119  -5.441
  146    H    GLY  19           HN       GLY  19  -7.399   3.933  -8.642
  147    HA2  GLY  19           HA2      GLY  19  -7.420   4.354 -10.986
  148    HA3  GLY  19           HA1      GLY  19  -8.669   3.122 -11.156
  149    H    GLU  20           HN       GLU  20 -10.538   3.952 -11.623
  150    HA   GLU  20           HA       GLU  20 -11.068   6.682 -10.899
  151    HB2  GLU  20           HB2      GLU  20 -13.125   6.468 -12.244
  152    HB3  GLU  20           HB1      GLU  20 -11.665   6.069 -13.134
  153    HG2  GLU  20           HG2      GLU  20 -12.167   3.673 -12.781
  154    HG3  GLU  20           HG1      GLU  20 -13.684   4.145 -12.012
  155    H    THR  21           HN       THR  21 -11.435   3.912  -9.366
  156    HA   THR  21           HA       THR  21 -13.886   4.603  -7.981
  157    HB   THR  21           HB       THR  21 -13.266   2.591  -6.623
  158    HG1  THR  21           HG1      THR  21 -11.777   1.243  -8.323
  159   HG21  THR  21          HG21      THR  21 -13.756   2.263  -9.587
  160   HG22  THR  21          HG22      THR  21 -14.982   2.504  -8.340
  161   HG23  THR  21          HG23      THR  21 -14.046   1.009  -8.382
  162    H    ASP  22           HN       ASP  22 -12.102   6.468  -7.764
  163    HA   ASP  22           HA       ASP  22 -10.587   6.237  -5.286
  164    HB2  ASP  22           HB2      ASP  22  -9.435   8.155  -5.886
  165    HB3  ASP  22           HB1      ASP  22  -9.876   7.560  -7.474
  166    H    GLY  23           HN       GLY  23 -10.982   7.609  -3.520
  167    HA2  GLY  23           HA2      GLY  23 -12.133   9.337  -2.436
  168    HA3  GLY  23           HA1      GLY  23 -13.414   9.230  -3.636
  169    H    THR  24           HN       THR  24 -12.306   8.281  -0.595
  170    HA   THR  24           HA       THR  24 -14.744   7.383   0.279
  171    HB   THR  24           HB       THR  24 -14.088   5.259  -0.933
  172    HG1  THR  24           HG1      THR  24 -15.204   4.568   0.666
  173   HG21  THR  24          HG21      THR  24 -12.161   3.935  -0.140
  174   HG22  THR  24          HG22      THR  24 -11.691   5.262   0.920
  175   HG23  THR  24          HG23      THR  24 -11.648   5.478  -0.831
  176    H    ASP  25           HN       ASP  25 -14.040   6.417   2.669
  177    HA   ASP  25           HA       ASP  25 -12.138   8.393   3.564
  178    HB2  ASP  25           HB2      ASP  25 -13.733   6.380   5.171
  179    HB3  ASP  25           HB1      ASP  25 -12.578   7.500   5.885
  180    H    LEU  26           HN       LEU  26 -10.332   7.863   2.691
  181    HA   LEU  26           HA       LEU  26  -8.989   5.446   3.687
  182    HB2  LEU  26           HB2      LEU  26  -9.793   5.422   1.246
  183    HB3  LEU  26           HB1      LEU  26  -8.660   6.718   0.966
  184    HG   LEU  26           HG       LEU  26  -6.801   5.213   1.580
  185   HD11  LEU  26          HD11      LEU  26  -8.024   3.720   3.079
  186   HD12  LEU  26          HD12      LEU  26  -7.232   2.813   1.788
  187   HD13  LEU  26          HD13      LEU  26  -8.968   3.114   1.716
  188   HD21  LEU  26          HD21      LEU  26  -7.473   5.484  -0.749
  189   HD22  LEU  26          HD22      LEU  26  -8.641   4.174  -0.574
  190   HD23  LEU  26          HD23      LEU  26  -6.914   3.841  -0.441
  191    H    SER  27           HN       SER  27  -9.186   8.274   4.531
  192    HA   SER  27           HA       SER  27  -6.373   9.049   4.323
  193    HB2  SER  27           HB2      SER  27  -7.949  10.454   2.887
  194    HB3  SER  27           HB1      SER  27  -8.736  10.935   4.386
  195    HG   SER  27           HG       SER  27  -7.224  12.432   3.677
  196    H    GLY  28           HN       GLY  28  -5.513   9.635   6.308
  197    HA2  GLY  28           HA2      GLY  28  -5.572  10.250   8.564
  198    HA3  GLY  28           HA1      GLY  28  -7.316  10.005   8.569
  199    H    ASP  29           HN       ASP  29  -7.974   8.286   9.669
  200    HA   ASP  29           HA       ASP  29  -6.037   6.201  10.251
  201    HB2  ASP  29           HB2      ASP  29  -8.840   6.607  11.303
  202    HB3  ASP  29           HB1      ASP  29  -7.811   5.252  11.737
  203    H    PHE  30           HN       PHE  30  -5.845   5.180   8.371
  204    HA   PHE  30           HA       PHE  30  -8.123   3.435   7.748
  205    HB2  PHE  30           HB2      PHE  30  -7.678   3.582   5.360
  206    HB3  PHE  30           HB1      PHE  30  -7.945   5.196   5.998
  207    HD1  PHE  30           HD1      PHE  30  -5.853   6.633   6.455
  208    HD2  PHE  30           HD2      PHE  30  -5.786   3.075   4.126
  209    HE1  PHE  30           HE1      PHE  30  -3.768   7.370   5.385
  210    HE2  PHE  30           HE2      PHE  30  -3.699   3.805   3.060
  211    HZ   PHE  30           HZ       PHE  30  -2.689   5.955   3.690
  212    H    LEU  31           HN       LEU  31  -5.490   3.358   9.247
  213    HA   LEU  31           HA       LEU  31  -3.784   1.704   7.669
  214    HB2  LEU  31           HB2      LEU  31  -3.642   2.467  10.580
  215    HB3  LEU  31           HB1      LEU  31  -2.487   1.403   9.813
  216    HG   LEU  31           HG       LEU  31  -1.487   3.531   9.971
  217   HD11  LEU  31          HD11      LEU  31  -0.994   2.391   7.939
  218   HD12  LEU  31          HD12      LEU  31  -1.042   4.133   7.656
  219   HD13  LEU  31          HD13      LEU  31  -2.392   3.118   7.148
  220   HD21  LEU  31          HD21      LEU  31  -3.891   4.714   8.582
  221   HD22  LEU  31          HD22      LEU  31  -2.429   5.592   9.048
  222   HD23  LEU  31          HD23      LEU  31  -3.483   4.914  10.287
  223    H    ASP  32           HN       ASP  32  -6.208   1.101  10.114
  224    HA   ASP  32           HA       ASP  32  -5.598  -1.765   9.883
  225    HB2  ASP  32           HB2      ASP  32  -6.953  -2.164  11.873
  226    HB3  ASP  32           HB1      ASP  32  -5.718  -0.961  12.204
  227    H    LEU  33           HN       LEU  33  -7.328   0.302   8.272
  228    HA   LEU  33           HA       LEU  33  -9.889  -0.952   8.128
  229    HB2  LEU  33           HB2      LEU  33  -9.512   1.413   7.526
  230    HB3  LEU  33           HB1      LEU  33  -8.462   0.911   6.220
  231    HG   LEU  33           HG       LEU  33 -10.401  -0.157   5.111
  232   HD11  LEU  33          HD11      LEU  33 -12.662   0.358   5.889
  233   HD12  LEU  33          HD12      LEU  33 -11.992   1.133   7.324
  234   HD13  LEU  33          HD13      LEU  33 -11.773  -0.598   7.076
  235   HD21  LEU  33          HD21      LEU  33  -9.705   2.097   4.517
  236   HD22  LEU  33          HD22      LEU  33 -10.731   2.762   5.789
  237   HD23  LEU  33          HD23      LEU  33 -11.458   1.933   4.411
  238    H    ARG  34           HN       ARG  34 -10.043  -2.942   7.405
  239    HA   ARG  34           HA       ARG  34  -7.943  -4.162   5.931
  240    HB2  ARG  34           HB2      ARG  34 -10.704  -5.225   6.460
  241    HB3  ARG  34           HB1      ARG  34  -9.339  -6.148   5.856
  242    HG2  ARG  34           HG2      ARG  34  -8.136  -5.680   7.924
  243    HG3  ARG  34           HG1      ARG  34  -9.570  -4.864   8.574
  244    HD2  ARG  34           HD2      ARG  34  -9.236  -7.758   7.806
  245    HD3  ARG  34           HD1      ARG  34  -9.605  -7.102   9.400
  246    HE   ARG  34           HE       ARG  34 -11.747  -6.371   8.435
  247   HH11  ARG  34          HH11      ARG  34 -10.033  -9.221   7.161
  248   HH12  ARG  34          HH12      ARG  34 -11.380  -9.827   6.322
  249   HH21  ARG  34          HH21      ARG  34 -13.622  -7.241   7.229
  250   HH22  ARG  34          HH22      ARG  34 -13.404  -8.697   6.339
  251    H    PHE  35           HN       PHE  35  -7.654  -4.440   3.909
  252    HA   PHE  35           HA       PHE  35  -8.936  -3.007   1.922
  253    HB2  PHE  35           HB2      PHE  35  -7.295  -5.518   1.694
  254    HB3  PHE  35           HB1      PHE  35  -7.792  -4.533   0.325
  255    HD1  PHE  35           HD2      PHE  35  -7.215  -1.929   0.695
  256    HD2  PHE  35           HD1      PHE  35  -5.178  -5.218   2.449
  257    HE1  PHE  35           HE2      PHE  35  -5.193  -0.553   0.934
  258    HE2  PHE  35           HE1      PHE  35  -3.159  -3.848   2.693
  259    HZ   PHE  35           HZ       PHE  35  -3.163  -1.513   1.927
  260    H    GLU  36           HN       GLU  36  -9.559  -6.211   3.087
  261    HA   GLU  36           HA       GLU  36 -11.180  -7.269   1.084
  262    HB2  GLU  36           HB2      GLU  36 -10.362  -8.546   3.018
  263    HB3  GLU  36           HB1      GLU  36 -11.436  -7.637   4.070
  264    HG2  GLU  36           HG2      GLU  36 -13.350  -8.522   2.698
  265    HG3  GLU  36           HG1      GLU  36 -12.186  -9.596   1.923
  266    H    ASP  37           HN       ASP  37 -11.962  -5.038   3.699
  267    HA   ASP  37           HA       ASP  37 -14.798  -5.254   3.374
  268    HB2  ASP  37           HB2      ASP  37 -13.791  -4.672   5.536
  269    HB3  ASP  37           HB1      ASP  37 -13.173  -3.176   4.844
  270    H    ILE  38           HN       ILE  38 -12.303  -3.042   2.339
  271    HA   ILE  38           HA       ILE  38 -14.282  -1.297   1.160
  272    HB   ILE  38           HB       ILE  38 -12.342   0.157   0.515
  273   HG12  ILE  38          HG12      ILE  38 -10.791  -1.824   2.217
  274   HG13  ILE  38          HG11      ILE  38 -10.600  -1.600   0.485
  275   HG21  ILE  38          HG21      ILE  38 -12.686  -0.554   3.419
  276   HG22  ILE  38          HG22      ILE  38 -13.676   0.568   2.488
  277   HG23  ILE  38          HG23      ILE  38 -11.982   0.947   2.815
  278   HD11  ILE  38          HD11      ILE  38  -8.809  -0.523   1.723
  279   HD12  ILE  38          HD12      ILE  38  -9.989   0.443   2.614
  280   HD13  ILE  38          HD13      ILE  38  -9.791   0.672   0.875
  281    H    GLY  39           HN       GLY  39 -13.648  -3.995   0.114
  282    HA2  GLY  39           HA2      GLY  39 -14.029  -4.930  -1.966
  283    HA3  GLY  39           HA1      GLY  39 -14.162  -3.308  -2.610
  284    H    TYR  40           HN       TYR  40 -11.199  -3.910  -0.978
  285    HA   TYR  40           HA       TYR  40  -9.829  -3.778  -3.494
  286    HB2  TYR  40           HB2      TYR  40  -9.174  -3.337  -0.663
  287    HB3  TYR  40           HB1      TYR  40  -7.897  -3.961  -1.687
  288    HD1  TYR  40           HD1      TYR  40 -10.401  -1.266  -1.451
  289    HD2  TYR  40           HD2      TYR  40  -6.612  -2.440  -2.949
  290    HE1  TYR  40           HE1      TYR  40 -10.064   0.988  -2.220
  291    HE2  TYR  40           HE2      TYR  40  -6.208  -0.150  -3.751
  292    HH   TYR  40           HH       TYR  40  -8.288   2.508  -2.948
  293    H    ASP  41           HN       ASP  41  -9.216  -5.464  -4.499
  294    HA   ASP  41           HA       ASP  41  -9.011  -8.051  -3.192
  295    HB2  ASP  41           HB2      ASP  41  -8.392  -7.264  -6.060
  296    HB3  ASP  41           HB1      ASP  41  -8.424  -8.905  -5.437
  297    H    SER  42           HN       SER  42  -7.062  -9.158  -2.974
  298    HA   SER  42           HA       SER  42  -4.818  -7.659  -2.353
  299    HB2  SER  42           HB2      SER  42  -4.890 -10.594  -3.054
  300    HB3  SER  42           HB1      SER  42  -3.714  -9.773  -2.011
  301    H    LEU  43           HN       LEU  43  -5.839  -8.819  -5.405
  302    HA   LEU  43           HA       LEU  43  -3.385  -8.748  -6.823
  303    HB2  LEU  43           HB2      LEU  43  -6.205  -8.241  -7.786
  304    HB3  LEU  43           HB1      LEU  43  -4.826  -8.482  -8.837
  305    HG   LEU  43           HG       LEU  43  -5.903 -10.549  -6.914
  306   HD11  LEU  43          HD11      LEU  43  -7.474 -10.115  -8.719
  307   HD12  LEU  43          HD12      LEU  43  -6.713 -11.695  -8.917
  308   HD13  LEU  43          HD13      LEU  43  -6.189 -10.332  -9.907
  309   HD21  LEU  43          HD21      LEU  43  -3.811 -10.740  -9.085
  310   HD22  LEU  43          HD22      LEU  43  -4.420 -12.083  -8.114
  311   HD23  LEU  43          HD23      LEU  43  -3.507 -10.780  -7.348
  312    H    ALA  44           HN       ALA  44  -5.803  -6.309  -6.016
  313    HA   ALA  44           HA       ALA  44  -4.656  -4.198  -7.559
  314    HB1  ALA  44           HB1      ALA  44  -6.234  -2.766  -6.359
  315    HB2  ALA  44           HB2      ALA  44  -6.595  -4.082  -5.242
  316    HB3  ALA  44           HB3      ALA  44  -7.037  -4.224  -6.943
  317    H    LEU  45           HN       LEU  45  -4.074  -5.593  -4.499
  318    HA   LEU  45           HA       LEU  45  -2.873  -3.340  -3.287
  319    HB2  LEU  45           HB2      LEU  45  -2.430  -6.256  -2.662
  320    HB3  LEU  45           HB1      LEU  45  -2.045  -4.905  -1.614
  321    HG   LEU  45           HG       LEU  45  -4.778  -5.825  -2.446
  322   HD11  LEU  45          HD11      LEU  45  -3.386  -5.772   0.214
  323   HD12  LEU  45          HD12      LEU  45  -3.734  -7.206  -0.758
  324   HD13  LEU  45          HD13      LEU  45  -5.057  -6.263  -0.064
  325   HD21  LEU  45          HD21      LEU  45  -3.958  -3.479  -0.762
  326   HD22  LEU  45          HD22      LEU  45  -5.612  -4.051  -0.991
  327   HD23  LEU  45          HD23      LEU  45  -4.697  -3.405  -2.360
  328    H    MET  46           HN       MET  46  -1.820  -6.020  -5.249
  329    HA   MET  46           HA       MET  46   0.987  -5.650  -5.074
  330    HB2  MET  46           HB2      MET  46  -0.658  -6.754  -7.372
  331    HB3  MET  46           HB1      MET  46   1.078  -6.936  -7.187
  332    HG2  MET  46           HG2      MET  46   0.788  -8.306  -5.247
  333    HG3  MET  46           HG1      MET  46  -0.948  -7.998  -5.241
  334    HE1  MET  46           HE1      MET  46  -0.913 -11.768  -6.279
  335    HE2  MET  46           HE2      MET  46  -1.637 -10.550  -5.229
  336    HE3  MET  46           HE3      MET  46   0.071 -10.953  -5.062
  337    H    GLU  47           HN       GLU  47  -1.489  -4.507  -7.280
  338    HA   GLU  47           HA       GLU  47  -0.004  -2.850  -8.955
  339    HB2  GLU  47           HB2      GLU  47  -2.254  -3.423  -9.492
  340    HB3  GLU  47           HB1      GLU  47  -2.847  -2.818  -7.971
  341    HG2  GLU  47           HG2      GLU  47  -3.482  -1.436  -9.919
  342    HG3  GLU  47           HG1      GLU  47  -2.612  -0.555  -8.674
  343    H    THR  48           HN       THR  48  -1.259  -2.282  -5.755
  344    HA   THR  48           HA       THR  48  -0.689   0.488  -5.600
  345    HB   THR  48           HB       THR  48  -0.914  -1.571  -3.389
  346    HG1  THR  48           HG1      THR  48  -2.820  -1.430  -4.742
  347   HG21  THR  48          HG21      THR  48  -1.236   1.443  -3.339
  348   HG22  THR  48          HG22      THR  48   0.115   0.544  -2.646
  349   HG23  THR  48          HG23      THR  48  -1.505   0.358  -1.974
  350    H    ALA  49           HN       ALA  49   1.036  -2.369  -4.282
  351    HA   ALA  49           HA       ALA  49   3.255  -0.951  -3.320
  352    HB1  ALA  49           HB1      ALA  49   3.118  -3.842  -4.161
  353    HB2  ALA  49           HB2      ALA  49   2.665  -3.211  -2.578
  354    HB3  ALA  49           HB3      ALA  49   4.342  -3.113  -3.120
  355    H    ALA  50           HN       ALA  50   2.603  -2.398  -6.447
  356    HA   ALA  50           HA       ALA  50   5.080  -2.455  -7.625
  357    HB1  ALA  50           HB1      ALA  50   2.486  -1.739  -8.975
  358    HB2  ALA  50           HB2      ALA  50   3.039  -3.375  -8.612
  359    HB3  ALA  50           HB3      ALA  50   3.935  -2.373  -9.756
  360    H    ARG  51           HN       ARG  51   2.875   0.331  -7.519
  361    HA   ARG  51           HA       ARG  51   4.578   1.962  -9.119
  362    HB2  ARG  51           HB2      ARG  51   3.179   3.828  -8.544
  363    HB3  ARG  51           HB1      ARG  51   2.148   2.433  -8.816
  364    HG2  ARG  51           HG2      ARG  51   1.864   2.136  -6.433
  365    HG3  ARG  51           HG1      ARG  51   2.988   3.456  -6.113
  366    HD2  ARG  51           HD2      ARG  51   0.779   4.291  -5.869
  367    HD3  ARG  51           HD1      ARG  51   1.456   4.964  -7.348
  368    HE   ARG  51           HE       ARG  51  -0.530   2.824  -7.159
  369   HH11  ARG  51          HH11      ARG  51   0.968   5.544  -8.892
  370   HH12  ARG  51          HH12      ARG  51  -0.068   5.446 -10.230
  371   HH21  ARG  51          HH21      ARG  51  -1.845   2.606  -9.110
  372   HH22  ARG  51          HH22      ARG  51  -1.640   3.707 -10.411
  373    H    LEU  52           HN       LEU  52   4.408   1.251  -5.751
  374    HA   LEU  52           HA       LEU  52   6.032   3.456  -4.924
  375    HB2  LEU  52           HB2      LEU  52   5.258   0.936  -3.452
  376    HB3  LEU  52           HB1      LEU  52   6.038   2.330  -2.730
  377    HG   LEU  52           HG       LEU  52   3.273   2.302  -3.947
  378   HD11  LEU  52          HD11      LEU  52   2.493   2.616  -1.656
  379   HD12  LEU  52          HD12      LEU  52   4.151   2.459  -1.074
  380   HD13  LEU  52          HD13      LEU  52   3.356   1.090  -1.850
  381   HD21  LEU  52          HD21      LEU  52   3.078   4.566  -3.027
  382   HD22  LEU  52          HD22      LEU  52   4.362   4.464  -4.233
  383   HD23  LEU  52          HD23      LEU  52   4.765   4.502  -2.515
  384    H    GLU  53           HN       GLU  53   6.480   0.070  -5.690
  385    HA   GLU  53           HA       GLU  53   9.181  -0.251  -5.073
  386    HB2  GLU  53           HB2      GLU  53   7.667  -1.319  -7.460
  387    HB3  GLU  53           HB1      GLU  53   9.248  -1.864  -6.951
  388    HG2  GLU  53           HG2      GLU  53   8.262  -2.713  -4.878
  389    HG3  GLU  53           HG1      GLU  53   6.670  -2.185  -5.444
  390    H    SER  54           HN       SER  54   7.661   0.710  -8.104
  391    HA   SER  54           HA       SER  54   9.994   1.264  -9.510
  392    HB2  SER  54           HB2      SER  54   7.829   0.811 -10.569
  393    HB3  SER  54           HB1      SER  54   7.202   2.336  -9.951
  394    HG   SER  54           HG       SER  54   9.207   1.860 -11.858
  395    H    ARG  55           HN       ARG  55   8.059   3.370  -7.407
  396    HA   ARG  55           HA       ARG  55   9.388   5.710  -8.377
  397    HB2  ARG  55           HB2      ARG  55   7.020   5.683  -7.412
  398    HB3  ARG  55           HB1      ARG  55   7.771   5.602  -5.820
  399    HG2  ARG  55           HG2      ARG  55   8.874   7.702  -6.173
  400    HG3  ARG  55           HG1      ARG  55   8.292   7.789  -7.834
  401    HD2  ARG  55           HD2      ARG  55   6.870   9.232  -6.670
  402    HD3  ARG  55           HD1      ARG  55   5.937   7.746  -6.774
  403    HE   ARG  55           HE       ARG  55   7.337   7.687  -4.384
  404   HH11  ARG  55          HH11      ARG  55   4.758   9.650  -5.859
  405   HH12  ARG  55          HH12      ARG  55   4.108  10.173  -4.382
  406   HH21  ARG  55          HH21      ARG  55   6.422   8.472  -2.315
  407   HH22  ARG  55          HH22      ARG  55   5.087   9.512  -2.315
  408    H    TYR  56           HN       TYR  56   9.968   3.519  -5.709
  409    HA   TYR  56           HA       TYR  56  12.025   5.363  -4.716
  410    HB2  TYR  56           HB2      TYR  56  10.549   3.162  -3.308
  411    HB3  TYR  56           HB1      TYR  56  11.955   3.974  -2.623
  412    HD1  TYR  56           HD1      TYR  56  11.834   6.254  -1.897
  413    HD2  TYR  56           HD2      TYR  56   8.431   4.343  -3.563
  414    HE1  TYR  56           HE1      TYR  56  10.415   8.064  -1.063
  415    HE2  TYR  56           HE2      TYR  56   7.006   6.149  -2.723
  416    HH   TYR  56           HH       TYR  56   8.295   9.068  -1.560
  417    H    GLY  57           HN       GLY  57  11.758   2.441  -6.390
  418    HA2  GLY  57           HA2      GLY  57  13.498   1.248  -7.306
  419    HA3  GLY  57           HA1      GLY  57  14.625   2.169  -6.320
  420    H    VAL  58           HN       VAL  58  12.036  -0.206  -5.939
  421    HA   VAL  58           HA       VAL  58  13.778  -1.817  -4.299
  422    HB   VAL  58           HB       VAL  58  12.554  -0.208  -2.750
  423   HG11  VAL  58          HG11      VAL  58  10.092  -1.717  -3.563
  424   HG12  VAL  58          HG12      VAL  58  10.439  -0.010  -3.822
  425   HG13  VAL  58          HG13      VAL  58  10.195  -0.622  -2.190
  426   HG21  VAL  58          HG21      VAL  58  13.462  -2.281  -1.864
  427   HG22  VAL  58          HG22      VAL  58  11.971  -3.133  -2.276
  428   HG23  VAL  58          HG23      VAL  58  11.954  -1.868  -1.053
  429    H    SER  59           HN       SER  59  12.579  -4.021  -3.871
  430    HA   SER  59           HA       SER  59  10.573  -4.466  -5.925
  431    HB2  SER  59           HB2      SER  59  11.717  -6.643  -6.473
  432    HB3  SER  59           HB1      SER  59  12.620  -5.211  -6.954
  433    HG   SER  59           HG       SER  59  13.543  -5.610  -4.629
  434    H    ILE  60           HN       ILE  60   8.877  -5.449  -5.148
  435    HA   ILE  60           HA       ILE  60   9.189  -7.167  -2.805
  436    HB   ILE  60           HB       ILE  60   7.074  -5.021  -3.168
  437   HG12  ILE  60          HG12      ILE  60   9.163  -5.503  -1.031
  438   HG13  ILE  60          HG11      ILE  60   9.180  -4.234  -2.245
  439   HG21  ILE  60          HG21      ILE  60   5.978  -7.048  -2.353
  440   HG22  ILE  60          HG22      ILE  60   6.042  -5.823  -1.085
  441   HG23  ILE  60          HG23      ILE  60   7.165  -7.182  -1.056
  442   HD11  ILE  60          HD11      ILE  60   8.536  -3.385  -0.081
  443   HD12  ILE  60          HD12      ILE  60   7.197  -4.532  -0.013
  444   HD13  ILE  60          HD13      ILE  60   7.200  -3.251  -1.224
  445    HA   PRO  61           HA       PRO  61   7.337 -10.110  -5.529
  446    HB2  PRO  61           HB2      PRO  61   6.787 -11.462  -2.940
  447    HB3  PRO  61           HB1      PRO  61   7.570 -12.091  -4.395
  448    HG2  PRO  61           HG2      PRO  61   9.019 -11.459  -2.272
  449    HG3  PRO  61           HG1      PRO  61   9.596 -11.064  -3.902
  450    HD2  PRO  61           HD2      PRO  61   8.355  -9.285  -1.843
  451    HD3  PRO  61           HD1      PRO  61   9.709  -8.958  -2.949
  452    H    ASP  62           HN       ASP  62   5.423 -10.894  -6.083
  453    HA   ASP  62           HA       ASP  62   3.113  -9.404  -5.913
  454    HB2  ASP  62           HB2      ASP  62   3.175 -12.383  -6.425
  455    HB3  ASP  62           HB1      ASP  62   2.049 -11.196  -7.065
  456    H    ASP  63           HN       ASP  63   3.838 -12.510  -4.445
  457    HA   ASP  63           HA       ASP  63   1.406 -12.933  -3.120
  458    HB2  ASP  63           HB2      ASP  63   4.132 -14.067  -2.478
  459    HB3  ASP  63           HB1      ASP  63   2.620 -14.656  -1.806
  460    H    VAL  64           HN       VAL  64   4.166 -11.137  -2.189
  461    HA   VAL  64           HA       VAL  64   3.637 -10.966   0.614
  462    HB   VAL  64           HB       VAL  64   5.224  -9.181  -1.237
  463   HG11  VAL  64          HG11      VAL  64   4.649  -8.019   0.835
  464   HG12  VAL  64          HG12      VAL  64   6.370  -8.399   0.811
  465   HG13  VAL  64          HG13      VAL  64   5.264  -9.372   1.784
  466   HG21  VAL  64          HG21      VAL  64   7.188 -10.386  -0.367
  467   HG22  VAL  64          HG22      VAL  64   6.066 -11.454  -1.207
  468   HG23  VAL  64          HG23      VAL  64   6.116 -11.437   0.557
  469    H    ALA  65           HN       ALA  65   3.331  -8.618  -2.040
  470    HA   ALA  65           HA       ALA  65   1.872  -6.669  -0.610
  471    HB1  ALA  65           HB1      ALA  65   1.890  -7.205  -3.582
  472    HB2  ALA  65           HB2      ALA  65   3.054  -6.202  -2.717
  473    HB3  ALA  65           HB3      ALA  65   1.360  -5.717  -2.798
  474    H    GLY  66           HN       GLY  66   0.883  -9.413  -2.526
  475    HA2  GLY  66           HA2      GLY  66  -1.928  -8.815  -2.136
  476    HA3  GLY  66           HA1      GLY  66  -1.259 -10.139  -3.079
  477    H    ARG  67           HN       ARG  67  -0.532  -9.270   0.206
  478    HA   ARG  67           HA       ARG  67  -2.031 -11.596   1.192
  479    HB2  ARG  67           HB2      ARG  67   0.260 -12.374   1.139
  480    HB3  ARG  67           HB1      ARG  67   0.827 -10.917   1.937
  481    HG2  ARG  67           HG2      ARG  67  -0.323 -11.565   3.986
  482    HG3  ARG  67           HG1      ARG  67  -0.964 -12.998   3.184
  483    HD2  ARG  67           HD2      ARG  67   0.995 -13.455   4.636
  484    HD3  ARG  67           HD1      ARG  67   1.234 -13.924   2.955
  485    HE   ARG  67           HE       ARG  67   2.645 -12.046   2.663
  486   HH11  ARG  67          HH11      ARG  67   1.862 -12.744   6.077
  487   HH12  ARG  67          HH12      ARG  67   3.197 -11.918   6.703
  488   HH21  ARG  67          HH21      ARG  67   4.542 -10.901   3.551
  489   HH22  ARG  67          HH22      ARG  67   4.760 -10.836   5.216
  490    H    VAL  68           HN       VAL  68  -0.744  -8.424   1.770
  491    HA   VAL  68           HA       VAL  68  -1.370  -8.196   4.488
  492    HB   VAL  68           HB       VAL  68  -1.158  -5.734   4.147
  493   HG11  VAL  68          HG11      VAL  68   0.971  -7.438   2.874
  494   HG12  VAL  68          HG12      VAL  68   0.783  -7.115   4.599
  495   HG13  VAL  68          HG13      VAL  68   1.201  -5.805   3.497
  496   HG21  VAL  68          HG21      VAL  68  -0.716  -6.489   1.248
  497   HG22  VAL  68          HG22      VAL  68  -0.492  -4.877   1.928
  498   HG23  VAL  68          HG23      VAL  68  -2.099  -5.598   1.870
  499    H    ASP  69           HN       ASP  69  -3.108  -7.612   5.599
  500    HA   ASP  69           HA       ASP  69  -5.672  -7.427   4.172
  501    HB2  ASP  69           HB2      ASP  69  -5.228  -7.388   7.169
  502    HB3  ASP  69           HB1      ASP  69  -6.730  -7.687   6.319
  503    H    THR  70           HN       THR  70  -3.455  -5.642   6.142
  504    HA   THR  70           HA       THR  70  -5.259  -3.343   6.147
  505    HB   THR  70           HB       THR  70  -3.947  -2.599   8.164
  506    HG1  THR  70           HG1      THR  70  -2.965  -5.289   8.054
  507   HG21  THR  70          HG21      THR  70  -5.363  -5.265   8.380
  508   HG22  THR  70          HG22      THR  70  -6.135  -3.681   8.395
  509   HG23  THR  70          HG23      THR  70  -5.067  -4.150   9.715
  510    HA   PRO  71           HA       PRO  71  -2.355  -1.069   3.634
  511    HB2  PRO  71           HB2      PRO  71  -3.302   1.251   5.249
  512    HB3  PRO  71           HB1      PRO  71  -3.275   1.042   3.492
  513    HG2  PRO  71           HG2      PRO  71  -5.558   0.878   4.794
  514    HG3  PRO  71           HG1      PRO  71  -5.193  -0.280   3.498
  515    HD2  PRO  71           HD2      PRO  71  -5.015  -0.649   6.468
  516    HD3  PRO  71           HD1      PRO  71  -5.682  -1.746   5.239
  517    H    ARG  72           HN       ARG  72  -2.451  -0.845   7.100
  518    HA   ARG  72           HA       ARG  72  -0.138   0.644   7.610
  519    HB2  ARG  72           HB2      ARG  72  -1.790  -0.049   9.323
  520    HB3  ARG  72           HB1      ARG  72  -1.206  -1.703   9.185
  521    HG2  ARG  72           HG2      ARG  72   1.033  -0.900   9.921
  522    HG3  ARG  72           HG1      ARG  72   0.315   0.690  10.196
  523    HD2  ARG  72           HD2      ARG  72  -0.535  -1.886  11.504
  524    HD3  ARG  72           HD1      ARG  72   0.437  -0.623  12.258
  525    HE   ARG  72           HE       ARG  72  -1.529   0.842  12.042
  526   HH11  ARG  72          HH11      ARG  72  -2.166  -2.645  11.718
  527   HH12  ARG  72          HH12      ARG  72  -3.706  -2.561  12.419
  528   HH21  ARG  72          HH21      ARG  72  -3.571   0.964  12.967
  529   HH22  ARG  72          HH22      ARG  72  -4.511  -0.442  13.246
  530    H    GLU  73           HN       GLU  73  -0.626  -2.793   6.913
  531    HA   GLU  73           HA       GLU  73   2.129  -3.422   7.311
  532    HB2  GLU  73           HB2      GLU  73  -0.078  -5.068   6.074
  533    HB3  GLU  73           HB1      GLU  73   1.540  -5.658   6.431
  534    HG2  GLU  73           HG2      GLU  73  -0.583  -4.787   8.358
  535    HG3  GLU  73           HG1      GLU  73   0.143  -6.385   8.175
  536    H    LEU  74           HN       LEU  74   0.094  -2.640   4.607
  537    HA   LEU  74           HA       LEU  74   1.934  -3.378   2.582
  538    HB2  LEU  74           HB2      LEU  74  -0.555  -2.859   2.310
  539    HB3  LEU  74           HB1      LEU  74  -0.142  -1.168   2.429
  540    HG   LEU  74           HG       LEU  74  -0.619  -2.020   0.127
  541   HD11  LEU  74          HD11      LEU  74   1.245  -0.883  -1.000
  542   HD12  LEU  74          HD12      LEU  74   2.155  -0.893   0.511
  543   HD13  LEU  74          HD13      LEU  74   0.664   0.039   0.387
  544   HD21  LEU  74          HD21      LEU  74   1.989  -3.483   0.473
  545   HD22  LEU  74          HD22      LEU  74   1.120  -3.294  -1.049
  546   HD23  LEU  74          HD23      LEU  74   0.391  -4.201   0.278
  547    H    LEU  75           HN       LEU  75   1.383  -0.397   4.365
  548    HA   LEU  75           HA       LEU  75   3.357   1.290   3.285
  549    HB2  LEU  75           HB2      LEU  75   1.615   1.991   4.885
  550    HB3  LEU  75           HB1      LEU  75   2.350   1.011   6.127
  551    HG   LEU  75           HG       LEU  75   4.390   2.538   5.962
  552   HD11  LEU  75          HD11      LEU  75   3.969   3.438   3.779
  553   HD12  LEU  75          HD12      LEU  75   4.060   4.715   4.995
  554   HD13  LEU  75          HD13      LEU  75   2.494   4.208   4.363
  555   HD21  LEU  75          HD21      LEU  75   3.356   4.297   7.298
  556   HD22  LEU  75          HD22      LEU  75   2.754   2.707   7.772
  557   HD23  LEU  75          HD23      LEU  75   1.757   3.765   6.775
  558    H    ASP  76           HN       ASP  76   3.399  -1.050   5.881
  559    HA   ASP  76           HA       ASP  76   6.014  -0.641   6.788
  560    HB2  ASP  76           HB2      ASP  76   4.268  -1.658   8.151
  561    HB3  ASP  76           HB1      ASP  76   4.207  -3.040   7.070
  562    H    LEU  77           HN       LEU  77   4.664  -2.895   4.427
  563    HA   LEU  77           HA       LEU  77   6.897  -4.509   3.956
  564    HB2  LEU  77           HB2      LEU  77   4.886  -3.540   1.923
  565    HB3  LEU  77           HB1      LEU  77   5.996  -4.863   1.691
  566    HG   LEU  77           HG       LEU  77   3.680  -4.780   3.610
  567   HD11  LEU  77          HD11      LEU  77   2.751  -6.500   2.140
  568   HD12  LEU  77          HD12      LEU  77   4.140  -6.331   1.070
  569   HD13  LEU  77          HD13      LEU  77   3.024  -4.983   1.285
  570   HD21  LEU  77          HD21      LEU  77   4.199  -7.137   4.045
  571   HD22  LEU  77          HD22      LEU  77   5.532  -6.093   4.538
  572   HD23  LEU  77          HD23      LEU  77   5.640  -7.010   3.036
  573    H    ILE  78           HN       ILE  78   5.879  -1.547   2.330
  574    HA   ILE  78           HA       ILE  78   8.069  -1.368   0.558
  575    HB   ILE  78           HB       ILE  78   6.230   0.823   1.576
  576   HG12  ILE  78          HG12      ILE  78   5.054  -1.016   0.382
  577   HG13  ILE  78          HG11      ILE  78   4.969   0.508  -0.487
  578   HG21  ILE  78          HG21      ILE  78   6.921   2.096  -0.414
  579   HG22  ILE  78          HG22      ILE  78   8.079   0.828  -0.816
  580   HG23  ILE  78          HG23      ILE  78   8.280   1.770   0.664
  581   HD11  ILE  78          HD11      ILE  78   5.351  -1.342  -2.016
  582   HD12  ILE  78          HD12      ILE  78   6.800  -1.800  -1.120
  583   HD13  ILE  78          HD13      ILE  78   6.758  -0.277  -1.995
  584    H    ASN  79           HN       ASN  79   7.326   0.618   3.419
  585    HA   ASN  79           HA       ASN  79   9.768   1.963   3.437
  586    HB2  ASN  79           HB2      ASN  79   7.818   1.548   5.714
  587    HB3  ASN  79           HB1      ASN  79   9.161   2.679   5.746
  588   HD21  ASN  79          HD21      ASN  79   7.850   4.493   5.970
  589   HD22  ASN  79          HD22      ASN  79   6.758   5.005   4.732
  590    H    GLY  80           HN       GLY  80   8.846  -1.059   5.017
  591    HA2  GLY  80           HA2      GLY  80  11.146  -1.288   6.637
  592    HA3  GLY  80           HA1      GLY  80  10.099  -2.607   6.119
  593    H    ALA  81           HN       ALA  81  10.389  -2.311   3.351
  594    HA   ALA  81           HA       ALA  81  12.880  -3.643   2.941
  595    HB1  ALA  81           HB1      ALA  81  12.204  -3.758   0.591
  596    HB2  ALA  81           HB2      ALA  81  10.881  -2.637   0.910
  597    HB3  ALA  81           HB3      ALA  81  10.877  -4.236   1.650
  598    H    LEU  82           HN       LEU  82  11.715  -0.407   2.572
  599    HA   LEU  82           HA       LEU  82  13.937   0.588   1.112
  600    HB2  LEU  82           HB2      LEU  82  12.010   2.018   2.951
  601    HB3  LEU  82           HB1      LEU  82  13.191   2.825   1.939
  602    HG   LEU  82           HG       LEU  82  10.884   1.151   0.950
  603   HD11  LEU  82          HD11      LEU  82  10.151   3.248   1.916
  604   HD12  LEU  82          HD12      LEU  82   9.968   3.265   0.163
  605   HD13  LEU  82          HD13      LEU  82  11.309   4.129   0.921
  606   HD21  LEU  82          HD21      LEU  82  12.808   1.035  -0.546
  607   HD22  LEU  82          HD22      LEU  82  12.910   2.795  -0.569
  608   HD23  LEU  82          HD23      LEU  82  11.508   1.982  -1.266
  609    H    ALA  83           HN       ALA  83  13.208   0.245   4.533
  610    HA   ALA  83           HA       ALA  83  15.588   1.441   5.493
  611    HB1  ALA  83           HB1      ALA  83  13.865  -0.666   6.808
  612    HB2  ALA  83           HB2      ALA  83  13.612   1.077   6.916
  613    HB3  ALA  83           HB3      ALA  83  15.058   0.350   7.620
  614    H    GLU  84           HN       GLU  84  15.026  -1.486   3.916
  615    HA   GLU  84           HA       GLU  84  17.310  -2.890   4.962
  616    HB2  GLU  84           HB2      GLU  84  15.275  -4.046   4.066
  617    HB3  GLU  84           HB1      GLU  84  15.690  -3.460   2.466
  618    HG2  GLU  84           HG2      GLU  84  16.375  -5.743   2.688
  619    HG3  GLU  84           HG1      GLU  84  17.806  -4.713   2.587
  620    H    ALA  85           HN       ALA  85  16.786  -0.407   2.714
  621    HA   ALA  85           HA       ALA  85  19.054  -1.054   1.047
  622    HB1  ALA  85           HB1      ALA  85  17.295   1.399   1.097
  623    HB2  ALA  85           HB2      ALA  85  17.087   0.007   0.033
  624    HB3  ALA  85           HB3      ALA  85  18.518   1.029  -0.118
  625    H    ALA  86           HN       ALA  86  21.007  -0.230   1.271
  626    HA   ALA  86           HA       ALA  86  21.449   1.708   3.417
  627    HB1  ALA  86           HB1      ALA  86  23.691   0.693   3.649
  628    HB2  ALA  86           HB2      ALA  86  23.272  -0.498   2.414
  629    HB3  ALA  86           HB3      ALA  86  22.413  -0.486   3.955
  630   H282  PNS  87          H28A      PNS  87  -8.032 -12.285  -2.628
  631   H281  PNS  87          H28B      PNS  87  -7.045 -11.011  -3.362
  632   H303  PNS  87          H30A      PNS  87  -7.697 -13.341  -6.145
  633   H302  PNS  87          H30B      PNS  87  -7.856 -11.670  -5.602
  634   H301  PNS  87          H30C      PNS  87  -8.833 -12.944  -4.861
  635   H313  PNS  87          H31A      PNS  87  -5.219 -13.249  -5.695
  636   H312  PNS  87          H31B      PNS  87  -4.649 -12.742  -4.105
  637   H311  PNS  87          H31C      PNS  87  -5.415 -11.573  -5.179
  638    H32  PNS  87          H32A      PNS  87  -6.137 -14.581  -2.949
  639    H33  PNS  87          H33A      PNS  87  -5.305 -15.427  -4.623
  640    H36  PNS  87          H36A      PNS  87  -7.686 -16.465  -4.561
  641   H372  PNS  87          H37A      PNS  87  -9.640 -17.417  -2.921
  642   H371  PNS  87          H37B      PNS  87 -10.488 -16.214  -3.902
  643   H382  PNS  87          H38A      PNS  87  -9.732 -17.324  -5.925
  644   H381  PNS  87          H38B      PNS  87  -8.917 -18.547  -4.959
  645    H41  PNS  87          H41A      PNS  87 -10.294 -19.661  -6.554
  646   H422  PNS  87          H42A      PNS  87 -12.596 -20.825  -5.231
  647   H421  PNS  87          H42B      PNS  87 -12.947 -20.004  -6.749
  648   H431  PNS  87          H43A      PNS  87 -12.600 -22.361  -7.155
  649   H432  PNS  87          H43B      PNS  87 -11.030 -22.281  -6.360
  650    H44  PNS  87           H1       PNS  87 -11.854 -20.700  -9.267
  Start of MODEL   20
    1    H1   MET   1           HT1      MET   1  20.572   8.108   1.496
    2    H2   MET   1           HT2      MET   1  18.884   8.156   1.155
    3    H3   MET   1           HT3      MET   1  19.896   7.210   0.225
    4    HA   MET   1           HA       MET   1  20.357   5.723   1.864
    5    HB2  MET   1           HB2      MET   1  20.453   7.238   3.798
    6    HB3  MET   1           HB1      MET   1  18.721   7.507   3.694
    7    HG2  MET   1           HG2      MET   1  18.315   5.168   4.276
    8    HG3  MET   1           HG1      MET   1  20.054   4.884   4.357
    9    HE1  MET   1           HE1      MET   1  18.807   4.754   8.112
   10    HE2  MET   1           HE2      MET   1  19.603   3.854   6.820
   11    HE3  MET   1           HE3      MET   1  17.891   4.253   6.688
   12    H    ALA   2           HN       ALA   2  17.098   7.032   2.585
   13    HA   ALA   2           HA       ALA   2  15.921   5.230   0.682
   14    HB1  ALA   2           HB1      ALA   2  16.322   3.734   2.576
   15    HB2  ALA   2           HB2      ALA   2  14.599   4.031   2.347
   16    HB3  ALA   2           HB3      ALA   2  15.471   4.855   3.640
   17    H    THR   3           HN       THR   3  13.977   6.002   0.058
   18    HA   THR   3           HA       THR   3  12.872   8.123   1.738
   19    HB   THR   3           HB       THR   3  13.460   9.060  -0.402
   20    HG1  THR   3           HG1      THR   3  11.741  10.104  -0.316
   21   HG21  THR   3          HG21      THR   3  12.579   8.235  -2.565
   22   HG22  THR   3          HG22      THR   3  11.861   6.854  -1.736
   23   HG23  THR   3          HG23      THR   3  13.614   7.040  -1.779
   24    H    LEU   4           HN       LEU   4  11.452   7.215   2.981
   25    HA   LEU   4           HA       LEU   4   9.808   5.109   1.868
   26    HB2  LEU   4           HB2      LEU   4   9.272   4.502   4.185
   27    HB3  LEU   4           HB1      LEU   4  10.977   4.459   3.850
   28    HG   LEU   4           HG       LEU   4  11.127   6.702   5.047
   29   HD11  LEU   4          HD11      LEU   4   9.376   7.169   6.679
   30   HD12  LEU   4          HD12      LEU   4   8.413   5.850   6.003
   31   HD13  LEU   4          HD13      LEU   4   8.770   7.272   5.020
   32   HD21  LEU   4          HD21      LEU   4  11.928   4.608   5.979
   33   HD22  LEU   4          HD22      LEU   4  10.308   4.239   6.571
   34   HD23  LEU   4          HD23      LEU   4  11.199   5.614   7.231
   35    H    LEU   5           HN       LEU   5   7.528   5.094   2.484
   36    HA   LEU   5           HA       LEU   5   6.585   7.804   2.077
   37    HB2  LEU   5           HB2      LEU   5   4.617   6.697   1.004
   38    HB3  LEU   5           HB1      LEU   5   6.144   6.521   0.173
   39    HG   LEU   5           HG       LEU   5   6.220   4.227   1.418
   40   HD11  LEU   5          HD11      LEU   5   4.040   3.187   1.684
   41   HD12  LEU   5          HD12      LEU   5   3.266   4.748   1.400
   42   HD13  LEU   5          HD13      LEU   5   4.294   4.516   2.815
   43   HD21  LEU   5          HD21      LEU   5   6.200   4.483  -0.955
   44   HD22  LEU   5          HD22      LEU   5   4.459   4.770  -0.951
   45   HD23  LEU   5          HD23      LEU   5   5.099   3.190  -0.487
   46    H    THR   6           HN       THR   6   4.725   8.548   3.036
   47    HA   THR   6           HA       THR   6   4.267   7.422   5.675
   48    HB   THR   6           HB       THR   6   3.195   9.627   6.159
   49    HG1  THR   6           HG1      THR   6   4.063  10.254   3.481
   50   HG21  THR   6          HG21      THR   6   5.580   9.298   6.646
   51   HG22  THR   6          HG22      THR   6   5.275  10.957   6.126
   52   HG23  THR   6          HG23      THR   6   5.992   9.797   5.007
   53    H    THR   7           HN       THR   7   1.776   8.377   6.313
   54    HA   THR   7           HA       THR   7  -0.032   6.534   5.379
   55    HB   THR   7           HB       THR   7  -0.616   9.315   6.441
   56    HG1  THR   7           HG1      THR   7  -0.282   8.526   8.447
   57   HG21  THR   7          HG21      THR   7  -2.149   6.714   6.658
   58   HG22  THR   7          HG22      THR   7  -2.585   8.082   5.631
   59   HG23  THR   7          HG23      THR   7  -2.622   8.250   7.387
   60    H    ASP   8           HN       ASP   8   0.222  10.002   4.547
   61    HA   ASP   8           HA       ASP   8  -1.766  10.005   2.573
   62    HB2  ASP   8           HB2      ASP   8   0.388  11.901   3.316
   63    HB3  ASP   8           HB1      ASP   8  -0.454  12.133   1.788
   64    H    ASP   9           HN       ASP   9   1.609   9.290   2.321
   65    HA   ASP   9           HA       ASP   9   1.681   9.510  -0.530
   66    HB2  ASP   9           HB2      ASP   9   3.497   7.863   1.237
   67    HB3  ASP   9           HB1      ASP   9   3.768   8.216  -0.458
   68    H    LEU  10           HN       LEU  10   1.211   6.861   1.726
   69    HA   LEU  10           HA       LEU  10   0.837   4.820  -0.188
   70    HB2  LEU  10           HB2      LEU  10   1.246   4.394   2.203
   71    HB3  LEU  10           HB1      LEU  10  -0.300   5.107   2.603
   72    HG   LEU  10           HG       LEU  10  -1.427   3.278   1.363
   73   HD11  LEU  10          HD11      LEU  10   0.364   2.695  -0.170
   74   HD12  LEU  10          HD12      LEU  10  -0.148   1.287   0.759
   75   HD13  LEU  10          HD13      LEU  10   1.348   2.122   1.177
   76   HD21  LEU  10          HD21      LEU  10  -1.138   3.152   3.779
   77   HD22  LEU  10          HD22      LEU  10   0.443   2.405   3.563
   78   HD23  LEU  10          HD23      LEU  10  -1.012   1.551   3.049
   79    H    ARG  11           HN       ARG  11  -1.329   7.001   1.475
   80    HA   ARG  11           HA       ARG  11  -3.834   6.315   0.614
   81    HB2  ARG  11           HB2      ARG  11  -3.498   8.055   2.217
   82    HB3  ARG  11           HB1      ARG  11  -2.584   9.017   1.076
   83    HG2  ARG  11           HG2      ARG  11  -4.686   9.281  -0.252
   84    HG3  ARG  11           HG1      ARG  11  -5.539   8.484   1.077
   85    HD2  ARG  11           HD2      ARG  11  -4.880  10.198   2.616
   86    HD3  ARG  11           HD1      ARG  11  -3.821  10.936   1.419
   87    HE   ARG  11           HE       ARG  11  -6.573  10.753   0.641
   88   HH11  ARG  11          HH11      ARG  11  -4.100  12.843   2.260
   89   HH12  ARG  11          HH12      ARG  11  -4.990  14.246   2.044
   90   HH21  ARG  11          HH21      ARG  11  -7.734  12.819   0.325
   91   HH22  ARG  11          HH22      ARG  11  -7.038  14.255   0.902
   92    H    ARG  12           HN       ARG  12  -1.774   8.751  -1.004
   93    HA   ARG  12           HA       ARG  12  -3.497   8.959  -3.240
   94    HB2  ARG  12           HB2      ARG  12  -1.634  10.189  -4.332
   95    HB3  ARG  12           HB1      ARG  12  -2.144  10.834  -2.771
   96    HG2  ARG  12           HG2      ARG  12  -0.235   9.766  -1.723
   97    HG3  ARG  12           HG1      ARG  12   0.196   9.088  -3.300
   98    HD2  ARG  12           HD2      ARG  12   0.641  11.261  -4.188
   99    HD3  ARG  12           HD1      ARG  12  -0.044  12.045  -2.766
  100    HE   ARG  12           HE       ARG  12   1.884  10.930  -1.558
  101   HH11  ARG  12          HH11      ARG  12   2.105  11.867  -4.915
  102   HH12  ARG  12          HH12      ARG  12   3.716  12.398  -4.872
  103   HH21  ARG  12          HH21      ARG  12   4.117  11.512  -1.417
  104   HH22  ARG  12          HH22      ARG  12   4.930  12.191  -2.758
  105    H    ALA  13           HN       ALA  13  -0.880   6.854  -2.600
  106    HA   ALA  13           HA       ALA  13  -0.517   5.961  -5.286
  107    HB1  ALA  13           HB1      ALA  13   1.217   5.689  -3.586
  108    HB2  ALA  13           HB2      ALA  13   0.764   4.140  -4.296
  109    HB3  ALA  13           HB3      ALA  13   0.172   4.584  -2.696
  110    H    LEU  14           HN       LEU  14  -2.444   4.894  -2.555
  111    HA   LEU  14           HA       LEU  14  -3.449   2.551  -3.801
  112    HB2  LEU  14           HB2      LEU  14  -3.297   2.936  -1.385
  113    HB3  LEU  14           HB1      LEU  14  -4.564   4.146  -1.487
  114    HG   LEU  14           HG       LEU  14  -6.123   2.337  -2.253
  115   HD11  LEU  14          HD11      LEU  14  -4.457   0.803  -3.147
  116   HD12  LEU  14          HD12      LEU  14  -5.451   0.015  -1.923
  117   HD13  LEU  14          HD13      LEU  14  -3.815   0.543  -1.526
  118   HD21  LEU  14          HD21      LEU  14  -6.372   1.302  -0.045
  119   HD22  LEU  14          HD22      LEU  14  -6.072   3.033   0.081
  120   HD23  LEU  14          HD23      LEU  14  -4.769   1.885   0.405
  121    H    VAL  15           HN       VAL  15  -4.632   5.864  -3.403
  122    HA   VAL  15           HA       VAL  15  -7.135   5.642  -4.655
  123    HB   VAL  15           HB       VAL  15  -5.203   8.004  -4.765
  124   HG11  VAL  15          HG11      VAL  15  -7.157   9.395  -5.242
  125   HG12  VAL  15          HG12      VAL  15  -8.164   7.950  -5.324
  126   HG13  VAL  15          HG13      VAL  15  -6.883   8.202  -6.511
  127   HG21  VAL  15          HG21      VAL  15  -5.819   7.417  -2.488
  128   HG22  VAL  15          HG22      VAL  15  -7.527   7.475  -2.925
  129   HG23  VAL  15          HG23      VAL  15  -6.558   8.946  -2.962
  130    H    GLU  16           HN       GLU  16  -3.926   5.882  -5.955
  131    HA   GLU  16           HA       GLU  16  -4.589   6.396  -8.660
  132    HB2  GLU  16           HB2      GLU  16  -2.368   6.791  -7.461
  133    HB3  GLU  16           HB1      GLU  16  -2.073   5.072  -7.664
  134    HG2  GLU  16           HG2      GLU  16  -0.957   6.332  -9.388
  135    HG3  GLU  16           HG1      GLU  16  -2.240   5.345 -10.093
  136    H    SER  17           HN       SER  17  -4.075   3.445  -6.764
  137    HA   SER  17           HA       SER  17  -3.982   1.643  -8.881
  138    HB2  SER  17           HB2      SER  17  -4.953   1.242  -6.056
  139    HB3  SER  17           HB1      SER  17  -4.432  -0.025  -7.174
  140    HG   SER  17           HG       SER  17  -2.883   0.710  -5.646
  141    H    ALA  18           HN       ALA  18  -6.696   2.802  -6.922
  142    HA   ALA  18           HA       ALA  18  -8.638   1.298  -8.340
  143    HB1  ALA  18           HB1      ALA  18  -8.981   3.836  -6.756
  144    HB2  ALA  18           HB2      ALA  18  -9.063   2.196  -6.111
  145    HB3  ALA  18           HB3      ALA  18 -10.273   2.753  -7.270
  146    H    GLY  19           HN       GLY  19  -7.461   4.597  -8.566
  147    HA2  GLY  19           HA2      GLY  19  -7.179   5.920 -10.408
  148    HA3  GLY  19           HA1      GLY  19  -7.801   4.612 -11.398
  149    H    GLU  20           HN       GLU  20 -10.129   4.276 -11.249
  150    HA   GLU  20           HA       GLU  20 -11.358   6.755 -11.942
  151    HB2  GLU  20           HB2      GLU  20 -11.673   4.683 -13.250
  152    HB3  GLU  20           HB1      GLU  20 -12.551   3.986 -11.899
  153    HG2  GLU  20           HG2      GLU  20 -14.236   5.762 -12.113
  154    HG3  GLU  20           HG1      GLU  20 -13.359   6.393 -13.507
  155    H    THR  21           HN       THR  21 -11.577   7.895 -10.140
  156    HA   THR  21           HA       THR  21 -12.499   8.799  -8.300
  157    HB   THR  21           HB       THR  21 -14.975   8.670  -8.180
  158    HG1  THR  21           HG1      THR  21 -14.694   6.422  -9.347
  159   HG21  THR  21          HG21      THR  21 -13.850  10.312  -9.582
  160   HG22  THR  21          HG22      THR  21 -15.334   9.762 -10.362
  161   HG23  THR  21          HG23      THR  21 -13.771   9.153 -10.907
  162    H    ASP  22           HN       ASP  22 -11.274   7.509  -6.762
  163    HA   ASP  22           HA       ASP  22 -13.142   5.931  -5.147
  164    HB2  ASP  22           HB2      ASP  22 -11.514   4.426  -6.261
  165    HB3  ASP  22           HB1      ASP  22 -10.210   5.292  -5.457
  166    H    GLY  23           HN       GLY  23 -13.039   6.206  -3.039
  167    HA2  GLY  23           HA2      GLY  23 -10.914   7.432  -1.655
  168    HA3  GLY  23           HA1      GLY  23 -12.258   8.556  -1.884
  169    H    THR  24           HN       THR  24 -12.163   5.087  -1.376
  170    HA   THR  24           HA       THR  24 -14.392   5.428   0.400
  171    HB   THR  24           HB       THR  24 -14.606   3.754  -1.308
  172    HG1  THR  24           HG1      THR  24 -14.335   2.260   1.085
  173   HG21  THR  24          HG21      THR  24 -12.328   3.127  -1.742
  174   HG22  THR  24          HG22      THR  24 -13.226   1.663  -1.315
  175   HG23  THR  24          HG23      THR  24 -12.171   2.445  -0.129
  176    H    ASP  25           HN       ASP  25 -13.314   6.488   2.091
  177    HA   ASP  25           HA       ASP  25 -12.696   6.548   4.251
  178    HB2  ASP  25           HB2      ASP  25 -12.288   3.558   4.031
  179    HB3  ASP  25           HB1      ASP  25 -11.959   4.465   5.498
  180    H    LEU  26           HN       LEU  26 -10.807   6.244   1.784
  181    HA   LEU  26           HA       LEU  26  -8.268   5.753   2.978
  182    HB2  LEU  26           HB2      LEU  26  -9.063   6.960   0.355
  183    HB3  LEU  26           HB1      LEU  26  -7.402   7.061   0.888
  184    HG   LEU  26           HG       LEU  26  -7.323   4.573   0.972
  185   HD11  LEU  26          HD11      LEU  26  -9.674   4.077   1.250
  186   HD12  LEU  26          HD12      LEU  26  -9.007   3.274  -0.173
  187   HD13  LEU  26          HD13      LEU  26 -10.013   4.714  -0.364
  188   HD21  LEU  26          HD21      LEU  26  -7.211   4.264  -1.436
  189   HD22  LEU  26          HD22      LEU  26  -6.475   5.785  -0.928
  190   HD23  LEU  26          HD23      LEU  26  -8.075   5.782  -1.671
  191    H    SER  27           HN       SER  27 -10.297   8.460   2.938
  192    HA   SER  27           HA       SER  27  -8.321  10.405   3.538
  193    HB2  SER  27           HB2      SER  27 -11.309  10.349   3.964
  194    HB3  SER  27           HB1      SER  27 -10.280  11.778   4.127
  195    HG   SER  27           HG       SER  27 -10.324  12.018   2.128
  196    H    GLY  28           HN       GLY  28  -7.250  10.516   5.410
  197    HA2  GLY  28           HA2      GLY  28  -7.230  10.881   7.735
  198    HA3  GLY  28           HA1      GLY  28  -8.693   9.921   7.873
  199    H    ASP  29           HN       ASP  29  -8.257   8.244   9.066
  200    HA   ASP  29           HA       ASP  29  -5.627   6.955   8.851
  201    HB2  ASP  29           HB2      ASP  29  -7.743   6.538  10.974
  202    HB3  ASP  29           HB1      ASP  29  -6.063   6.012  11.025
  203    H    PHE  30           HN       PHE  30  -5.690   5.428   7.376
  204    HA   PHE  30           HA       PHE  30  -8.026   3.644   7.340
  205    HB2  PHE  30           HB2      PHE  30  -7.722   3.352   4.943
  206    HB3  PHE  30           HB1      PHE  30  -7.895   5.057   5.321
  207    HD1  PHE  30           HD1      PHE  30  -5.722   6.453   5.437
  208    HD2  PHE  30           HD2      PHE  30  -5.929   2.581   3.682
  209    HE1  PHE  30           HE1      PHE  30  -3.663   6.916   4.180
  210    HE2  PHE  30           HE2      PHE  30  -3.859   3.039   2.431
  211    HZ   PHE  30           HZ       PHE  30  -2.729   5.208   2.678
  212    H    LEU  31           HN       LEU  31  -5.324   3.528   8.731
  213    HA   LEU  31           HA       LEU  31  -3.913   1.446   7.315
  214    HB2  LEU  31           HB2      LEU  31  -3.388   2.578  10.076
  215    HB3  LEU  31           HB1      LEU  31  -2.368   1.422   9.254
  216    HG   LEU  31           HG       LEU  31  -1.280   3.473   9.059
  217   HD11  LEU  31          HD11      LEU  31  -1.213   2.237   7.023
  218   HD12  LEU  31          HD12      LEU  31  -1.231   3.966   6.679
  219   HD13  LEU  31          HD13      LEU  31  -2.696   3.011   6.461
  220   HD21  LEU  31          HD21      LEU  31  -3.863   4.726   8.122
  221   HD22  LEU  31          HD22      LEU  31  -2.303   5.545   8.195
  222   HD23  LEU  31          HD23      LEU  31  -3.077   4.991   9.679
  223    H    ASP  32           HN       ASP  32  -6.130   1.710   9.926
  224    HA   ASP  32           HA       ASP  32  -5.971  -1.122  10.665
  225    HB2  ASP  32           HB2      ASP  32  -7.831   1.086  11.614
  226    HB3  ASP  32           HB1      ASP  32  -7.833  -0.554  12.233
  227    H    LEU  33           HN       LEU  33  -7.303   0.623   8.260
  228    HA   LEU  33           HA       LEU  33  -9.833  -0.791   8.189
  229    HB2  LEU  33           HB2      LEU  33  -8.781   1.390   6.392
  230    HB3  LEU  33           HB1      LEU  33 -10.388   0.692   6.315
  231    HG   LEU  33           HG       LEU  33  -9.253   2.315   8.588
  232   HD11  LEU  33          HD11      LEU  33  -9.814   3.647   6.650
  233   HD12  LEU  33          HD12      LEU  33 -10.948   3.941   7.967
  234   HD13  LEU  33          HD13      LEU  33 -11.422   2.927   6.602
  235   HD21  LEU  33          HD21      LEU  33 -11.973   1.065   8.268
  236   HD22  LEU  33          HD22      LEU  33 -11.490   2.163   9.561
  237   HD23  LEU  33          HD23      LEU  33 -10.729   0.576   9.420
  238    H    ARG  34           HN       ARG  34  -9.474  -2.741   7.599
  239    HA   ARG  34           HA       ARG  34  -7.440  -3.692   5.929
  240    HB2  ARG  34           HB2      ARG  34 -10.111  -4.887   6.558
  241    HB3  ARG  34           HB1      ARG  34  -8.832  -5.721   5.704
  242    HG2  ARG  34           HG2      ARG  34  -7.423  -5.609   7.671
  243    HG3  ARG  34           HG1      ARG  34  -8.686  -4.713   8.535
  244    HD2  ARG  34           HD2      ARG  34 -10.207  -6.525   8.328
  245    HD3  ARG  34           HD1      ARG  34  -9.115  -7.390   7.262
  246    HE   ARG  34           HE       ARG  34  -8.322  -6.819  10.008
  247   HH11  ARG  34          HH11      ARG  34  -9.295  -9.162   7.475
  248   HH12  ARG  34          HH12      ARG  34  -8.750 -10.521   8.336
  249   HH21  ARG  34          HH21      ARG  34  -7.684  -8.751  11.223
  250   HH22  ARG  34          HH22      ARG  34  -7.895 -10.300  10.506
  251    H    PHE  35           HN       PHE  35  -7.490  -4.503   3.843
  252    HA   PHE  35           HA       PHE  35  -8.756  -2.852   1.962
  253    HB2  PHE  35           HB2      PHE  35  -7.324  -5.478   1.598
  254    HB3  PHE  35           HB1      PHE  35  -7.837  -4.438   0.275
  255    HD1  PHE  35           HD2      PHE  35  -6.969  -2.021   0.303
  256    HD2  PHE  35           HD1      PHE  35  -5.241  -5.177   2.559
  257    HE1  PHE  35           HE2      PHE  35  -4.872  -0.747   0.462
  258    HE2  PHE  35           HE1      PHE  35  -3.140  -3.913   2.729
  259    HZ   PHE  35           HZ       PHE  35  -2.951  -1.695   1.672
  260    H    GLU  36           HN       GLU  36  -9.694  -5.809   3.400
  261    HA   GLU  36           HA       GLU  36 -11.637  -6.650   1.562
  262    HB2  GLU  36           HB2      GLU  36 -12.521  -8.017   3.433
  263    HB3  GLU  36           HB1      GLU  36 -10.783  -8.168   3.232
  264    HG2  GLU  36           HG2      GLU  36 -10.489  -6.535   5.076
  265    HG3  GLU  36           HG1      GLU  36 -12.235  -6.571   5.323
  266    H    ASP  37           HN       ASP  37 -11.693  -4.090   3.906
  267    HA   ASP  37           HA       ASP  37 -14.585  -3.869   3.864
  268    HB2  ASP  37           HB2      ASP  37 -13.397  -3.139   5.893
  269    HB3  ASP  37           HB1      ASP  37 -12.504  -1.947   4.951
  270    H    ILE  38           HN       ILE  38 -11.786  -2.266   2.523
  271    HA   ILE  38           HA       ILE  38 -13.403  -0.308   1.184
  272    HB   ILE  38           HB       ILE  38 -11.311   0.675   0.363
  273   HG12  ILE  38          HG12      ILE  38  -9.941  -1.615   1.798
  274   HG13  ILE  38          HG11      ILE  38 -10.022  -1.410   0.054
  275   HG21  ILE  38          HG21      ILE  38 -10.366   1.288   2.550
  276   HG22  ILE  38          HG22      ILE  38 -11.253  -0.039   3.297
  277   HG23  ILE  38          HG23      ILE  38 -12.130   1.306   2.565
  278   HD11  ILE  38          HD11      ILE  38  -7.864  -0.716   0.937
  279   HD12  ILE  38          HD12      ILE  38  -8.664   0.459   1.983
  280   HD13  ILE  38          HD13      ILE  38  -8.728   0.650   0.231
  281    H    GLY  39           HN       GLY  39 -13.356  -3.251   0.423
  282    HA2  GLY  39           HA2      GLY  39 -13.994  -4.376  -1.486
  283    HA3  GLY  39           HA1      GLY  39 -14.067  -2.824  -2.291
  284    H    TYR  40           HN       TYR  40 -11.071  -3.877  -0.846
  285    HA   TYR  40           HA       TYR  40  -9.979  -3.813  -3.490
  286    HB2  TYR  40           HB2      TYR  40  -9.010  -3.155  -0.862
  287    HB3  TYR  40           HB1      TYR  40  -7.861  -4.134  -1.772
  288    HD1  TYR  40           HD1      TYR  40 -10.017  -1.138  -2.044
  289    HD2  TYR  40           HD2      TYR  40  -6.509  -3.116  -3.387
  290    HE1  TYR  40           HE1      TYR  40  -9.343   0.890  -3.229
  291    HE2  TYR  40           HE2      TYR  40  -5.821  -1.091  -4.591
  292    HH   TYR  40           HH       TYR  40  -6.767   0.915  -5.483
  293    H    ASP  41           HN       ASP  41  -8.822  -5.271  -4.430
  294    HA   ASP  41           HA       ASP  41  -9.112  -8.053  -3.523
  295    HB2  ASP  41           HB2      ASP  41  -8.102  -6.996  -6.189
  296    HB3  ASP  41           HB1      ASP  41  -8.539  -8.650  -5.813
  297    H    SER  42           HN       SER  42  -7.146  -9.353  -3.404
  298    HA   SER  42           HA       SER  42  -4.895  -7.906  -2.554
  299    HB2  SER  42           HB2      SER  42  -5.114 -10.826  -3.293
  300    HB3  SER  42           HB1      SER  42  -3.799 -10.092  -2.357
  301    H    LEU  43           HN       LEU  43  -5.852  -9.036  -5.646
  302    HA   LEU  43           HA       LEU  43  -3.346  -8.883  -6.993
  303    HB2  LEU  43           HB2      LEU  43  -6.131  -8.458  -8.094
  304    HB3  LEU  43           HB1      LEU  43  -4.694  -8.768  -9.045
  305    HG   LEU  43           HG       LEU  43  -5.959 -10.710  -7.114
  306   HD11  LEU  43          HD11      LEU  43  -7.330 -10.369  -9.083
  307   HD12  LEU  43          HD12      LEU  43  -6.572 -11.960  -9.121
  308   HD13  LEU  43          HD13      LEU  43  -5.937 -10.656 -10.126
  309   HD21  LEU  43          HD21      LEU  43  -3.654 -11.054  -9.032
  310   HD22  LEU  43          HD22      LEU  43  -4.390 -12.333  -8.068
  311   HD23  LEU  43          HD23      LEU  43  -3.542 -11.004  -7.275
  312    H    ALA  44           HN       ALA  44  -5.692  -6.577  -5.951
  313    HA   ALA  44           HA       ALA  44  -4.752  -4.413  -7.589
  314    HB1  ALA  44           HB1      ALA  44  -6.671  -4.457  -5.257
  315    HB2  ALA  44           HB2      ALA  44  -7.111  -4.587  -6.960
  316    HB3  ALA  44           HB3      ALA  44  -6.401  -3.095  -6.344
  317    H    LEU  45           HN       LEU  45  -3.968  -5.832  -4.592
  318    HA   LEU  45           HA       LEU  45  -2.722  -3.539  -3.423
  319    HB2  LEU  45           HB2      LEU  45  -2.159  -6.440  -2.855
  320    HB3  LEU  45           HB1      LEU  45  -1.752  -5.076  -1.837
  321    HG   LEU  45           HG       LEU  45  -4.477  -6.176  -2.420
  322   HD11  LEU  45          HD11      LEU  45  -3.221  -7.381  -0.748
  323   HD12  LEU  45          HD12      LEU  45  -4.544  -6.476  -0.002
  324   HD13  LEU  45          HD13      LEU  45  -2.889  -5.868   0.100
  325   HD21  LEU  45          HD21      LEU  45  -3.729  -3.685  -0.915
  326   HD22  LEU  45          HD22      LEU  45  -5.346  -4.390  -1.000
  327   HD23  LEU  45          HD23      LEU  45  -4.577  -3.756  -2.460
  328    H    MET  46           HN       MET  46  -1.780  -6.199  -5.414
  329    HA   MET  46           HA       MET  46   0.986  -5.686  -5.572
  330    HB2  MET  46           HB2      MET  46  -0.943  -6.961  -7.521
  331    HB3  MET  46           HB1      MET  46   0.798  -6.947  -7.759
  332    HG2  MET  46           HG2      MET  46   1.161  -8.357  -5.862
  333    HG3  MET  46           HG1      MET  46  -0.469  -8.048  -5.299
  334    HE1  MET  46           HE1      MET  46   0.170  -8.684  -9.097
  335    HE2  MET  46           HE2      MET  46   0.123 -10.443  -9.207
  336    HE3  MET  46           HE3      MET  46   1.474  -9.647  -8.396
  337    H    GLU  47           HN       GLU  47  -1.767  -4.572  -7.467
  338    HA   GLU  47           HA       GLU  47  -0.565  -2.902  -9.349
  339    HB2  GLU  47           HB2      GLU  47  -2.917  -3.435  -9.388
  340    HB3  GLU  47           HB1      GLU  47  -3.163  -2.707  -7.825
  341    HG2  GLU  47           HG2      GLU  47  -4.117  -1.312  -9.546
  342    HG3  GLU  47           HG1      GLU  47  -2.776  -0.486  -8.767
  343    H    THR  48           HN       THR  48  -1.573  -2.222  -6.073
  344    HA   THR  48           HA       THR  48  -0.827   0.474  -5.912
  345    HB   THR  48           HB       THR  48  -1.060  -1.614  -3.731
  346    HG1  THR  48           HG1      THR  48  -3.038  -1.489  -4.797
  347   HG21  THR  48          HG21      THR  48  -1.551   0.298  -2.263
  348   HG22  THR  48          HG22      THR  48  -1.276   1.411  -3.606
  349   HG23  THR  48          HG23      THR  48   0.060   0.453  -2.963
  350    H    ALA  49           HN       ALA  49   0.860  -2.430  -4.642
  351    HA   ALA  49           HA       ALA  49   3.118  -1.041  -3.732
  352    HB1  ALA  49           HB1      ALA  49   2.903  -3.962  -4.449
  353    HB2  ALA  49           HB2      ALA  49   2.492  -3.246  -2.885
  354    HB3  ALA  49           HB3      ALA  49   4.156  -3.216  -3.458
  355    H    ALA  50           HN       ALA  50   2.420  -2.498  -6.858
  356    HA   ALA  50           HA       ALA  50   4.935  -2.612  -7.973
  357    HB1  ALA  50           HB1      ALA  50   2.388  -1.861  -9.397
  358    HB2  ALA  50           HB2      ALA  50   2.907  -3.504  -9.025
  359    HB3  ALA  50           HB3      ALA  50   3.850  -2.515 -10.139
  360    H    ARG  51           HN       ARG  51   2.777   0.199  -7.793
  361    HA   ARG  51           HA       ARG  51   4.552   1.801  -9.379
  362    HB2  ARG  51           HB2      ARG  51   3.074   3.603  -9.098
  363    HB3  ARG  51           HB1      ARG  51   2.027   2.202  -9.056
  364    HG2  ARG  51           HG2      ARG  51   2.010   2.368  -6.568
  365    HG3  ARG  51           HG1      ARG  51   2.947   3.858  -6.705
  366    HD2  ARG  51           HD2      ARG  51   0.726   4.593  -6.512
  367    HD3  ARG  51           HD1      ARG  51   1.057   4.676  -8.242
  368    HE   ARG  51           HE       ARG  51  -0.695   2.836  -6.849
  369   HH11  ARG  51          HH11      ARG  51   0.565   3.946 -10.006
  370   HH12  ARG  51          HH12      ARG  51  -0.379   2.844 -10.904
  371   HH21  ARG  51          HH21      ARG  51  -1.973   1.377  -8.105
  372   HH22  ARG  51          HH22      ARG  51  -1.776   1.280  -9.800
  373    H    LEU  52           HN       LEU  52   4.227   1.043  -6.065
  374    HA   LEU  52           HA       LEU  52   5.781   3.202  -5.050
  375    HB2  LEU  52           HB2      LEU  52   5.155   0.535  -3.784
  376    HB3  LEU  52           HB1      LEU  52   5.776   1.948  -2.952
  377    HG   LEU  52           HG       LEU  52   3.064   1.691  -4.240
  378   HD11  LEU  52          HD11      LEU  52   3.241   0.463  -2.162
  379   HD12  LEU  52          HD12      LEU  52   2.225   1.892  -1.961
  380   HD13  LEU  52          HD13      LEU  52   3.879   1.895  -1.353
  381   HD21  LEU  52          HD21      LEU  52   3.907   3.950  -4.489
  382   HD22  LEU  52          HD22      LEU  52   4.307   4.010  -2.772
  383   HD23  LEU  52          HD23      LEU  52   2.622   3.909  -3.280
  384    H    GLU  53           HN       GLU  53   6.373  -0.153  -5.904
  385    HA   GLU  53           HA       GLU  53   9.075  -0.376  -5.276
  386    HB2  GLU  53           HB2      GLU  53   7.566  -1.496  -7.631
  387    HB3  GLU  53           HB1      GLU  53   9.177  -1.989  -7.159
  388    HG2  GLU  53           HG2      GLU  53   8.310  -2.833  -5.059
  389    HG3  GLU  53           HG1      GLU  53   6.687  -2.303  -5.522
  390    H    SER  54           HN       SER  54   7.487   0.701  -8.188
  391    HA   SER  54           HA       SER  54   9.729   1.205  -9.768
  392    HB2  SER  54           HB2      SER  54   7.006   2.509  -9.936
  393    HB3  SER  54           HB1      SER  54   8.192   2.364 -11.235
  394    HG   SER  54           HG       SER  54   6.636   0.350 -10.001
  395    H    ARG  55           HN       ARG  55   7.860   3.387  -7.636
  396    HA   ARG  55           HA       ARG  55   9.388   5.658  -8.523
  397    HB2  ARG  55           HB2      ARG  55   6.952   5.758  -7.925
  398    HB3  ARG  55           HB1      ARG  55   7.427   5.576  -6.239
  399    HG2  ARG  55           HG2      ARG  55   8.795   7.617  -6.440
  400    HG3  ARG  55           HG1      ARG  55   8.205   7.821  -8.086
  401    HD2  ARG  55           HD2      ARG  55   5.872   7.842  -7.096
  402    HD3  ARG  55           HD1      ARG  55   6.648   7.967  -5.514
  403    HE   ARG  55           HE       ARG  55   7.190   9.871  -7.666
  404   HH11  ARG  55          HH11      ARG  55   6.177   9.342  -4.238
  405   HH12  ARG  55          HH12      ARG  55   6.177  11.010  -3.928
  406   HH21  ARG  55          HH21      ARG  55   7.108  12.129  -7.118
  407   HH22  ARG  55          HH22      ARG  55   6.643  12.610  -5.568
  408    H    TYR  56           HN       TYR  56   9.334   3.611  -5.623
  409    HA   TYR  56           HA       TYR  56  11.197   5.486  -4.432
  410    HB2  TYR  56           HB2      TYR  56   9.612   3.268  -3.122
  411    HB3  TYR  56           HB1      TYR  56  10.696   4.380  -2.273
  412    HD1  TYR  56           HD1      TYR  56  10.128   6.771  -2.079
  413    HD2  TYR  56           HD2      TYR  56   7.450   4.024  -3.907
  414    HE1  TYR  56           HE1      TYR  56   8.300   8.374  -1.782
  415    HE2  TYR  56           HE2      TYR  56   5.608   5.630  -3.624
  416    HH   TYR  56           HH       TYR  56   6.126   8.902  -2.577
  417    H    GLY  57           HN       GLY  57  11.319   2.580  -6.069
  418    HA2  GLY  57           HA2      GLY  57  13.286   1.580  -6.795
  419    HA3  GLY  57           HA1      GLY  57  14.173   2.511  -5.602
  420    H    VAL  58           HN       VAL  58  11.654   0.010  -5.588
  421    HA   VAL  58           HA       VAL  58  13.387  -1.640  -3.959
  422    HB   VAL  58           HB       VAL  58  11.979  -0.246  -2.393
  423   HG11  VAL  58          HG11      VAL  58   9.977   0.010  -3.632
  424   HG12  VAL  58          HG12      VAL  58   9.613  -0.740  -2.079
  425   HG13  VAL  58          HG13      VAL  58   9.645  -1.720  -3.544
  426   HG21  VAL  58          HG21      VAL  58  11.421  -3.213  -2.215
  427   HG22  VAL  58          HG22      VAL  58  11.261  -2.058  -0.893
  428   HG23  VAL  58          HG23      VAL  58  12.847  -2.382  -1.591
  429    H    SER  59           HN       SER  59  12.359  -3.910  -3.758
  430    HA   SER  59           HA       SER  59  10.584  -4.485  -6.022
  431    HB2  SER  59           HB2      SER  59  12.847  -6.213  -4.995
  432    HB3  SER  59           HB1      SER  59  11.833  -6.522  -6.408
  433    HG   SER  59           HG       SER  59  12.756  -4.147  -6.749
  434    H    ILE  60           HN       ILE  60   8.771  -5.449  -5.390
  435    HA   ILE  60           HA       ILE  60   8.725  -6.898  -2.817
  436    HB   ILE  60           HB       ILE  60   6.498  -5.199  -3.986
  437   HG12  ILE  60          HG12      ILE  60   8.201  -4.716  -1.527
  438   HG13  ILE  60          HG11      ILE  60   8.345  -3.849  -3.052
  439   HG21  ILE  60          HG21      ILE  60   5.637  -7.130  -2.787
  440   HG22  ILE  60          HG22      ILE  60   5.320  -5.655  -1.874
  441   HG23  ILE  60          HG23      ILE  60   6.633  -6.729  -1.386
  442   HD11  ILE  60          HD11      ILE  60   5.947  -3.845  -1.235
  443   HD12  ILE  60          HD12      ILE  60   6.090  -2.974  -2.762
  444   HD13  ILE  60          HD13      ILE  60   7.133  -2.552  -1.403
  445    HA   PRO  61           HA       PRO  61   7.567 -10.165  -5.737
  446    HB2  PRO  61           HB2      PRO  61   7.057 -11.487  -3.108
  447    HB3  PRO  61           HB1      PRO  61   7.936 -12.096  -4.516
  448    HG2  PRO  61           HG2      PRO  61   9.264 -11.254  -2.384
  449    HG3  PRO  61           HG1      PRO  61   9.847 -10.871  -4.016
  450    HD2  PRO  61           HD2      PRO  61   8.420  -9.124  -2.051
  451    HD3  PRO  61           HD1      PRO  61   9.742  -8.722  -3.166
  452    H    ASP  62           HN       ASP  62   5.687 -10.977  -6.399
  453    HA   ASP  62           HA       ASP  62   3.345  -9.482  -6.047
  454    HB2  ASP  62           HB2      ASP  62   2.239 -11.060  -7.511
  455    HB3  ASP  62           HB1      ASP  62   3.869 -10.773  -8.099
  456    H    ASP  63           HN       ASP  63   4.287 -12.523  -4.598
  457    HA   ASP  63           HA       ASP  63   1.767 -13.202  -3.509
  458    HB2  ASP  63           HB2      ASP  63   3.067 -14.837  -2.189
  459    HB3  ASP  63           HB1      ASP  63   3.445 -14.894  -3.907
  460    H    VAL  64           HN       VAL  64   4.429 -11.314  -2.453
  461    HA   VAL  64           HA       VAL  64   3.777 -11.131   0.318
  462    HB   VAL  64           HB       VAL  64   5.306  -9.278  -1.482
  463   HG11  VAL  64          HG11      VAL  64   5.354  -9.583   1.548
  464   HG12  VAL  64          HG12      VAL  64   4.704  -8.209   0.654
  465   HG13  VAL  64          HG13      VAL  64   6.438  -8.537   0.631
  466   HG21  VAL  64          HG21      VAL  64   6.257 -11.496  -1.536
  467   HG22  VAL  64          HG22      VAL  64   6.290 -11.563   0.225
  468   HG23  VAL  64          HG23      VAL  64   7.333 -10.429  -0.633
  469    H    ALA  65           HN       ALA  65   3.568  -8.840  -2.365
  470    HA   ALA  65           HA       ALA  65   2.147  -6.806  -1.105
  471    HB1  ALA  65           HB1      ALA  65   2.084  -7.545  -4.027
  472    HB2  ALA  65           HB2      ALA  65   3.303  -6.533  -3.250
  473    HB3  ALA  65           HB3      ALA  65   1.628  -5.989  -3.337
  474    H    GLY  66           HN       GLY  66   0.962  -9.645  -2.825
  475    HA2  GLY  66           HA2      GLY  66  -1.779  -8.791  -2.413
  476    HA3  GLY  66           HA1      GLY  66  -1.243 -10.204  -3.306
  477    H    ARG  67           HN       ARG  67  -0.109  -9.528  -0.052
  478    HA   ARG  67           HA       ARG  67  -2.067 -11.430   1.008
  479    HB2  ARG  67           HB2      ARG  67   0.019 -12.682   0.380
  480    HB3  ARG  67           HB1      ARG  67   0.912 -11.691   1.517
  481    HG2  ARG  67           HG2      ARG  67  -0.384 -12.604   3.360
  482    HG3  ARG  67           HG1      ARG  67  -1.340 -13.560   2.229
  483    HD2  ARG  67           HD2      ARG  67   0.621 -14.821   1.591
  484    HD3  ARG  67           HD1      ARG  67   1.644 -13.808   2.612
  485    HE   ARG  67           HE       ARG  67  -0.508 -15.002   4.037
  486   HH11  ARG  67          HH11      ARG  67   2.676 -15.889   2.689
  487   HH12  ARG  67          HH12      ARG  67   3.092 -16.868   4.018
  488   HH21  ARG  67          HH21      ARG  67   0.091 -16.432   5.823
  489   HH22  ARG  67          HH22      ARG  67   1.592 -17.225   5.805
  490    H    VAL  68           HN       VAL  68  -1.180  -8.438   1.230
  491    HA   VAL  68           HA       VAL  68  -0.845  -8.377   4.122
  492    HB   VAL  68           HB       VAL  68  -0.435  -5.890   3.822
  493   HG11  VAL  68          HG11      VAL  68   1.412  -7.453   4.012
  494   HG12  VAL  68          HG12      VAL  68   1.813  -6.164   2.874
  495   HG13  VAL  68          HG13      VAL  68   1.355  -7.758   2.275
  496   HG21  VAL  68          HG21      VAL  68  -1.592  -5.549   1.685
  497   HG22  VAL  68          HG22      VAL  68  -0.427  -6.614   0.889
  498   HG23  VAL  68          HG23      VAL  68   0.108  -5.079   1.571
  499    H    ASP  69           HN       ASP  69  -2.627  -8.539   5.214
  500    HA   ASP  69           HA       ASP  69  -5.223  -7.927   4.253
  501    HB2  ASP  69           HB2      ASP  69  -4.270  -8.536   7.055
  502    HB3  ASP  69           HB1      ASP  69  -5.960  -8.257   6.663
  503    H    THR  70           HN       THR  70  -3.128  -6.127   6.453
  504    HA   THR  70           HA       THR  70  -5.089  -3.971   6.302
  505    HB   THR  70           HB       THR  70  -3.896  -3.009   8.291
  506    HG1  THR  70           HG1      THR  70  -2.689  -5.534   8.703
  507   HG21  THR  70          HG21      THR  70  -5.932  -4.318   8.595
  508   HG22  THR  70          HG22      THR  70  -4.810  -4.619   9.928
  509   HG23  THR  70          HG23      THR  70  -4.986  -5.804   8.629
  510    HA   PRO  71           HA       PRO  71  -2.460  -1.582   3.649
  511    HB2  PRO  71           HB2      PRO  71  -3.345   0.714   5.337
  512    HB3  PRO  71           HB1      PRO  71  -3.404   0.521   3.580
  513    HG2  PRO  71           HG2      PRO  71  -5.614   0.280   4.984
  514    HG3  PRO  71           HG1      PRO  71  -5.278  -0.860   3.666
  515    HD2  PRO  71           HD2      PRO  71  -4.982  -1.245   6.623
  516    HD3  PRO  71           HD1      PRO  71  -5.637  -2.356   5.402
  517    H    ARG  72           HN       ARG  72  -2.299  -1.258   7.104
  518    HA   ARG  72           HA       ARG  72   0.051   0.238   7.333
  519    HB2  ARG  72           HB2      ARG  72  -1.400  -0.149   9.216
  520    HB3  ARG  72           HB1      ARG  72  -1.086  -1.875   9.147
  521    HG2  ARG  72           HG2      ARG  72   1.243  -1.487   9.739
  522    HG3  ARG  72           HG1      ARG  72   0.949   0.256   9.779
  523    HD2  ARG  72           HD2      ARG  72  -0.425  -1.792  11.489
  524    HD3  ARG  72           HD1      ARG  72   0.896  -0.749  12.008
  525    HE   ARG  72           HE       ARG  72  -0.546   1.131  11.506
  526   HH11  ARG  72          HH11      ARG  72  -2.115  -2.023  12.037
  527   HH12  ARG  72          HH12      ARG  72  -3.490  -1.387  12.788
  528   HH21  ARG  72          HH21      ARG  72  -2.505   2.035  12.397
  529   HH22  ARG  72          HH22      ARG  72  -3.790   1.044  12.883
  530    H    GLU  73           HN       GLU  73  -0.496  -3.208   6.862
  531    HA   GLU  73           HA       GLU  73   2.157  -4.053   7.264
  532    HB2  GLU  73           HB2      GLU  73  -0.139  -5.245   5.730
  533    HB3  GLU  73           HB1      GLU  73   1.413  -6.051   5.918
  534    HG2  GLU  73           HG2      GLU  73  -0.306  -5.160   8.211
  535    HG3  GLU  73           HG1      GLU  73  -0.333  -6.781   7.516
  536    H    LEU  74           HN       LEU  74   0.433  -2.899   4.454
  537    HA   LEU  74           HA       LEU  74   2.544  -3.447   2.575
  538    HB2  LEU  74           HB2      LEU  74   0.013  -3.164   2.128
  539    HB3  LEU  74           HB1      LEU  74   0.284  -1.447   2.272
  540    HG   LEU  74           HG       LEU  74   0.080  -2.267  -0.059
  541   HD11  LEU  74          HD11      LEU  74   2.785  -1.098   0.572
  542   HD12  LEU  74          HD12      LEU  74   1.289  -0.192   0.331
  543   HD13  LEU  74          HD13      LEU  74   2.003  -1.088  -1.009
  544   HD21  LEU  74          HD21      LEU  74   1.936  -3.504  -1.078
  545   HD22  LEU  74          HD22      LEU  74   1.116  -4.432   0.181
  546   HD23  LEU  74          HD23      LEU  74   2.674  -3.676   0.514
  547    H    LEU  75           HN       LEU  75   1.424  -0.649   4.406
  548    HA   LEU  75           HA       LEU  75   3.190   1.351   3.575
  549    HB2  LEU  75           HB2      LEU  75   1.251   1.737   5.001
  550    HB3  LEU  75           HB1      LEU  75   1.964   0.775   6.274
  551    HG   LEU  75           HG       LEU  75   3.752   2.511   6.489
  552   HD11  LEU  75          HD11      LEU  75   1.967   4.058   4.636
  553   HD12  LEU  75          HD12      LEU  75   3.603   3.492   4.287
  554   HD13  LEU  75          HD13      LEU  75   3.339   4.712   5.533
  555   HD21  LEU  75          HD21      LEU  75   0.910   3.424   6.882
  556   HD22  LEU  75          HD22      LEU  75   2.331   4.106   7.676
  557   HD23  LEU  75          HD23      LEU  75   1.854   2.440   8.000
  558    H    ASP  76           HN       ASP  76   3.412  -0.806   6.355
  559    HA   ASP  76           HA       ASP  76   5.971  -0.075   7.229
  560    HB2  ASP  76           HB2      ASP  76   4.368  -1.167   8.685
  561    HB3  ASP  76           HB1      ASP  76   4.404  -2.614   7.688
  562    H    LEU  77           HN       LEU  77   4.861  -2.506   4.985
  563    HA   LEU  77           HA       LEU  77   7.124  -4.089   4.602
  564    HB2  LEU  77           HB2      LEU  77   4.707  -4.126   3.570
  565    HB3  LEU  77           HB1      LEU  77   5.399  -3.114   2.333
  566    HG   LEU  77           HG       LEU  77   6.097  -5.984   2.954
  567   HD11  LEU  77          HD11      LEU  77   3.991  -5.708   1.859
  568   HD12  LEU  77          HD12      LEU  77   5.169  -6.406   0.744
  569   HD13  LEU  77          HD13      LEU  77   4.732  -4.702   0.616
  570   HD21  LEU  77          HD21      LEU  77   8.124  -4.794   2.200
  571   HD22  LEU  77          HD22      LEU  77   7.246  -4.200   0.789
  572   HD23  LEU  77          HD23      LEU  77   7.551  -5.928   0.977
  573    H    ILE  78           HN       ILE  78   6.089  -1.169   2.890
  574    HA   ILE  78           HA       ILE  78   8.337  -0.700   1.293
  575    HB   ILE  78           HB       ILE  78   6.435   1.307   2.538
  576   HG12  ILE  78          HG12      ILE  78   5.293  -0.364   1.131
  577   HG13  ILE  78          HG11      ILE  78   5.227   1.243   0.418
  578   HG21  ILE  78          HG21      ILE  78   8.440   2.435   1.802
  579   HG22  ILE  78          HG22      ILE  78   7.109   2.817   0.702
  580   HG23  ILE  78          HG23      ILE  78   8.337   1.647   0.226
  581   HD11  ILE  78          HD11      ILE  78   5.643  -0.453  -1.265
  582   HD12  ILE  78          HD12      ILE  78   7.082  -0.980  -0.392
  583   HD13  ILE  78          HD13      ILE  78   7.030   0.629  -1.112
  584    H    ASN  79           HN       ASN  79   7.422   0.798   4.372
  585    HA   ASN  79           HA       ASN  79   9.638   2.426   4.769
  586    HB2  ASN  79           HB2      ASN  79   8.053   1.055   6.959
  587    HB3  ASN  79           HB1      ASN  79   9.080   2.458   7.161
  588   HD21  ASN  79          HD21      ASN  79   7.931   3.482   4.508
  589   HD22  ASN  79          HD22      ASN  79   6.414   4.169   4.981
  590    H    GLY  80           HN       GLY  80   9.116  -0.810   6.100
  591    HA2  GLY  80           HA2      GLY  80  11.564  -0.991   7.467
  592    HA3  GLY  80           HA1      GLY  80  10.523  -2.335   7.027
  593    H    ALA  81           HN       ALA  81  10.625  -2.249   4.257
  594    HA   ALA  81           HA       ALA  81  13.009  -3.628   3.763
  595    HB1  ALA  81           HB1      ALA  81  11.166  -2.344   1.744
  596    HB2  ALA  81           HB2      ALA  81  10.967  -3.954   2.439
  597    HB3  ALA  81           HB3      ALA  81  12.356  -3.601   1.413
  598    H    LEU  82           HN       LEU  82  12.057  -0.333   3.015
  599    HA   LEU  82           HA       LEU  82  14.450   0.303   1.642
  600    HB2  LEU  82           HB2      LEU  82  12.312   2.056   2.835
  601    HB3  LEU  82           HB1      LEU  82  13.646   2.660   1.863
  602    HG   LEU  82           HG       LEU  82  11.550   0.710   0.904
  603   HD11  LEU  82          HD11      LEU  82  10.717   2.575  -0.430
  604   HD12  LEU  82          HD12      LEU  82  11.886   3.648   0.338
  605   HD13  LEU  82          HD13      LEU  82  10.601   2.910   1.296
  606   HD21  LEU  82          HD21      LEU  82  13.694   0.432  -0.226
  607   HD22  LEU  82          HD22      LEU  82  13.742   2.159  -0.584
  608   HD23  LEU  82          HD23      LEU  82  12.499   1.142  -1.310
  609    H    ALA  83           HN       ALA  83  13.367   0.825   4.983
  610    HA   ALA  83           HA       ALA  83  15.619   2.330   5.763
  611    HB1  ALA  83           HB1      ALA  83  13.816   0.626   7.479
  612    HB2  ALA  83           HB2      ALA  83  13.522   2.306   7.030
  613    HB3  ALA  83           HB3      ALA  83  14.902   1.892   8.048
  614    H    GLU  84           HN       GLU  84  14.965  -1.123   5.753
  615    HA   GLU  84           HA       GLU  84  17.246  -1.974   7.168
  616    HB2  GLU  84           HB2      GLU  84  15.210  -3.352   6.603
  617    HB3  GLU  84           HB1      GLU  84  15.802  -3.445   4.955
  618    HG2  GLU  84           HG2      GLU  84  16.336  -5.469   6.132
  619    HG3  GLU  84           HG1      GLU  84  17.821  -4.589   5.772
  620    H    ALA  85           HN       ALA  85  16.576  -1.622   3.711
  621    HA   ALA  85           HA       ALA  85  17.785  -1.481   1.852
  622    HB1  ALA  85           HB1      ALA  85  18.540   0.603   2.928
  623    HB2  ALA  85           HB2      ALA  85  19.758  -0.085   1.851
  624    HB3  ALA  85           HB3      ALA  85  19.923  -0.267   3.597
  625    H    ALA  86           HN       ALA  86  18.237  -3.361   0.997
  626    HA   ALA  86           HA       ALA  86  20.751  -4.608   1.795
  627    HB1  ALA  86           HB1      ALA  86  19.745  -6.810   1.372
  628    HB2  ALA  86           HB2      ALA  86  18.193  -6.035   1.046
  629    HB3  ALA  86           HB3      ALA  86  18.892  -5.960   2.664
  630   H282  PNS  87          H28A      PNS  87  -7.918 -13.114  -2.898
  631   H281  PNS  87          H28B      PNS  87  -9.208 -12.144  -2.192
  632   H303  PNS  87          H30A      PNS  87 -10.485 -10.674  -5.158
  633   H302  PNS  87          H30B      PNS  87  -9.489  -9.938  -3.900
  634   H301  PNS  87          H30C      PNS  87 -10.770 -11.074  -3.465
  635   H313  PNS  87          H31A      PNS  87  -7.438 -10.761  -5.082
  636   H312  PNS  87          H31B      PNS  87  -8.416 -11.541  -6.326
  637   H311  PNS  87          H31C      PNS  87  -7.249 -12.487  -5.404
  638    H32  PNS  87          H32A      PNS  87 -10.609 -13.462  -4.001
  639    H33  PNS  87          H33A      PNS  87  -9.093 -14.878  -3.707
  640    H36  PNS  87          H36A      PNS  87  -9.338 -14.969  -6.249
  641   H372  PNS  87          H37A      PNS  87 -11.212 -15.174  -8.203
  642   H371  PNS  87          H37B      PNS  87 -10.361 -13.722  -8.689
  643   H382  PNS  87          H38A      PNS  87  -9.492 -15.546  -9.933
  644   H381  PNS  87          H38B      PNS  87  -8.246 -14.992  -8.809
  645    H41  PNS  87          H41A      PNS  87 -10.501 -16.713  -7.045
  646   H422  PNS  87          H42A      PNS  87  -9.895 -19.417  -7.650
  647   H421  PNS  87          H42B      PNS  87  -8.905 -18.821  -6.323
  648   H431  PNS  87          H43A      PNS  87 -10.867 -19.856  -5.415
  649   H432  PNS  87          H43B      PNS  87 -11.890 -18.868  -6.445
  650    H44  PNS  87           H1       PNS  87  -9.914 -17.724  -3.943