*HEADER    TRANSPORT PROTEIN                       29-SEP-09   2KOR              
*TITLE     NMR SOLUTION STRUCTURES OF 2-OCTENOYL-ACP FROM STREPTOMYCES COELICOLOR
*TITLE    2 FATTY ACID SYNTHASE                                                  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ACYL CARRIER PROTEIN;                                      
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: STREPTOMYCES COELICOLOR;                        
*SOURCE   3 ORGANISM_TAXID: 1902;                                                
*SOURCE   4 GENE: ACPP, SCO2389, SC4A7.17;                                       
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: SC-APOFAS-PET21                           
*KEYWDS    ACYL CARRIER PROTEIN, INTERMEDIATE BINDING, FATTY ACID SYNTHASE,      
*KEYWDS   2 FATTY ACID BIOSYNTHESIS, LIPID SYNTHESIS, PHOSPHOPANTETHEINE,        
*KEYWDS   3 TRANSPORT PROTEIN                                                    
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    E.PLOSKON, C.J.ARTHUR, M.P.CRUMP                                      
*REVDAT   1   18-AUG-10 2KOR    0                                                


 ASSI {    2}
   (  segid "    " and resid 50   and name HB% )
   (  segid "    " and resid 14   and name HD1%)
      2.900     1.100     1.100 peak     2 spectrum    1 weight  0.10000E+01 volume  0.31409E-02 ppm1      1.502 ppm2      0.738 CV     1
 OR {    2}
   (  segid "    " and resid 9    and name HB% )
   (  segid "    " and resid 26   and name HG1%)
 OR {    2}
   (  segid "    " and resid 9    and name HB% )
   (  segid "    " and resid 14   and name HD1%)
 ASSI {    3}
   (  segid "    " and resid 50   and name HB% )
   (  segid "    " and resid 40   and name H8% )
      2.300     0.600     0.600 peak     3 spectrum    1 weight  0.10000E+01 volume  0.83326E-02 ppm1      1.500 ppm2      0.634 CV     1
 OR {    3}
   (  segid "    " and resid 50   and name HB% )
   (  segid "    " and resid 58   and name HD1%)
 ASSI {    6}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 14   and name HG12))
      2.600     0.900     0.900 peak     6 spectrum    1 weight  0.10000E+01 volume  0.26737E-02 ppm1      3.956 ppm2      1.073 CV     1
 OR {    6}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 53   and name HB2 ))
 OR {    6}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 14   and name HG2%)
 ASSI {    7}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 53   and name HG1 ))
      4.000     2.000     2.000 peak     7 spectrum    1 weight  0.10000E+01 volume  0.94342E-03 ppm1      3.954 ppm2      0.886 CV     1
 OR {    7}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 11   and name HD2%)
 OR {    7}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 56   and name HG1%)
 OR {    7}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 47   and name HG1%)
 ASSI {    8}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 14   and name HD1%)
      2.600     0.800     0.800 peak     8 spectrum    1 weight  0.10000E+01 volume  0.49298E-02 ppm1      3.957 ppm2      0.734 CV     1
 OR {    8}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 53   and name HG2 ))
 ASSI {    9}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 46   and name HG1%)
      4.100     2.100     1.900 peak     9 spectrum    1 weight  0.10000E+01 volume  0.71065E-03 ppm1      3.957 ppm2      0.640 CV     1
 OR {    9}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 53   and name HG2 ))
 OR {    9}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 40   and name H8% )
 OR {    9}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 76   and name HD1%)
 ASSI {   17}
   (  segid "    " and resid 50   and name HB% )
   (  segid "    " and resid 11   and name HD2%)
      2.800     1.000     1.000 peak    17 spectrum    1 weight  0.10000E+01 volume  0.47366E-02 ppm1      1.499 ppm2      0.886 CV     1
 OR {   17}
   (  segid "    " and resid 9    and name HB% )
   (  segid "    " and resid 8    and name HG1%)
 OR {   17}
   (  segid "    " and resid 50   and name HB% )
   (  segid "    " and resid 47   and name HG1%)
 OR {   17}
   (  segid "    " and resid 50   and name HB% )
   (  segid "    " and resid 56   and name HG1%)
 OR {   17}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 53   and name HG1 ))
 ASSI {   18}
   (  segid "    " and resid 50   and name HB% )
   (  segid "    " and resid 14   and name HG2%)
      3.400     1.500     1.500 peak    18 spectrum    1 weight  0.10000E+01 volume  0.12265E-02 ppm1      1.500 ppm2      1.070 CV     1
 OR {   18}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 14   and name HG12))
 OR {   18}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 53   and name HB2 ))
 ASSI {   19}
   (  segid "    " and resid 50   and name HB% )
   (  segid "    " and resid 7    and name HG2%)
      4.100     2.100     1.900 peak    19 spectrum    1 weight  0.10000E+01 volume  0.79103E-03 ppm1      1.499 ppm2      0.523 CV     1
 OR {   19}
   (  segid "    " and resid 50   and name HB% )
   (  segid "    " and resid 76   and name HG2%)
 OR {   19}
   (  segid "    " and resid 50   and name HB% )
   (  segid "    " and resid 7    and name HD1%)
 ASSI {   24}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 80   and name HE21))
      4.300     2.300     1.700 peak    24 spectrum    1 weight  0.10000E+01 volume  0.11891E-02 ppm1      1.565 ppm2      7.659 CV     1
 OR {   24}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 6    and name HN  ))
 ASSI {   34}
   (  segid "    " and resid 2    and name HB% )
   (  segid "    " and resid 7    and name HD1%)
      2.900     1.000     1.000 peak    34 spectrum    1 weight  0.10000E+01 volume  0.47622E-02 ppm1      1.568 ppm2      0.525 CV     1
 OR {   34}
   (  segid "    " and resid 2    and name HB% )
   (  segid "    " and resid 76   and name HG2%)
 OR {   34}
   (  segid "    " and resid 2    and name HB% )
   (  segid "    " and resid 7    and name HG2%)
 ASSI {   39}
   (( segid "    " and resid 3    and name HA  ))
   (  segid "    " and resid 7    and name HD1%)
      4.500     2.500     1.500 peak    39 spectrum    1 weight  0.10000E+01 volume  0.45964E-03 ppm1      4.444 ppm2      0.530 CV     1
 OR {   39}
   (( segid "    " and resid 3    and name HA  ))
   (  segid "    " and resid 76   and name HG2%)
 ASSI {   65}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 7    and name HB  ))
      2.600     0.800     0.800 peak    65 spectrum    1 weight  0.10000E+01 volume  0.29104E-02 ppm1      3.709 ppm2      1.789 CV     1
 OR {   65}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 74   and name HD1 ))
 OR {   65}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 28   and name HG  ))
 OR {   65}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 76   and name HB  ))
 ASSI {   68}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 77   and name HD1%)
      2.800     1.000     1.000 peak    68 spectrum    1 weight  0.10000E+01 volume  0.35944E-02 ppm1      3.706 ppm2      0.821 CV     1
 OR {   68}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 77   and name HD2%)
 OR {   68}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 28   and name HD1%)
 ASSI {   71}
   (( segid "    " and resid 4    and name HB1 ))
   (  segid "    " and resid 77   and name HD1%)
      3.800     1.800     1.800 peak    71 spectrum    1 weight  0.10000E+01 volume  0.16643E-02 ppm1      2.180 ppm2      0.822 CV     1
 OR {   71}
   (( segid "    " and resid 4    and name HB1 ))
   (  segid "    " and resid 28   and name HD1%)
 OR {   71}
   (( segid "    " and resid 4    and name HB1 ))
   (  segid "    " and resid 77   and name HD2%)
 OR {   71}
   (( segid "    " and resid 80   and name HB2 ))
   (  segid "    " and resid 77   and name HD2%)
 ASSI {   72}
   (( segid "    " and resid 4    and name HB2 ))
   (  segid "    " and resid 77   and name HD1%)
      3.500     1.500     1.500 peak    72 spectrum    1 weight  0.10000E+01 volume  0.10140E-02 ppm1      2.044 ppm2      0.819 CV     1
 OR {   72}
   (( segid "    " and resid 4    and name HB2 ))
   (  segid "    " and resid 28   and name HD1%)
 OR {   72}
   (( segid "    " and resid 4    and name HB2 ))
   (  segid "    " and resid 77   and name HD2%)
 ASSI {   73}
   (( segid "    " and resid 4    and name HG1 ))
   (( segid "    " and resid 4    and name HA  ))
      3.400     1.400     1.400 peak    73 spectrum    1 weight  0.10000E+01 volume  0.21442E-02 ppm1      2.233 ppm2      3.705 CV     1
 OR {   73}
   (( segid "    " and resid 4    and name HG1 ))
   (( segid "    " and resid 73   and name HA  ))
 ASSI {   74}
   (( segid "    " and resid 4    and name HG2 ))
   (( segid "    " and resid 4    and name HA  ))
      2.700     0.900     0.900 peak    74 spectrum    1 weight  0.10000E+01 volume  0.16894E-02 ppm1      2.162 ppm2      3.700 CV     1
 OR {   74}
   (( segid "    " and resid 4    and name HG2 ))
   (( segid "    " and resid 73   and name HA  ))
 ASSI {   75}
   (( segid "    " and resid 4    and name HG1 ))
   (  segid "    " and resid 28   and name HD1%)
      3.000     1.100     1.100 peak    75 spectrum    1 weight  0.10000E+01 volume  0.12760E-02 ppm1      2.233 ppm2      0.818 CV     1
 OR {   75}
   (( segid "    " and resid 4    and name HG1 ))
   (  segid "    " and resid 77   and name HD1%)
 ASSI {   76}
   (( segid "    " and resid 4    and name HG2 ))
   (  segid "    " and resid 28   and name HD1%)
      3.500     1.500     1.500 peak    76 spectrum    1 weight  0.10000E+01 volume  0.11007E-02 ppm1      2.166 ppm2      0.820 CV     1
 OR {   76}
   (( segid "    " and resid 4    and name HG2 ))
   (  segid "    " and resid 77   and name HD1%)
 ASSI {   81}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      3.300     1.300     1.300 peak    81 spectrum    1 weight  0.10000E+01 volume  0.15834E-02 ppm1      3.935 ppm2      8.386 CV     1
 OR {   81}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 7    and name HN  ))
 OR {   81}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
 ASSI {   89}
   (( segid "    " and resid 5    and name HA  ))
   (  segid "    " and resid 8    and name HG1%)
      3.900     1.900     1.900 peak    89 spectrum    1 weight  0.10000E+01 volume  0.13274E-02 ppm1      3.936 ppm2      0.909 CV     1
 OR {   89}
   (( segid "    " and resid 5    and name HA  ))
   (  segid "    " and resid 28   and name HD2%)
 ASSI {  106}
   (( segid "    " and resid 6    and name HB1 ))
   (  segid "    " and resid 2    and name HB% )
      3.200     1.200     1.200 peak   106 spectrum    1 weight  0.10000E+01 volume  0.20391E-02 ppm1      2.496 ppm2      1.561 CV     1
 OR {  106}
   (( segid "    " and resid 6    and name HB1 ))
   (( segid "    " and resid 7    and name HG11))
 OR {  106}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 58   and name HG11))
 ASSI {  107}
   (( segid "    " and resid 6    and name HB2 ))
   (  segid "    " and resid 2    and name HB% )
      2.700     0.900     0.900 peak   107 spectrum    1 weight  0.10000E+01 volume  0.20311E-02 ppm1      2.116 ppm2      1.561 CV     1
 OR {  107}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 7    and name HG11))
 OR {  107}
   (( segid "    " and resid 52   and name HB1 ))
   (  segid "    " and resid 49   and name HB% )
 ASSI {  108}
   (( segid "    " and resid 6    and name HA  ))
   (  segid "    " and resid 9    and name HB% )
      3.000     1.100     1.100 peak   108 spectrum    1 weight  0.10000E+01 volume  0.47591E-02 ppm1      4.139 ppm2      1.522 CV     1
 OR {  108}
   (( segid "    " and resid 6    and name HA  ))
   (  segid "    " and resid 2    and name HB% )
 OR {  108}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 7    and name HG11))
 ASSI {  127}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 4    and name HA  ))
      2.600     0.800     0.800 peak   127 spectrum    1 weight  0.10000E+01 volume  0.32617E-02 ppm1      1.790 ppm2      3.692 CV     1
 OR {  127}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 73   and name HA  ))
 OR {  127}
   (( segid "    " and resid 76   and name HB  ))
   (( segid "    " and resid 73   and name HA  ))
 ASSI {  128}
   (( segid "    " and resid 7    and name HB  ))
   (  segid "    " and resid 73   and name HG2%)
      2.700     0.900     0.900 peak   128 spectrum    1 weight  0.10000E+01 volume  0.30579E-02 ppm1      1.791 ppm2      1.108 CV     1
 OR {  128}
   (( segid "    " and resid 76   and name HB  ))
   (  segid "    " and resid 73   and name HG2%)
 ASSI {  139}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 77   and name HN  ))
      3.200     1.300     1.300 peak   139 spectrum    1 weight  0.10000E+01 volume  0.18694E-02 ppm1      0.529 ppm2      8.501 CV     1
 OR {  139}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 76   and name HN  ))
 ASSI {  141}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 80   and name HE22))
      3.500     1.600     1.600 peak   141 spectrum    1 weight  0.10000E+01 volume  0.10403E-02 ppm1      0.530 ppm2      7.702 CV     1
 OR {  141}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 6    and name HN  ))
 OR {  141}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 79   and name HN  ))
 ASSI {  142}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 80   and name HE21))
      3.700     1.700     1.700 peak   142 spectrum    1 weight  0.10000E+01 volume  0.13402E-02 ppm1      0.527 ppm2      7.654 CV     1
 OR {  142}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 6    and name HN  ))
 ASSI {  144}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 76   and name HN  ))
      4.200     2.200     1.800 peak   144 spectrum    1 weight  0.10000E+01 volume  0.96443E-03 ppm1      0.559 ppm2      8.523 CV     1
 OR {  144}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 77   and name HN  ))
 OR {  144}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 3    and name HN  ))
 ASSI {  153}
   (  segid "    " and resid 7    and name HG2%)
   (  segid "    " and resid 11   and name HD1%)
      2.900     1.000     1.000 peak   153 spectrum    1 weight  0.10000E+01 volume  0.39628E-02 ppm1      0.562 ppm2      0.841 CV     1
 OR {  153}
   (  segid "    " and resid 7    and name HG2%)
   (  segid "    " and resid 11   and name HD2%)
 OR {  153}
   (  segid "    " and resid 7    and name HG2%)
   (  segid "    " and resid 77   and name HD2%)
 OR {  153}
   (  segid "    " and resid 7    and name HG2%)
   (  segid "    " and resid 77   and name HD1%)
 ASSI {  154}
   (  segid "    " and resid 7    and name HG2%)
   (  segid "    " and resid 77   and name HD2%)
      6.000     6.000     0.000 peak   154 spectrum    1 weight  0.10000E+01 volume  0.96034E-07 ppm1      0.526 ppm2      0.810 CV     1
 OR {  154}
   (  segid "    " and resid 7    and name HG2%)
   (  segid "    " and resid 28   and name HD1%)
 OR {  154}
   (  segid "    " and resid 7    and name HG2%)
   (  segid "    " and resid 77   and name HD1%)
 ASSI {  160}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 11   and name HG  ))
      3.200     1.300     1.300 peak   160 spectrum    1 weight  0.10000E+01 volume  0.21146E-02 ppm1      0.563 ppm2      1.993 CV     1
 OR {  160}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 76   and name HG11))
 OR {  160}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 8    and name HB  ))
 OR {  160}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 4    and name HB2 ))
 ASSI {  163}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 4    and name HB1 ))
      4.100     2.100     1.900 peak   163 spectrum    1 weight  0.10000E+01 volume  0.60976E-03 ppm1      0.524 ppm2      2.147 CV     1
 OR {  163}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 4    and name HG2 ))
 OR {  163}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 80   and name HB2 ))
 OR {  163}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 11   and name HB1 ))
 ASSI {  164}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 73   and name HA  ))
      2.300     0.700     0.700 peak   164 spectrum    1 weight  0.10000E+01 volume  0.60882E-02 ppm1      0.562 ppm2      3.677 CV     1
 OR {  164}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 4    and name HA  ))
 ASSI {  166}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 73   and name HB  ))
      4.700     2.700     1.300 peak   166 spectrum    1 weight  0.10000E+01 volume  0.49913E-03 ppm1      0.559 ppm2      4.173 CV     1
 OR {  166}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 6    and name HA  ))
 ASSI {  180}
   (  segid "    " and resid 8    and name HG1%)
   (( segid "    " and resid 5    and name HA  ))
      3.900     2.000     2.000 peak   180 spectrum    1 weight  0.10000E+01 volume  0.11053E-02 ppm1      0.906 ppm2      3.927 CV     1
 OR {  180}
   (  segid "    " and resid 8    and name HG1%)
   (( segid "    " and resid 7    and name HA  ))
 ASSI {  183}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 60   and name HA  ))
      4.500     2.600     1.500 peak   183 spectrum    1 weight  0.10000E+01 volume  0.57555E-03 ppm1      1.045 ppm2      4.193 CV     1
 OR {  183}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 73   and name HB  ))
 OR {  183}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 9    and name HA  ))
 ASSI {  184}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 60   and name HA  ))
      4.700     2.700     1.300 peak   184 spectrum    1 weight  0.10000E+01 volume  0.42381E-03 ppm1      1.041 ppm2      4.164 CV     1
 OR {  184}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 73   and name HB  ))
 OR {  184}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 6    and name HA  ))
 ASSI {  185}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 5    and name HA  ))
      3.500     1.500     1.500 peak   185 spectrum    1 weight  0.10000E+01 volume  0.16663E-02 ppm1      1.045 ppm2      3.934 CV     1
 OR {  185}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 7    and name HA  ))
 OR {  185}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 48   and name HA  ))
 OR {  185}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 50   and name HA  ))
 ASSI {  193}
   (( segid "    " and resid 8    and name HA  ))
   (  segid "    " and resid 9    and name HB% )
      4.800     2.900     1.200 peak   193 spectrum    1 weight  0.10000E+01 volume  0.52891E-03 ppm1      3.384 ppm2      1.527 CV     1
 OR {  193}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 7    and name HG11))
 OR {  193}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 27   and name HB2 ))
 ASSI {  197}
   (( segid "    " and resid 8    and name HA  ))
   (  segid "    " and resid 26   and name HG1%)
      3.800     1.800     1.800 peak   197 spectrum    1 weight  0.10000E+01 volume  0.70668E-03 ppm1      3.395 ppm2      0.780 CV     1
 OR {  197}
   (( segid "    " and resid 8    and name HA  ))
   (  segid "    " and resid 28   and name HD1%)
 ASSI {  201}
   (( segid "    " and resid 23   and name HB  ))
   (  segid "    " and resid 23   and name HG2%)
      2.200     0.600     0.600 peak   201 spectrum    1 weight  0.10000E+01 volume  0.74255E-02 ppm1      2.028 ppm2      1.033 CV     1
 OR {  201}
   (( segid "    " and resid 48   and name HB  ))
   (  segid "    " and resid 48   and name HG1%)
 OR {  201}
   (( segid "    " and resid 8    and name HB  ))
   (  segid "    " and resid 8    and name HG2%)
 ASSI {  204}
   (  segid "    " and resid 8    and name HG2%)
   (  segid "    " and resid 7    and name HG2%)
      3.900     1.900     1.900 peak   204 spectrum    1 weight  0.10000E+01 volume  0.89366E-03 ppm1      1.041 ppm2      0.575 CV     1
 OR {  204}
   (  segid "    " and resid 8    and name HG2%)
   (  segid "    " and resid 7    and name HD1%)
 OR {  204}
   (  segid "    " and resid 47   and name HG2%)
   (  segid "    " and resid 66   and name HD2%)
 ASSI {  236}
   (( segid "    " and resid 10   and name HA1 ))
   (  segid "    " and resid 14   and name HD1%)
      4.300     2.300     1.700 peak   236 spectrum    1 weight  0.10000E+01 volume  0.38813E-03 ppm1      4.060 ppm2      0.738 CV     1
 OR {  236}
   (( segid "    " and resid 10   and name HA1 ))
   (  segid "    " and resid 26   and name HG1%)
 ASSI {  249}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 14   and name HG12))
      3.600     1.700     1.700 peak   249 spectrum    1 weight  0.10000E+01 volume  0.14747E-02 ppm1      4.256 ppm2      1.067 CV     1
 OR {  249}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 14   and name HG2%)
 OR {  249}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 53   and name HB2 ))
 OR {  249}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 8    and name HG2%)
 ASSI {  251}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 14   and name HD1%)
      2.800     1.000     1.000 peak   251 spectrum    1 weight  0.10000E+01 volume  0.37671E-02 ppm1      4.257 ppm2      0.733 CV     1
 OR {  251}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 26   and name HG1%)
 ASSI {  262}
   (( segid "    " and resid 11   and name HG  ))
   (( segid "    " and resid 40   and name H5A ))
      4.300     2.300     1.700 peak   262 spectrum    1 weight  0.10000E+01 volume  0.68664E-03 ppm1      1.993 ppm2      1.064 CV     1
 OR {  262}
   (( segid "    " and resid 11   and name HG  ))
   (  segid "    " and resid 14   and name HG2%)
 OR {  262}
   (( segid "    " and resid 11   and name HG  ))
   (  segid "    " and resid 8    and name HG2%)
 OR {  262}
   (( segid "    " and resid 11   and name HG  ))
   (( segid "    " and resid 14   and name HG12))
 OR {  262}
   (( segid "    " and resid 11   and name HG  ))
   (( segid "    " and resid 53   and name HB2 ))
 ASSI {  266}
   (( segid "    " and resid 53   and name HG1 ))
   (  segid "    " and resid 54   and name HD% )
      3.400     1.400     1.400 peak   266 spectrum    1 weight  0.10000E+01 volume  0.75394E-03 ppm1      0.857 ppm2      7.462 CV     1
 OR {  266}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 54   and name HZ  ))
 OR {  266}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 54   and name HZ  ))
 OR {  266}
   (( segid "    " and resid 58   and name HG12))
   (  segid "    " and resid 54   and name HD% )
 OR {  266}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 26   and name HN  ))
 ASSI {  267}
   (( segid "    " and resid 53   and name HG1 ))
   (  segid "    " and resid 54   and name HE% )
      3.600     1.600     1.600 peak   267 spectrum    1 weight  0.10000E+01 volume  0.70918E-03 ppm1      0.860 ppm2      7.111 CV     1
 OR {  267}
   (  segid "    " and resid 11   and name HD1%)
   (  segid "    " and resid 54   and name HE% )
 ASSI {  276}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 73   and name HA  ))
      3.400     3.400     2.600 peak   276 spectrum    1 weight  0.10000E+01 volume  0.21216E-02 ppm1      0.859 ppm2      3.674 CV     1
 OR {  276}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 4    and name HA  ))
 OR {  276}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 44   and name HA  ))
 OR {  276}
   (( segid "    " and resid 58   and name HG12))
   (( segid "    " and resid 73   and name HA  ))
 ASSI {  300}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 26   and name HB  ))
      2.200     0.600     0.600 peak   300 spectrum    1 weight  0.10000E+01 volume  0.54608E-02 ppm1      1.687 ppm2      2.340 CV     1
 OR {  300}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 13   and name HG2 ))
 ASSI {  301}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 23   and name HB  ))
      3.000     1.200     1.200 peak   301 spectrum    1 weight  0.10000E+01 volume  0.27750E-02 ppm1      1.687 ppm2      2.039 CV     1
 OR {  301}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 24   and name HB1 ))
 ASSI {  303}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 26   and name HB  ))
      3.100     1.200     1.200 peak   303 spectrum    1 weight  0.10000E+01 volume  0.19982E-02 ppm1      4.057 ppm2      2.338 CV     1
 OR {  303}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 13   and name HG2 ))
 OR {  303}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 13   and name HB1 ))
 ASSI {  306}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 26   and name HG2%)
      2.200     0.600     0.600 peak   306 spectrum    1 weight  0.10000E+01 volume  0.52048E-02 ppm1      4.056 ppm2      0.923 CV     1
 OR {  306}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 23   and name HG1%)
 ASSI {  307}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 26   and name HG1%)
      2.900     1.100     1.100 peak   307 spectrum    1 weight  0.10000E+01 volume  0.56774E-02 ppm1      4.056 ppm2      0.739 CV     1
 OR {  307}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 14   and name HD1%)
 OR {  307}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 36   and name HD2%)
 ASSI {  308}
   (  segid "    " and resid 12   and name HB% )
   (  segid "    " and resid 26   and name HG2%)
      2.700     0.900     0.900 peak   308 spectrum    1 weight  0.10000E+01 volume  0.60654E-02 ppm1      1.686 ppm2      0.953 CV     1
 OR {  308}
   (  segid "    " and resid 12   and name HB% )
   (  segid "    " and resid 23   and name HG1%)
 ASSI {  311}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 15   and name HG1%)
      4.000     2.000     2.000 peak   311 spectrum    1 weight  0.10000E+01 volume  0.11294E-02 ppm1      4.055 ppm2      1.005 CV     1
 OR {  311}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 23   and name HG1%)
 OR {  311}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 21   and name HG2%)
 ASSI {  317}
   (( segid "    " and resid 13   and name HA  ))
   (  segid "    " and resid 23   and name HG1%)
      2.800     1.000     1.000 peak   317 spectrum    1 weight  0.10000E+01 volume  0.31067E-02 ppm1      3.946 ppm2      0.980 CV     1
 OR {  317}
   (( segid "    " and resid 13   and name HA  ))
   (  segid "    " and resid 23   and name HG2%)
 OR {  317}
   (( segid "    " and resid 17   and name HA  ))
   (  segid "    " and resid 18   and name HG2%)
 OR {  317}
   (( segid "    " and resid 13   and name HA  ))
   (  segid "    " and resid 15   and name HG1%)
 OR {  317}
   (( segid "    " and resid 17   and name HA  ))
   (  segid "    " and resid 46   and name HG2%)
 ASSI {  318}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 16   and name HB1 ))
      3.000     1.200     1.200 peak   318 spectrum    1 weight  0.10000E+01 volume  0.16763E-02 ppm1      3.944 ppm2      3.106 CV     1
 OR {  318}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 16   and name HB1 ))
 ASSI {  319}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
      2.900     1.000     1.000 peak   319 spectrum    1 weight  0.10000E+01 volume  0.32227E-02 ppm1      3.946 ppm2      2.749 CV     1
 OR {  319}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
 ASSI {  323}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      3.400     1.400     1.400 peak   323 spectrum    1 weight  0.10000E+01 volume  0.13398E-02 ppm1      3.946 ppm2      8.689 CV     1
 OR {  323}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
 ASSI {  324}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      3.400     1.400     1.400 peak   324 spectrum    1 weight  0.10000E+01 volume  0.11112E-02 ppm1      3.941 ppm2      8.194 CV     1
 OR {  324}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
 ASSI {  327}
   (( segid "    " and resid 13   and name HG1 ))
   (  segid "    " and resid 23   and name HG1%)
      4.400     2.400     1.600 peak   327 spectrum    1 weight  0.10000E+01 volume  0.55697E-03 ppm1      2.616 ppm2      0.987 CV     1
 OR {  327}
   (( segid "    " and resid 13   and name HG1 ))
   (  segid "    " and resid 23   and name HG2%)
 OR {  327}
   (( segid "    " and resid 13   and name HG1 ))
   (  segid "    " and resid 15   and name HG1%)
 ASSI {  349}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 17   and name HG2 ))
      2.400     0.700     0.700 peak   349 spectrum    1 weight  0.10000E+01 volume  0.24772E-02 ppm1      3.821 ppm2      2.258 CV     1
 OR {  349}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 17   and name HB1 ))
 OR {  349}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 13   and name HB2 ))
 OR {  349}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 13   and name HB1 ))
 ASSI {  352}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 18   and name HG11))
      4.300     2.300     1.700 peak   352 spectrum    1 weight  0.10000E+01 volume  0.51209E-03 ppm1      3.827 ppm2      1.651 CV     1
 OR {  352}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 18   and name HB  ))
 OR {  352}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 53   and name HB1 ))
 OR {  352}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 12   and name HB% )
 ASSI {  353}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 49   and name HB% )
      4.300     2.300     1.700 peak   353 spectrum    1 weight  0.10000E+01 volume  0.92485E-03 ppm1      3.820 ppm2      1.522 CV     1
 OR {  353}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 50   and name HB% )
 ASSI {  358}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 17   and name HG2 ))
      4.600     2.600     1.400 peak   358 spectrum    1 weight  0.10000E+01 volume  0.45168E-03 ppm1      1.066 ppm2      2.292 CV     1
 OR {  358}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 46   and name HB  ))
 OR {  358}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 15   and name HB  ))
 OR {  358}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 45   and name HB1 ))
 OR {  358}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 17   and name HB1 ))
 OR {  358}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 13   and name HB1 ))
 ASSI {  362}
   (( segid "    " and resid 14   and name HG11))
   (  segid "    " and resid 49   and name HB% )
      3.300     1.400     1.400 peak   362 spectrum    1 weight  0.10000E+01 volume  0.12999E-02 ppm1      1.991 ppm2      1.526 CV     1
 OR {  362}
   (( segid "    " and resid 5    and name HB2 ))
   (  segid "    " and resid 9    and name HB% )
 OR {  362}
   (( segid "    " and resid 14   and name HG11))
   (  segid "    " and resid 50   and name HB% )
 ASSI {  363}
   (( segid "    " and resid 14   and name HG12))
   (  segid "    " and resid 49   and name HB% )
      2.800     1.000     1.000 peak   363 spectrum    1 weight  0.10000E+01 volume  0.17085E-02 ppm1      1.056 ppm2      1.529 CV     1
 OR {  363}
   (( segid "    " and resid 14   and name HG12))
   (  segid "    " and resid 50   and name HB% )
 ASSI {  378}
   (  segid "    " and resid 15   and name HG2%)
   (  segid "    " and resid 32   and name HD% )
      3.200     1.300     1.300 peak   378 spectrum    1 weight  0.10000E+01 volume  0.12260E-02 ppm1      1.177 ppm2      7.180 CV     1
 OR {  378}
   (  segid "    " and resid 15   and name HG2%)
   (  segid "    " and resid 54   and name HE% )
 ASSI {  382}
   (  segid "    " and resid 46   and name HG2%)
   (  segid "    " and resid 32   and name HD% )
      3.500     1.500     1.500 peak   382 spectrum    1 weight  0.10000E+01 volume  0.73053E-03 ppm1      1.007 ppm2      7.172 CV     1
 OR {  382}
   (  segid "    " and resid 15   and name HG1%)
   (  segid "    " and resid 32   and name HD% )
 OR {  382}
   (  segid "    " and resid 46   and name HG2%)
   (  segid "    " and resid 54   and name HE% )
 ASSI {  383}
   (  segid "    " and resid 46   and name HG2%)
   (( segid "    " and resid 45   and name HN  ))
      3.900     1.900     1.900 peak   383 spectrum    1 weight  0.10000E+01 volume  0.11211E-02 ppm1      0.995 ppm2      6.991 CV     1
 OR {  383}
   (  segid "    " and resid 15   and name HG1%)
   (  segid "    " and resid 32   and name HE% )
 ASSI {  389}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 19   and name HN  ))
      4.100     2.100     1.900 peak   389 spectrum    1 weight  0.10000E+01 volume  0.56390E-03 ppm1      0.997 ppm2      8.469 CV     1
 OR {  389}
   (  segid "    " and resid 46   and name HG2%)
   (( segid "    " and resid 19   and name HN  ))
 ASSI {  399}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 21   and name HB  ))
      2.000     0.500     0.500 peak   399 spectrum    1 weight  0.10000E+01 volume  0.82383E-02 ppm1      1.001 ppm2      1.588 CV     1
 OR {  399}
   (  segid "    " and resid 46   and name HG2%)
   (( segid "    " and resid 18   and name HB  ))
 OR {  399}
   (  segid "    " and resid 15   and name HG1%)
   (  segid "    " and resid 19   and name HB% )
 ASSI {  400}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 18   and name HB  ))
      2.800     1.000     1.000 peak   400 spectrum    1 weight  0.10000E+01 volume  0.24930E-02 ppm1      3.602 ppm2      1.627 CV     1
 OR {  400}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 18   and name HG11))
 OR {  400}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 21   and name HB  ))
 ASSI {  401}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 19   and name HB% )
      3.500     1.500     1.500 peak   401 spectrum    1 weight  0.10000E+01 volume  0.14750E-02 ppm1      3.598 ppm2      1.550 CV     1
 OR {  401}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 49   and name HB% )
 ASSI {  405}
   (( segid "    " and resid 15   and name HB  ))
   (  segid "    " and resid 15   and name HG2%)
      2.300     0.600     0.600 peak   405 spectrum    1 weight  0.10000E+01 volume  0.72451E-02 ppm1      2.249 ppm2      1.163 CV     1
 OR {  405}
   (( segid "    " and resid 44   and name HB  ))
   (  segid "    " and resid 44   and name HG2%)
 OR {  405}
   (( segid "    " and resid 47   and name HB  ))
   (  segid "    " and resid 48   and name HG2%)
 ASSI {  406}
   (  segid "    " and resid 15   and name HG2%)
   (  segid "    " and resid 46   and name HG1%)
      2.400     0.700     0.700 peak   406 spectrum    1 weight  0.10000E+01 volume  0.43814E-02 ppm1      1.178 ppm2      0.666 CV     1
 OR {  406}
   (  segid "    " and resid 15   and name HG2%)
   (  segid "    " and resid 36   and name HD1%)
 ASSI {  407}
   (  segid "    " and resid 46   and name HG2%)
   (  segid "    " and resid 46   and name HG1%)
      2.100     0.600     0.600 peak   407 spectrum    1 weight  0.10000E+01 volume  0.11443E-01 ppm1      0.985 ppm2      0.674 CV     1
 OR {  407}
   (  segid "    " and resid 15   and name HG1%)
   (  segid "    " and resid 46   and name HG1%)
 ASSI {  417}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 53   and name HD2 ))
      3.200     1.300     1.300 peak   417 spectrum    1 weight  0.10000E+01 volume  0.12722E-02 ppm1      0.738 ppm2      2.707 CV     1
 OR {  417}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 16   and name HB2 ))
 ASSI {  420}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 53   and name HB1 ))
      3.400     1.500     1.500 peak   420 spectrum    1 weight  0.10000E+01 volume  0.18790E-02 ppm1      0.741 ppm2      1.621 CV     1
 OR {  420}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 18   and name HG11))
 ASSI {  421}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 49   and name HB% )
      2.900     1.100     1.100 peak   421 spectrum    1 weight  0.10000E+01 volume  0.77470E-02 ppm1      0.738 ppm2      1.514 CV     1
 OR {  421}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 50   and name HB% )
 ASSI {  425}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 71   and name HN  ))
      3.100     1.200     1.200 peak   425 spectrum    1 weight  0.10000E+01 volume  0.20139E-02 ppm1      3.110 ppm2      8.400 CV     1
 OR {  425}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 17   and name HN  ))
 ASSI {  455}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 18   and name HN  ))
      2.900     1.100     1.100 peak   455 spectrum    1 weight  0.10000E+01 volume  0.24305E-02 ppm1      2.135 ppm2      8.216 CV     1
 OR {  455}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 53   and name HN  ))
 ASSI {  466}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      3.700     1.700     1.700 peak   466 spectrum    1 weight  0.10000E+01 volume  0.87524E-03 ppm1      3.935 ppm2      8.466 CV     1
 OR {  466}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
 ASSI {  478}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 42   and name HA  ))
      3.700     1.800     1.800 peak   478 spectrum    1 weight  0.10000E+01 volume  0.12864E-02 ppm1      0.952 ppm2      4.271 CV     1
 OR {  478}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 49   and name HA  ))
 OR {  478}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 21   and name HA  ))
 ASSI {  479}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 49   and name HA  ))
      4.400     2.400     1.600 peak   479 spectrum    1 weight  0.10000E+01 volume  0.82955E-03 ppm1      0.779 ppm2      4.246 CV     1
 OR {  479}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 42   and name HA  ))
 ASSI {  484}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 17   and name HG1 ))
      4.100     2.100     1.900 peak   484 spectrum    1 weight  0.10000E+01 volume  0.66233E-03 ppm1      0.780 ppm2      2.445 CV     1
 OR {  484}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 45   and name HG1 ))
 ASSI {  488}
   (  segid "    " and resid 18   and name HD1%)
   (  segid "    " and resid 49   and name HB% )
      2.700     0.900     0.900 peak   488 spectrum    1 weight  0.10000E+01 volume  0.51717E-02 ppm1      0.781 ppm2      1.524 CV     1
 OR {  488}
   (  segid "    " and resid 18   and name HD1%)
   (  segid "    " and resid 19   and name HB% )
 ASSI {  494}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 49   and name HN  ))
      4.400     2.400     1.600 peak   494 spectrum    1 weight  0.10000E+01 volume  0.35423E-03 ppm1      0.783 ppm2      7.916 CV     1
 OR {  494}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 47   and name HN  ))
 ASSI {  501}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 38   and name HA  ))
      3.100     1.200     1.200 peak   501 spectrum    1 weight  0.10000E+01 volume  0.14293E-02 ppm1      1.541 ppm2      3.953 CV     1
 OR {  501}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 20   and name HA2 ))
 OR {  501}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 43   and name HA  ))
 ASSI {  520}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 22   and name HD2 ))
      2.300     0.700     0.700 peak   520 spectrum    1 weight  0.10000E+01 volume  0.54021E-02 ppm1      4.317 ppm2      3.701 CV     1
 OR {  520}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 40   and name H28A))
 ASSI {  521}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 22   and name HD1 ))
      2.000     0.500     0.500 peak   521 spectrum    1 weight  0.10000E+01 volume  0.91785E-02 ppm1      4.318 ppm2      4.042 CV     1
 OR {  521}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 40   and name H32A))
 ASSI {  547}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HD1 ))
      3.200     1.300     1.300 peak   547 spectrum    1 weight  0.10000E+01 volume  0.13040E-02 ppm1      4.311 ppm2      4.038 CV     1
 OR {  547}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 24   and name HA  ))
 ASSI {  616}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      3.000     1.100     1.100 peak   616 spectrum    1 weight  0.10000E+01 volume  0.14309E-02 ppm1      4.040 ppm2      7.737 CV     1
 OR {  616}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 48   and name HN  ))
 OR {  616}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 66   and name HN  ))
 ASSI {  618}
   (( segid "    " and resid 52   and name HG2 ))
   (( segid "    " and resid 52   and name HN  ))
      4.100     2.100     1.900 peak   618 spectrum    1 weight  0.10000E+01 volume  0.98032E-03 ppm1      2.288 ppm2      7.733 CV     1
 OR {  618}
   (( segid "    " and resid 24   and name HG1 ))
   (( segid "    " and resid 25   and name HN  ))
 OR {  618}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 25   and name HN  ))
 ASSI {  622}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 26   and name HN  ))
      3.700     1.700     1.700 peak   622 spectrum    1 weight  0.10000E+01 volume  0.83510E-03 ppm1      2.679 ppm2      7.500 CV     1
 OR {  622}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 62   and name HN  ))
 ASSI {  628}
   (( segid "    " and resid 25   and name HB1 ))
   (  segid "    " and resid 36   and name HD2%)
      3.600     1.700     1.700 peak   628 spectrum    1 weight  0.10000E+01 volume  0.50413E-03 ppm1      2.685 ppm2      0.765 CV     1
 OR {  628}
   (( segid "    " and resid 25   and name HB1 ))
   (  segid "    " and resid 26   and name HG1%)
 ASSI {  640}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 36   and name HD1%)
      3.100     1.200     1.200 peak   640 spectrum    1 weight  0.10000E+01 volume  0.14547E-02 ppm1      3.542 ppm2      0.621 CV     1
 OR {  640}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 69   and name HG2%)
 ASSI {  643}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 30   and name HB1 ))
      4.100     2.100     1.900 peak   643 spectrum    1 weight  0.10000E+01 volume  0.66298E-03 ppm1      3.539 ppm2      2.057 CV     1
 OR {  643}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 27   and name HB1 ))
 ASSI {  644}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 30   and name HG1 ))
      3.500     1.500     1.500 peak   644 spectrum    1 weight  0.10000E+01 volume  0.71592E-03 ppm1      3.540 ppm2      1.798 CV     1
 OR {  644}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 27   and name HD2 ))
 ASSI {  646}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 27   and name HB2 ))
      4.700     2.800     1.300 peak   646 spectrum    1 weight  0.10000E+01 volume  0.59746E-03 ppm1      3.540 ppm2      1.551 CV     1
 OR {  646}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 30   and name HD1 ))
 OR {  646}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 36   and name HB2 ))
 ASSI {  647}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 36   and name HG  ))
      4.500     2.600     1.500 peak   647 spectrum    1 weight  0.10000E+01 volume  0.70081E-03 ppm1      3.542 ppm2      1.516 CV     1
 OR {  647}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 27   and name HB2 ))
 OR {  647}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 30   and name HD2 ))
 OR {  647}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 30   and name HD1 ))
 ASSI {  648}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 30   and name HB2 ))
      3.400     1.400     1.400 peak   648 spectrum    1 weight  0.10000E+01 volume  0.12367E-02 ppm1      3.542 ppm2      1.342 CV     1
 OR {  648}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 30   and name HG2 ))
 OR {  648}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 27   and name HG2 ))
 OR {  648}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 27   and name HG1 ))
 ASSI {  654}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 30   and name HB1 ))
      4.300     2.300     1.700 peak   654 spectrum    1 weight  0.10000E+01 volume  0.62711E-03 ppm1      0.745 ppm2      2.047 CV     1
 OR {  654}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 8    and name HB  ))
 OR {  654}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 27   and name HB1 ))
 ASSI {  657}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 12   and name HA  ))
      2.900     1.000     1.000 peak   657 spectrum    1 weight  0.10000E+01 volume  0.65181E-02 ppm1      0.743 ppm2      4.055 CV     1
 OR {  657}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 32   and name HA  ))
 ASSI {  659}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 8    and name HA  ))
      3.800     1.900     1.900 peak   659 spectrum    1 weight  0.10000E+01 volume  0.73425E-03 ppm1      0.744 ppm2      3.389 CV     1
 OR {  659}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 69   and name HA  ))
 ASSI {  704}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 4    and name HA  ))
      4.000     2.000     2.000 peak   704 spectrum    1 weight  0.10000E+01 volume  0.19692E-02 ppm1      0.812 ppm2      3.683 CV     1
 OR {  704}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 73   and name HA  ))
 ASSI {  706}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 69   and name HB  ))
      3.100     1.200     1.200 peak   706 spectrum    1 weight  0.10000E+01 volume  0.53200E-02 ppm1      3.582 ppm2      2.281 CV     1
 OR {  706}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 4    and name HG1 ))
 ASSI {  714}
   (( segid "    " and resid 28   and name HA  ))
   (  segid "    " and resid 8    and name HG2%)
      4.300     2.300     1.700 peak   714 spectrum    1 weight  0.10000E+01 volume  0.50138E-03 ppm1      3.581 ppm2      1.046 CV     1
 OR {  714}
   (( segid "    " and resid 28   and name HA  ))
   (  segid "    " and resid 68   and name HG2%)
 ASSI {  720}
   (  segid "    " and resid 28   and name HD1%)
   (  segid "    " and resid 8    and name HG2%)
      2.800     1.000     1.000 peak   720 spectrum    1 weight  0.10000E+01 volume  0.44894E-02 ppm1      0.811 ppm2      1.072 CV     1
 OR {  720}
   (  segid "    " and resid 28   and name HD1%)
   (  segid "    " and resid 73   and name HG2%)
 ASSI {  729}
   (( segid "    " and resid 29   and name HA  ))
   (  segid "    " and resid 68   and name HG2%)
      3.600     1.600     1.600 peak   729 spectrum    1 weight  0.10000E+01 volume  0.90162E-03 ppm1      4.486 ppm2      1.054 CV     1
 OR {  729}
   (( segid "    " and resid 29   and name HA  ))
   (  segid "    " and resid 8    and name HG2%)
 ASSI {  753}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 26   and name HA  ))
      4.500     2.500     1.500 peak   753 spectrum    1 weight  0.10000E+01 volume  0.61382E-03 ppm1      1.347 ppm2      3.537 CV     1
 OR {  753}
   (( segid "    " and resid 27   and name HG2 ))
   (( segid "    " and resid 26   and name HA  ))
 OR {  753}
   (( segid "    " and resid 27   and name HG1 ))
   (( segid "    " and resid 26   and name HA  ))
 ASSI {  766}
   (( segid "    " and resid 66   and name HG  ))
   (( segid "    " and resid 65   and name HB2 ))
      4.000     2.000     2.000 peak   766 spectrum    1 weight  0.10000E+01 volume  0.46942E-03 ppm1      1.804 ppm2      2.701 CV     1
 OR {  766}
   (( segid "    " and resid 30   and name HG1 ))
   (( segid "    " and resid 35   and name HB2 ))
 ASSI {  767}
   (( segid "    " and resid 30   and name HD1 ))
   (( segid "    " and resid 35   and name HB2 ))
      4.000     2.000     2.000 peak   767 spectrum    1 weight  0.10000E+01 volume  0.10442E-02 ppm1      1.557 ppm2      2.721 CV     1
 OR {  767}
   (( segid "    " and resid 7    and name HG11))
   (( segid "    " and resid 54   and name HB2 ))
 ASSI {  770}
   (( segid "    " and resid 30   and name HB1 ))
   (  segid "    " and resid 36   and name HD1%)
      3.800     1.800     1.800 peak   770 spectrum    1 weight  0.10000E+01 volume  0.70013E-03 ppm1      2.059 ppm2      0.626 CV     1
 OR {  770}
   (( segid "    " and resid 30   and name HB1 ))
   (  segid "    " and resid 69   and name HG2%)
 ASSI {  772}
   (( segid "    " and resid 30   and name HB2 ))
   (  segid "    " and resid 36   and name HD1%)
      3.500     1.500     1.500 peak   772 spectrum    1 weight  0.10000E+01 volume  0.50285E-03 ppm1      1.366 ppm2      0.625 CV     1
 OR {  772}
   (( segid "    " and resid 30   and name HB2 ))
   (  segid "    " and resid 69   and name HG2%)
 ASSI {  796}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 68   and name HA  ))
      4.400     2.400     1.600 peak   796 spectrum    1 weight  0.10000E+01 volume  0.68330E-03 ppm1      4.086 ppm2      5.226 CV     1
 OR {  796}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 68   and name HA  ))
 ASSI {  799}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 35   and name HN  ))
      3.400     1.500     1.500 peak   799 spectrum    1 weight  0.10000E+01 volume  0.84837E-03 ppm1      4.096 ppm2      7.675 CV     1
 OR {  799}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
 ASSI {  806}
   (( segid "    " and resid 31   and name HB1 ))
   (  segid "    " and resid 68   and name HG2%)
      3.400     1.400     1.400 peak   806 spectrum    1 weight  0.10000E+01 volume  0.17246E-02 ppm1      4.088 ppm2      1.047 CV     1
 OR {  806}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 68   and name HG2%)
 ASSI {  814}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 36   and name HN  ))
      3.700     1.700     1.700 peak   814 spectrum    1 weight  0.10000E+01 volume  0.86114E-03 ppm1      4.076 ppm2      7.496 CV     1
 OR {  814}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 36   and name HN  ))
 ASSI {  822}
   (  segid "    " and resid 32   and name HD% )
   (  segid "    " and resid 38   and name HG1%)
      3.000     1.100     1.100 peak   822 spectrum    1 weight  0.10000E+01 volume  0.18264E-02 ppm1      7.178 ppm2      0.940 CV     1
 OR {  822}
   (  segid "    " and resid 32   and name HD% )
   (( segid "    " and resid 66   and name HB2 ))
 OR {  822}
   (  segid "    " and resid 32   and name HD% )
   (  segid "    " and resid 38   and name HG2%)
 OR {  822}
   (  segid "    " and resid 32   and name HD% )
   (  segid "    " and resid 26   and name HG2%)
 OR {  822}
   (  segid "    " and resid 32   and name HD% )
   (( segid "    " and resid 40   and name H7A ))
 OR {  822}
   (  segid "    " and resid 32   and name HD% )
   (( segid "    " and resid 40   and name H7B ))
 ASSI {  823}
   (  segid "    " and resid 32   and name HD% )
   (  segid "    " and resid 36   and name HD1%)
      3.100     1.200     1.200 peak   823 spectrum    1 weight  0.10000E+01 volume  0.13094E-02 ppm1      7.177 ppm2      0.621 CV     1
 OR {  823}
   (  segid "    " and resid 32   and name HD% )
   (  segid "    " and resid 69   and name HG2%)
 ASSI {  825}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 72   and name HA  ))
      2.400     0.700     0.700 peak   825 spectrum    1 weight  0.10000E+01 volume  0.25261E-02 ppm1      3.162 ppm2      4.082 CV     1
 OR {  825}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 32   and name HA  ))
 OR {  825}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 72   and name HA  ))
 ASSI {  826}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 38   and name HB  ))
      3.600     1.600     1.600 peak   826 spectrum    1 weight  0.10000E+01 volume  0.83529E-03 ppm1      3.156 ppm2      1.901 CV     1
 OR {  826}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 74   and name HB2 ))
 OR {  826}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 74   and name HB2 ))
 ASSI {  827}
   (( segid "    " and resid 32   and name HB1 ))
   (  segid "    " and resid 43   and name HE% )
      4.800     2.900     1.200 peak   827 spectrum    1 weight  0.10000E+01 volume  0.37702E-03 ppm1      3.176 ppm2      1.436 CV     1
 OR {  827}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 36   and name HG  ))
 ASSI {  830}
   (( segid "    " and resid 32   and name HB1 ))
   (  segid "    " and resid 38   and name HG1%)
      3.300     1.400     1.400 peak   830 spectrum    1 weight  0.10000E+01 volume  0.10835E-02 ppm1      3.176 ppm2      0.933 CV     1
 OR {  830}
   (( segid "    " and resid 32   and name HB1 ))
   (  segid "    " and resid 38   and name HG2%)
 OR {  830}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 66   and name HB2 ))
 OR {  830}
   (( segid "    " and resid 32   and name HB1 ))
   (  segid "    " and resid 11   and name HD2%)
 OR {  830}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 40   and name H7A ))
 OR {  830}
   (( segid "    " and resid 32   and name HB1 ))
   (  segid "    " and resid 26   and name HG2%)
 ASSI {  832}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 69   and name HG1%)
      4.700     2.800     1.300 peak   832 spectrum    1 weight  0.10000E+01 volume  0.29762E-03 ppm1      4.076 ppm2      0.444 CV     1
 OR {  832}
   (( segid "    " and resid 31   and name HB1 ))
   (  segid "    " and resid 69   and name HG1%)
 ASSI {  833}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 38   and name HG1%)
      3.400     1.400     1.400 peak   833 spectrum    1 weight  0.10000E+01 volume  0.17391E-02 ppm1      4.077 ppm2      0.939 CV     1
 OR {  833}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 26   and name HG2%)
 OR {  833}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 38   and name HG2%)
 OR {  833}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 11   and name HD2%)
 OR {  833}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 46   and name HG2%)
 OR {  833}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 66   and name HB2 ))
 ASSI {  844}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 38   and name HN  ))
      3.800     1.800     1.800 peak   844 spectrum    1 weight  0.10000E+01 volume  0.52557E-03 ppm1      1.289 ppm2      8.045 CV     1
 OR {  844}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 40   and name H36A))
 ASSI {  871}
   (( segid "    " and resid 35   and name HB2 ))
   (  segid "    " and resid 36   and name HD1%)
      4.800     2.900     1.200 peak   871 spectrum    1 weight  0.10000E+01 volume  0.34003E-03 ppm1      2.721 ppm2      0.621 CV     1
 OR {  871}
   (( segid "    " and resid 35   and name HB2 ))
   (  segid "    " and resid 69   and name HG2%)
 ASSI {  872}
   (( segid "    " and resid 35   and name HB1 ))
   (  segid "    " and resid 36   and name HD1%)
      5.700     4.000     0.300 peak   872 spectrum    1 weight  0.10000E+01 volume  0.23597E-03 ppm1      3.043 ppm2      0.625 CV     1
 OR {  872}
   (( segid "    " and resid 35   and name HB1 ))
   (  segid "    " and resid 69   and name HG2%)
 ASSI {  875}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 30   and name HD1 ))
      4.000     2.000     2.000 peak   875 spectrum    1 weight  0.10000E+01 volume  0.11571E-02 ppm1      2.720 ppm2      1.571 CV     1
 OR {  875}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 36   and name HB2 ))
 ASSI {  882}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 30   and name HA  ))
      3.900     1.900     1.900 peak   882 spectrum    1 weight  0.10000E+01 volume  0.80389E-03 ppm1      3.036 ppm2      4.404 CV     1
 OR {  882}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 36   and name HA  ))
 ASSI {  883}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 30   and name HA  ))
      3.400     1.500     1.500 peak   883 spectrum    1 weight  0.10000E+01 volume  0.96280E-03 ppm1      2.722 ppm2      4.399 CV     1
 OR {  883}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 36   and name HA  ))
 ASSI {  892}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 32   and name HN  ))
      4.700     2.700     1.300 peak   892 spectrum    1 weight  0.10000E+01 volume  0.26849E-03 ppm1      0.620 ppm2      8.143 CV     1
 OR {  892}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 69   and name HN  ))
 ASSI {  903}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 32   and name HA  ))
      2.600     0.900     0.900 peak   903 spectrum    1 weight  0.10000E+01 volume  0.13608E-02 ppm1      1.593 ppm2      4.076 CV     1
 OR {  903}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 40   and name H32A))
 ASSI {  909}
   (( segid "    " and resid 36   and name HA  ))
   (  segid "    " and resid 21   and name HG2%)
      3.600     1.600     1.600 peak   909 spectrum    1 weight  0.10000E+01 volume  0.44788E-03 ppm1      4.364 ppm2      1.003 CV     1
 OR {  909}
   (( segid "    " and resid 36   and name HA  ))
   (  segid "    " and resid 15   and name HG1%)
 ASSI {  910}
   (( segid "    " and resid 36   and name HA  ))
   (  segid "    " and resid 21   and name HG2%)
      3.600     1.600     1.600 peak   910 spectrum    1 weight  0.10000E+01 volume  0.65458E-03 ppm1      4.354 ppm2      0.956 CV     1
 OR {  910}
   (( segid "    " and resid 36   and name HA  ))
   (  segid "    " and resid 26   and name HG2%)
 OR {  910}
   (( segid "    " and resid 36   and name HA  ))
   (  segid "    " and resid 15   and name HG1%)
 OR {  910}
   (( segid "    " and resid 36   and name HA  ))
   (  segid "    " and resid 38   and name HG2%)
 ASSI {  924}
   (  segid "    " and resid 36   and name HD1%)
   (  segid "    " and resid 26   and name HG2%)
      2.500     0.800     0.800 peak   924 spectrum    1 weight  0.10000E+01 volume  0.34502E-02 ppm1      0.621 ppm2      0.922 CV     1
 OR {  924}
   (  segid "    " and resid 36   and name HD1%)
   (  segid "    " and resid 38   and name HG2%)
 ASSI {  941}
   (  segid "    " and resid 36   and name HD1%)
   (  segid "    " and resid 15   and name HG1%)
      2.800     1.000     1.000 peak   941 spectrum    1 weight  0.10000E+01 volume  0.31690E-02 ppm1      0.616 ppm2      0.992 CV     1
 OR {  941}
   (  segid "    " and resid 36   and name HD1%)
   (  segid "    " and resid 21   and name HG2%)
 ASSI {  944}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 32   and name HA  ))
      2.700     2.700     3.300 peak   944 spectrum    1 weight  0.10000E+01 volume  0.79087E-03 ppm1      0.778 ppm2      4.069 CV     1
 OR {  944}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 12   and name HA  ))
 OR {  944}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 31   and name HB1 ))
 ASSI {  963}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 39   and name HN  ))
      3.100     1.200     1.200 peak   963 spectrum    1 weight  0.10000E+01 volume  0.42056E-02 ppm1      0.931 ppm2      8.295 CV     1
 OR {  963}
   (  segid "    " and resid 38   and name HG1%)
   (( segid "    " and resid 39   and name HN  ))
 OR {  963}
   (  segid "    " and resid 38   and name HG1%)
   (( segid "    " and resid 43   and name HN  ))
 ASSI {  970}
   (  segid "    " and resid 38   and name HG1%)
   (( segid "    " and resid 36   and name HA  ))
      2.700     2.700     3.300 peak   970 spectrum    1 weight  0.10000E+01 volume  0.81528E-03 ppm1      0.940 ppm2      4.364 CV     1
 OR {  970}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 36   and name HA  ))
 OR {  970}
   (  segid "    " and resid 38   and name HG1%)
   (( segid "    " and resid 21   and name HA  ))
 OR {  970}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 21   and name HA  ))
 ASSI {  972}
   (  segid "    " and resid 38   and name HG1%)
   (( segid "    " and resid 32   and name HA  ))
      3.200     1.300     1.300 peak   972 spectrum    1 weight  0.10000E+01 volume  0.21799E-02 ppm1      0.939 ppm2      4.094 CV     1
 OR {  972}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 40   and name HA  ))
 OR {  972}
   (  segid "    " and resid 38   and name HG1%)
   (( segid "    " and resid 40   and name HA  ))
 OR {  972}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 32   and name HA  ))
 OR {  972}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 40   and name HB1 ))
 OR {  972}
   (  segid "    " and resid 38   and name HG1%)
   (( segid "    " and resid 45   and name HA  ))
 ASSI {  979}
   (  segid "    " and resid 38   and name HG1%)
   (( segid "    " and resid 36   and name HB1 ))
      2.800     1.000     1.000 peak   979 spectrum    1 weight  0.10000E+01 volume  0.35535E-02 ppm1      0.940 ppm2      2.319 CV     1
 OR {  979}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 46   and name HB  ))
 OR {  979}
   (  segid "    " and resid 38   and name HG1%)
   (( segid "    " and resid 46   and name HB  ))
 OR {  979}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 36   and name HB1 ))
 OR {  979}
   (  segid "    " and resid 38   and name HG1%)
   (( segid "    " and resid 45   and name HB1 ))
 ASSI { 1012}
   (( segid "    " and resid 40   and name HA  ))
   (  segid "    " and resid 40   and name H30%)
      4.000     2.000     2.000 peak  1012 spectrum    1 weight  0.10000E+01 volume  0.82720E-03 ppm1      4.108 ppm2      0.881 CV     1
 OR { 1012}
   (( segid "    " and resid 40   and name HA  ))
   (  segid "    " and resid 40   and name H31%)
 OR { 1012}
   (( segid "    " and resid 40   and name HA  ))
   (  segid "    " and resid 41   and name HD1%)
 ASSI { 1027}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 13   and name HB2 ))
      4.100     2.100     1.900 peak  1027 spectrum    1 weight  0.10000E+01 volume  0.73871E-03 ppm1      4.289 ppm2      2.256 CV     1
 OR { 1027}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 15   and name HB  ))
 OR { 1027}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 44   and name HB  ))
 OR { 1027}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 43   and name HG2 ))
 OR { 1027}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 13   and name HG2 ))
 OR { 1027}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 43   and name HG1 ))
 OR { 1027}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 13   and name HB1 ))
 OR { 1027}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 15   and name HB  ))
 OR { 1027}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 46   and name HB  ))
 OR { 1027}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 69   and name HB  ))
 OR { 1027}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 17   and name HG2 ))
 ASSI { 1034}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 15   and name HG2%)
      3.100     1.200     1.200 peak  1034 spectrum    1 weight  0.10000E+01 volume  0.21901E-02 ppm1      4.280 ppm2      1.128 CV     1
 OR { 1034}
   (( segid "    " and resid 41   and name HA  ))
   (  segid "    " and resid 44   and name HG2%)
 OR { 1034}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 15   and name HG2%)
 ASSI { 1045}
   (( segid "    " and resid 38   and name HA  ))
   (  segid "    " and resid 38   and name HG2%)
      2.200     0.600     0.600 peak  1045 spectrum    1 weight  0.10000E+01 volume  0.10680E-01 ppm1      3.972 ppm2      0.938 CV     1
 OR { 1045}
   (( segid "    " and resid 38   and name HA  ))
   (  segid "    " and resid 38   and name HG1%)
 OR { 1045}
   (( segid "    " and resid 38   and name HA  ))
   (  segid "    " and resid 46   and name HG2%)
 OR { 1045}
   (( segid "    " and resid 42   and name HB1 ))
   (  segid "    " and resid 41   and name HD1%)
 ASSI { 1046}
   (( segid "    " and resid 42   and name HB2 ))
   (  segid "    " and resid 18   and name HG2%)
      2.800     1.000     1.000 peak  1046 spectrum    1 weight  0.10000E+01 volume  0.37468E-02 ppm1      3.624 ppm2      0.945 CV     1
 OR { 1046}
   (( segid "    " and resid 42   and name HB2 ))
   (  segid "    " and resid 41   and name HD1%)
 OR { 1046}
   (( segid "    " and resid 42   and name HB2 ))
   (  segid "    " and resid 38   and name HG1%)
 ASSI { 1051}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 44   and name HB  ))
      4.600     2.700     1.400 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.23877E-03 ppm1      4.271 ppm2      2.196 CV     1
 OR { 1051}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 45   and name HB2 ))
 OR { 1051}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 43   and name HG1 ))
 ASSI { 1071}
   (( segid "    " and resid 44   and name HB  ))
   (( segid "    " and resid 42   and name HA  ))
      3.700     1.700     1.700 peak  1071 spectrum    1 weight  0.10000E+01 volume  0.82745E-03 ppm1      2.237 ppm2      4.276 CV     1
 OR { 1071}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 11   and name HA  ))
 OR { 1071}
   (( segid "    " and resid 44   and name HB  ))
   (( segid "    " and resid 41   and name HA  ))
 OR { 1071}
   (( segid "    " and resid 43   and name HG2 ))
   (( segid "    " and resid 41   and name HA  ))
 OR { 1071}
   (( segid "    " and resid 43   and name HG1 ))
   (( segid "    " and resid 41   and name HA  ))
 OR { 1071}
   (( segid "    " and resid 43   and name HG2 ))
   (( segid "    " and resid 42   and name HA  ))
 OR { 1071}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 21   and name HA  ))
 OR { 1071}
   (( segid "    " and resid 43   and name HG1 ))
   (( segid "    " and resid 42   and name HA  ))
 ASSI { 1073}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 46   and name HB  ))
      2.700     0.900     0.900 peak  1073 spectrum    1 weight  0.10000E+01 volume  0.47382E-02 ppm1      3.934 ppm2      2.300 CV     1
 OR { 1073}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 45   and name HB1 ))
 OR { 1073}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 45   and name HG2 ))
 ASSI { 1087}
   (( segid "    " and resid 43   and name HG1 ))
   (( segid "    " and resid 43   and name HA  ))
      3.800     1.800     1.800 peak  1087 spectrum    1 weight  0.10000E+01 volume  0.82549E-03 ppm1      2.255 ppm2      3.932 CV     1
 OR { 1087}
   (( segid "    " and resid 43   and name HG2 ))
   (( segid "    " and resid 43   and name HA  ))
 OR { 1087}
   (( segid "    " and resid 47   and name HB  ))
   (( segid "    " and resid 48   and name HA  ))
 OR { 1087}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 13   and name HA  ))
 OR { 1087}
   (( segid "    " and resid 44   and name HB  ))
   (( segid "    " and resid 43   and name HA  ))
 ASSI { 1091}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 43   and name HN  ))
      3.900     1.900     1.900 peak  1091 spectrum    1 weight  0.10000E+01 volume  0.83098E-03 ppm1      1.130 ppm2      8.274 CV     1
 OR { 1091}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 40   and name H41A))
 ASSI { 1096}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 40   and name H36A))
      3.400     1.500     1.500 peak  1096 spectrum    1 weight  0.10000E+01 volume  0.62452E-03 ppm1      1.128 ppm2      8.065 CV     1
 OR { 1096}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 46   and name HN  ))
 ASSI { 1108}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 47   and name HG1%)
      2.900     1.000     1.000 peak  1108 spectrum    1 weight  0.10000E+01 volume  0.67409E-02 ppm1      1.131 ppm2      0.868 CV     1
 OR { 1108}
   (  segid "    " and resid 44   and name HG2%)
   (  segid "    " and resid 63   and name HG2%)
 OR { 1108}
   (  segid "    " and resid 44   and name HG2%)
   (  segid "    " and resid 47   and name HG1%)
 ASSI { 1116}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      3.700     1.700     1.700 peak  1116 spectrum    1 weight  0.10000E+01 volume  0.71049E-03 ppm1      4.076 ppm2      8.115 CV     1
 OR { 1116}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 54   and name HN  ))
 ASSI { 1120}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 18   and name HD1%)
      4.800     2.900     1.200 peak  1120 spectrum    1 weight  0.10000E+01 volume  0.49120E-03 ppm1      4.070 ppm2      0.792 CV     1
 OR { 1120}
   (( segid "    " and resid 24   and name HA  ))
   (  segid "    " and resid 26   and name HG1%)
 ASSI { 1126}
   (( segid "    " and resid 17   and name HG1 ))
   (  segid "    " and resid 18   and name HD1%)
      4.100     2.100     1.900 peak  1126 spectrum    1 weight  0.10000E+01 volume  0.79668E-03 ppm1      2.456 ppm2      0.777 CV     1
 OR { 1126}
   (( segid "    " and resid 45   and name HG1 ))
   (  segid "    " and resid 18   and name HD1%)
 OR { 1126}
   (( segid "    " and resid 17   and name HG1 ))
   (  segid "    " and resid 14   and name HD1%)
 ASSI { 1127}
   (( segid "    " and resid 13   and name HG2 ))
   (  segid "    " and resid 14   and name HD1%)
      4.100     2.100     1.900 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.13365E-02 ppm1      2.287 ppm2      0.781 CV     1
 OR { 1127}
   (( segid "    " and resid 45   and name HG2 ))
   (  segid "    " and resid 18   and name HD1%)
 OR { 1127}
   (( segid "    " and resid 17   and name HG2 ))
   (  segid "    " and resid 18   and name HD1%)
 ASSI { 1129}
   (( segid "    " and resid 45   and name HG1 ))
   (  segid "    " and resid 44   and name HG1%)
      3.700     1.700     1.700 peak  1129 spectrum    1 weight  0.10000E+01 volume  0.15641E-02 ppm1      2.454 ppm2      0.986 CV     1
 OR { 1129}
   (( segid "    " and resid 45   and name HG1 ))
   (  segid "    " and resid 18   and name HG2%)
 OR { 1129}
   (( segid "    " and resid 17   and name HG1 ))
   (  segid "    " and resid 18   and name HG2%)
 OR { 1129}
   (( segid "    " and resid 17   and name HG1 ))
   (  segid "    " and resid 46   and name HG2%)
 OR { 1129}
   (( segid "    " and resid 45   and name HG1 ))
   (  segid "    " and resid 46   and name HG2%)
 OR { 1129}
   (( segid "    " and resid 45   and name HG1 ))
   (  segid "    " and resid 47   and name HG2%)
 ASSI { 1131}
   (( segid "    " and resid 24   and name HG1 ))
   (  segid "    " and resid 23   and name HG2%)
      3.000     1.100     1.100 peak  1131 spectrum    1 weight  0.10000E+01 volume  0.22829E-02 ppm1      2.282 ppm2      0.970 CV     1
 OR { 1131}
   (( segid "    " and resid 24   and name HG2 ))
   (  segid "    " and resid 23   and name HG2%)
 OR { 1131}
   (( segid "    " and resid 45   and name HG2 ))
   (  segid "    " and resid 18   and name HG2%)
 OR { 1131}
   (( segid "    " and resid 45   and name HG2 ))
   (  segid "    " and resid 44   and name HG1%)
 OR { 1131}
   (( segid "    " and resid 45   and name HG2 ))
   (  segid "    " and resid 46   and name HG2%)
 OR { 1131}
   (( segid "    " and resid 13   and name HG2 ))
   (  segid "    " and resid 23   and name HG1%)
 OR { 1131}
   (( segid "    " and resid 17   and name HG2 ))
   (  segid "    " and resid 46   and name HG2%)
 OR { 1131}
   (( segid "    " and resid 17   and name HG2 ))
   (  segid "    " and resid 18   and name HG2%)
 ASSI { 1132}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 44   and name HG1%)
      3.300     1.400     1.400 peak  1132 spectrum    1 weight  0.10000E+01 volume  0.23872E-02 ppm1      4.067 ppm2      0.988 CV     1
 OR { 1132}
   (( segid "    " and resid 24   and name HA  ))
   (  segid "    " and resid 23   and name HG2%)
 OR { 1132}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 48   and name HG1%)
 OR { 1132}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 47   and name HG2%)
 OR { 1132}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 18   and name HG2%)
 OR { 1132}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 46   and name HG2%)
 ASSI { 1134}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 18   and name HG2%)
      2.900     1.000     1.000 peak  1134 spectrum    1 weight  0.10000E+01 volume  0.16774E-02 ppm1      2.165 ppm2      0.958 CV     1
 OR { 1134}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 46   and name HG2%)
 OR { 1134}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 44   and name HG1%)
 OR { 1134}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 38   and name HG1%)
 ASSI { 1138}
   (( segid "    " and resid 46   and name HB  ))
   (( segid "    " and resid 43   and name HA  ))
      3.000     1.100     1.100 peak  1138 spectrum    1 weight  0.10000E+01 volume  0.27466E-02 ppm1      2.310 ppm2      3.931 CV     1
 OR { 1138}
   (( segid "    " and resid 47   and name HB  ))
   (( segid "    " and resid 48   and name HA  ))
 ASSI { 1148}
   (  segid "    " and resid 46   and name HG1%)
   (  segid "    " and resid 32   and name HD% )
      3.600     1.700     1.700 peak  1148 spectrum    1 weight  0.10000E+01 volume  0.44613E-03 ppm1      0.672 ppm2      7.181 CV     1
 OR { 1148}
   (  segid "    " and resid 46   and name HG1%)
   (  segid "    " and resid 54   and name HE% )
 ASSI { 1150}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 50   and name HA  ))
      3.900     1.900     1.900 peak  1150 spectrum    1 weight  0.10000E+01 volume  0.98044E-03 ppm1      0.678 ppm2      3.937 CV     1
 OR { 1150}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 43   and name HA  ))
 OR { 1150}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 48   and name HA  ))
 ASSI { 1151}
   (  segid "    " and resid 46   and name HG2%)
   (( segid "    " and resid 43   and name HA  ))
      2.700     0.900     0.900 peak  1151 spectrum    1 weight  0.10000E+01 volume  0.31946E-02 ppm1      0.984 ppm2      3.937 CV     1
 OR { 1151}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 38   and name HA  ))
 OR { 1151}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 20   and name HA2 ))
 OR { 1151}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 13   and name HA  ))
 OR { 1151}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 43   and name HA  ))
 OR { 1151}
   (  segid "    " and resid 46   and name HG2%)
   (( segid "    " and resid 50   and name HA  ))
 ASSI { 1152}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 49   and name HB% )
      2.900     1.000     1.000 peak  1152 spectrum    1 weight  0.10000E+01 volume  0.34237E-02 ppm1      3.432 ppm2      1.524 CV     1
 OR { 1152}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 50   and name HB% )
 ASSI { 1153}
   (( segid "    " and resid 47   and name HB  ))
   (  segid "    " and resid 43   and name HE% )
      3.700     1.700     1.700 peak  1153 spectrum    1 weight  0.10000E+01 volume  0.95394E-03 ppm1      2.305 ppm2      1.435 CV     1
 OR { 1153}
   (( segid "    " and resid 46   and name HB  ))
   (  segid "    " and resid 43   and name HE% )
 OR { 1153}
   (( segid "    " and resid 69   and name HB  ))
   (( segid "    " and resid 67   and name HG2 ))
 ASSI { 1154}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 18   and name HG11))
      3.900     1.900     1.900 peak  1154 spectrum    1 weight  0.10000E+01 volume  0.10195E-02 ppm1      0.675 ppm2      1.614 CV     1
 OR { 1154}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 18   and name HB  ))
 OR { 1154}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 40   and name H4B ))
 OR { 1154}
   (  segid "    " and resid 69   and name HG2%)
   (  segid "    " and resid 72   and name HB% )
 ASSI { 1155}
   (  segid "    " and resid 46   and name HG1%)
   (  segid "    " and resid 50   and name HB% )
      3.100     1.200     1.200 peak  1155 spectrum    1 weight  0.10000E+01 volume  0.23758E-02 ppm1      0.676 ppm2      1.501 CV     1
 OR { 1155}
   (  segid "    " and resid 46   and name HG1%)
   (  segid "    " and resid 49   and name HB% )
 ASSI { 1158}
   (  segid "    " and resid 46   and name HG1%)
   (  segid "    " and resid 14   and name HG2%)
      2.300     0.700     0.700 peak  1158 spectrum    1 weight  0.10000E+01 volume  0.52960E-02 ppm1      0.674 ppm2      1.075 CV     1
 OR { 1158}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 14   and name HG12))
 OR { 1158}
   (  segid "    " and resid 69   and name HG2%)
   (  segid "    " and resid 68   and name HG2%)
 ASSI { 1163}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 18   and name HD1%)
      2.500     0.800     0.800 peak  1163 spectrum    1 weight  0.10000E+01 volume  0.46945E-02 ppm1      3.432 ppm2      0.778 CV     1
 OR { 1163}
   (( segid "    " and resid 69   and name HA  ))
   (  segid "    " and resid 26   and name HG1%)
 OR { 1163}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 14   and name HD1%)
 ASSI { 1169}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 40   and name H6A ))
      3.800     1.900     1.900 peak  1169 spectrum    1 weight  0.10000E+01 volume  0.82489E-03 ppm1      3.333 ppm2      0.786 CV     1
 OR { 1169}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 40   and name H6B ))
 OR { 1169}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 40   and name H5B ))
 OR { 1169}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 63   and name HG2%)
 OR { 1169}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 63   and name HG1%)
 ASSI { 1173}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 51   and name HN  ))
      4.100     2.100     1.900 peak  1173 spectrum    1 weight  0.10000E+01 volume  0.47544E-03 ppm1      0.898 ppm2      8.849 CV     1
 OR { 1173}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 50   and name HN  ))
 ASSI { 1174}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      3.200     1.300     1.300 peak  1174 spectrum    1 weight  0.10000E+01 volume  0.11131E-02 ppm1      3.328 ppm2      8.825 CV     1
 OR { 1174}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
 ASSI { 1189}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 58   and name HB  ))
      2.800     1.000     1.000 peak  1189 spectrum    1 weight  0.10000E+01 volume  0.22246E-02 ppm1      0.900 ppm2      1.725 CV     1
 OR { 1189}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 40   and name H4A ))
 ASSI { 1191}
   (  segid "    " and resid 47   and name HG2%)
   (  segid "    " and resid 40   and name H8% )
      3.300     1.400     1.400 peak  1191 spectrum    1 weight  0.10000E+01 volume  0.17992E-02 ppm1      1.001 ppm2      0.640 CV     1
 OR { 1191}
   (  segid "    " and resid 8    and name HG2%)
   (  segid "    " and resid 69   and name HG2%)
 OR { 1191}
   (  segid "    " and resid 47   and name HG2%)
   (  segid "    " and resid 46   and name HG1%)
 OR { 1191}
   (  segid "    " and resid 47   and name HG2%)
   (  segid "    " and resid 58   and name HD1%)
 OR { 1191}
   (  segid "    " and resid 8    and name HG2%)
   (  segid "    " and resid 76   and name HD1%)
 ASSI { 1192}
   (  segid "    " and resid 47   and name HG2%)
   (  segid "    " and resid 50   and name HB% )
      5.000     3.100     1.000 peak  1192 spectrum    1 weight  0.10000E+01 volume  0.43027E-03 ppm1      1.002 ppm2      1.507 CV     1
 OR { 1192}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 28   and name HB2 ))
 OR { 1192}
   (  segid "    " and resid 8    and name HG2%)
   (  segid "    " and resid 9    and name HB% )
 OR { 1192}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 7    and name HG11))
 OR { 1192}
   (  segid "    " and resid 47   and name HG2%)
   (  segid "    " and resid 49   and name HB% )
 ASSI { 1195}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
      3.300     1.300     1.300 peak  1195 spectrum    1 weight  0.10000E+01 volume  0.14070E-02 ppm1      3.923 ppm2      8.844 CV     1
 OR { 1195}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
 ASSI { 1208}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 47   and name HB  ))
      3.700     1.700     1.700 peak  1208 spectrum    1 weight  0.10000E+01 volume  0.12472E-02 ppm1      3.919 ppm2      2.296 CV     1
 OR { 1208}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 51   and name HG2 ))
 ASSI { 1213}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 47   and name HG1%)
      3.400     1.500     1.500 peak  1213 spectrum    1 weight  0.10000E+01 volume  0.11717E-02 ppm1      3.923 ppm2      0.888 CV     1
 OR { 1213}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 56   and name HG1%)
 ASSI { 1217}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 53   and name HN  ))
      3.700     1.700     1.700 peak  1217 spectrum    1 weight  0.10000E+01 volume  0.69376E-03 ppm1      1.530 ppm2      8.214 CV     1
 OR { 1217}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 14   and name HN  ))
 OR { 1217}
   (  segid "    " and resid 1    and name HB% )
   (( segid "    " and resid 78   and name HN  ))
 ASSI { 1225}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 52   and name HB2 ))
      3.000     1.100     1.100 peak  1225 spectrum    1 weight  0.10000E+01 volume  0.19509E-02 ppm1      4.240 ppm2      2.037 CV     1
 OR { 1225}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 8    and name HB  ))
 OR { 1225}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 48   and name HB  ))
 OR { 1225}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 14   and name HG11))
 ASSI { 1227}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 14   and name HG11))
      3.400     1.400     1.400 peak  1227 spectrum    1 weight  0.10000E+01 volume  0.12207E-02 ppm1      1.526 ppm2      2.026 CV     1
 OR { 1227}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 48   and name HB  ))
 OR { 1227}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 52   and name HB2 ))
 ASSI { 1228}
   (  segid "    " and resid 1    and name HB% )
   (( segid "    " and resid 80   and name HB1 ))
      3.500     1.500     1.500 peak  1228 spectrum    1 weight  0.10000E+01 volume  0.53959E-03 ppm1      1.524 ppm2      2.298 CV     1
 OR { 1228}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 17   and name HG2 ))
 OR { 1228}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 46   and name HB  ))
 OR { 1228}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 45   and name HB1 ))
 OR { 1228}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 51   and name HG2 ))
 ASSI { 1229}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 52   and name HB1 ))
      3.100     1.200     1.200 peak  1229 spectrum    1 weight  0.10000E+01 volume  0.20090E-02 ppm1      4.242 ppm2      2.134 CV     1
 OR { 1229}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 51   and name HB2 ))
 OR { 1229}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 14   and name HB  ))
 ASSI { 1233}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 18   and name HD1%)
      2.700     0.900     0.900 peak  1233 spectrum    1 weight  0.10000E+01 volume  0.68761E-02 ppm1      1.529 ppm2      0.755 CV     1
 OR { 1233}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 14   and name HD1%)
 ASSI { 1235}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 14   and name HB  ))
      4.500     2.500     1.500 peak  1235 spectrum    1 weight  0.10000E+01 volume  0.29070E-03 ppm1      3.954 ppm2      2.124 CV     1
 OR { 1235}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 52   and name HB1 ))
 OR { 1235}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 51   and name HB2 ))
 ASSI { 1236}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 14   and name HB  ))
      3.900     1.900     1.900 peak  1236 spectrum    1 weight  0.10000E+01 volume  0.67725E-03 ppm1      1.498 ppm2      2.091 CV     1
 OR { 1236}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 51   and name HB2 ))
 OR { 1236}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 52   and name HB1 ))
 OR { 1236}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 52   and name HB2 ))
 OR { 1236}
   (  segid "    " and resid 9    and name HB% )
   (( segid "    " and resid 11   and name HB1 ))
 ASSI { 1237}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 11   and name HG  ))
      4.100     2.100     1.900 peak  1237 spectrum    1 weight  0.10000E+01 volume  0.79664E-03 ppm1      1.509 ppm2      1.994 CV     1
 OR { 1237}
   (  segid "    " and resid 9    and name HB% )
   (( segid "    " and resid 8    and name HB  ))
 OR { 1237}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 14   and name HG11))
 ASSI { 1243}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 54   and name HN  ))
      3.900     1.900     1.900 peak  1243 spectrum    1 weight  0.10000E+01 volume  0.40789E-03 ppm1      4.188 ppm2      8.172 CV     1
 OR { 1243}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
 OR { 1243}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 57   and name HN  ))
 ASSI { 1245}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 56   and name HN  ))
      2.800     1.000     1.000 peak  1245 spectrum    1 weight  0.10000E+01 volume  0.32426E-02 ppm1      4.188 ppm2      7.825 CV     1
 OR { 1245}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 55   and name HN  ))
 ASSI { 1248}
   (( segid "    " and resid 51   and name HG2 ))
   (( segid "    " and resid 57   and name HA  ))
      3.100     1.200     1.200 peak  1248 spectrum    1 weight  0.10000E+01 volume  0.14532E-02 ppm1      2.301 ppm2      4.717 CV     1
 OR { 1248}
   (( segid "    " and resid 51   and name HG2 ))
   (( segid "    " and resid 56   and name HA  ))
 ASSI { 1262}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 58   and name HB  ))
      3.900     1.900     1.900 peak  1262 spectrum    1 weight  0.10000E+01 volume  0.69132E-03 ppm1      2.834 ppm2      1.696 CV     1
 OR { 1262}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 57   and name HB1 ))
 OR { 1262}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 57   and name HB2 ))
 ASSI { 1263}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 58   and name HG11))
      3.700     1.700     1.700 peak  1263 spectrum    1 weight  0.10000E+01 volume  0.71371E-03 ppm1      2.836 ppm2      1.549 CV     1
 OR { 1263}
   (( segid "    " and resid 51   and name HG1 ))
   (  segid "    " and resid 50   and name HB% )
 ASSI { 1265}
   (( segid "    " and resid 51   and name HG2 ))
   (( segid "    " and resid 58   and name HB  ))
      3.800     1.800     1.800 peak  1265 spectrum    1 weight  0.10000E+01 volume  0.49439E-03 ppm1      2.302 ppm2      1.685 CV     1
 OR { 1265}
   (( segid "    " and resid 51   and name HG2 ))
   (( segid "    " and resid 57   and name HB1 ))
 OR { 1265}
   (( segid "    " and resid 51   and name HG2 ))
   (( segid "    " and resid 57   and name HB2 ))
 ASSI { 1266}
   (( segid "    " and resid 51   and name HG2 ))
   (( segid "    " and resid 58   and name HG11))
      3.000     1.100     1.100 peak  1266 spectrum    1 weight  0.10000E+01 volume  0.72594E-03 ppm1      2.298 ppm2      1.555 CV     1
 OR { 1266}
   (( segid "    " and resid 5    and name HG2 ))
   (  segid "    " and resid 9    and name HB% )
 ASSI { 1267}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 58   and name HG11))
      4.500     2.500     1.500 peak  1267 spectrum    1 weight  0.10000E+01 volume  0.67762E-03 ppm1      4.185 ppm2      1.554 CV     1
 OR { 1267}
   (( segid "    " and resid 51   and name HA  ))
   (  segid "    " and resid 49   and name HB% )
 OR { 1267}
   (( segid "    " and resid 51   and name HA  ))
   (  segid "    " and resid 2    and name HB% )
 ASSI { 1268}
   (( segid "    " and resid 51   and name HG1 ))
   (  segid "    " and resid 58   and name HD1%)
      3.400     1.500     1.500 peak  1268 spectrum    1 weight  0.10000E+01 volume  0.95971E-03 ppm1      2.831 ppm2      0.635 CV     1
 OR { 1268}
   (( segid "    " and resid 51   and name HG1 ))
   (  segid "    " and resid 40   and name H8% )
 OR { 1268}
   (( segid "    " and resid 51   and name HG1 ))
   (  segid "    " and resid 76   and name HD1%)
 ASSI { 1269}
   (( segid "    " and resid 51   and name HG2 ))
   (  segid "    " and resid 58   and name HD1%)
      3.300     1.400     1.400 peak  1269 spectrum    1 weight  0.10000E+01 volume  0.96808E-03 ppm1      2.300 ppm2      0.628 CV     1
 OR { 1269}
   (( segid "    " and resid 51   and name HG2 ))
   (  segid "    " and resid 76   and name HD1%)
 ASSI { 1270}
   (( segid "    " and resid 51   and name HG1 ))
   (  segid "    " and resid 47   and name HG1%)
      3.100     1.200     1.200 peak  1270 spectrum    1 weight  0.10000E+01 volume  0.18026E-02 ppm1      2.832 ppm2      0.892 CV     1
 OR { 1270}
   (( segid "    " and resid 51   and name HG1 ))
   (  segid "    " and resid 56   and name HG1%)
 ASSI { 1272}
   (( segid "    " and resid 51   and name HA  ))
   (  segid "    " and resid 58   and name HD1%)
      4.300     2.300     1.700 peak  1272 spectrum    1 weight  0.10000E+01 volume  0.65059E-03 ppm1      4.183 ppm2      0.639 CV     1
 OR { 1272}
   (( segid "    " and resid 51   and name HA  ))
   (  segid "    " and resid 76   and name HD1%)
 OR { 1272}
   (( segid "    " and resid 51   and name HA  ))
   (  segid "    " and resid 40   and name H8% )
 ASSI { 1282}
   (( segid "    " and resid 17   and name HG1 ))
   (( segid "    " and resid 18   and name HN  ))
      3.600     1.600     1.600 peak  1282 spectrum    1 weight  0.10000E+01 volume  0.74786E-03 ppm1      2.436 ppm2      8.213 CV     1
 OR { 1282}
   (( segid "    " and resid 52   and name HG1 ))
   (( segid "    " and resid 53   and name HN  ))
 OR { 1282}
   (( segid "    " and resid 17   and name HG1 ))
   (( segid "    " and resid 14   and name HN  ))
 ASSI { 1283}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 18   and name HN  ))
      3.700     1.700     1.700 peak  1283 spectrum    1 weight  0.10000E+01 volume  0.93780E-03 ppm1      2.257 ppm2      8.219 CV     1
 OR { 1283}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 14   and name HN  ))
 OR { 1283}
   (( segid "    " and resid 13   and name HG2 ))
   (( segid "    " and resid 14   and name HN  ))
 OR { 1283}
   (( segid "    " and resid 52   and name HG2 ))
   (( segid "    " and resid 53   and name HN  ))
 ASSI { 1322}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 56   and name HN  ))
      4.400     2.500     1.600 peak  1322 spectrum    1 weight  0.10000E+01 volume  0.68246E-03 ppm1      3.429 ppm2      7.818 CV     1
 OR { 1322}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 55   and name HN  ))
 ASSI { 1326}
   (( segid "    " and resid 54   and name HB1 ))
   (  segid "    " and resid 76   and name HD1%)
      4.600     2.600     1.400 peak  1326 spectrum    1 weight  0.10000E+01 volume  0.69289E-03 ppm1      3.437 ppm2      0.628 CV     1
 OR { 1326}
   (( segid "    " and resid 54   and name HB1 ))
   (  segid "    " and resid 58   and name HD1%)
 ASSI { 1327}
   (( segid "    " and resid 54   and name HB1 ))
   (  segid "    " and resid 76   and name HG2%)
      3.100     1.200     1.200 peak  1327 spectrum    1 weight  0.10000E+01 volume  0.30238E-02 ppm1      3.439 ppm2      0.526 CV     1
 OR { 1327}
   (( segid "    " and resid 54   and name HB1 ))
   (  segid "    " and resid 7    and name HD1%)
 ASSI { 1329}
   (( segid "    " and resid 65   and name HB2 ))
   (  segid "    " and resid 66   and name HD2%)
      3.700     1.700     1.700 peak  1329 spectrum    1 weight  0.10000E+01 volume  0.10217E-02 ppm1      2.746 ppm2      0.626 CV     1
 OR { 1329}
   (( segid "    " and resid 54   and name HB2 ))
   (  segid "    " and resid 76   and name HD1%)
 OR { 1329}
   (( segid "    " and resid 54   and name HB2 ))
   (  segid "    " and resid 58   and name HD1%)
 ASSI { 1330}
   (( segid "    " and resid 54   and name HB2 ))
   (  segid "    " and resid 76   and name HG2%)
      3.100     1.200     1.200 peak  1330 spectrum    1 weight  0.10000E+01 volume  0.18178E-02 ppm1      2.750 ppm2      0.526 CV     1
 OR { 1330}
   (( segid "    " and resid 54   and name HB2 ))
   (  segid "    " and resid 7    and name HD1%)
 ASSI { 1334}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 56   and name HN  ))
      3.200     1.300     1.300 peak  1334 spectrum    1 weight  0.10000E+01 volume  0.66654E-03 ppm1      2.748 ppm2      7.830 CV     1
 OR { 1334}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 55   and name HN  ))
 ASSI { 1336}
   (  segid "    " and resid 54   and name HD% )
   (( segid "    " and resid 50   and name HA  ))
      3.300     1.400     1.400 peak  1336 spectrum    1 weight  0.10000E+01 volume  0.18337E-02 ppm1      7.464 ppm2      3.950 CV     1
 OR { 1336}
   (  segid "    " and resid 54   and name HD% )
   (( segid "    " and resid 53   and name HA  ))
 ASSI { 1341}
   (  segid "    " and resid 54   and name HE% )
   (( segid "    " and resid 11   and name HG  ))
      4.200     2.200     1.800 peak  1341 spectrum    1 weight  0.10000E+01 volume  0.72497E-03 ppm1      7.134 ppm2      1.988 CV     1
 OR { 1341}
   (  segid "    " and resid 54   and name HE% )
   (( segid "    " and resid 76   and name HG11))
 OR { 1341}
   (  segid "    " and resid 54   and name HE% )
   (( segid "    " and resid 56   and name HB  ))
 ASSI { 1342}
   (  segid "    " and resid 54   and name HE% )
   (  segid "    " and resid 50   and name HB% )
      3.200     1.300     1.300 peak  1342 spectrum    1 weight  0.10000E+01 volume  0.87599E-03 ppm1      7.127 ppm2      1.518 CV     1
 OR { 1342}
   (  segid "    " and resid 54   and name HE% )
   (( segid "    " and resid 7    and name HG11))
 ASSI { 1343}
   (  segid "    " and resid 54   and name HE% )
   (( segid "    " and resid 53   and name HB2 ))
      3.800     1.800     1.800 peak  1343 spectrum    1 weight  0.10000E+01 volume  0.36971E-03 ppm1      7.134 ppm2      1.068 CV     1
 OR { 1343}
   (  segid "    " and resid 54   and name HE% )
   (  segid "    " and resid 8    and name HG2%)
 OR { 1343}
   (  segid "    " and resid 54   and name HE% )
   (  segid "    " and resid 73   and name HG2%)
 ASSI { 1344}
   (  segid "    " and resid 54   and name HE% )
   (( segid "    " and resid 53   and name HG1 ))
      3.300     1.400     1.400 peak  1344 spectrum    1 weight  0.10000E+01 volume  0.14386E-02 ppm1      7.130 ppm2      0.882 CV     1
 OR { 1344}
   (  segid "    " and resid 54   and name HE% )
   (  segid "    " and resid 56   and name HG1%)
 OR { 1344}
   (  segid "    " and resid 54   and name HE% )
   (( segid "    " and resid 76   and name HG12))
 ASSI { 1346}
   (  segid "    " and resid 54   and name HE% )
   (  segid "    " and resid 76   and name HD1%)
      3.200     1.200     1.200 peak  1346 spectrum    1 weight  0.10000E+01 volume  0.73144E-03 ppm1      7.126 ppm2      0.635 CV     1
 OR { 1346}
   (  segid "    " and resid 54   and name HE% )
   (  segid "    " and resid 40   and name H8% )
 ASSI { 1347}
   (  segid "    " and resid 54   and name HE% )
   (  segid "    " and resid 7    and name HG2%)
      3.700     1.700     1.700 peak  1347 spectrum    1 weight  0.10000E+01 volume  0.91345E-03 ppm1      7.132 ppm2      0.541 CV     1
 OR { 1347}
   (  segid "    " and resid 54   and name HE% )
   (  segid "    " and resid 76   and name HG2%)
 OR { 1347}
   (  segid "    " and resid 54   and name HE% )
   (  segid "    " and resid 7    and name HD1%)
 ASSI { 1350}
   (  segid "    " and resid 54   and name HD% )
   (  segid "    " and resid 50   and name HB% )
      3.200     1.300     1.300 peak  1350 spectrum    1 weight  0.10000E+01 volume  0.28440E-02 ppm1      7.464 ppm2      1.504 CV     1
 OR { 1350}
   (  segid "    " and resid 54   and name HD% )
   (( segid "    " and resid 7    and name HG11))
 ASSI { 1354}
   (  segid "    " and resid 54   and name HD% )
   (  segid "    " and resid 76   and name HD1%)
      3.100     1.200     1.200 peak  1354 spectrum    1 weight  0.10000E+01 volume  0.23700E-02 ppm1      7.466 ppm2      0.627 CV     1
 OR { 1354}
   (  segid "    " and resid 54   and name HD% )
   (  segid "    " and resid 58   and name HD1%)
 ASSI { 1355}
   (  segid "    " and resid 54   and name HD% )
   (  segid "    " and resid 76   and name HG2%)
      2.800     0.900     0.900 peak  1355 spectrum    1 weight  0.10000E+01 volume  0.22615E-02 ppm1      7.465 ppm2      0.527 CV     1
 OR { 1355}
   (  segid "    " and resid 54   and name HD% )
   (  segid "    " and resid 7    and name HG2%)
 OR { 1355}
   (  segid "    " and resid 54   and name HD% )
   (  segid "    " and resid 7    and name HD1%)
 ASSI { 1372}
   (  segid "    " and resid 56   and name HG2%)
   (( segid "    " and resid 81   and name HN  ))
      4.800     2.900     1.200 peak  1372 spectrum    1 weight  0.10000E+01 volume  0.53004E-03 ppm1      0.973 ppm2      8.302 CV     1
 OR { 1372}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 43   and name HN  ))
 ASSI { 1382}
   (  segid "    " and resid 56   and name HG2%)
   (( segid "    " and resid 76   and name HA  ))
      3.300     1.300     1.300 peak  1382 spectrum    1 weight  0.10000E+01 volume  0.17518E-02 ppm1      0.974 ppm2      3.462 CV     1
 OR { 1382}
   (  segid "    " and resid 56   and name HG2%)
   (( segid "    " and resid 54   and name HB1 ))
 ASSI { 1384}
   (( segid "    " and resid 56   and name HB  ))
   (  segid "    " and resid 58   and name HD1%)
      4.600     2.600     1.400 peak  1384 spectrum    1 weight  0.10000E+01 volume  0.53272E-03 ppm1      2.018 ppm2      0.619 CV     1
 OR { 1384}
   (( segid "    " and resid 27   and name HB1 ))
   (  segid "    " and resid 69   and name HG2%)
 OR { 1384}
   (( segid "    " and resid 56   and name HB  ))
   (  segid "    " and resid 76   and name HD1%)
 ASSI { 1386}
   (  segid "    " and resid 23   and name HG1%)
   (( segid "    " and resid 16   and name HB2 ))
      2.800     1.000     1.000 peak  1386 spectrum    1 weight  0.10000E+01 volume  0.22957E-02 ppm1      0.976 ppm2      2.730 CV     1
 OR { 1386}
   (  segid "    " and resid 56   and name HG2%)
   (( segid "    " and resid 54   and name HB2 ))
 OR { 1386}
   (  segid "    " and resid 56   and name HG2%)
   (( segid "    " and resid 80   and name HG1 ))
 ASSI { 1411}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 63   and name HB  ))
      3.600     1.600     1.600 peak  1411 spectrum    1 weight  0.10000E+01 volume  0.45662E-03 ppm1      0.333 ppm2      1.909 CV     1
 OR { 1411}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 59   and name HG2 ))
 OR { 1411}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 59   and name HB2 ))
 ASSI { 1420}
   (  segid "    " and resid 58   and name HG2%)
   (  segid "    " and resid 63   and name HG1%)
      4.600     2.700     1.400 peak  1420 spectrum    1 weight  0.10000E+01 volume  0.34580E-03 ppm1      0.327 ppm2      0.764 CV     1
 OR { 1420}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 40   and name H6A ))
 OR { 1420}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 40   and name H6B ))
 ASSI { 1424}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 51   and name HG2 ))
      3.300     1.300     1.300 peak  1424 spectrum    1 weight  0.10000E+01 volume  0.97429E-03 ppm1      0.637 ppm2      2.297 CV     1
 OR { 1424}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 80   and name HB1 ))
 ASSI { 1426}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 76   and name HG11))
      4.100     2.100     1.900 peak  1426 spectrum    1 weight  0.10000E+01 volume  0.74439E-03 ppm1      0.639 ppm2      1.990 CV     1
 OR { 1426}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 56   and name HB  ))
 ASSI { 1452}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 58   and name HB  ))
      4.000     2.000     2.000 peak  1452 spectrum    1 weight  0.10000E+01 volume  0.39690E-03 ppm1      4.405 ppm2      1.671 CV     1
 OR { 1452}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 57   and name HB1 ))
 OR { 1452}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 57   and name HB2 ))
 OR { 1452}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 64   and name HD2 ))
 ASSI { 1455}
   (( segid "    " and resid 59   and name HG2 ))
   (( segid "    " and resid 61   and name HN  ))
      5.300     3.500     0.700 peak  1455 spectrum    1 weight  0.10000E+01 volume  0.36665E-03 ppm1      1.965 ppm2      8.640 CV     1
 OR { 1455}
   (( segid "    " and resid 59   and name HG1 ))
   (( segid "    " and resid 60   and name HN  ))
 OR { 1455}
   (( segid "    " and resid 59   and name HG2 ))
   (( segid "    " and resid 60   and name HN  ))
 OR { 1455}
   (( segid "    " and resid 59   and name HG1 ))
   (( segid "    " and resid 61   and name HN  ))
 ASSI { 1514}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 40   and name HA  ))
      4.000     2.000     2.000 peak  1514 spectrum    1 weight  0.10000E+01 volume  0.64438E-03 ppm1      1.901 ppm2      4.065 CV     1
 OR { 1514}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 32   and name HA  ))
 OR { 1514}
   (( segid "    " and resid 63   and name HB  ))
   (( segid "    " and resid 64   and name HA  ))
 OR { 1514}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 40   and name HB1 ))
 ASSI { 1518}
   (( segid "    " and resid 63   and name HA  ))
   (  segid "    " and resid 47   and name HG2%)
      5.700     4.100     0.300 peak  1518 spectrum    1 weight  0.10000E+01 volume  0.22971E-03 ppm1      3.205 ppm2      1.013 CV     1
 OR { 1518}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 40   and name H5A ))
 OR { 1518}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 40   and name H7A ))
 OR { 1518}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 40   and name H7B ))
 ASSI { 1520}
   (( segid "    " and resid 63   and name HA  ))
   (  segid "    " and resid 66   and name HD2%)
      3.900     1.900     1.900 peak  1520 spectrum    1 weight  0.10000E+01 volume  0.12741E-02 ppm1      3.215 ppm2      0.632 CV     1
 OR { 1520}
   (( segid "    " and resid 63   and name HA  ))
   (  segid "    " and resid 40   and name H8% )
 ASSI { 1523}
   (( segid "    " and resid 63   and name HB  ))
   (  segid "    " and resid 58   and name HD1%)
      4.200     2.200     1.800 peak  1523 spectrum    1 weight  0.10000E+01 volume  0.63957E-03 ppm1      1.904 ppm2      0.637 CV     1
 OR { 1523}
   (( segid "    " and resid 63   and name HB  ))
   (  segid "    " and resid 40   and name H8% )
 OR { 1523}
   (( segid "    " and resid 63   and name HB  ))
   (  segid "    " and resid 66   and name HD2%)
 OR { 1523}
   (( segid "    " and resid 38   and name HB  ))
   (  segid "    " and resid 46   and name HG1%)
 ASSI { 1527}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 64   and name HB2 ))
      4.300     2.300     1.700 peak  1527 spectrum    1 weight  0.10000E+01 volume  0.61678E-03 ppm1      0.780 ppm2      1.760 CV     1
 OR { 1527}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 66   and name HG  ))
 OR { 1527}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 40   and name H4A ))
 ASSI { 1528}
   (  segid "    " and resid 63   and name HG1%)
   (  segid "    " and resid 43   and name HE% )
      3.000     1.100     1.100 peak  1528 spectrum    1 weight  0.10000E+01 volume  0.14391E-02 ppm1      0.779 ppm2      1.432 CV     1
 OR { 1528}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 64   and name HG1 ))
 OR { 1528}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 64   and name HG2 ))
 ASSI { 1530}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 47   and name HB  ))
      4.100     2.100     1.900 peak  1530 spectrum    1 weight  0.10000E+01 volume  0.41972E-03 ppm1      0.781 ppm2      2.277 CV     1
 OR { 1530}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 66   and name HB1 ))
 ASSI { 1531}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 44   and name HB  ))
      4.300     2.300     1.700 peak  1531 spectrum    1 weight  0.10000E+01 volume  0.24028E-03 ppm1      0.778 ppm2      2.224 CV     1
 OR { 1531}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 43   and name HG2 ))
 OR { 1531}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 66   and name HB1 ))
 ASSI { 1537}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 66   and name HG  ))
      3.700     1.700     1.700 peak  1537 spectrum    1 weight  0.10000E+01 volume  0.10460E-02 ppm1      0.830 ppm2      1.753 CV     1
 OR { 1537}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 40   and name H4A ))
 ASSI { 1557}
   (( segid "    " and resid 64   and name HG1 ))
   (  segid "    " and resid 63   and name HG1%)
      4.000     2.000     2.000 peak  1557 spectrum    1 weight  0.10000E+01 volume  0.73031E-03 ppm1      1.392 ppm2      0.781 CV     1
 OR { 1557}
   (( segid "    " and resid 64   and name HG2 ))
   (  segid "    " and resid 63   and name HG1%)
 OR { 1557}
   (( segid "    " and resid 64   and name HG1 ))
   (  segid "    " and resid 63   and name HG2%)
 OR { 1557}
   (( segid "    " and resid 64   and name HG2 ))
   (  segid "    " and resid 63   and name HG2%)
 OR { 1557}
   (( segid "    " and resid 57   and name HG2 ))
   (( segid "    " and resid 58   and name HG12))
 ASSI { 1571}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 68   and name HN  ))
      4.900     3.100     1.100 peak  1571 spectrum    1 weight  0.10000E+01 volume  0.41994E-03 ppm1      0.622 ppm2      8.537 CV     1
 OR { 1571}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 76   and name HN  ))
 ASSI { 1576}
   (  segid "    " and resid 66   and name HD1%)
   (  segid "    " and resid 75   and name HD% )
      3.900     1.900     1.900 peak  1576 spectrum    1 weight  0.10000E+01 volume  0.48062E-03 ppm1      0.383 ppm2      6.819 CV     1
 OR { 1576}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 32   and name HZ  ))
 ASSI { 1583}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 75   and name HA  ))
      4.400     2.400     1.600 peak  1583 spectrum    1 weight  0.10000E+01 volume  0.63704E-03 ppm1      0.619 ppm2      4.222 CV     1
 OR { 1583}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 73   and name HB  ))
 ASSI { 1585}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 75   and name HB2 ))
      2.500     0.800     0.800 peak  1585 spectrum    1 weight  0.10000E+01 volume  0.50300E-02 ppm1      0.621 ppm2      3.108 CV     1
 OR { 1585}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 75   and name HB1 ))
 OR { 1585}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 71   and name HB1 ))
 ASSI { 1589}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 75   and name HB1 ))
      3.700     1.700     1.700 peak  1589 spectrum    1 weight  0.10000E+01 volume  0.99455E-03 ppm1      0.381 ppm2      3.109 CV     1
 OR { 1589}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 75   and name HB2 ))
 OR { 1589}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 71   and name HB1 ))
 ASSI { 1593}
   (( segid "    " and resid 30   and name HG1 ))
   (( segid "    " and resid 30   and name HB1 ))
      2.500     0.800     0.800 peak  1593 spectrum    1 weight  0.10000E+01 volume  0.31771E-02 ppm1      1.800 ppm2      2.051 CV     1
 OR { 1593}
   (( segid "    " and resid 30   and name HG1 ))
   (( segid "    " and resid 27   and name HB1 ))
 ASSI { 1595}
   (( segid "    " and resid 30   and name HG1 ))
   (  segid "    " and resid 36   and name HD2%)
      3.400     1.400     1.400 peak  1595 spectrum    1 weight  0.10000E+01 volume  0.12244E-02 ppm1      1.800 ppm2      0.795 CV     1
 OR { 1595}
   (( segid "    " and resid 66   and name HG  ))
   (  segid "    " and resid 63   and name HG2%)
 ASSI { 1607}
   (( segid "    " and resid 66   and name HB1 ))
   (  segid "    " and resid 72   and name HB% )
      3.400     1.400     1.400 peak  1607 spectrum    1 weight  0.10000E+01 volume  0.87737E-03 ppm1      2.236 ppm2      1.597 CV     1
 OR { 1607}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 67   and name HG1 ))
 ASSI { 1651}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 66   and name HB1 ))
      4.300     2.300     1.700 peak  1651 spectrum    1 weight  0.10000E+01 volume  0.49161E-03 ppm1      5.225 ppm2      2.277 CV     1
 OR { 1651}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 69   and name HB  ))
 ASSI { 1658}
   (( segid "    " and resid 68   and name HA  ))
   (  segid "    " and resid 36   and name HD2%)
      4.600     2.700     1.400 peak  1658 spectrum    1 weight  0.10000E+01 volume  0.88464E-04 ppm1      5.224 ppm2      0.810 CV     1
 OR { 1658}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 40   and name H6B ))
 OR { 1658}
   (( segid "    " and resid 68   and name HA  ))
   (  segid "    " and resid 28   and name HD1%)
 OR { 1658}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 40   and name H5B ))
 OR { 1658}
   (( segid "    " and resid 68   and name HA  ))
   (  segid "    " and resid 63   and name HG2%)
 ASSI { 1666}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 72   and name HN  ))
      3.400     1.400     1.400 peak  1666 spectrum    1 weight  0.10000E+01 volume  0.79237E-03 ppm1      3.388 ppm2      8.219 CV     1
 OR { 1666}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
 ASSI { 1673}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 30   and name HN  ))
      3.700     1.700     1.700 peak  1673 spectrum    1 weight  0.10000E+01 volume  0.10239E-02 ppm1      0.456 ppm2      7.499 CV     1
 OR { 1673}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 54   and name HZ  ))
 ASSI { 1675}
   (( segid "    " and resid 69   and name HA  ))
   (  segid "    " and resid 32   and name HE% )
      2.700     0.900     0.900 peak  1675 spectrum    1 weight  0.10000E+01 volume  0.23799E-02 ppm1      3.389 ppm2      6.986 CV     1
 OR { 1675}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 45   and name HN  ))
 ASSI { 1677}
   (( segid "    " and resid 69   and name HB  ))
   (( segid "    " and resid 30   and name HN  ))
      4.700     2.700     1.300 peak  1677 spectrum    1 weight  0.10000E+01 volume  0.65143E-03 ppm1      2.278 ppm2      7.508 CV     1
 OR { 1677}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 26   and name HN  ))
 OR { 1677}
   (( segid "    " and resid 69   and name HB  ))
   (( segid "    " and resid 54   and name HZ  ))
 OR { 1677}
   (( segid "    " and resid 47   and name HB  ))
   (( segid "    " and resid 62   and name HN  ))
 OR { 1677}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 36   and name HN  ))
 ASSI { 1681}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 26   and name HA  ))
      3.800     1.800     1.800 peak  1681 spectrum    1 weight  0.10000E+01 volume  0.17744E-02 ppm1      0.459 ppm2      3.565 CV     1
 OR { 1681}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 28   and name HA  ))
 ASSI { 1685}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 70   and name HA1 ))
      4.100     2.100     1.900 peak  1685 spectrum    1 weight  0.10000E+01 volume  0.56259E-03 ppm1      0.456 ppm2      4.062 CV     1
 OR { 1685}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 72   and name HA  ))
 ASSI { 1686}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 70   and name HA2 ))
      3.900     1.900     1.900 peak  1686 spectrum    1 weight  0.10000E+01 volume  0.74005E-03 ppm1      0.658 ppm2      3.795 CV     1
 OR { 1686}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 14   and name HA  ))
 ASSI { 1687}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 73   and name HA  ))
      3.400     3.400     2.600 peak  1687 spectrum    1 weight  0.10000E+01 volume  0.30440E-02 ppm1      0.657 ppm2      3.678 CV     1
 OR { 1687}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 44   and name HA  ))
 OR { 1687}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 4    and name HA  ))
 ASSI { 1688}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 28   and name HA  ))
      2.100     0.600     0.600 peak  1688 spectrum    1 weight  0.10000E+01 volume  0.41370E-02 ppm1      0.656 ppm2      3.577 CV     1
 OR { 1688}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 15   and name HA  ))
 ASSI { 1689}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 70   and name HA1 ))
      4.300     2.300     1.700 peak  1689 spectrum    1 weight  0.10000E+01 volume  0.63102E-03 ppm1      0.655 ppm2      4.002 CV     1
 OR { 1689}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 50   and name HA  ))
 ASSI { 1690}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 11   and name HA  ))
      4.300     2.300     1.700 peak  1690 spectrum    1 weight  0.10000E+01 volume  0.57608E-03 ppm1      0.668 ppm2      4.208 CV     1
 OR { 1690}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 73   and name HB  ))
 OR { 1690}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 49   and name HA  ))
 ASSI { 1691}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 28   and name HG  ))
      4.100     2.100     1.900 peak  1691 spectrum    1 weight  0.10000E+01 volume  0.81366E-03 ppm1      0.663 ppm2      1.749 CV     1
 OR { 1691}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 28   and name HB1 ))
 OR { 1691}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 40   and name H4A ))
 ASSI { 1694}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 30   and name HB1 ))
      2.300     2.300     3.700 peak  1694 spectrum    1 weight  0.10000E+01 volume  0.18701E-02 ppm1      0.459 ppm2      2.056 CV     1
 OR { 1694}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 27   and name HB1 ))
 ASSI { 1696}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 36   and name HG  ))
      3.300     1.400     1.400 peak  1696 spectrum    1 weight  0.10000E+01 volume  0.63286E-03 ppm1      0.457 ppm2      1.493 CV     1
 OR { 1696}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 27   and name HB2 ))
 OR { 1696}
   (  segid "    " and resid 69   and name HG1%)
   (  segid "    " and resid 50   and name HB% )
 OR { 1696}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 67   and name HG2 ))
 OR { 1696}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 74   and name HG2 ))
 ASSI { 1698}
   (( segid "    " and resid 69   and name HA  ))
   (  segid "    " and resid 72   and name HB% )
      2.600     0.800     0.800 peak  1698 spectrum    1 weight  0.10000E+01 volume  0.25484E-02 ppm1      3.386 ppm2      1.603 CV     1
 OR { 1698}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 18   and name HG11))
 ASSI { 1702}
   (  segid "    " and resid 69   and name HG1%)
   (  segid "    " and resid 11   and name HD1%)
      2.700     0.900     0.900 peak  1702 spectrum    1 weight  0.10000E+01 volume  0.24750E-02 ppm1      0.458 ppm2      0.888 CV     1
 OR { 1702}
   (  segid "    " and resid 69   and name HG1%)
   (  segid "    " and resid 28   and name HD2%)
 ASSI { 1704}
   (( segid "    " and resid 69   and name HA  ))
   (  segid "    " and resid 11   and name HD1%)
      3.700     1.700     1.700 peak  1704 spectrum    1 weight  0.10000E+01 volume  0.12705E-02 ppm1      3.383 ppm2      0.866 CV     1
 OR { 1704}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 11   and name HD2%)
 OR { 1704}
   (( segid "    " and resid 69   and name HA  ))
   (  segid "    " and resid 8    and name HG1%)
 OR { 1704}
   (( segid "    " and resid 69   and name HA  ))
   (  segid "    " and resid 28   and name HD2%)
 ASSI { 1721}
   (( segid "    " and resid 70   and name HA2 ))
   (( segid "    " and resid 73   and name HA  ))
      3.900     1.900     1.900 peak  1721 spectrum    1 weight  0.10000E+01 volume  0.10356E-02 ppm1      3.786 ppm2      3.673 CV     1
 OR { 1721}
   (( segid "    " and resid 70   and name HA2 ))
   (( segid "    " and resid 4    and name HA  ))
 ASSI { 1724}
   (( segid "    " and resid 70   and name HA2 ))
   (( segid "    " and resid 69   and name HB  ))
      4.200     2.200     1.800 peak  1724 spectrum    1 weight  0.10000E+01 volume  0.40252E-03 ppm1      3.785 ppm2      2.257 CV     1
 OR { 1724}
   (( segid "    " and resid 70   and name HA2 ))
   (( segid "    " and resid 4    and name HG1 ))
 ASSI { 1725}
   (( segid "    " and resid 70   and name HA1 ))
   (( segid "    " and resid 28   and name HB1 ))
      4.200     2.200     1.800 peak  1725 spectrum    1 weight  0.10000E+01 volume  0.34739E-03 ppm1      4.018 ppm2      1.747 CV     1
 OR { 1725}
   (( segid "    " and resid 70   and name HA1 ))
   (( segid "    " and resid 28   and name HG  ))
 OR { 1725}
   (( segid "    " and resid 70   and name HA1 ))
   (( segid "    " and resid 74   and name HD1 ))
 ASSI { 1726}
   (( segid "    " and resid 70   and name HA2 ))
   (( segid "    " and resid 28   and name HG  ))
      4.000     2.000     2.000 peak  1726 spectrum    1 weight  0.10000E+01 volume  0.33185E-03 ppm1      3.796 ppm2      1.740 CV     1
 OR { 1726}
   (( segid "    " and resid 70   and name HA2 ))
   (( segid "    " and resid 28   and name HB1 ))
 OR { 1726}
   (( segid "    " and resid 70   and name HA2 ))
   (( segid "    " and resid 74   and name HD1 ))
 ASSI { 1727}
   (( segid "    " and resid 70   and name HA2 ))
   (( segid "    " and resid 28   and name HB2 ))
      3.400     1.500     1.500 peak  1727 spectrum    1 weight  0.10000E+01 volume  0.68958E-03 ppm1      3.797 ppm2      1.465 CV     1
 OR { 1727}
   (( segid "    " and resid 70   and name HA2 ))
   (( segid "    " and resid 74   and name HG1 ))
 OR { 1727}
   (( segid "    " and resid 70   and name HA2 ))
   (( segid "    " and resid 74   and name HG2 ))
 OR { 1727}
   (( segid "    " and resid 70   and name HA2 ))
   (( segid "    " and resid 67   and name HG2 ))
 ASSI { 1728}
   (( segid "    " and resid 70   and name HA1 ))
   (( segid "    " and resid 28   and name HB2 ))
      3.400     1.500     1.500 peak  1728 spectrum    1 weight  0.10000E+01 volume  0.85155E-03 ppm1      4.010 ppm2      1.471 CV     1
 OR { 1728}
   (( segid "    " and resid 70   and name HA1 ))
   (( segid "    " and resid 67   and name HG2 ))
 OR { 1728}
   (( segid "    " and resid 70   and name HA1 ))
   (( segid "    " and resid 74   and name HG1 ))
 OR { 1728}
   (( segid "    " and resid 70   and name HA1 ))
   (( segid "    " and resid 74   and name HG2 ))
 ASSI { 1747}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 74   and name HB1 ))
      3.500     3.500     2.500 peak  1747 spectrum    1 weight  0.10000E+01 volume  0.17393E-02 ppm1      4.494 ppm2      1.964 CV     1
 OR { 1747}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 76   and name HG11))
 ASSI { 1748}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 66   and name HD2%)
      3.900     1.900     1.900 peak  1748 spectrum    1 weight  0.10000E+01 volume  0.91948E-03 ppm1      4.490 ppm2      0.625 CV     1
 OR { 1748}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 76   and name HD1%)
 ASSI { 1757}
   (  segid "    " and resid 72   and name HB% )
   (( segid "    " and resid 32   and name HZ  ))
      2.900     1.100     1.100 peak  1757 spectrum    1 weight  0.10000E+01 volume  0.24944E-02 ppm1      1.610 ppm2      6.868 CV     1
 OR { 1757}
   (  segid "    " and resid 72   and name HB% )
   (  segid "    " and resid 75   and name HD% )
 ASSI { 1764}
   (  segid "    " and resid 72   and name HB% )
   (( segid "    " and resid 66   and name HB1 ))
      4.500     2.600     1.500 peak  1764 spectrum    1 weight  0.10000E+01 volume  0.20650E-03 ppm1      1.610 ppm2      2.239 CV     1
 OR { 1764}
   (  segid "    " and resid 72   and name HB% )
   (( segid "    " and resid 69   and name HB  ))
 ASSI { 1766}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 66   and name HB1 ))
      4.400     2.400     1.600 peak  1766 spectrum    1 weight  0.10000E+01 volume  0.32401E-03 ppm1      4.120 ppm2      2.240 CV     1
 OR { 1766}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 69   and name HB  ))
 ASSI { 1768}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 76   and name HB  ))
      4.600     2.700     1.400 peak  1768 spectrum    1 weight  0.10000E+01 volume  0.29398E-03 ppm1      4.103 ppm2      1.788 CV     1
 OR { 1768}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 7    and name HB  ))
 OR { 1768}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 74   and name HD1 ))
 OR { 1768}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 77   and name HB1 ))
 ASSI { 1771}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 66   and name HD2%)
      2.500     0.800     0.800 peak  1771 spectrum    1 weight  0.10000E+01 volume  0.42550E-02 ppm1      4.113 ppm2      0.622 CV     1
 OR { 1771}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 76   and name HD1%)
 OR { 1771}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 58   and name HD1%)
 ASSI { 1772}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 76   and name HG12))
      3.600     1.700     1.700 peak  1772 spectrum    1 weight  0.10000E+01 volume  0.15546E-02 ppm1      4.117 ppm2      0.894 CV     1
 OR { 1772}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 56   and name HG1%)
 ASSI { 1773}
   (  segid "    " and resid 72   and name HB% )
   (  segid "    " and resid 11   and name HD1%)
      2.300     0.700     0.700 peak  1773 spectrum    1 weight  0.10000E+01 volume  0.36166E-02 ppm1      1.610 ppm2      0.867 CV     1
 OR { 1773}
   (  segid "    " and resid 72   and name HB% )
   (( segid "    " and resid 66   and name HB2 ))
 OR { 1773}
   (  segid "    " and resid 72   and name HB% )
   (  segid "    " and resid 63   and name HG2%)
 OR { 1773}
   (  segid "    " and resid 72   and name HB% )
   (( segid "    " and resid 58   and name HG12))
 OR { 1773}
   (  segid "    " and resid 72   and name HB% )
   (  segid "    " and resid 77   and name HD1%)
 OR { 1773}
   (  segid "    " and resid 72   and name HB% )
   (  segid "    " and resid 28   and name HD2%)
 OR { 1773}
   (  segid "    " and resid 72   and name HB% )
   (  segid "    " and resid 77   and name HD2%)
 ASSI { 1776}
   (  segid "    " and resid 72   and name HB% )
   (( segid "    " and resid 40   and name H6B ))
      3.200     1.300     1.300 peak  1776 spectrum    1 weight  0.10000E+01 volume  0.30907E-03 ppm1      1.607 ppm2      0.765 CV     1
 OR { 1776}
   (  segid "    " and resid 72   and name HB% )
   (( segid "    " and resid 40   and name H6A ))
 OR { 1776}
   (  segid "    " and resid 72   and name HB% )
   (( segid "    " and resid 40   and name H5B ))
 OR { 1776}
   (  segid "    " and resid 72   and name HB% )
   (  segid "    " and resid 28   and name HD1%)
 ASSI { 1784}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 77   and name HN  ))
      4.100     2.100     1.900 peak  1784 spectrum    1 weight  0.10000E+01 volume  0.71598E-03 ppm1      1.108 ppm2      8.510 CV     1
 OR { 1784}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 76   and name HN  ))
 ASSI { 1786}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 4    and name HE22))
      3.900     1.900     1.900 peak  1786 spectrum    1 weight  0.10000E+01 volume  0.51799E-03 ppm1      1.110 ppm2      7.502 CV     1
 OR { 1786}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 54   and name HZ  ))
 OR { 1786}
   (  segid "    " and resid 73   and name HG2%)
   (  segid "    " and resid 54   and name HD% )
 ASSI { 1792}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 74   and name HA  ))
      3.200     1.300     1.300 peak  1792 spectrum    1 weight  0.10000E+01 volume  0.13633E-02 ppm1      1.112 ppm2      3.929 CV     1
 OR { 1792}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 77   and name HA  ))
 ASSI { 1793}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 70   and name HA1 ))
      3.000     3.000     3.000 peak  1793 spectrum    1 weight  0.10000E+01 volume  0.57399E-03 ppm1      1.111 ppm2      4.051 CV     1
 OR { 1793}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 1    and name HA  ))
 ASSI { 1797}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 4    and name HB2 ))
      2.700     0.900     0.900 peak  1797 spectrum    1 weight  0.10000E+01 volume  0.21197E-02 ppm1      1.110 ppm2      2.026 CV     1
 OR { 1797}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 74   and name HB1 ))
 ASSI { 1798}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 74   and name HD1 ))
      2.500     0.800     0.800 peak  1798 spectrum    1 weight  0.10000E+01 volume  0.49014E-02 ppm1      1.111 ppm2      1.780 CV     1
 OR { 1798}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 7    and name HB  ))
 OR { 1798}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 76   and name HB  ))
 OR { 1798}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 77   and name HB1 ))
 ASSI { 1799}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 74   and name HD2 ))
      3.000     1.200     1.200 peak  1799 spectrum    1 weight  0.10000E+01 volume  0.14639E-02 ppm1      1.112 ppm2      1.629 CV     1
 OR { 1799}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 77   and name HG  ))
 ASSI { 1800}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 7    and name HG11))
      5.200     3.400     0.800 peak  1800 spectrum    1 weight  0.10000E+01 volume  0.15610E-03 ppm1      1.111 ppm2      1.548 CV     1
 OR { 1800}
   (  segid "    " and resid 73   and name HG2%)
   (  segid "    " and resid 2    and name HB% )
 ASSI { 1807}
   (( segid "    " and resid 73   and name HB  ))
   (  segid "    " and resid 28   and name HD1%)
      3.700     1.700     1.700 peak  1807 spectrum    1 weight  0.10000E+01 volume  0.14720E-02 ppm1      4.187 ppm2      0.816 CV     1
 OR { 1807}
   (( segid "    " and resid 73   and name HB  ))
   (  segid "    " and resid 77   and name HD1%)
 OR { 1807}
   (( segid "    " and resid 73   and name HB  ))
   (  segid "    " and resid 77   and name HD2%)
 ASSI { 1813}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 71   and name HA  ))
      4.000     2.000     2.000 peak  1813 spectrum    1 weight  0.10000E+01 volume  0.83042E-03 ppm1      1.976 ppm2      4.484 CV     1
 OR { 1813}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 3    and name HA  ))
 ASSI { 1821}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HD1 ))
      3.100     1.200     1.200 peak  1821 spectrum    1 weight  0.10000E+01 volume  0.34281E-02 ppm1      3.942 ppm2      1.761 CV     1
 OR { 1821}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 77   and name HB1 ))
 ASSI { 1825}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 77   and name HN  ))
      3.400     1.400     1.400 peak  1825 spectrum    1 weight  0.10000E+01 volume  0.10337E-02 ppm1      3.943 ppm2      8.512 CV     1
 OR { 1825}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 76   and name HN  ))
 ASSI { 1830}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 78   and name HB1 ))
      3.200     1.300     1.300 peak  1830 spectrum    1 weight  0.10000E+01 volume  0.16518E-02 ppm1      4.229 ppm2      2.533 CV     1
 OR { 1830}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 79   and name HB2 ))
 ASSI { 1833}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 66   and name HD2%)
      4.500     2.500     1.500 peak  1833 spectrum    1 weight  0.10000E+01 volume  0.76736E-03 ppm1      4.236 ppm2      0.609 CV     1
 OR { 1833}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 58   and name HD1%)
 OR { 1833}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 76   and name HD1%)
 ASSI { 1834}
   (( segid "    " and resid 75   and name HB2 ))
   (  segid "    " and resid 66   and name HD2%)
      3.100     1.200     1.200 peak  1834 spectrum    1 weight  0.10000E+01 volume  0.35401E-02 ppm1      3.125 ppm2      0.621 CV     1
 OR { 1834}
   (( segid "    " and resid 75   and name HB1 ))
   (  segid "    " and resid 66   and name HD2%)
 OR { 1834}
   (( segid "    " and resid 32   and name HB1 ))
   (  segid "    " and resid 36   and name HD1%)
 OR { 1834}
   (( segid "    " and resid 75   and name HB1 ))
   (  segid "    " and resid 76   and name HD1%)
 OR { 1834}
   (( segid "    " and resid 32   and name HB2 ))
   (  segid "    " and resid 36   and name HD1%)
 OR { 1834}
   (( segid "    " and resid 75   and name HB1 ))
   (  segid "    " and resid 58   and name HD1%)
 OR { 1834}
   (( segid "    " and resid 75   and name HB2 ))
   (  segid "    " and resid 76   and name HD1%)
 OR { 1834}
   (( segid "    " and resid 75   and name HB2 ))
   (  segid "    " and resid 58   and name HD1%)
 ASSI { 1836}
   (( segid "    " and resid 75   and name HB1 ))
   (  segid "    " and resid 66   and name HD1%)
      3.700     1.800     1.800 peak  1836 spectrum    1 weight  0.10000E+01 volume  0.11097E-02 ppm1      3.119 ppm2      0.377 CV     1
 OR { 1836}
   (( segid "    " and resid 75   and name HB2 ))
   (  segid "    " and resid 66   and name HD1%)
 OR { 1836}
   (( segid "    " and resid 75   and name HB1 ))
   (  segid "    " and resid 58   and name HG2%)
 OR { 1836}
   (( segid "    " and resid 75   and name HB2 ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI { 1839}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 76   and name HN  ))
      2.500     0.800     0.800 peak  1839 spectrum    1 weight  0.10000E+01 volume  0.20861E-02 ppm1      3.117 ppm2      8.538 CV     1
 OR { 1839}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 76   and name HN  ))
 OR { 1839}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 77   and name HN  ))
 ASSI { 1840}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 76   and name HN  ))
      3.600     1.600     1.600 peak  1840 spectrum    1 weight  0.10000E+01 volume  0.88139E-03 ppm1      4.229 ppm2      8.526 CV     1
 OR { 1840}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 77   and name HN  ))
 ASSI { 1841}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 78   and name HN  ))
      3.700     1.700     1.700 peak  1841 spectrum    1 weight  0.10000E+01 volume  0.59169E-03 ppm1      4.233 ppm2      8.254 CV     1
 OR { 1841}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 72   and name HN  ))
 ASSI { 1852}
   (  segid "    " and resid 75   and name HE% )
   (( segid "    " and resid 71   and name HB2 ))
      4.400     2.400     1.600 peak  1852 spectrum    1 weight  0.10000E+01 volume  0.43205E-04 ppm1      6.551 ppm2      2.865 CV     1
 OR { 1852}
   (  segid "    " and resid 75   and name HE% )
   (( segid "    " and resid 51   and name HG1 ))
 ASSI { 1853}
   (  segid "    " and resid 75   and name HE% )
   (( segid "    " and resid 79   and name HB2 ))
      3.600     1.600     1.600 peak  1853 spectrum    1 weight  0.10000E+01 volume  0.74224E-03 ppm1      6.556 ppm2      2.516 CV     1
 OR { 1853}
   (  segid "    " and resid 75   and name HE% )
   (( segid "    " and resid 78   and name HB1 ))
 ASSI { 1857}
   (  segid "    " and resid 75   and name HD% )
   (( segid "    " and resid 76   and name HG12))
      3.500     1.500     1.500 peak  1857 spectrum    1 weight  0.10000E+01 volume  0.10201E-02 ppm1      6.828 ppm2      0.934 CV     1
 OR { 1857}
   (  segid "    " and resid 75   and name HD% )
   (  segid "    " and resid 56   and name HG2%)
 OR { 1857}
   (  segid "    " and resid 75   and name HD% )
   (  segid "    " and resid 56   and name HG1%)
 ASSI { 1858}
   (  segid "    " and resid 75   and name HE% )
   (( segid "    " and resid 58   and name HB  ))
      3.000     3.000     3.000 peak  1858 spectrum    1 weight  0.10000E+01 volume  0.47962E-03 ppm1      6.557 ppm2      1.711 CV     1
 OR { 1858}
   (  segid "    " and resid 75   and name HE% )
   (( segid "    " and resid 77   and name HB2 ))
 ASSI { 1859}
   (  segid "    " and resid 75   and name HE% )
   (( segid "    " and resid 58   and name HG11))
      4.300     2.300     1.700 peak  1859 spectrum    1 weight  0.10000E+01 volume  0.11526E-02 ppm1      6.556 ppm2      1.561 CV     1
 OR { 1859}
   (  segid "    " and resid 75   and name HE% )
   (  segid "    " and resid 72   and name HB% )
 ASSI { 1860}
   (  segid "    " and resid 75   and name HE% )
   (( segid "    " and resid 76   and name HG12))
      3.900     1.900     1.900 peak  1860 spectrum    1 weight  0.10000E+01 volume  0.15755E-02 ppm1      6.555 ppm2      0.952 CV     1
 OR { 1860}
   (  segid "    " and resid 75   and name HE% )
   (  segid "    " and resid 56   and name HG2%)
 OR { 1860}
   (  segid "    " and resid 75   and name HE% )
   (  segid "    " and resid 56   and name HG1%)
 ASSI { 1862}
   (  segid "    " and resid 75   and name HE% )
   (  segid "    " and resid 58   and name HD1%)
      2.900     1.100     1.100 peak  1862 spectrum    1 weight  0.10000E+01 volume  0.26374E-02 ppm1      6.554 ppm2      0.631 CV     1
 OR { 1862}
   (  segid "    " and resid 75   and name HE% )
   (  segid "    " and resid 66   and name HD2%)
 ASSI { 1863}
   (  segid "    " and resid 75   and name HD% )
   (  segid "    " and resid 58   and name HD1%)
      2.800     1.000     1.000 peak  1863 spectrum    1 weight  0.10000E+01 volume  0.27229E-02 ppm1      6.820 ppm2      0.622 CV     1
 OR { 1863}
   (  segid "    " and resid 75   and name HD% )
   (  segid "    " and resid 66   and name HD2%)
 OR { 1863}
   (  segid "    " and resid 75   and name HD% )
   (  segid "    " and resid 76   and name HD1%)
 ASSI { 1865}
   (  segid "    " and resid 75   and name HD% )
   (  segid "    " and resid 58   and name HG2%)
      3.900     1.900     1.900 peak  1865 spectrum    1 weight  0.10000E+01 volume  0.81584E-03 ppm1      6.823 ppm2      0.369 CV     1
 OR { 1865}
   (  segid "    " and resid 75   and name HD% )
   (  segid "    " and resid 66   and name HD1%)
 ASSI { 1876}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 80   and name HE22))
      4.300     2.300     1.700 peak  1876 spectrum    1 weight  0.10000E+01 volume  0.27216E-03 ppm1      0.530 ppm2      7.710 CV     1
 OR { 1876}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 79   and name HN  ))
 ASSI { 1882}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 79   and name HN  ))
      3.400     1.500     1.500 peak  1882 spectrum    1 weight  0.10000E+01 volume  0.71105E-03 ppm1      3.500 ppm2      7.701 CV     1
 OR { 1882}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 80   and name HE22))
 ASSI { 1883}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 80   and name HN  ))
      4.100     2.100     1.900 peak  1883 spectrum    1 weight  0.10000E+01 volume  0.52616E-03 ppm1      3.503 ppm2      7.866 CV     1
 OR { 1883}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 56   and name HN  ))
 ASSI { 1885}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 77   and name HA  ))
      3.600     1.600     1.600 peak  1885 spectrum    1 weight  0.10000E+01 volume  0.47865E-03 ppm1      0.528 ppm2      3.892 CV     1
 OR { 1885}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 74   and name HA  ))
 ASSI { 1890}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 54   and name HB2 ))
      3.800     1.800     1.800 peak  1890 spectrum    1 weight  0.10000E+01 volume  0.66570E-03 ppm1      0.528 ppm2      2.750 CV     1
 OR { 1890}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 80   and name HG1 ))
 ASSI { 1898}
   (  segid "    " and resid 76   and name HG2%)
   (  segid "    " and resid 2    and name HB% )
      4.500     2.500     1.500 peak  1898 spectrum    1 weight  0.10000E+01 volume  0.48808E-03 ppm1      0.528 ppm2      1.570 CV     1
 OR { 1898}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 58   and name HG11))
 OR { 1898}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 7    and name HG11))
 ASSI { 1904}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 54   and name HB2 ))
      2.800     2.800     3.200 peak  1904 spectrum    1 weight  0.10000E+01 volume  0.64678E-03 ppm1      0.624 ppm2      2.752 CV     1
 OR { 1904}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 80   and name HG1 ))
 ASSI { 1923}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 80   and name HE22))
      3.000     1.100     1.100 peak  1923 spectrum    1 weight  0.10000E+01 volume  0.28827E-02 ppm1      3.894 ppm2      7.712 CV     1
 OR { 1923}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 79   and name HN  ))
 OR { 1923}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
 ASSI { 1927}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 80   and name HE22))
      3.000     1.100     1.100 peak  1927 spectrum    1 weight  0.10000E+01 volume  0.16953E-02 ppm1      0.824 ppm2      7.709 CV     1
 OR { 1927}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 79   and name HN  ))
 OR { 1927}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 80   and name HE22))
 OR { 1927}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 79   and name HN  ))
 ASSI { 1931}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 4    and name HB1 ))
      2.700     0.900     0.900 peak  1931 spectrum    1 weight  0.10000E+01 volume  0.37980E-02 ppm1      0.825 ppm2      2.177 CV     1
 OR { 1931}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 80   and name HB2 ))
 OR { 1931}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 78   and name HB2 ))
 OR { 1931}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 80   and name HB2 ))
 ASSI { 1934}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 4    and name HB2 ))
      3.300     1.400     1.400 peak  1934 spectrum    1 weight  0.10000E+01 volume  0.10551E-02 ppm1      0.823 ppm2      2.024 CV     1
 OR { 1934}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 74   and name HB1 ))
 ASSI { 1935}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 4    and name HB2 ))
      3.200     1.300     1.300 peak  1935 spectrum    1 weight  0.10000E+01 volume  0.75741E-03 ppm1      0.827 ppm2      2.058 CV     1
 OR { 1935}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 56   and name HB  ))
 ASSI { 1983}
   (( segid "    " and resid 80   and name HA  ))
   (  segid "    " and resid 76   and name HG2%)
      4.900     3.000     1.100 peak  1983 spectrum    1 weight  0.10000E+01 volume  0.52030E-03 ppm1      4.415 ppm2      0.515 CV     1
 OR { 1983}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 76   and name HG2%)
 OR { 1983}
   (( segid "    " and resid 80   and name HA  ))
   (  segid "    " and resid 7    and name HD1%)
 ASSI { 1984}
   (( segid "    " and resid 80   and name HG1 ))
   (  segid "    " and resid 76   and name HG2%)
      4.500     2.500     1.500 peak  1984 spectrum    1 weight  0.10000E+01 volume  0.62328E-03 ppm1      2.715 ppm2      0.527 CV     1
 OR { 1984}
   (( segid "    " and resid 80   and name HG1 ))
   (  segid "    " and resid 7    and name HD1%)
 ASSI { 1985}
   (( segid "    " and resid 80   and name HG2 ))
   (  segid "    " and resid 76   and name HG2%)
      3.600     1.600     1.600 peak  1985 spectrum    1 weight  0.10000E+01 volume  0.76050E-03 ppm1      2.588 ppm2      0.521 CV     1
 OR { 1985}
   (( segid "    " and resid 80   and name HG2 ))
   (  segid "    " and resid 7    and name HD1%)
 ASSI { 1987}
   (( segid "    " and resid 80   and name HB2 ))
   (  segid "    " and resid 76   and name HG2%)
      4.200     2.200     1.800 peak  1987 spectrum    1 weight  0.10000E+01 volume  0.11454E-02 ppm1      2.151 ppm2      0.527 CV     1
 OR { 1987}
   (( segid "    " and resid 4    and name HB1 ))
   (  segid "    " and resid 7    and name HD1%)
 OR { 1987}
   (( segid "    " and resid 4    and name HB1 ))
   (  segid "    " and resid 7    and name HG2%)
 ASSI { 2010}
   (  segid "    " and resid 1    and name HB% )
   (( segid "    " and resid 80   and name HG1 ))
      3.600     1.600     1.600 peak  2010 spectrum    1 weight  0.10000E+01 volume  0.69660E-03 ppm1      1.520 ppm2      2.706 CV     1
 OR { 2010}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 53   and name HD2 ))
 OR { 2010}
   (  segid "    " and resid 1    and name HB% )
   (( segid "    " and resid 54   and name HB2 ))
 ASSI { 2019}
   (( segid "    " and resid 56   and name HB  ))
   (  segid "    " and resid 56   and name HG2%)
      2.100     0.500     0.500 peak  2019 spectrum    1 weight  0.10000E+01 volume  0.69136E-02 ppm1      2.017 ppm2      0.948 CV     1
 OR { 2019}
   (( segid "    " and resid 56   and name HB  ))
   (  segid "    " and resid 56   and name HG1%)
 OR { 2019}
   (( segid "    " and resid 27   and name HB1 ))
   (  segid "    " and resid 8    and name HG1%)
 ASSI { 2031}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 18   and name HG12))
      4.300     2.300     1.700 peak  2031 spectrum    1 weight  0.10000E+01 volume  0.73325E-03 ppm1      0.658 ppm2      1.289 CV     1
 OR { 2031}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 11   and name HB2 ))
 ASSI { 2036}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 28   and name HN  ))
      4.400     2.400     1.600 peak  2036 spectrum    1 weight  0.10000E+01 volume  0.42016E-03 ppm1      0.657 ppm2      8.462 CV     1
 OR { 2036}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 19   and name HN  ))
 ASSI { 2037}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 15   and name HN  ))
      4.000     2.000     2.000 peak  2037 spectrum    1 weight  0.10000E+01 volume  0.51362E-03 ppm1      0.679 ppm2      8.807 CV     1
 OR { 2037}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 50   and name HN  ))
 ASSI { 2038}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 14   and name HN  ))
      4.200     2.200     1.800 peak  2038 spectrum    1 weight  0.10000E+01 volume  0.37355E-03 ppm1      0.669 ppm2      8.222 CV     1
 OR { 2038}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 72   and name HN  ))
 OR { 2038}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 18   and name HN  ))
 ASSI { 2044}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 8    and name HA  ))
      2.600     2.600     3.400 peak  2044 spectrum    1 weight  0.10000E+01 volume  0.99617E-03 ppm1      1.109 ppm2      3.387 CV     1
 OR { 2044}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 69   and name HA  ))
 ASSI { 2048}
   (  segid "    " and resid 1    and name HB% )
   (( segid "    " and resid 80   and name HB1 ))
      3.500     1.500     1.500 peak  2048 spectrum    1 weight  0.10000E+01 volume  0.81063E-03 ppm1      1.519 ppm2      2.337 CV     1
 OR { 2048}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 45   and name HB1 ))
 OR { 2048}
   (  segid "    " and resid 1    and name HB% )
   (( segid "    " and resid 6    and name HG2 ))
 OR { 2048}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 51   and name HG2 ))
 ASSI { 2050}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 50   and name HA  ))
      4.100     2.200     1.900 peak  2050 spectrum    1 weight  0.10000E+01 volume  0.61956E-03 ppm1      1.521 ppm2      3.908 CV     1
 OR { 2050}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 48   and name HA  ))
 OR { 2050}
   (  segid "    " and resid 1    and name HB% )
   (( segid "    " and resid 77   and name HA  ))
 ASSI { 2051}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 52   and name HN  ))
      3.600     1.600     1.600 peak  2051 spectrum    1 weight  0.10000E+01 volume  0.19560E-02 ppm1      1.518 ppm2      7.656 CV     1
 OR { 2051}
   (  segid "    " and resid 1    and name HB% )
   (( segid "    " and resid 80   and name HE21))
 ASSI { 2054}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 54   and name HB2 ))
      6.000     4.600     0.000 peak  2054 spectrum    1 weight  0.10000E+01 volume  0.12500E-03 ppm1      1.570 ppm2      2.726 CV     1
 OR { 2054}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 80   and name HG1 ))
 ASSI { 2058}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 6    and name HB1 ))
      5.000     3.100     1.000 peak  2058 spectrum    1 weight  0.10000E+01 volume  0.74670E-03 ppm1      1.368 ppm2      2.486 CV     1
 OR { 2058}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 5    and name HG1 ))
 ASSI { 2060}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 6    and name HG2 ))
      4.900     3.000     1.100 peak  2060 spectrum    1 weight  0.10000E+01 volume  0.35454E-03 ppm1      1.363 ppm2      2.340 CV     1
 OR { 2060}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 5    and name HG2 ))
 ASSI { 2064}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 16   and name HA  ))
      4.900     3.100     1.100 peak  2064 spectrum    1 weight  0.10000E+01 volume  0.34705E-03 ppm1      1.545 ppm2      4.682 CV     1
 OR { 2064}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 39   and name HA  ))
 ASSI { 2072}
   (( segid "    " and resid 3    and name HA  ))
   (  segid "    " and resid 2    and name HB% )
      5.100     3.200     0.900 peak  2072 spectrum    1 weight  0.10000E+01 volume  0.14828E-03 ppm1      4.439 ppm2      1.551 CV     1
 OR { 2072}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 7    and name HG11))
 ASSI { 2083}
   (( segid "    " and resid 4    and name HG2 ))
   (  segid "    " and resid 28   and name HD2%)
      4.000     2.000     2.000 peak  2083 spectrum    1 weight  0.10000E+01 volume  0.32255E-03 ppm1      2.159 ppm2      0.892 CV     1
 OR { 2083}
   (( segid "    " and resid 4    and name HG2 ))
   (  segid "    " and resid 8    and name HG1%)
 ASSI { 2091}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 56   and name HN  ))
      4.400     2.400     1.600 peak  2091 spectrum    1 weight  0.10000E+01 volume  0.42147E-03 ppm1      2.106 ppm2      7.806 CV     1
 OR { 2091}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 55   and name HN  ))
 OR { 2091}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 55   and name HN  ))
 OR { 2091}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 56   and name HN  ))
 ASSI { 2092}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 57   and name HA  ))
      4.800     2.900     1.200 peak  2092 spectrum    1 weight  0.10000E+01 volume  0.36650E-03 ppm1      2.117 ppm2      4.723 CV     1
 OR { 2092}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 3    and name HB  ))
 ASSI { 2100}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 6    and name HN  ))
      4.700     2.700     1.300 peak  2100 spectrum    1 weight  0.10000E+01 volume  0.37742E-03 ppm1      3.891 ppm2      7.711 CV     1
 OR { 2100}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
 OR { 2100}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 80   and name HE22))
 ASSI { 2102}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 53   and name HB2 ))
      5.100     3.200     0.900 peak  2102 spectrum    1 weight  0.10000E+01 volume  0.33578E-03 ppm1      3.890 ppm2      1.113 CV     1
 OR { 2102}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 73   and name HG2%)
 ASSI { 2103}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 11   and name HG  ))
      4.400     2.400     1.600 peak  2103 spectrum    1 weight  0.10000E+01 volume  0.49997E-03 ppm1      3.891 ppm2      1.987 CV     1
 OR { 2103}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 8    and name HB  ))
 OR { 2103}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 76   and name HG11))
 OR { 2103}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 56   and name HB  ))
 ASSI { 2107}
   (( segid "    " and resid 7    and name HG11))
   (( segid "    " and resid 4    and name HA  ))
      4.300     2.300     1.700 peak  2107 spectrum    1 weight  0.10000E+01 volume  0.31896E-03 ppm1      1.531 ppm2      3.686 CV     1
 OR { 2107}
   (( segid "    " and resid 7    and name HG11))
   (( segid "    " and resid 73   and name HA  ))
 ASSI { 2110}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 76   and name HG11))
      4.700     2.700     1.300 peak  2110 spectrum    1 weight  0.10000E+01 volume  0.40870E-03 ppm1      0.528 ppm2      1.987 CV     1
 OR { 2110}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 56   and name HB  ))
 OR { 2110}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 74   and name HB1 ))
 OR { 2110}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 8    and name HB  ))
 ASSI { 2115}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 3    and name HA  ))
      5.000     3.100     1.000 peak  2115 spectrum    1 weight  0.10000E+01 volume  0.22676E-03 ppm1      0.529 ppm2      4.436 CV     1
 OR { 2115}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 78   and name HA  ))
 ASSI { 2116}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 73   and name HB  ))
      4.700     2.800     1.300 peak  2116 spectrum    1 weight  0.10000E+01 volume  0.39010E-03 ppm1      0.529 ppm2      4.174 CV     1
 OR { 2116}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 6    and name HA  ))
 ASSI { 2119}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 4    and name HN  ))
      5.000     3.100     1.000 peak  2119 spectrum    1 weight  0.10000E+01 volume  0.15769E-03 ppm1      0.535 ppm2      9.232 CV     1
 OR { 2119}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 11   and name HN  ))
 ASSI { 2120}
   (( segid "    " and resid 8    and name HA  ))
   (  segid "    " and resid 12   and name HB% )
      4.600     2.700     1.400 peak  2120 spectrum    1 weight  0.10000E+01 volume  0.43489E-03 ppm1      3.388 ppm2      1.673 CV     1
 OR { 2120}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 77   and name HG  ))
 ASSI { 2121}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 7    and name HB  ))
      4.500     2.500     1.500 peak  2121 spectrum    1 weight  0.10000E+01 volume  0.47444E-03 ppm1      3.393 ppm2      1.779 CV     1
 OR { 2121}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 28   and name HG  ))
 OR { 2121}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 28   and name HB1 ))
 ASSI { 2122}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 73   and name HA  ))
      5.100     3.200     0.900 peak  2122 spectrum    1 weight  0.10000E+01 volume  0.26103E-03 ppm1      3.392 ppm2      3.664 CV     1
 OR { 2122}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 4    and name HA  ))
 ASSI { 2123}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 7    and name HA  ))
      4.500     2.600     1.500 peak  2123 spectrum    1 weight  0.10000E+01 volume  0.36628E-03 ppm1      3.390 ppm2      3.916 CV     1
 OR { 2123}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 5    and name HA  ))
 OR { 2123}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 10   and name HA2 ))
 ASSI { 2124}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 9    and name HA  ))
      4.400     2.400     1.600 peak  2124 spectrum    1 weight  0.10000E+01 volume  0.41089E-03 ppm1      3.393 ppm2      4.178 CV     1
 OR { 2124}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 6    and name HA  ))
 OR { 2124}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 73   and name HB  ))
 ASSI { 2125}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 9    and name HA  ))
      4.600     2.600     1.400 peak  2125 spectrum    1 weight  0.10000E+01 volume  0.38345E-03 ppm1      3.391 ppm2      4.233 CV     1
 OR { 2125}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 11   and name HA  ))
 ASSI { 2129}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 28   and name HB2 ))
      5.500     3.700     0.500 peak  2129 spectrum    1 weight  0.10000E+01 volume  0.30397E-03 ppm1      1.050 ppm2      1.482 CV     1
 OR { 2129}
   (  segid "    " and resid 8    and name HG2%)
   (  segid "    " and resid 9    and name HB% )
 ASSI { 2132}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 11   and name HN  ))
      5.700     4.100     0.300 peak  2132 spectrum    1 weight  0.10000E+01 volume  0.14760E-03 ppm1      1.044 ppm2      9.251 CV     1
 OR { 2132}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 4    and name HN  ))
 ASSI { 2133}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 3    and name HN  ))
      5.400     3.600     0.600 peak  2133 spectrum    1 weight  0.10000E+01 volume  0.19753E-03 ppm1      1.045 ppm2      8.511 CV     1
 OR { 2133}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 76   and name HN  ))
 OR { 2133}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 77   and name HN  ))
 OR { 2133}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 68   and name HN  ))
 OR { 2133}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 76   and name HN  ))
 ASSI { 2134}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 73   and name HN  ))
      4.900     3.000     1.100 peak  2134 spectrum    1 weight  0.10000E+01 volume  0.26966E-03 ppm1      1.043 ppm2      8.628 CV     1
 OR { 2134}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 60   and name HN  ))
 OR { 2134}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 61   and name HN  ))
 ASSI { 2137}
   (( segid "    " and resid 9    and name HA  ))
   (  segid "    " and resid 26   and name HG1%)
      4.600     2.700     1.400 peak  2137 spectrum    1 weight  0.10000E+01 volume  0.43786E-03 ppm1      4.233 ppm2      0.738 CV     1
 OR { 2137}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 14   and name HD1%)
 OR { 2137}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 18   and name HD1%)
 ASSI { 2143}
   (  segid "    " and resid 9    and name HB% )
   (( segid "    " and resid 5    and name HG1 ))
      4.500     2.500     1.500 peak  2143 spectrum    1 weight  0.10000E+01 volume  0.43427E-03 ppm1      1.519 ppm2      2.491 CV     1
 OR { 2143}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 51   and name HB1 ))
 OR { 2143}
   (  segid "    " and resid 9    and name HB% )
   (( segid "    " and resid 6    and name HB1 ))
 OR { 2143}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 52   and name HG1 ))
 ASSI { 2145}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 51   and name HG2 ))
      4.100     2.100     1.900 peak  2145 spectrum    1 weight  0.10000E+01 volume  0.37049E-03 ppm1      1.518 ppm2      2.339 CV     1
 OR { 2145}
   (  segid "    " and resid 9    and name HB% )
   (( segid "    " and resid 5    and name HG2 ))
 OR { 2145}
   (  segid "    " and resid 9    and name HB% )
   (( segid "    " and resid 13   and name HG2 ))
 OR { 2145}
   (  segid "    " and resid 9    and name HB% )
   (( segid "    " and resid 26   and name HB  ))
 OR { 2145}
   (  segid "    " and resid 9    and name HB% )
   (( segid "    " and resid 13   and name HB1 ))
 ASSI { 2147}
   (( segid "    " and resid 10   and name HA2 ))
   (( segid "    " and resid 53   and name HG1 ))
      5.700     4.100     0.300 peak  2147 spectrum    1 weight  0.10000E+01 volume  0.19840E-03 ppm1      3.874 ppm2      0.860 CV     1
 OR { 2147}
   (( segid "    " and resid 10   and name HA2 ))
   (  segid "    " and resid 11   and name HD2%)
 OR { 2147}
   (( segid "    " and resid 10   and name HA2 ))
   (  segid "    " and resid 8    and name HG1%)
 OR { 2147}
   (( segid "    " and resid 10   and name HA2 ))
   (  segid "    " and resid 11   and name HD1%)
 ASSI { 2148}
   (( segid "    " and resid 10   and name HA2 ))
   (  segid "    " and resid 14   and name HD1%)
      4.700     2.800     1.300 peak  2148 spectrum    1 weight  0.10000E+01 volume  0.19522E-03 ppm1      3.883 ppm2      0.718 CV     1
 OR { 2148}
   (( segid "    " and resid 10   and name HA2 ))
   (( segid "    " and resid 53   and name HG2 ))
 OR { 2148}
   (( segid "    " and resid 10   and name HA2 ))
   (  segid "    " and resid 26   and name HG1%)
 ASSI { 2149}
   (( segid "    " and resid 10   and name HA1 ))
   (( segid "    " and resid 53   and name HB2 ))
      4.800     2.800     1.200 peak  2149 spectrum    1 weight  0.10000E+01 volume  0.33903E-03 ppm1      4.063 ppm2      1.061 CV     1
 OR { 2149}
   (( segid "    " and resid 10   and name HA1 ))
   (( segid "    " and resid 14   and name HG12))
 OR { 2149}
   (( segid "    " and resid 10   and name HA1 ))
   (  segid "    " and resid 8    and name HG2%)
 OR { 2149}
   (( segid "    " and resid 10   and name HA1 ))
   (  segid "    " and resid 14   and name HG2%)
 ASSI { 2150}
   (( segid "    " and resid 10   and name HA1 ))
   (( segid "    " and resid 11   and name HB1 ))
      5.400     3.700     0.600 peak  2150 spectrum    1 weight  0.10000E+01 volume  0.17735E-03 ppm1      4.055 ppm2      2.115 CV     1
 OR { 2150}
   (( segid "    " and resid 10   and name HA1 ))
   (( segid "    " and resid 14   and name HB  ))
 ASSI { 2152}
   (( segid "    " and resid 10   and name HA2 ))
   (( segid "    " and resid 53   and name HD2 ))
      4.400     2.500     1.600 peak  2152 spectrum    1 weight  0.10000E+01 volume  0.35910E-03 ppm1      3.880 ppm2      2.711 CV     1
 OR { 2152}
   (( segid "    " and resid 10   and name HA2 ))
   (( segid "    " and resid 54   and name HB2 ))
 ASSI { 2155}
   (( segid "    " and resid 10   and name HA2 ))
   (( segid "    " and resid 11   and name HB1 ))
      5.400     3.700     0.600 peak  2155 spectrum    1 weight  0.10000E+01 volume  0.20952E-03 ppm1      3.873 ppm2      2.103 CV     1
 OR { 2155}
   (( segid "    " and resid 10   and name HA2 ))
   (( segid "    " and resid 14   and name HB  ))
 ASSI { 2158}
   (( segid "    " and resid 10   and name HA2 ))
   (( segid "    " and resid 11   and name HG  ))
      4.900     3.000     1.100 peak  2158 spectrum    1 weight  0.10000E+01 volume  0.46217E-03 ppm1      3.867 ppm2      1.993 CV     1
 OR { 2158}
   (( segid "    " and resid 10   and name HA2 ))
   (( segid "    " and resid 14   and name HG11))
 OR { 2158}
   (( segid "    " and resid 10   and name HA2 ))
   (( segid "    " and resid 8    and name HB  ))
 OR { 2158}
   (( segid "    " and resid 10   and name HA2 ))
   (( segid "    " and resid 23   and name HB  ))
 ASSI { 2159}
   (( segid "    " and resid 10   and name HA1 ))
   (( segid "    " and resid 11   and name HG  ))
      4.700     2.800     1.300 peak  2159 spectrum    1 weight  0.10000E+01 volume  0.51861E-03 ppm1      4.056 ppm2      2.009 CV     1
 OR { 2159}
   (( segid "    " and resid 10   and name HA1 ))
   (( segid "    " and resid 8    and name HB  ))
 OR { 2159}
   (( segid "    " and resid 10   and name HA1 ))
   (( segid "    " and resid 14   and name HG11))
 ASSI { 2162}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 7    and name HG2%)
      4.400     2.400     1.600 peak  2162 spectrum    1 weight  0.10000E+01 volume  0.50818E-03 ppm1      4.258 ppm2      0.596 CV     1
 OR { 2162}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 40   and name H8% )
 OR { 2162}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 76   and name HD1%)
 OR { 2162}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 36   and name HD1%)
 ASSI { 2165}
   (( segid "    " and resid 11   and name HB2 ))
   (  segid "    " and resid 46   and name HG1%)
      4.400     2.400     1.600 peak  2165 spectrum    1 weight  0.10000E+01 volume  0.77205E-03 ppm1      1.290 ppm2      0.667 CV     1
 OR { 2165}
   (( segid "    " and resid 11   and name HB2 ))
   (  segid "    " and resid 40   and name H8% )
 OR { 2165}
   (( segid "    " and resid 11   and name HB2 ))
   (  segid "    " and resid 76   and name HD1%)
 OR { 2165}
   (( segid "    " and resid 11   and name HB2 ))
   (  segid "    " and resid 69   and name HG2%)
 OR { 2165}
   (( segid "    " and resid 11   and name HB2 ))
   (  segid "    " and resid 36   and name HD1%)
 ASSI { 2168}
   (( segid "    " and resid 11   and name HB1 ))
   (  segid "    " and resid 12   and name HB% )
      4.100     2.100     1.900 peak  2168 spectrum    1 weight  0.10000E+01 volume  0.78541E-03 ppm1      2.108 ppm2      1.647 CV     1
 OR { 2168}
   (( segid "    " and resid 11   and name HB1 ))
   (  segid "    " and resid 72   and name HB% )
 ASSI { 2169}
   (  segid "    " and resid 11   and name HD1%)
   (  segid "    " and resid 7    and name HG2%)
      2.700     0.900     0.900 peak  2169 spectrum    1 weight  0.10000E+01 volume  0.40848E-02 ppm1      0.859 ppm2      0.568 CV     1
 OR { 2169}
   (( segid "    " and resid 58   and name HG12))
   (  segid "    " and resid 76   and name HG2%)
 OR { 2169}
   (  segid "    " and resid 11   and name HD1%)
   (  segid "    " and resid 7    and name HD1%)
 OR { 2169}
   (( segid "    " and resid 53   and name HG1 ))
   (  segid "    " and resid 7    and name HG2%)
 OR { 2169}
   (( segid "    " and resid 53   and name HG1 ))
   (  segid "    " and resid 76   and name HG2%)
 OR { 2169}
   (( segid "    " and resid 58   and name HG12))
   (  segid "    " and resid 7    and name HD1%)
 ASSI { 2176}
   (( segid "    " and resid 58   and name HG12))
   (( segid "    " and resid 76   and name HN  ))
      6.000     5.400     0.000 peak  2176 spectrum    1 weight  0.10000E+01 volume  0.69473E-04 ppm1      0.861 ppm2      8.512 CV     1
 OR { 2176}
   (( segid "    " and resid 58   and name HG12))
   (( segid "    " and resid 77   and name HN  ))
 OR { 2176}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 76   and name HN  ))
 OR { 2176}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 68   and name HN  ))
 OR { 2176}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 77   and name HN  ))
 ASSI { 2183}
   (( segid "    " and resid 11   and name HG  ))
   (( segid "    " and resid 10   and name HA1 ))
      4.800     2.900     1.200 peak  2183 spectrum    1 weight  0.10000E+01 volume  0.38370E-03 ppm1      1.985 ppm2      4.040 CV     1
 OR { 2183}
   (( segid "    " and resid 11   and name HG  ))
   (( segid "    " and resid 12   and name HA  ))
 OR { 2183}
   (( segid "    " and resid 11   and name HG  ))
   (( segid "    " and resid 32   and name HA  ))
 ASSI { 2184}
   (( segid "    " and resid 11   and name HG  ))
   (  segid "    " and resid 40   and name H8% )
      3.800     1.800     1.800 peak  2184 spectrum    1 weight  0.10000E+01 volume  0.65196E-03 ppm1      1.992 ppm2      0.646 CV     1
 OR { 2184}
   (( segid "    " and resid 11   and name HG  ))
   (  segid "    " and resid 46   and name HG1%)
 OR { 2184}
   (( segid "    " and resid 11   and name HG  ))
   (  segid "    " and resid 76   and name HD1%)
 OR { 2184}
   (( segid "    " and resid 11   and name HG  ))
   (  segid "    " and resid 36   and name HD1%)
 OR { 2184}
   (( segid "    " and resid 11   and name HG  ))
   (  segid "    " and resid 69   and name HG2%)
 ASSI { 2185}
   (( segid "    " and resid 11   and name HG  ))
   (  segid "    " and resid 26   and name HG1%)
      4.300     2.300     1.700 peak  2185 spectrum    1 weight  0.10000E+01 volume  0.96302E-03 ppm1      1.990 ppm2      0.759 CV     1
 OR { 2185}
   (( segid "    " and resid 11   and name HG  ))
   (  segid "    " and resid 14   and name HD1%)
 OR { 2185}
   (( segid "    " and resid 11   and name HG  ))
   (( segid "    " and resid 40   and name H6B ))
 OR { 2185}
   (( segid "    " and resid 11   and name HG  ))
   (( segid "    " and resid 40   and name H6A ))
 ASSI { 2190}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 46   and name HG1%)
      5.400     3.600     0.600 peak  2190 spectrum    1 weight  0.10000E+01 volume  0.30856E-03 ppm1      4.055 ppm2      0.628 CV     1
 OR { 2190}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 36   and name HD1%)
 ASSI { 2191}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 23   and name HB  ))
      4.600     2.600     1.400 peak  2191 spectrum    1 weight  0.10000E+01 volume  0.64319E-03 ppm1      4.059 ppm2      2.019 CV     1
 OR { 2191}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 11   and name HG  ))
 OR { 2191}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 14   and name HG11))
 OR { 2191}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 30   and name HB1 ))
 ASSI { 2192}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 11   and name HB1 ))
      3.900     1.900     1.900 peak  2192 spectrum    1 weight  0.10000E+01 volume  0.40764E-03 ppm1      4.059 ppm2      2.120 CV     1
 OR { 2192}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 14   and name HB  ))
 ASSI { 2193}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
      4.700     2.700     1.300 peak  2193 spectrum    1 weight  0.10000E+01 volume  0.17312E-03 ppm1      4.068 ppm2      2.734 CV     1
 OR { 2193}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 25   and name HB1 ))
 ASSI { 2194}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 23   and name HA  ))
      4.500     2.500     1.500 peak  2194 spectrum    1 weight  0.10000E+01 volume  0.44822E-03 ppm1      4.054 ppm2      3.600 CV     1
 OR { 2194}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 15   and name HA  ))
 ASSI { 2201}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 8    and name HA  ))
      5.000     3.200     1.000 peak  2201 spectrum    1 weight  0.10000E+01 volume  0.26098E-03 ppm1      1.684 ppm2      3.390 CV     1
 OR { 2201}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 69   and name HA  ))
 ASSI { 2202}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 16   and name HB1 ))
      5.600     4.000     0.400 peak  2202 spectrum    1 weight  0.10000E+01 volume  0.20286E-03 ppm1      1.686 ppm2      3.066 CV     1
 OR { 2202}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 27   and name HE1 ))
 OR { 2202}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 27   and name HE2 ))
 ASSI { 2204}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 11   and name HB1 ))
      4.200     2.200     1.800 peak  2204 spectrum    1 weight  0.10000E+01 volume  0.65259E-03 ppm1      1.687 ppm2      2.117 CV     1
 OR { 2204}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 14   and name HB  ))
 ASSI { 2205}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 24   and name HB2 ))
      4.500     2.600     1.500 peak  2205 spectrum    1 weight  0.10000E+01 volume  0.71605E-03 ppm1      1.687 ppm2      1.970 CV     1
 OR { 2205}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 24   and name HB1 ))
 OR { 2205}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 11   and name HG  ))
 OR { 2205}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 22   and name HG2 ))
 ASSI { 2208}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 11   and name HB2 ))
      5.800     4.300     0.200 peak  2208 spectrum    1 weight  0.10000E+01 volume  0.14652E-03 ppm1      1.685 ppm2      1.321 CV     1
 OR { 2208}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 27   and name HG1 ))
 OR { 2208}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 27   and name HG2 ))
 OR { 2208}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 30   and name HB2 ))
 OR { 2208}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 21   and name HG11))
 ASSI { 2209}
   (  segid "    " and resid 12   and name HB% )
   (  segid "    " and resid 36   and name HD1%)
      5.200     3.400     0.800 peak  2209 spectrum    1 weight  0.10000E+01 volume  0.40140E-03 ppm1      1.678 ppm2      0.625 CV     1
 OR { 2209}
   (  segid "    " and resid 12   and name HB% )
   (  segid "    " and resid 46   and name HG1%)
 OR { 2209}
   (  segid "    " and resid 12   and name HB% )
   (  segid "    " and resid 69   and name HG2%)
 ASSI { 2214}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      4.500     2.600     1.500 peak  2214 spectrum    1 weight  0.10000E+01 volume  0.29353E-03 ppm1      3.948 ppm2      8.795 CV     1
 OR { 2214}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
 ASSI { 2216}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 16   and name HD22))
      5.500     3.800     0.500 peak  2216 spectrum    1 weight  0.10000E+01 volume  0.23270E-03 ppm1      3.946 ppm2      8.071 CV     1
 OR { 2216}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 16   and name HD22))
 ASSI { 2223}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 18   and name HG12))
      4.800     2.800     1.200 peak  2223 spectrum    1 weight  0.10000E+01 volume  0.23480E-03 ppm1      3.830 ppm2      1.316 CV     1
 OR { 2223}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
 ASSI { 2237}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 46   and name HN  ))
      3.800     1.800     1.800 peak  2237 spectrum    1 weight  0.10000E+01 volume  0.34886E-03 ppm1      1.530 ppm2      8.122 CV     1
 OR { 2237}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 54   and name HN  ))
 OR { 2237}
   (  segid "    " and resid 1    and name HB% )
   (( segid "    " and resid 54   and name HN  ))
 ASSI { 2238}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 17   and name HN  ))
      4.100     2.100     1.900 peak  2238 spectrum    1 weight  0.10000E+01 volume  0.26355E-03 ppm1      1.527 ppm2      8.431 CV     1
 OR { 2238}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 19   and name HN  ))
 OR { 2238}
   (  segid "    " and resid 1    and name HB% )
   (( segid "    " and resid 7    and name HN  ))
 OR { 2238}
   (  segid "    " and resid 1    and name HB% )
   (( segid "    " and resid 8    and name HN  ))
 OR { 2238}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 7    and name HN  ))
 ASSI { 2239}
   (  segid "    " and resid 14   and name HG2%)
   (  segid "    " and resid 54   and name HE% )
      6.000     4.500     0.000 peak  2239 spectrum    1 weight  0.10000E+01 volume  0.12152E-03 ppm1      1.072 ppm2      7.137 CV     1
 OR { 2239}
   (  segid "    " and resid 14   and name HG2%)
   (  segid "    " and resid 32   and name HD% )
 ASSI { 2241}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 13   and name HB1 ))
      4.800     2.900     1.200 peak  2241 spectrum    1 weight  0.10000E+01 volume  0.33634E-03 ppm1      0.740 ppm2      2.305 CV     1
 OR { 2241}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 13   and name HG2 ))
 OR { 2241}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 17   and name HG2 ))
 ASSI { 2242}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 13   and name HB2 ))
      3.300     1.400     1.400 peak  2242 spectrum    1 weight  0.10000E+01 volume  0.49436E-03 ppm1      0.735 ppm2      2.250 CV     1
 OR { 2242}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 17   and name HG2 ))
 ASSI { 2243}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 11   and name HB2 ))
      4.900     3.100     1.100 peak  2243 spectrum    1 weight  0.10000E+01 volume  0.34899E-03 ppm1      0.739 ppm2      1.311 CV     1
 OR { 2243}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 18   and name HG12))
 ASSI { 2247}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 10   and name HA1 ))
      4.500     2.500     1.500 peak  2247 spectrum    1 weight  0.10000E+01 volume  0.30680E-03 ppm1      0.735 ppm2      4.064 CV     1
 OR { 2247}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 12   and name HA  ))
 ASSI { 2248}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 13   and name HN  ))
      4.500     2.500     1.500 peak  2248 spectrum    1 weight  0.10000E+01 volume  0.53519E-03 ppm1      0.740 ppm2      7.931 CV     1
 OR { 2248}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 49   and name HN  ))
 ASSI { 2251}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      4.600     2.600     1.400 peak  2251 spectrum    1 weight  0.10000E+01 volume  0.25976E-03 ppm1      3.608 ppm2      7.840 CV     1
 OR { 2251}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
 ASSI { 2255}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 18   and name HA  ))
      5.100     3.300     0.900 peak  2255 spectrum    1 weight  0.10000E+01 volume  0.30716E-03 ppm1      3.605 ppm2      3.944 CV     1
 OR { 2255}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 43   and name HA  ))
 ASSI { 2256}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 14   and name HB  ))
      4.500     2.500     1.500 peak  2256 spectrum    1 weight  0.10000E+01 volume  0.35620E-03 ppm1      3.604 ppm2      2.121 CV     1
 OR { 2256}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 11   and name HB1 ))
 OR { 2256}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 17   and name HB2 ))
 OR { 2256}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 45   and name HB2 ))
 ASSI { 2257}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HB  ))
      2.700     0.900     0.900 peak  2257 spectrum    1 weight  0.10000E+01 volume  0.30355E-02 ppm1      3.601 ppm2      2.252 CV     1
 OR { 2257}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 17   and name HG2 ))
 ASSI { 2258}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 18   and name HG12))
      4.700     2.800     1.300 peak  2258 spectrum    1 weight  0.10000E+01 volume  0.33753E-03 ppm1      3.603 ppm2      1.297 CV     1
 OR { 2258}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 21   and name HG11))
 OR { 2258}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 21   and name HG12))
 ASSI { 2260}
   (( segid "    " and resid 43   and name HG1 ))
   (  segid "    " and resid 33   and name HG2%)
      3.800     1.800     1.800 peak  2260 spectrum    1 weight  0.10000E+01 volume  0.70400E-03 ppm1      2.250 ppm2      1.305 CV     1
 OR { 2260}
   (( segid "    " and resid 43   and name HG2 ))
   (  segid "    " and resid 33   and name HG2%)
 OR { 2260}
   (( segid "    " and resid 69   and name HB  ))
   (( segid "    " and resid 11   and name HB2 ))
 OR { 2260}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 21   and name HG11))
 OR { 2260}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 21   and name HG12))
 OR { 2260}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 11   and name HB2 ))
 OR { 2260}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 18   and name HG12))
 ASSI { 2261}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 43   and name HA  ))
      4.800     2.900     1.200 peak  2261 spectrum    1 weight  0.10000E+01 volume  0.38158E-03 ppm1      1.179 ppm2      3.948 CV     1
 OR { 2261}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 38   and name HA  ))
 OR { 2261}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 13   and name HA  ))
 OR { 2261}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 50   and name HA  ))
 OR { 2261}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 18   and name HA  ))
 OR { 2261}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 20   and name HA2 ))
 ASSI { 2262}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 19   and name HN  ))
      5.500     3.800     0.500 peak  2262 spectrum    1 weight  0.10000E+01 volume  0.15255E-03 ppm1      1.176 ppm2      8.440 CV     1
 OR { 2262}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 17   and name HN  ))
 ASSI { 2264}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 32   and name HZ  ))
      4.300     2.300     1.700 peak  2264 spectrum    1 weight  0.10000E+01 volume  0.77002E-03 ppm1      1.177 ppm2      6.873 CV     1
 OR { 2264}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 16   and name HD21))
 ASSI { 2267}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 46   and name HA  ))
      5.200     3.400     0.800 peak  2267 spectrum    1 weight  0.10000E+01 volume  0.30510E-03 ppm1      1.183 ppm2      3.409 CV     1
 OR { 2267}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 8    and name HA  ))
 ASSI { 2268}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 16   and name HB1 ))
      5.400     3.700     0.600 peak  2268 spectrum    1 weight  0.10000E+01 volume  0.31646E-03 ppm1      1.177 ppm2      3.099 CV     1
 OR { 2268}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 32   and name HB2 ))
 ASSI { 2269}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 11   and name HG  ))
      5.100     3.300     0.900 peak  2269 spectrum    1 weight  0.10000E+01 volume  0.30606E-03 ppm1      1.181 ppm2      2.007 CV     1
 OR { 2269}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 14   and name HG11))
 OR { 2269}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 30   and name HB1 ))
 ASSI { 2270}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 26   and name HB  ))
      4.200     2.200     1.800 peak  2270 spectrum    1 weight  0.10000E+01 volume  0.57729E-03 ppm1      1.178 ppm2      2.355 CV     1
 OR { 2270}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 36   and name HB1 ))
 ASSI { 2271}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 18   and name HB  ))
      4.200     2.200     1.800 peak  2271 spectrum    1 weight  0.10000E+01 volume  0.10418E-02 ppm1      1.177 ppm2      1.674 CV     1
 OR { 2271}
   (  segid "    " and resid 15   and name HG2%)
   (  segid "    " and resid 12   and name HB% )
 OR { 2271}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 18   and name HG11))
 ASSI { 2272}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 21   and name HB  ))
      3.500     1.500     1.500 peak  2272 spectrum    1 weight  0.10000E+01 volume  0.32979E-02 ppm1      1.177 ppm2      1.603 CV     1
 OR { 2272}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 18   and name HB  ))
 OR { 2272}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 18   and name HG11))
 OR { 2272}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 36   and name HB2 ))
 ASSI { 2280}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 26   and name HN  ))
      4.900     3.100     1.100 peak  2280 spectrum    1 weight  0.10000E+01 volume  0.37143E-03 ppm1      0.999 ppm2      7.497 CV     1
 OR { 2280}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 36   and name HN  ))
 ASSI { 2281}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 16   and name HD21))
      5.200     3.400     0.800 peak  2281 spectrum    1 weight  0.10000E+01 volume  0.99233E-04 ppm1      1.002 ppm2      6.868 CV     1
 OR { 2281}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 32   and name HZ  ))
 ASSI { 2284}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      5.900     4.400     0.100 peak  2284 spectrum    1 weight  0.10000E+01 volume  0.28138E-03 ppm1      3.933 ppm2      8.118 CV     1
 OR { 2284}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
 ASSI { 2285}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 17   and name HB2 ))
      5.800     4.200     0.200 peak  2285 spectrum    1 weight  0.10000E+01 volume  0.80304E-04 ppm1      3.929 ppm2      2.143 CV     1
 OR { 2285}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 45   and name HB2 ))
 ASSI { 2286}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 45   and name HB1 ))
      6.000     5.200     0.000 peak  2286 spectrum    1 weight  0.10000E+01 volume  0.66342E-04 ppm1      3.930 ppm2      2.260 CV     1
 OR { 2286}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 17   and name HG2 ))
 OR { 2286}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 36   and name HB1 ))
 OR { 2286}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 45   and name HG2 ))
 OR { 2286}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 43   and name HG2 ))
 OR { 2286}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 43   and name HG1 ))
 OR { 2286}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 46   and name HB  ))
 OR { 2286}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 46   and name HB  ))
 ASSI { 2289}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 15   and name HA  ))
      4.700     2.800     1.300 peak  2289 spectrum    1 weight  0.10000E+01 volume  0.40502E-03 ppm1      3.932 ppm2      3.591 CV     1
 OR { 2289}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 42   and name HB2 ))
 OR { 2289}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 15   and name HA  ))
 OR { 2289}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 42   and name HB2 ))
 ASSI { 2290}
   (( segid "    " and resid 21   and name HB  ))
   (( segid "    " and resid 20   and name HN  ))
      5.100     3.300     0.900 peak  2290 spectrum    1 weight  0.10000E+01 volume  0.31328E-03 ppm1      1.625 ppm2      7.841 CV     1
 OR { 2290}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 20   and name HN  ))
 ASSI { 2291}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 46   and name HN  ))
      6.000     5.100     0.000 peak  2291 spectrum    1 weight  0.10000E+01 volume  0.88058E-04 ppm1      1.636 ppm2      8.098 CV     1
 OR { 2291}
   (( segid "    " and resid 21   and name HB  ))
   (( segid "    " and resid 16   and name HD22))
 ASSI { 2292}
   (( segid "    " and resid 21   and name HB  ))
   (( segid "    " and resid 15   and name HB  ))
      4.600     2.600     1.400 peak  2292 spectrum    1 weight  0.10000E+01 volume  0.43305E-03 ppm1      1.627 ppm2      2.272 CV     1
 OR { 2292}
   (( segid "    " and resid 21   and name HB  ))
   (( segid "    " and resid 36   and name HB1 ))
 OR { 2292}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 45   and name HB1 ))
 OR { 2292}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 17   and name HG2 ))
 OR { 2292}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 46   and name HB  ))
 OR { 2292}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 15   and name HB  ))
 ASSI { 2293}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 45   and name HB2 ))
      5.100     3.300     0.900 peak  2293 spectrum    1 weight  0.10000E+01 volume  0.27626E-03 ppm1      1.622 ppm2      2.135 CV     1
 OR { 2293}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 17   and name HB2 ))
 OR { 2293}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 14   and name HB  ))
 OR { 2293}
   (( segid "    " and resid 21   and name HB  ))
   (( segid "    " and resid 22   and name HG1 ))
 ASSI { 2296}
   (( segid "    " and resid 18   and name HG11))
   (( segid "    " and resid 45   and name HB1 ))
      5.200     3.400     0.800 peak  2296 spectrum    1 weight  0.10000E+01 volume  0.21622E-03 ppm1      1.648 ppm2      2.274 CV     1
 OR { 2296}
   (( segid "    " and resid 18   and name HG11))
   (( segid "    " and resid 17   and name HG2 ))
 OR { 2296}
   (( segid "    " and resid 18   and name HG11))
   (( segid "    " and resid 46   and name HB  ))
 OR { 2296}
   (( segid "    " and resid 18   and name HG11))
   (( segid "    " and resid 45   and name HG2 ))
 ASSI { 2297}
   (( segid "    " and resid 18   and name HG12))
   (( segid "    " and resid 17   and name HG2 ))
      4.600     2.700     1.400 peak  2297 spectrum    1 weight  0.10000E+01 volume  0.42328E-03 ppm1      1.304 ppm2      2.274 CV     1
 OR { 2297}
   (( segid "    " and resid 18   and name HG12))
   (( segid "    " and resid 45   and name HB1 ))
 OR { 2297}
   (( segid "    " and resid 18   and name HG12))
   (( segid "    " and resid 46   and name HB  ))
 OR { 2297}
   (( segid "    " and resid 18   and name HG12))
   (( segid "    " and resid 45   and name HG2 ))
 ASSI { 2298}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 45   and name HB1 ))
      3.300     1.400     1.400 peak  2298 spectrum    1 weight  0.10000E+01 volume  0.33347E-02 ppm1      0.948 ppm2      2.290 CV     1
 OR { 2298}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 45   and name HG2 ))
 OR { 2298}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 46   and name HB  ))
 ASSI { 2303}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 19   and name HN  ))
      5.400     3.700     0.600 peak  2303 spectrum    1 weight  0.10000E+01 volume  0.29204E-03 ppm1      0.780 ppm2      8.442 CV     1
 OR { 2303}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 17   and name HN  ))
 ASSI { 2304}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 50   and name HN  ))
      5.000     3.100     1.000 peak  2304 spectrum    1 weight  0.10000E+01 volume  0.27056E-03 ppm1      0.786 ppm2      8.803 CV     1
 OR { 2304}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 15   and name HN  ))
 ASSI { 2307}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 39   and name HN  ))
      4.500     2.600     1.500 peak  2307 spectrum    1 weight  0.10000E+01 volume  0.43012E-03 ppm1      1.542 ppm2      8.275 CV     1
 OR { 2307}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 43   and name HN  ))
 ASSI { 2308}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 20   and name HA1 ))
      4.900     3.000     1.100 peak  2308 spectrum    1 weight  0.10000E+01 volume  0.37958E-03 ppm1      1.540 ppm2      4.065 CV     1
 OR { 2308}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 22   and name HD1 ))
 OR { 2308}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 12   and name HA  ))
 ASSI { 2311}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 36   and name HB1 ))
      5.900     4.300     0.100 peak  2311 spectrum    1 weight  0.10000E+01 volume  0.10893E-03 ppm1      1.538 ppm2      2.271 CV     1
 OR { 2311}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 15   and name HB  ))
 OR { 2311}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 46   and name HB  ))
 OR { 2311}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 45   and name HB1 ))
 OR { 2311}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 43   and name HG1 ))
 OR { 2311}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 43   and name HG2 ))
 ASSI { 2316}
   (( segid "    " and resid 38   and name HB  ))
   (  segid "    " and resid 32   and name HD% )
      4.100     2.100     1.900 peak  2316 spectrum    1 weight  0.10000E+01 volume  0.46401E-03 ppm1      1.898 ppm2      7.168 CV     1
 OR { 2316}
   (( segid "    " and resid 63   and name HB  ))
   (  segid "    " and resid 32   and name HD% )
 ASSI { 2318}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 39   and name HB1 ))
      4.200     2.200     1.800 peak  2318 spectrum    1 weight  0.10000E+01 volume  0.68739E-03 ppm1      1.894 ppm2      3.082 CV     1
 OR { 2318}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 32   and name HB2 ))
 OR { 2318}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 37   and name HB1 ))
 OR { 2318}
   (( segid "    " and resid 63   and name HB  ))
   (( segid "    " and resid 40   and name H42A))
 OR { 2318}
   (( segid "    " and resid 63   and name HB  ))
   (( segid "    " and resid 75   and name HB1 ))
 OR { 2318}
   (( segid "    " and resid 63   and name HB  ))
   (( segid "    " and resid 65   and name HB1 ))
 ASSI { 2319}
   (( segid "    " and resid 38   and name HB  ))
   (  segid "    " and resid 19   and name HB% )
      5.100     3.300     0.900 peak  2319 spectrum    1 weight  0.10000E+01 volume  0.24691E-03 ppm1      1.896 ppm2      1.556 CV     1
 OR { 2319}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 36   and name HB2 ))
 OR { 2319}
   (( segid "    " and resid 63   and name HB  ))
   (( segid "    " and resid 58   and name HG11))
 OR { 2319}
   (( segid "    " and resid 63   and name HB  ))
   (( segid "    " and resid 40   and name H4B ))
 ASSI { 2320}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 15   and name HA  ))
      3.200     1.300     1.300 peak  2320 spectrum    1 weight  0.10000E+01 volume  0.19259E-02 ppm1      0.936 ppm2      3.625 CV     1
 OR { 2320}
   (  segid "    " and resid 38   and name HG1%)
   (( segid "    " and resid 15   and name HA  ))
 OR { 2320}
   (  segid "    " and resid 38   and name HG1%)
   (( segid "    " and resid 42   and name HB2 ))
 OR { 2320}
   (  segid "    " and resid 38   and name HG1%)
   (( segid "    " and resid 44   and name HA  ))
 ASSI { 2322}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 42   and name HA  ))
      3.900     1.900     1.900 peak  2322 spectrum    1 weight  0.10000E+01 volume  0.71748E-03 ppm1      0.935 ppm2      4.304 CV     1
 OR { 2322}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 41   and name HA  ))
 OR { 2322}
   (  segid "    " and resid 38   and name HG1%)
   (( segid "    " and resid 42   and name HA  ))
 OR { 2322}
   (  segid "    " and resid 38   and name HG1%)
   (( segid "    " and resid 41   and name HA  ))
 ASSI { 2334}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 34   and name HB2 ))
      4.800     2.800     1.200 peak  2334 spectrum    1 weight  0.10000E+01 volume  0.35148E-03 ppm1      1.293 ppm2      2.444 CV     1
 OR { 2334}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 34   and name HB1 ))
 OR { 2334}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 37   and name HB2 ))
 OR { 2334}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 37   and name HB1 ))
 OR { 2334}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 40   and name H38B))
 OR { 2334}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 40   and name H38A))
 ASSI { 2341}
   (( segid "    " and resid 66   and name HB1 ))
   (  segid "    " and resid 63   and name HG2%)
      4.300     2.400     1.700 peak  2341 spectrum    1 weight  0.10000E+01 volume  0.80595E-03 ppm1      2.238 ppm2      0.780 CV     1
 OR { 2341}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 40   and name H6B ))
 OR { 2341}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 40   and name H6A ))
 ASSI { 2348}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 77   and name HG  ))
      5.000     3.100     1.000 peak  2348 spectrum    1 weight  0.10000E+01 volume  0.20792E-03 ppm1      0.522 ppm2      1.652 CV     1
 OR { 2348}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 77   and name HB2 ))
 OR { 2348}
   (  segid "    " and resid 76   and name HG2%)
   (  segid "    " and resid 72   and name HB% )
 ASSI { 2350}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 51   and name HA  ))
      3.900     1.900     1.900 peak  2350 spectrum    1 weight  0.10000E+01 volume  0.14929E-03 ppm1      0.528 ppm2      4.180 CV     1
 OR { 2350}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 81   and name HA  ))
 ASSI { 2351}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 73   and name HA  ))
      6.000     4.800     0.000 peak  2351 spectrum    1 weight  0.10000E+01 volume  0.11104E-03 ppm1      0.519 ppm2      3.700 CV     1
 OR { 2351}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 4    and name HA  ))
 ASSI { 2353}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 80   and name HN  ))
      5.700     4.100     0.300 peak  2353 spectrum    1 weight  0.10000E+01 volume  0.12161E-03 ppm1      0.518 ppm2      7.838 CV     1
 OR { 2353}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 56   and name HN  ))
 ASSI { 2361}
   (( segid "    " and resid 36   and name HG  ))
   (( segid "    " and resid 35   and name HB1 ))
      4.300     2.300     1.700 peak  2361 spectrum    1 weight  0.10000E+01 volume  0.42456E-03 ppm1      1.482 ppm2      3.037 CV     1
 OR { 2361}
   (( segid "    " and resid 36   and name HG  ))
   (( segid "    " and resid 30   and name HE1 ))
 ASSI { 2366}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 30   and name HE1 ))
      4.900     3.000     1.100 peak  2366 spectrum    1 weight  0.10000E+01 volume  0.45106E-03 ppm1      0.621 ppm2      3.020 CV     1
 OR { 2366}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 35   and name HB1 ))
 ASSI { 2371}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 25   and name HA  ))
      3.200     1.200     1.200 peak  2371 spectrum    1 weight  0.10000E+01 volume  0.31437E-03 ppm1      0.778 ppm2      4.587 CV     1
 OR { 2371}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 27   and name HA  ))
 ASSI { 2392}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 40   and name HA  ))
      6.000     5.000     0.000 peak  2392 spectrum    1 weight  0.10000E+01 volume  0.65515E-04 ppm1      3.622 ppm2      4.078 CV     1
 OR { 2392}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 45   and name HA  ))
 ASSI { 2394}
   (( segid "    " and resid 42   and name HB2 ))
   (  segid "    " and resid 18   and name HD1%)
      5.400     3.700     0.600 peak  2394 spectrum    1 weight  0.10000E+01 volume  0.17471E-03 ppm1      3.622 ppm2      0.803 CV     1
 OR { 2394}
   (( segid "    " and resid 42   and name HB2 ))
   (  segid "    " and resid 63   and name HG1%)
 ASSI { 2401}
   (( segid "    " and resid 43   and name HB2 ))
   (  segid "    " and resid 46   and name HG2%)
      4.400     2.500     1.600 peak  2401 spectrum    1 weight  0.10000E+01 volume  0.41370E-03 ppm1      1.817 ppm2      0.990 CV     1
 OR { 2401}
   (( segid "    " and resid 43   and name HB2 ))
   (  segid "    " and resid 47   and name HG2%)
 OR { 2401}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 40   and name H5A ))
 OR { 2401}
   (( segid "    " and resid 43   and name HB2 ))
   (  segid "    " and resid 18   and name HG2%)
 OR { 2401}
   (( segid "    " and resid 43   and name HB2 ))
   (  segid "    " and resid 44   and name HG1%)
 ASSI { 2403}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 15   and name HA  ))
      2.800     1.000     1.000 peak  2403 spectrum    1 weight  0.10000E+01 volume  0.32533E-02 ppm1      2.236 ppm2      3.623 CV     1
 OR { 2403}
   (( segid "    " and resid 44   and name HB  ))
   (( segid "    " and resid 44   and name HA  ))
 OR { 2403}
   (( segid "    " and resid 69   and name HB  ))
   (( segid "    " and resid 28   and name HA  ))
 OR { 2403}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 23   and name HA  ))
 ASSI { 2412}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 40   and name H4B ))
      4.400     2.500     1.600 peak  2412 spectrum    1 weight  0.10000E+01 volume  0.28763E-03 ppm1      3.618 ppm2      1.563 CV     1
 OR { 2412}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 21   and name HB  ))
 OR { 2412}
   (( segid "    " and resid 44   and name HA  ))
   (  segid "    " and resid 49   and name HB% )
 OR { 2412}
   (( segid "    " and resid 23   and name HA  ))
   (  segid "    " and resid 19   and name HB% )
 OR { 2412}
   (( segid "    " and resid 44   and name HA  ))
   (  segid "    " and resid 72   and name HB% )
 OR { 2412}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 36   and name HB2 ))
 ASSI { 2413}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 22   and name HB2 ))
      4.800     2.800     1.200 peak  2413 spectrum    1 weight  0.10000E+01 volume  0.23542E-03 ppm1      3.636 ppm2      1.792 CV     1
 OR { 2413}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 43   and name HB2 ))
 OR { 2413}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 40   and name H4A ))
 OR { 2413}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 64   and name HB1 ))
 OR { 2413}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 66   and name HG  ))
 ASSI { 2414}
   (( segid "    " and resid 44   and name HA  ))
   (  segid "    " and resid 63   and name HG1%)
      4.200     2.200     1.800 peak  2414 spectrum    1 weight  0.10000E+01 volume  0.60102E-03 ppm1      3.634 ppm2      0.775 CV     1
 OR { 2414}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 40   and name H5B ))
 OR { 2414}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 40   and name H6A ))
 OR { 2414}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 40   and name H6B ))
 OR { 2414}
   (( segid "    " and resid 23   and name HA  ))
   (  segid "    " and resid 26   and name HG1%)
 ASSI { 2417}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 52   and name HG1 ))
      6.000     4.800     0.000 peak  2417 spectrum    1 weight  0.10000E+01 volume  0.87125E-04 ppm1      4.237 ppm2      2.425 CV     1
 OR { 2417}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 51   and name HB1 ))
 ASSI { 2419}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 52   and name HG2 ))
      4.400     2.400     1.600 peak  2419 spectrum    1 weight  0.10000E+01 volume  0.57698E-03 ppm1      4.248 ppm2      2.253 CV     1
 OR { 2419}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 13   and name HB2 ))
 OR { 2419}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 51   and name HG2 ))
 OR { 2419}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 15   and name HB  ))
 ASSI { 2422}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 15   and name HA  ))
      4.600     2.600     1.400 peak  2422 spectrum    1 weight  0.10000E+01 volume  0.71377E-04 ppm1      1.532 ppm2      3.628 CV     1
 OR { 2422}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 44   and name HA  ))
 OR { 2422}
   (  segid "    " and resid 1    and name HB% )
   (( segid "    " and resid 79   and name HB1 ))
 OR { 2422}
   (  segid "    " and resid 1    and name HB% )
   (( segid "    " and resid 73   and name HA  ))
 OR { 2422}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 73   and name HA  ))
 ASSI { 2423}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 52   and name HG1 ))
      4.500     2.500     1.500 peak  2423 spectrum    1 weight  0.10000E+01 volume  0.34109E-03 ppm1      1.526 ppm2      2.442 CV     1
 OR { 2423}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 51   and name HB1 ))
 OR { 2423}
   (  segid "    " and resid 1    and name HB% )
   (( segid "    " and resid 6    and name HB1 ))
 OR { 2423}
   (  segid "    " and resid 1    and name HB% )
   (( segid "    " and resid 6    and name HG1 ))
 ASSI { 2425}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 17   and name HG2 ))
      4.600     2.600     1.400 peak  2425 spectrum    1 weight  0.10000E+01 volume  0.17821E-03 ppm1      1.527 ppm2      2.241 CV     1
 OR { 2425}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 52   and name HG2 ))
 OR { 2425}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 47   and name HB  ))
 ASSI { 2427}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 40   and name HA  ))
      2.800     2.800     3.200 peak  2427 spectrum    1 weight  0.10000E+01 volume  0.11021E-02 ppm1      1.418 ppm2      4.111 CV     1
 OR { 2427}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 40   and name HB2 ))
 OR { 2427}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 45   and name HA  ))
 OR { 2427}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 72   and name HA  ))
 ASSI { 2431}
   (  segid "    " and resid 43   and name HE% )
   (  segid "    " and resid 40   and name H8% )
      3.500     1.500     1.500 peak  2431 spectrum    1 weight  0.10000E+01 volume  0.22872E-02 ppm1      1.421 ppm2      0.656 CV     1
 OR { 2431}
   (  segid "    " and resid 43   and name HE% )
   (  segid "    " and resid 46   and name HG1%)
 OR { 2431}
   (  segid "    " and resid 43   and name HE% )
   (  segid "    " and resid 66   and name HD2%)
 OR { 2431}
   (  segid "    " and resid 43   and name HE% )
   (  segid "    " and resid 58   and name HD1%)
 ASSI { 2432}
   (  segid "    " and resid 43   and name HE% )
   (  segid "    " and resid 63   and name HG1%)
      2.800     1.000     1.000 peak  2432 spectrum    1 weight  0.10000E+01 volume  0.22377E-02 ppm1      1.426 ppm2      0.811 CV     1
 OR { 2432}
   (  segid "    " and resid 43   and name HE% )
   (  segid "    " and resid 63   and name HG2%)
 OR { 2432}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 40   and name H5B ))
 ASSI { 2434}
   (  segid "    " and resid 43   and name HE% )
   (  segid "    " and resid 47   and name HG2%)
      3.100     1.200     1.200 peak  2434 spectrum    1 weight  0.10000E+01 volume  0.23538E-02 ppm1      1.424 ppm2      1.006 CV     1
 OR { 2434}
   (  segid "    " and resid 43   and name HE% )
   (  segid "    " and resid 44   and name HG1%)
 OR { 2434}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 40   and name H5A ))
 OR { 2434}
   (  segid "    " and resid 43   and name HE% )
   (  segid "    " and resid 46   and name HG2%)
 ASSI { 2435}
   (  segid "    " and resid 43   and name HE% )
   (  segid "    " and resid 47   and name HG2%)
      3.000     1.100     1.100 peak  2435 spectrum    1 weight  0.10000E+01 volume  0.29153E-02 ppm1      1.424 ppm2      0.971 CV     1
 OR { 2435}
   (  segid "    " and resid 43   and name HE% )
   (  segid "    " and resid 44   and name HG1%)
 OR { 2435}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 40   and name H5A ))
 OR { 2435}
   (  segid "    " and resid 43   and name HE% )
   (  segid "    " and resid 38   and name HG2%)
 OR { 2435}
   (  segid "    " and resid 43   and name HE% )
   (  segid "    " and resid 46   and name HG2%)
 OR { 2435}
   (  segid "    " and resid 43   and name HE% )
   (  segid "    " and resid 38   and name HG1%)
 ASSI { 2436}
   (  segid "    " and resid 43   and name HE% )
   (  segid "    " and resid 40   and name H30%)
      3.100     1.200     1.200 peak  2436 spectrum    1 weight  0.10000E+01 volume  0.26684E-02 ppm1      1.418 ppm2      0.913 CV     1
 OR { 2436}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 66   and name HB2 ))
 OR { 2436}
   (  segid "    " and resid 43   and name HE% )
   (  segid "    " and resid 47   and name HG1%)
 OR { 2436}
   (  segid "    " and resid 43   and name HE% )
   (  segid "    " and resid 38   and name HG2%)
 OR { 2436}
   (  segid "    " and resid 43   and name HE% )
   (  segid "    " and resid 38   and name HG1%)
 ASSI { 2437}
   (  segid "    " and resid 43   and name HE% )
   (  segid "    " and resid 63   and name HG2%)
      3.000     1.100     1.100 peak  2437 spectrum    1 weight  0.10000E+01 volume  0.19420E-02 ppm1      1.424 ppm2      0.872 CV     1
 OR { 2437}
   (  segid "    " and resid 43   and name HE% )
   (  segid "    " and resid 47   and name HG1%)
 ASSI { 2441}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 45   and name HN  ))
      4.100     2.200     1.900 peak  2441 spectrum    1 weight  0.10000E+01 volume  0.64141E-03 ppm1      1.422 ppm2      6.986 CV     1
 OR { 2441}
   (  segid "    " and resid 43   and name HE% )
   (  segid "    " and resid 32   and name HE% )
 ASSI { 2446}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 40   and name H36A))
      3.200     1.300     1.300 peak  2446 spectrum    1 weight  0.10000E+01 volume  0.28462E-03 ppm1      1.419 ppm2      8.063 CV     1
 OR { 2446}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 41   and name HN  ))
 ASSI { 2453}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 32   and name HB1 ))
      3.500     1.600     1.600 peak  2453 spectrum    1 weight  0.10000E+01 volume  0.12090E-02 ppm1      1.428 ppm2      3.167 CV     1
 OR { 2453}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 63   and name HA  ))
 ASSI { 2457}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 43   and name HB2 ))
      3.000     1.100     1.100 peak  2457 spectrum    1 weight  0.10000E+01 volume  0.23179E-02 ppm1      1.427 ppm2      1.829 CV     1
 OR { 2457}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 64   and name HB1 ))
 ASSI { 2458}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 43   and name HB2 ))
      3.300     1.400     1.400 peak  2458 spectrum    1 weight  0.10000E+01 volume  0.15079E-02 ppm1      1.425 ppm2      1.780 CV     1
 OR { 2458}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 40   and name H4A ))
 OR { 2458}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 64   and name HB2 ))
 OR { 2458}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 64   and name HB1 ))
 ASSI { 2462}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HG1 ))
      3.400     1.500     1.500 peak  2462 spectrum    1 weight  0.10000E+01 volume  0.18292E-02 ppm1      4.413 ppm2      2.706 CV     1
 OR { 2462}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 54   and name HB2 ))
 ASSI { 2484}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 38   and name HA  ))
      5.300     3.500     0.700 peak  2484 spectrum    1 weight  0.10000E+01 volume  0.11688E-03 ppm1      1.018 ppm2      3.929 CV     1
 OR { 2484}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 13   and name HA  ))
 OR { 2484}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 43   and name HA  ))
 ASSI { 2486}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 26   and name HA  ))
      5.300     3.500     0.700 peak  2486 spectrum    1 weight  0.10000E+01 volume  0.15574E-03 ppm1      1.017 ppm2      3.580 CV     1
 OR { 2486}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 23   and name HA  ))
 OR { 2486}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 15   and name HA  ))
 ASSI { 2488}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 26   and name HN  ))
      5.200     3.400     0.800 peak  2488 spectrum    1 weight  0.10000E+01 volume  0.25548E-03 ppm1      1.012 ppm2      7.493 CV     1
 OR { 2488}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 36   and name HN  ))
 ASSI { 2489}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 36   and name HB1 ))
      4.400     2.500     1.600 peak  2489 spectrum    1 weight  0.10000E+01 volume  0.37305E-03 ppm1      1.010 ppm2      2.330 CV     1
 OR { 2489}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 22   and name HB1 ))
 ASSI { 2493}
   (( segid "    " and resid 17   and name HG1 ))
   (( segid "    " and resid 18   and name HG12))
      3.900     1.900     1.900 peak  2493 spectrum    1 weight  0.10000E+01 volume  0.23671E-03 ppm1      2.455 ppm2      1.326 CV     1
 OR { 2493}
   (( segid "    " and resid 45   and name HG1 ))
   (( segid "    " and resid 18   and name HG12))
 ASSI { 2494}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 18   and name HG12))
      4.500     2.500     1.500 peak  2494 spectrum    1 weight  0.10000E+01 volume  0.42303E-03 ppm1      2.280 ppm2      1.340 CV     1
 OR { 2494}
   (( segid "    " and resid 45   and name HG2 ))
   (( segid "    " and resid 18   and name HG12))
 OR { 2494}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 27   and name HG1 ))
 OR { 2494}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 27   and name HG2 ))
 OR { 2494}
   (( segid "    " and resid 24   and name HG1 ))
   (( segid "    " and resid 27   and name HG2 ))
 ASSI { 2495}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 79   and name HN  ))
      3.700     1.800     1.800 peak  2495 spectrum    1 weight  0.10000E+01 volume  0.10691E-02 ppm1      4.411 ppm2      7.724 CV     1
 OR { 2495}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 79   and name HN  ))
 OR { 2495}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HE22))
 ASSI { 2504}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 46   and name HA  ))
      3.500     1.500     1.500 peak  2504 spectrum    1 weight  0.10000E+01 volume  0.51084E-03 ppm1      1.501 ppm2      3.448 CV     1
 OR { 2504}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 54   and name HB1 ))
 ASSI { 2507}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 80   and name HN  ))
      3.900     1.900     1.900 peak  2507 spectrum    1 weight  0.10000E+01 volume  0.62936E-03 ppm1      3.896 ppm2      7.854 CV     1
 OR { 2507}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 55   and name HN  ))
 ASSI { 2508}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 55   and name HN  ))
      3.300     1.300     1.300 peak  2508 spectrum    1 weight  0.10000E+01 volume  0.12154E-02 ppm1      4.120 ppm2      7.819 CV     1
 OR { 2508}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 56   and name HN  ))
 ASSI { 2510}
   (  segid "    " and resid 72   and name HB% )
   (  segid "    " and resid 32   and name HD% )
      3.700     1.700     1.700 peak  2510 spectrum    1 weight  0.10000E+01 volume  0.40792E-03 ppm1      1.609 ppm2      7.177 CV     1
 OR { 2510}
   (  segid "    " and resid 72   and name HB% )
   (  segid "    " and resid 54   and name HE% )
 ASSI { 2513}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 9    and name HN  ))
      5.400     3.600     0.600 peak  2513 spectrum    1 weight  0.10000E+01 volume  0.26245E-03 ppm1      0.562 ppm2      7.711 CV     1
 OR { 2513}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 6    and name HN  ))
 OR { 2513}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 80   and name HE22))
 ASSI { 2524}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 67   and name HD2 ))
      5.100     3.200     0.900 peak  2524 spectrum    1 weight  0.10000E+01 volume  0.26127E-03 ppm1      5.216 ppm2      1.786 CV     1
 OR { 2524}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 67   and name HD1 ))
 OR { 2524}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 28   and name HB1 ))
 ASSI { 2544}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 40   and name H4A ))
      3.600     1.600     1.600 peak  2544 spectrum    1 weight  0.10000E+01 volume  0.37199E-03 ppm1      0.459 ppm2      1.807 CV     1
 OR { 2544}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 30   and name HG1 ))
 OR { 2544}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 7    and name HB  ))
 OR { 2544}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 76   and name HB  ))
 OR { 2544}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 74   and name HD1 ))
 ASSI { 2548}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 32   and name HN  ))
      4.800     2.800     1.200 peak  2548 spectrum    1 weight  0.10000E+01 volume  0.16190E-03 ppm1      0.460 ppm2      8.221 CV     1
 OR { 2548}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 72   and name HN  ))
 ASSI { 2552}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 11   and name HN  ))
      4.900     3.000     1.100 peak  2552 spectrum    1 weight  0.10000E+01 volume  0.26793E-03 ppm1      0.659 ppm2      9.219 CV     1
 OR { 2552}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 4    and name HN  ))
 ASSI { 2558}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 80   and name HE22))
      4.600     2.600     1.400 peak  2558 spectrum    1 weight  0.10000E+01 volume  0.25728E-03 ppm1      1.111 ppm2      7.744 CV     1
 OR { 2558}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 79   and name HN  ))
 ASSI { 2560}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 4    and name HE21))
      3.500     1.500     1.500 peak  2560 spectrum    1 weight  0.10000E+01 volume  0.34718E-03 ppm1      1.113 ppm2      6.831 CV     1
 OR { 2560}
   (  segid "    " and resid 73   and name HG2%)
   (  segid "    " and resid 75   and name HD% )
 ASSI { 2561}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 28   and name HA  ))
      3.300     3.300     2.700 peak  2561 spectrum    1 weight  0.10000E+01 volume  0.39934E-03 ppm1      1.107 ppm2      3.578 CV     1
 OR { 2561}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 79   and name HB1 ))
 ASSI { 2568}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 7    and name HN  ))
      3.200     3.200     2.800 peak  2568 spectrum    1 weight  0.10000E+01 volume  0.26327E-03 ppm1      0.628 ppm2      8.390 CV     1
 OR { 2568}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 8    and name HN  ))
 OR { 2568}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 10   and name HN  ))
 ASSI { 2569}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 51   and name HA  ))
      3.000     3.000     3.000 peak  2569 spectrum    1 weight  0.10000E+01 volume  0.44500E-03 ppm1      0.630 ppm2      4.199 CV     1
 OR { 2569}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 73   and name HB  ))
 OR { 2569}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 75   and name HA  ))
 ASSI { 2570}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 72   and name HA  ))
      3.100     1.200     1.200 peak  2570 spectrum    1 weight  0.10000E+01 volume  0.38142E-03 ppm1      0.623 ppm2      4.098 CV     1
 OR { 2570}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 10   and name HA1 ))
 ASSI { 2572}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 80   and name HB2 ))
      3.800     1.800     1.800 peak  2572 spectrum    1 weight  0.10000E+01 volume  0.10222E-03 ppm1      0.625 ppm2      2.113 CV     1
 OR { 2572}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 11   and name HB1 ))
 OR { 2572}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 51   and name HB2 ))
 OR { 2572}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 6    and name HB2 ))
 OR { 2572}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 14   and name HB  ))
 ASSI { 2574}
   (  segid "    " and resid 76   and name HD1%)
   (  segid "    " and resid 73   and name HG2%)
      3.500     1.600     1.600 peak  2574 spectrum    1 weight  0.10000E+01 volume  0.16140E-03 ppm1      0.623 ppm2      1.119 CV     1
 OR { 2574}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 53   and name HB2 ))
 ASSI { 2576}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 77   and name HG  ))
      4.000     2.000     2.000 peak  2576 spectrum    1 weight  0.10000E+01 volume  0.44607E-03 ppm1      3.679 ppm2      1.634 CV     1
 OR { 2576}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 72   and name HB% )
 OR { 2576}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 74   and name HD2 ))
 OR { 2576}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 77   and name HB2 ))
 ASSI { 2577}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 7    and name HG11))
      5.200     3.300     0.800 peak  2577 spectrum    1 weight  0.10000E+01 volume  0.27211E-03 ppm1      3.677 ppm2      1.510 CV     1
 OR { 2577}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 74   and name HG1 ))
 OR { 2577}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 74   and name HG2 ))
 ASSI { 2579}
   (( segid "    " and resid 73   and name HB  ))
   (  segid "    " and resid 76   and name HD1%)
      4.300     2.300     1.700 peak  2579 spectrum    1 weight  0.10000E+01 volume  0.45659E-03 ppm1      4.183 ppm2      0.664 CV     1
 OR { 2579}
   (( segid "    " and resid 73   and name HB  ))
   (  segid "    " and resid 66   and name HD2%)
 OR { 2579}
   (( segid "    " and resid 73   and name HB  ))
   (  segid "    " and resid 40   and name H8% )
 OR { 2579}
   (( segid "    " and resid 73   and name HB  ))
   (  segid "    " and resid 58   and name HD1%)
 ASSI { 2582}
   (( segid "    " and resid 73   and name HB  ))
   (( segid "    " and resid 74   and name HD2 ))
      4.700     2.700     1.300 peak  2582 spectrum    1 weight  0.10000E+01 volume  0.28215E-03 ppm1      4.193 ppm2      1.629 CV     1
 OR { 2582}
   (( segid "    " and resid 73   and name HB  ))
   (  segid "    " and resid 72   and name HB% )
 OR { 2582}
   (( segid "    " and resid 73   and name HB  ))
   (( segid "    " and resid 77   and name HG  ))
 ASSI { 2583}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 7    and name HD1%)
      5.300     3.500     0.700 peak  2583 spectrum    1 weight  0.10000E+01 volume  0.34930E-03 ppm1      4.110 ppm2      0.495 CV     1
 OR { 2583}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 69   and name HG1%)
 OR { 2583}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 76   and name HG2%)
 ASSI { 2584}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 58   and name HG2%)
      5.300     3.600     0.700 peak  2584 spectrum    1 weight  0.10000E+01 volume  0.22202E-03 ppm1      4.113 ppm2      0.286 CV     1
 OR { 2584}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 7    and name HG12))
 ASSI { 2585}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 76   and name HN  ))
      4.600     2.700     1.400 peak  2585 spectrum    1 weight  0.10000E+01 volume  0.36562E-03 ppm1      4.111 ppm2      8.535 CV     1
 OR { 2585}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 77   and name HN  ))
 ASSI { 2587}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 54   and name HA  ))
      6.000     5.800     0.000 peak  2587 spectrum    1 weight  0.10000E+01 volume  0.10476E-03 ppm1      0.524 ppm2      4.855 CV     1
 OR { 2587}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 2    and name HA  ))
 ASSI { 2590}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 51   and name HG2 ))
      5.800     4.100     0.200 peak  2590 spectrum    1 weight  0.10000E+01 volume  0.14579E-03 ppm1      0.338 ppm2      2.321 CV     1
 OR { 2590}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 47   and name HB  ))
 ASSI { 2592}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 62   and name HN  ))
      5.200     3.400     0.800 peak  2592 spectrum    1 weight  0.10000E+01 volume  0.16483E-03 ppm1      0.340 ppm2      7.476 CV     1
 OR { 2592}
   (  segid "    " and resid 58   and name HG2%)
   (  segid "    " and resid 54   and name HD% )
 ASSI { 2601}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 58   and name HD1%)
      5.200     3.400     0.800 peak  2601 spectrum    1 weight  0.10000E+01 volume  0.18624E-03 ppm1      3.927 ppm2      0.644 CV     1
 OR { 2601}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 40   and name H8% )
 OR { 2601}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 46   and name HG1%)
 OR { 2601}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 76   and name HD1%)
 ASSI { 2607}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 45   and name HA  ))
      3.300     1.300     1.300 peak  2607 spectrum    1 weight  0.10000E+01 volume  0.23195E-02 ppm1      1.005 ppm2      4.061 CV     1
 OR { 2607}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 24   and name HA  ))
 OR { 2607}
   (  segid "    " and resid 23   and name HG1%)
   (( segid "    " and resid 12   and name HA  ))
 OR { 2607}
   (  segid "    " and resid 48   and name HG1%)
   (( segid "    " and resid 45   and name HA  ))
 OR { 2607}
   (  segid "    " and resid 23   and name HG1%)
   (( segid "    " and resid 24   and name HA  ))
 OR { 2607}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 12   and name HA  ))
 ASSI { 2608}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 45   and name HG1 ))
      3.700     1.700     1.700 peak  2608 spectrum    1 weight  0.10000E+01 volume  0.14281E-02 ppm1      1.007 ppm2      2.448 CV     1
 OR { 2608}
   (  segid "    " and resid 56   and name HG2%)
   (( segid "    " and resid 51   and name HB1 ))
 OR { 2608}
   (  segid "    " and resid 48   and name HG1%)
   (( segid "    " and resid 51   and name HB1 ))
 OR { 2608}
   (  segid "    " and resid 48   and name HG1%)
   (( segid "    " and resid 52   and name HG1 ))
 OR { 2608}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 40   and name H38B))
 OR { 2608}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 40   and name H38A))
 ASSI { 2610}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 40   and name H4A ))
      5.200     3.400     0.800 peak  2610 spectrum    1 weight  0.10000E+01 volume  0.23205E-03 ppm1      3.327 ppm2      1.769 CV     1
 OR { 2610}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 66   and name HG  ))
 OR { 2610}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 76   and name HB  ))
 ASSI { 2611}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 14   and name HG2%)
      5.000     3.100     1.000 peak  2611 spectrum    1 weight  0.10000E+01 volume  0.37421E-03 ppm1      3.327 ppm2      1.112 CV     1
 OR { 2611}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 48   and name HG2%)
 OR { 2611}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 44   and name HG2%)
 ASSI { 2612}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 48   and name HA  ))
      4.700     2.800     1.300 peak  2612 spectrum    1 weight  0.10000E+01 volume  0.38023E-03 ppm1      3.327 ppm2      3.922 CV     1
 OR { 2612}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 50   and name HA  ))
 ASSI { 2618}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 49   and name HA  ))
      5.300     3.500     0.700 peak  2618 spectrum    1 weight  0.10000E+01 volume  0.34290E-03 ppm1      3.423 ppm2      4.275 CV     1
 OR { 2618}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 11   and name HA  ))
 ASSI { 2625}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 11   and name HG  ))
      4.500     2.500     1.500 peak  2625 spectrum    1 weight  0.10000E+01 volume  0.54202E-03 ppm1      0.674 ppm2      1.985 CV     1
 OR { 2625}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 14   and name HG11))
 ASSI { 2626}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 55   and name HN  ))
      3.200     1.200     1.200 peak  2626 spectrum    1 weight  0.10000E+01 volume  0.13069E-02 ppm1      4.078 ppm2      7.795 CV     1
 OR { 2626}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 48   and name HN  ))
 OR { 2626}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 56   and name HN  ))
 ASSI { 2632}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 53   and name HD2 ))
      4.900     3.100     1.100 peak  2632 spectrum    1 weight  0.10000E+01 volume  0.29230E-03 ppm1      3.960 ppm2      2.738 CV     1
 OR { 2632}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 54   and name HB2 ))
 ASSI { 2639}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 65   and name HD22))
      4.600     2.600     1.400 peak  2639 spectrum    1 weight  0.10000E+01 volume  0.23876E-03 ppm1      4.324 ppm2      7.727 CV     1
 OR { 2639}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 66   and name HN  ))
 ASSI { 2642}
   (  segid "    " and resid 32   and name HE% )
   (  segid "    " and resid 72   and name HB% )
      2.900     1.000     1.000 peak  2642 spectrum    1 weight  0.10000E+01 volume  0.20708E-02 ppm1      6.985 ppm2      1.601 CV     1
 OR { 2642}
   (  segid "    " and resid 32   and name HE% )
   (( segid "    " and resid 40   and name H4B ))
 ASSI { 2643}
   (  segid "    " and resid 32   and name HD% )
   (( segid "    " and resid 36   and name HB2 ))
      4.100     2.100     1.900 peak  2643 spectrum    1 weight  0.10000E+01 volume  0.57907E-03 ppm1      7.177 ppm2      1.581 CV     1
 OR { 2643}
   (  segid "    " and resid 32   and name HD% )
   (( segid "    " and resid 40   and name H4B ))
 OR { 2643}
   (  segid "    " and resid 32   and name HD% )
   (  segid "    " and resid 72   and name HB% )
 ASSI { 2644}
   (  segid "    " and resid 32   and name HD% )
   (( segid "    " and resid 36   and name HG  ))
      4.600     2.700     1.400 peak  2644 spectrum    1 weight  0.10000E+01 volume  0.43570E-03 ppm1      7.176 ppm2      1.437 CV     1
 OR { 2644}
   (  segid "    " and resid 32   and name HD% )
   (( segid "    " and resid 67   and name HG2 ))
 OR { 2644}
   (  segid "    " and resid 32   and name HD% )
   (  segid "    " and resid 43   and name HE% )
 ASSI { 2646}
   (( segid "    " and resid 32   and name HZ  ))
   (  segid "    " and resid 72   and name HB% )
      3.600     1.700     1.700 peak  2646 spectrum    1 weight  0.10000E+01 volume  0.60945E-03 ppm1      6.867 ppm2      1.605 CV     1
 OR { 2646}
   (( segid "    " and resid 32   and name HZ  ))
   (( segid "    " and resid 40   and name H4B ))
 ASSI { 2650}
   (  segid "    " and resid 32   and name HE% )
   (( segid "    " and resid 40   and name H5A ))
      3.600     1.700     1.700 peak  2650 spectrum    1 weight  0.10000E+01 volume  0.82577E-03 ppm1      6.986 ppm2      1.000 CV     1
 OR { 2650}
   (  segid "    " and resid 32   and name HE% )
   (( segid "    " and resid 40   and name H7A ))
 OR { 2650}
   (  segid "    " and resid 32   and name HE% )
   (( segid "    " and resid 40   and name H7B ))
 OR { 2650}
   (  segid "    " and resid 32   and name HE% )
   (  segid "    " and resid 46   and name HG2%)
 OR { 2650}
   (  segid "    " and resid 32   and name HE% )
   (  segid "    " and resid 15   and name HG1%)
 OR { 2650}
   (  segid "    " and resid 32   and name HE% )
   (  segid "    " and resid 47   and name HG2%)
 ASSI { 2651}
   (  segid "    " and resid 32   and name HE% )
   (  segid "    " and resid 11   and name HD1%)
      3.200     1.300     1.300 peak  2651 spectrum    1 weight  0.10000E+01 volume  0.10114E-02 ppm1      6.983 ppm2      0.888 CV     1
 OR { 2651}
   (  segid "    " and resid 32   and name HE% )
   (  segid "    " and resid 11   and name HD2%)
 OR { 2651}
   (  segid "    " and resid 32   and name HE% )
   (( segid "    " and resid 66   and name HB2 ))
 ASSI { 2652}
   (  segid "    " and resid 32   and name HE% )
   (( segid "    " and resid 40   and name H6B ))
      3.800     1.800     1.800 peak  2652 spectrum    1 weight  0.10000E+01 volume  0.63685E-03 ppm1      6.988 ppm2      0.761 CV     1
 OR { 2652}
   (  segid "    " and resid 32   and name HE% )
   (( segid "    " and resid 40   and name H6A ))
 OR { 2652}
   (  segid "    " and resid 32   and name HE% )
   (  segid "    " and resid 26   and name HG1%)
 OR { 2652}
   (  segid "    " and resid 32   and name HE% )
   (( segid "    " and resid 40   and name H5B ))
 ASSI { 2653}
   (  segid "    " and resid 32   and name HE% )
   (  segid "    " and resid 36   and name HD1%)
      3.600     1.600     1.600 peak  2653 spectrum    1 weight  0.10000E+01 volume  0.98010E-03 ppm1      6.984 ppm2      0.643 CV     1
 OR { 2653}
   (  segid "    " and resid 32   and name HE% )
   (  segid "    " and resid 46   and name HG1%)
 OR { 2653}
   (  segid "    " and resid 32   and name HE% )
   (  segid "    " and resid 40   and name H8% )
 OR { 2653}
   (  segid "    " and resid 32   and name HE% )
   (  segid "    " and resid 69   and name HG2%)
 OR { 2653}
   (  segid "    " and resid 32   and name HE% )
   (  segid "    " and resid 66   and name HD2%)
 ASSI { 2659}
   (( segid "    " and resid 32   and name HZ  ))
   (  segid "    " and resid 40   and name H8% )
      4.400     2.400     1.600 peak  2659 spectrum    1 weight  0.10000E+01 volume  0.33906E-03 ppm1      6.868 ppm2      0.625 CV     1
 OR { 2659}
   (( segid "    " and resid 32   and name HZ  ))
   (  segid "    " and resid 36   and name HD1%)
 OR { 2659}
   (( segid "    " and resid 32   and name HZ  ))
   (  segid "    " and resid 69   and name HG2%)
 OR { 2659}
   (( segid "    " and resid 32   and name HZ  ))
   (  segid "    " and resid 76   and name HD1%)
 OR { 2659}
   (( segid "    " and resid 32   and name HZ  ))
   (  segid "    " and resid 46   and name HG1%)
 ASSI { 2664}
   (  segid "    " and resid 9    and name HB% )
   (( segid "    " and resid 4    and name HE22))
      3.400     3.400     2.600 peak  2664 spectrum    1 weight  0.10000E+01 volume  0.39512E-03 ppm1      1.518 ppm2      7.551 CV     1
 OR { 2664}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 63   and name HN  ))
 ASSI { 2668}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 7    and name HN  ))
      3.300     1.300     1.300 peak  2668 spectrum    1 weight  0.10000E+01 volume  0.25984E-03 ppm1      0.824 ppm2      8.378 CV     1
 OR { 2668}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 7    and name HN  ))
 OR { 2668}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 8    and name HN  ))
 OR { 2668}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 8    and name HN  ))
 ASSI { 2669}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 74   and name HB1 ))
      4.600     2.600     1.400 peak  2669 spectrum    1 weight  0.10000E+01 volume  0.33819E-03 ppm1      4.222 ppm2      1.965 CV     1
 OR { 2669}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 76   and name HG11))
 ASSI { 2677}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 40   and name H41A))
      5.900     4.400     0.100 peak  2677 spectrum    1 weight  0.10000E+01 volume  0.52648E-04 ppm1      3.615 ppm2      8.217 CV     1
 OR { 2677}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
 ASSI { 2678}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
      3.600     1.600     1.600 peak  2678 spectrum    1 weight  0.10000E+01 volume  0.40143E-03 ppm1      3.621 ppm2      2.726 CV     1
 OR { 2678}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 25   and name HB1 ))
 ASSI { 2686}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 75   and name HN  ))
      5.800     4.200     0.200 peak  2686 spectrum    1 weight  0.10000E+01 volume  0.11633E-03 ppm1      3.893 ppm2      7.960 CV     1
 OR { 2686}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
 ASSI { 2691}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 79   and name HN  ))
      5.200     3.400     0.800 peak  2691 spectrum    1 weight  0.10000E+01 volume  0.23438E-03 ppm1      1.694 ppm2      7.712 CV     1
 OR { 2691}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 80   and name HE22))
 ASSI { 2699}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 58   and name HB  ))
      4.900     3.000     1.100 peak  2699 spectrum    1 weight  0.10000E+01 volume  0.44444E-03 ppm1      4.181 ppm2      1.695 CV     1
 OR { 2699}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 57   and name HB2 ))
 OR { 2699}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 57   and name HB1 ))
 OR { 2699}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 57   and name HD1 ))
 ASSI { 2710}
   (  segid "    " and resid 56   and name HG2%)
   (( segid "    " and resid 79   and name HN  ))
      4.100     2.100     1.900 peak  2710 spectrum    1 weight  0.10000E+01 volume  0.86235E-03 ppm1      0.973 ppm2      7.727 CV     1
 OR { 2710}
   (  segid "    " and resid 48   and name HG1%)
   (( segid "    " and resid 52   and name HN  ))
 OR { 2710}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 25   and name HN  ))
 OR { 2710}
   (  segid "    " and resid 56   and name HG2%)
   (( segid "    " and resid 80   and name HE22))
 OR { 2710}
   (  segid "    " and resid 23   and name HG1%)
   (( segid "    " and resid 25   and name HN  ))
 ASSI { 2711}
   (  segid "    " and resid 56   and name HG2%)
   (( segid "    " and resid 80   and name HE21))
      3.900     1.900     1.900 peak  2711 spectrum    1 weight  0.10000E+01 volume  0.67678E-03 ppm1      0.972 ppm2      7.680 CV     1
 OR { 2711}
   (  segid "    " and resid 56   and name HG2%)
   (( segid "    " and resid 79   and name HN  ))
 OR { 2711}
   (  segid "    " and resid 56   and name HG2%)
   (( segid "    " and resid 80   and name HE22))
 ASSI { 2730}
   (( segid "    " and resid 80   and name HG2 ))
   (( segid "    " and resid 77   and name HG  ))
      3.300     3.300     2.700 peak  2730 spectrum    1 weight  0.10000E+01 volume  0.25987E-03 ppm1      2.581 ppm2      1.621 CV     1
 OR { 2730}
   (( segid "    " and resid 80   and name HG2 ))
   (( segid "    " and resid 74   and name HD2 ))
 ASSI { 2731}
   (( segid "    " and resid 80   and name HG1 ))
   (( segid "    " and resid 77   and name HB1 ))
      4.900     3.000     1.100 peak  2731 spectrum    1 weight  0.10000E+01 volume  0.30650E-03 ppm1      2.709 ppm2      1.783 CV     1
 OR { 2731}
   (( segid "    " and resid 80   and name HG1 ))
   (( segid "    " and resid 76   and name HB  ))
 ASSI { 2733}
   (( segid "    " and resid 80   and name HG2 ))
   (( segid "    " and resid 78   and name HN  ))
      4.500     2.500     1.500 peak  2733 spectrum    1 weight  0.10000E+01 volume  0.47544E-03 ppm1      2.593 ppm2      8.298 CV     1
 OR { 2733}
   (( segid "    " and resid 80   and name HG2 ))
   (( segid "    " and resid 81   and name HN  ))
 ASSI { 2740}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 47   and name HG1%)
      2.700     0.900     0.900 peak  2740 spectrum    1 weight  0.10000E+01 volume  0.31780E-02 ppm1      1.724 ppm2      0.878 CV     1
 OR { 2740}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 58   and name HG12))
 OR { 2740}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 76   and name HG12))
 ASSI { 2741}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 58   and name HG12))
      3.500     1.500     1.500 peak  2741 spectrum    1 weight  0.10000E+01 volume  0.95918E-03 ppm1      1.721 ppm2      0.784 CV     1
 OR { 2741}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 63   and name HG2%)
 ASSI { 2742}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 47   and name HG2%)
      3.900     1.900     1.900 peak  2742 spectrum    1 weight  0.10000E+01 volume  0.10476E-02 ppm1      1.718 ppm2      0.983 CV     1
 OR { 2742}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 56   and name HG2%)
 OR { 2742}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 40   and name H7B ))
 OR { 2742}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 40   and name H7A ))
 ASSI { 2751}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 51   and name HA  ))
      3.700     1.700     1.700 peak  2751 spectrum    1 weight  0.10000E+01 volume  0.51820E-03 ppm1      0.641 ppm2      4.196 CV     1
 OR { 2751}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 75   and name HA  ))
 OR { 2751}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 60   and name HA  ))
 ASSI { 2755}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 66   and name HG  ))
      4.700     2.700     1.300 peak  2755 spectrum    1 weight  0.10000E+01 volume  0.40636E-03 ppm1      0.636 ppm2      1.828 CV     1
 OR { 2755}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 7    and name HB  ))
 ASSI { 2756}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 51   and name HN  ))
      3.500     1.600     1.600 peak  2756 spectrum    1 weight  0.10000E+01 volume  0.23691E-03 ppm1      0.639 ppm2      8.837 CV     1
 OR { 2756}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 50   and name HN  ))
 OR { 2756}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 2    and name HN  ))
 ASSI { 2759}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 61   and name HB2 ))
      5.100     3.200     0.900 peak  2759 spectrum    1 weight  0.10000E+01 volume  0.26417E-03 ppm1      3.811 ppm2      2.503 CV     1
 OR { 2759}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 79   and name HB2 ))
 OR { 2759}
   (( segid "    " and resid 59   and name HD1 ))
   (( segid "    " and resid 79   and name HB2 ))
 OR { 2759}
   (( segid "    " and resid 59   and name HD1 ))
   (( segid "    " and resid 61   and name HB2 ))
 ASSI { 2767}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 57   and name HB1 ))
      5.600     3.900     0.400 peak  2767 spectrum    1 weight  0.10000E+01 volume  0.96049E-04 ppm1      2.387 ppm2      1.654 CV     1
 OR { 2767}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 57   and name HB2 ))
 OR { 2767}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 64   and name HD1 ))
 OR { 2767}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 64   and name HD2 ))
 ASSI { 2774}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 59   and name HB2 ))
      4.600     2.700     1.400 peak  2774 spectrum    1 weight  0.10000E+01 volume  0.22986E-03 ppm1      2.645 ppm2      1.937 CV     1
 OR { 2774}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 22   and name HG2 ))
 OR { 2774}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 22   and name HG2 ))
 ASSI { 2777}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 66   and name HA  ))
      6.000     5.100     0.000 peak  2777 spectrum    1 weight  0.10000E+01 volume  0.11569E-03 ppm1      3.211 ppm2      4.507 CV     1
 OR { 2777}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 58   and name HA  ))
 ASSI { 2780}
   (( segid "    " and resid 63   and name HA  ))
   (  segid "    " and resid 72   and name HB% )
      6.000     4.600     0.000 peak  2780 spectrum    1 weight  0.10000E+01 volume  0.18310E-03 ppm1      3.212 ppm2      1.598 CV     1
 OR { 2780}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 40   and name H4B ))
 OR { 2780}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 58   and name HG11))
 ASSI { 2782}
   (( segid "    " and resid 63   and name HB  ))
   (  segid "    " and resid 43   and name HE% )
      5.100     3.200     0.900 peak  2782 spectrum    1 weight  0.10000E+01 volume  0.32102E-03 ppm1      1.904 ppm2      1.401 CV     1
 OR { 2782}
   (( segid "    " and resid 38   and name HB  ))
   (  segid "    " and resid 43   and name HE% )
 OR { 2782}
   (( segid "    " and resid 63   and name HB  ))
   (( segid "    " and resid 64   and name HG1 ))
 OR { 2782}
   (( segid "    " and resid 63   and name HB  ))
   (( segid "    " and resid 64   and name HG2 ))
 ASSI { 2785}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 62   and name HB1 ))
      4.800     2.800     1.200 peak  2785 spectrum    1 weight  0.10000E+01 volume  0.34090E-03 ppm1      0.829 ppm2      2.429 CV     1
 OR { 2785}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 62   and name HB2 ))
 OR { 2785}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 40   and name H38B))
 OR { 2785}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 40   and name H38A))
 ASSI { 2787}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 40   and name H43B))
      6.000     4.600     0.000 peak  2787 spectrum    1 weight  0.10000E+01 volume  0.59646E-04 ppm1      0.826 ppm2      2.951 CV     1
 OR { 2787}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 71   and name HB2 ))
 OR { 2787}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 64   and name HE2 ))
 ASSI { 2790}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 40   and name H42B))
      3.800     1.800     1.800 peak  2790 spectrum    1 weight  0.10000E+01 volume  0.24935E-03 ppm1      0.829 ppm2      3.317 CV     1
 OR { 2790}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 47   and name HA  ))
 ASSI { 2794}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 40   and name H42A))
      5.500     3.800     0.500 peak  2794 spectrum    1 weight  0.10000E+01 volume  0.19404E-03 ppm1      0.830 ppm2      3.110 CV     1
 OR { 2794}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 75   and name HB1 ))
 OR { 2794}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 32   and name HB2 ))
 OR { 2794}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 75   and name HB2 ))
 ASSI { 2796}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 65   and name HB1 ))
      6.000     6.000     0.000 peak  2796 spectrum    1 weight  0.10000E+01 volume  0.35042E-04 ppm1      0.828 ppm2      3.002 CV     1
 OR { 2796}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 64   and name HE1 ))
 OR { 2796}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 64   and name HE2 ))
 ASSI { 2806}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 66   and name HG  ))
      4.000     2.000     2.000 peak  2806 spectrum    1 weight  0.10000E+01 volume  0.33591E-03 ppm1      2.725 ppm2      1.813 CV     1
 OR { 2806}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 76   and name HB  ))
 ASSI { 2807}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 57   and name HB2 ))
      5.400     3.700     0.600 peak  2807 spectrum    1 weight  0.10000E+01 volume  0.11224E-03 ppm1      2.739 ppm2      1.692 CV     1
 OR { 2807}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 58   and name HB  ))
 OR { 2807}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 57   and name HD2 ))
 OR { 2807}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 57   and name HB1 ))
 OR { 2807}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 57   and name HD1 ))
 OR { 2807}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 77   and name HB2 ))
 ASSI { 2827}
   (( segid "    " and resid 26   and name HB  ))
   (( segid "    " and resid 12   and name HN  ))
      3.900     1.900     1.900 peak  2827 spectrum    1 weight  0.10000E+01 volume  0.39590E-03 ppm1      2.343 ppm2      8.891 CV     1
 OR { 2827}
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 12   and name HN  ))
 ASSI {    4}
   (( segid "    " and resid 2    and name HN  ))
   (  segid "    " and resid 7    and name HD1%)
      4.800     2.900     1.200 peak     4 spectrum    1 weight  0.10000E+01 volume  0.31098E-03 ppm1      8.841 ppm2      0.526 CV     1
 OR {    4}
   (( segid "    " and resid 2    and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
 ASSI {   18}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      3.900     1.900     1.900 peak    18 spectrum    1 weight  0.10000E+01 volume  0.66851E-03 ppm1      8.538 ppm2      7.693 CV     1
 OR {   18}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 80   and name HE22))
 ASSI {   19}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 7    and name HN  ))
      3.900     1.900     1.900 peak    19 spectrum    1 weight  0.10000E+01 volume  0.92107E-03 ppm1      8.541 ppm2      8.368 CV     1
 OR {   19}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
 ASSI {   28}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 7    and name HB  ))
      5.300     3.600     0.700 peak    28 spectrum    1 weight  0.10000E+01 volume  0.18788E-03 ppm1      9.228 ppm2      1.773 CV     1
 OR {   28}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 74   and name HD1 ))
 OR {   28}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 77   and name HB1 ))
 OR {   28}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 28   and name HG  ))
 OR {   28}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 76   and name HB  ))
 ASSI {   29}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 7    and name HG11))
      5.200     3.300     0.800 peak    29 spectrum    1 weight  0.10000E+01 volume  0.18416E-03 ppm1      9.237 ppm2      1.551 CV     1
 OR {   29}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 2    and name HB% )
 ASSI {   31}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 28   and name HD2%)
      6.000     4.400     0.000 peak    31 spectrum    1 weight  0.10000E+01 volume  0.17115E-03 ppm1      9.235 ppm2      0.917 CV     1
 OR {   31}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 8    and name HG1%)
 ASSI {   47}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
      5.300     3.600     0.700 peak    47 spectrum    1 weight  0.10000E+01 volume  0.23452E-03 ppm1      8.860 ppm2      0.829 CV     1
 OR {   47}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
 OR {   47}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 28   and name HD1%)
 ASSI {   55}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 7    and name HN  ))
      4.500     2.600     1.500 peak    55 spectrum    1 weight  0.10000E+01 volume  0.36291E-03 ppm1      8.865 ppm2      8.368 CV     1
 OR {   55}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
 ASSI {   73}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 7    and name HB  ))
      4.600     2.700     1.400 peak    73 spectrum    1 weight  0.10000E+01 volume  0.53397E-03 ppm1      7.694 ppm2      1.797 CV     1
 OR {   73}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 76   and name HB  ))
 ASSI {   74}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 7    and name HG11))
      4.400     2.400     1.600 peak    74 spectrum    1 weight  0.10000E+01 volume  0.76939E-03 ppm1      7.691 ppm2      1.553 CV     1
 OR {   74}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 2    and name HB% )
 ASSI {   77}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
      4.000     2.000     2.000 peak    77 spectrum    1 weight  0.10000E+01 volume  0.10946E-02 ppm1      7.697 ppm2      0.872 CV     1
 OR {   77}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
 OR {   77}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 8    and name HG1%)
 OR {   77}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 28   and name HD2%)
 ASSI {   84}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 8    and name HG2%)
      4.600     2.600     1.400 peak    84 spectrum    1 weight  0.10000E+01 volume  0.49698E-03 ppm1      8.393 ppm2      1.094 CV     1
 OR {   84}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 73   and name HG2%)
 ASSI {   86}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 8    and name HG1%)
      5.800     4.200     0.200 peak    86 spectrum    1 weight  0.10000E+01 volume  0.24210E-03 ppm1      8.389 ppm2      0.916 CV     1
 OR {   86}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 28   and name HD2%)
 OR {   86}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 76   and name HG12))
 OR {   86}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 56   and name HG1%)
 ASSI {   87}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
      5.000     3.100     1.000 peak    87 spectrum    1 weight  0.10000E+01 volume  0.25869E-03 ppm1      8.390 ppm2      0.825 CV     1
 OR {   87}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
 OR {   87}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 28   and name HD1%)
 OR {   87}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 11   and name HD1%)
 ASSI {   90}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 8    and name HB  ))
      4.400     2.400     1.600 peak    90 spectrum    1 weight  0.10000E+01 volume  0.49192E-03 ppm1      8.395 ppm2      2.028 CV     1
 OR {   90}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 4    and name HB2 ))
 OR {   90}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 76   and name HG11))
 ASSI {  105}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      4.600     2.600     1.400 peak   105 spectrum    1 weight  0.10000E+01 volume  0.19663E-03 ppm1      8.386 ppm2      9.249 CV     1
 OR {  105}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 4    and name HN  ))
 ASSI {  110}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      3.700     1.700     1.700 peak   110 spectrum    1 weight  0.10000E+01 volume  0.63008E-03 ppm1      8.388 ppm2      3.700 CV     1
 OR {  110}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
 ASSI {  113}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      2.600     0.900     0.900 peak   113 spectrum    1 weight  0.10000E+01 volume  0.40580E-02 ppm1      8.389 ppm2      3.937 CV     1
 OR {  113}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
 ASSI {  117}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      3.600     1.700     1.700 peak   117 spectrum    1 weight  0.10000E+01 volume  0.61825E-03 ppm1      7.730 ppm2      3.940 CV     1
 OR {  117}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
 ASSI {  120}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 4    and name HG2 ))
      3.800     1.800     1.800 peak   120 spectrum    1 weight  0.10000E+01 volume  0.37758E-03 ppm1      7.730 ppm2      2.120 CV     1
 OR {  120}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 5    and name HB1 ))
 OR {  120}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI {  128}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 28   and name HD1%)
      4.200     2.200     1.800 peak   128 spectrum    1 weight  0.10000E+01 volume  0.13532E-03 ppm1      7.729 ppm2      0.803 CV     1
 OR {  128}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
 OR {  128}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 36   and name HD2%)
 OR {  128}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 40   and name H6B ))
 OR {  128}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 40   and name H5B ))
 ASSI {  132}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 28   and name HD1%)
      5.000     3.200     1.000 peak   132 spectrum    1 weight  0.10000E+01 volume  0.57748E-03 ppm1      8.388 ppm2      0.804 CV     1
 OR {  132}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
 OR {  132}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
 ASSI {  148}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 8    and name HB  ))
      5.000     3.100     1.000 peak   148 spectrum    1 weight  0.10000E+01 volume  0.36534E-03 ppm1      8.393 ppm2      2.003 CV     1
 OR {  148}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HG  ))
 ASSI {  150}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 14   and name HD1%)
      6.000     4.900     0.000 peak   150 spectrum    1 weight  0.10000E+01 volume  0.99339E-04 ppm1      8.394 ppm2      0.732 CV     1
 OR {  150}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 26   and name HG1%)
 OR {  150}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 53   and name HG2 ))
 ASSI {  157}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      4.900     3.000     1.100 peak   157 spectrum    1 weight  0.10000E+01 volume  0.16628E-03 ppm1      9.241 ppm2      8.205 CV     1
 OR {  157}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 53   and name HN  ))
 ASSI {  160}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 54   and name HZ  ))
      3.600     1.600     1.600 peak   160 spectrum    1 weight  0.10000E+01 volume  0.78066E-03 ppm1      9.238 ppm2      7.462 CV     1
 OR {  160}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 54   and name HD% )
 OR {  160}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
 ASSI {  161}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 54   and name HE% )
      4.200     2.200     1.800 peak   161 spectrum    1 weight  0.10000E+01 volume  0.50378E-03 ppm1      9.241 ppm2      7.132 CV     1
 OR {  161}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 32   and name HD% )
 ASSI {  167}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 26   and name HG1%)
      5.200     3.300     0.800 peak   167 spectrum    1 weight  0.10000E+01 volume  0.48821E-03 ppm1      9.241 ppm2      0.737 CV     1
 OR {  167}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 14   and name HD1%)
 ASSI {  168}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 46   and name HG1%)
      5.200     3.400     0.800 peak   168 spectrum    1 weight  0.10000E+01 volume  0.25815E-03 ppm1      9.239 ppm2      0.645 CV     1
 OR {  168}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  168}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 40   and name H8% )
 OR {  168}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 53   and name HG2 ))
 OR {  168}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 69   and name HG2%)
 OR {  168}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 36   and name HD1%)
 ASSI {  210}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 26   and name HG1%)
      3.900     1.900     1.900 peak   210 spectrum    1 weight  0.10000E+01 volume  0.88377E-03 ppm1      8.911 ppm2      0.738 CV     1
 OR {  210}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 14   and name HD1%)
 ASSI {  216}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      2.500     0.800     0.800 peak   216 spectrum    1 weight  0.10000E+01 volume  0.35273E-02 ppm1      7.946 ppm2      8.196 CV     1
 OR {  216}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 72   and name HN  ))
 ASSI {  226}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 23   and name HG1%)
      4.300     2.300     1.700 peak   226 spectrum    1 weight  0.10000E+01 volume  0.63664E-03 ppm1      7.946 ppm2      0.983 CV     1
 OR {  226}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 15   and name HG1%)
 OR {  226}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 23   and name HG2%)
 OR {  226}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 46   and name HG2%)
 ASSI {  227}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 26   and name HG2%)
      5.200     3.400     0.800 peak   227 spectrum    1 weight  0.10000E+01 volume  0.32355E-03 ppm1      7.946 ppm2      0.897 CV     1
 OR {  227}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 11   and name HD2%)
 OR {  227}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 76   and name HG12))
 OR {  227}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 11   and name HD1%)
 ASSI {  228}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 14   and name HD1%)
      4.900     3.000     1.100 peak   228 spectrum    1 weight  0.10000E+01 volume  0.33413E-03 ppm1      7.947 ppm2      0.732 CV     1
 OR {  228}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 26   and name HG1%)
 ASSI {  231}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      4.100     2.100     1.900 peak   231 spectrum    1 weight  0.10000E+01 volume  0.48331E-03 ppm1      8.194 ppm2      4.069 CV     1
 OR {  231}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 10   and name HA1 ))
 ASSI {  241}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 49   and name HB% )
      5.400     3.700     0.600 peak   241 spectrum    1 weight  0.10000E+01 volume  0.34193E-03 ppm1      8.195 ppm2      1.520 CV     1
 OR {  241}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 50   and name HB% )
 ASSI {  245}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 15   and name HG1%)
      5.200     3.400     0.800 peak   245 spectrum    1 weight  0.10000E+01 volume  0.41972E-03 ppm1      8.194 ppm2      0.977 CV     1
 OR {  245}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 46   and name HG2%)
 ASSI {  265}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 11   and name HD2%)
      4.300     2.300     1.700 peak   265 spectrum    1 weight  0.10000E+01 volume  0.68152E-03 ppm1      8.797 ppm2      0.911 CV     1
 OR {  265}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 26   and name HG2%)
 OR {  265}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 11   and name HD1%)
 OR {  265}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 18   and name HG2%)
 ASSI {  280}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      3.300     1.400     1.400 peak   280 spectrum    1 weight  0.10000E+01 volume  0.99889E-03 ppm1      8.687 ppm2      3.603 CV     1
 OR {  280}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
 ASSI {  283}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 12   and name HB% )
      4.900     3.000     1.100 peak   283 spectrum    1 weight  0.10000E+01 volume  0.25723E-03 ppm1      8.690 ppm2      1.685 CV     1
 OR {  283}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 18   and name HG11))
 ASSI {  304}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 14   and name HG2%)
      3.000     1.200     1.200 peak   304 spectrum    1 weight  0.10000E+01 volume  0.54667E-02 ppm1      8.396 ppm2      1.043 CV     1
 OR {  304}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 15   and name HG1%)
 OR {  304}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 14   and name HG12))
 ASSI {  320}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 20   and name HA1 ))
      5.500     3.800     0.500 peak   320 spectrum    1 weight  0.10000E+01 volume  0.27927E-03 ppm1      8.465 ppm2      4.041 CV     1
 OR {  320}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
 ASSI {  341}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      5.700     4.100     0.300 peak   341 spectrum    1 weight  0.10000E+01 volume  0.15988E-03 ppm1      7.831 ppm2      4.317 CV     1
 OR {  341}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
 ASSI {  397}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 22   and name HB1 ))
      3.700     1.700     1.700 peak   397 spectrum    1 weight  0.10000E+01 volume  0.12394E-02 ppm1      7.733 ppm2      2.333 CV     1
 OR {  397}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HG2 ))
 ASSI {  399}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 22   and name HG1 ))
      5.700     4.000     0.300 peak   399 spectrum    1 weight  0.10000E+01 volume  0.32436E-03 ppm1      7.732 ppm2      2.107 CV     1
 OR {  399}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI {  405}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 36   and name HD2%)
      5.100     3.200     0.900 peak   405 spectrum    1 weight  0.10000E+01 volume  0.28574E-03 ppm1      7.742 ppm2      0.749 CV     1
 OR {  405}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 26   and name HG1%)
 OR {  405}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 18   and name HD1%)
 ASSI {  416}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 30   and name HG1 ))
      4.200     2.200     1.800 peak   416 spectrum    1 weight  0.10000E+01 volume  0.33232E-03 ppm1      7.487 ppm2      1.783 CV     1
 OR {  416}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 27   and name HD1 ))
 OR {  416}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 27   and name HD2 ))
 ASSI {  418}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 27   and name HG1 ))
      3.800     1.800     1.800 peak   418 spectrum    1 weight  0.10000E+01 volume  0.52008E-03 ppm1      7.489 ppm2      1.343 CV     1
 OR {  418}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 27   and name HG2 ))
 OR {  418}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
 OR {  418}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 30   and name HG2 ))
 ASSI {  420}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 21   and name HG2%)
      4.100     2.100     1.900 peak   420 spectrum    1 weight  0.10000E+01 volume  0.94186E-03 ppm1      7.490 ppm2      1.010 CV     1
 OR {  420}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 15   and name HG1%)
 ASSI {  436}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 69   and name HG2%)
      4.000     2.000     2.000 peak   436 spectrum    1 weight  0.10000E+01 volume  0.44628E-03 ppm1      6.368 ppm2      0.631 CV     1
 OR {  436}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 36   and name HD1%)
 ASSI {  448}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 8    and name HG2%)
      4.700     2.700     1.300 peak   448 spectrum    1 weight  0.10000E+01 volume  0.24345E-03 ppm1      8.461 ppm2      1.069 CV     1
 OR {  448}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 73   and name HG2%)
 ASSI {  474}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 63   and name HG1%)
      4.800     2.900     1.200 peak   474 spectrum    1 weight  0.10000E+01 volume  0.47775E-03 ppm1      7.502 ppm2      0.773 CV     1
 OR {  474}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 36   and name HD2%)
 ASSI {  477}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 68   and name HG2%)
      4.500     2.500     1.500 peak   477 spectrum    1 weight  0.10000E+01 volume  0.34109E-03 ppm1      7.505 ppm2      1.052 CV     1
 OR {  477}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 8    and name HG2%)
 ASSI {  483}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 69   and name HB  ))
      4.400     2.400     1.600 peak   483 spectrum    1 weight  0.10000E+01 volume  0.10141E-02 ppm1      7.502 ppm2      2.283 CV     1
 OR {  483}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
 ASSI {  495}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
      4.600     2.600     1.400 peak   495 spectrum    1 weight  0.10000E+01 volume  0.42340E-03 ppm1      7.503 ppm2      8.218 CV     1
 OR {  495}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 72   and name HN  ))
 ASSI {  496}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 69   and name HN  ))
      4.100     2.100     1.900 peak   496 spectrum    1 weight  0.10000E+01 volume  0.42141E-03 ppm1      7.506 ppm2      8.132 CV     1
 OR {  496}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
 ASSI {  517}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 36   and name HD1%)
      4.500     2.500     1.500 peak   517 spectrum    1 weight  0.10000E+01 volume  0.45306E-03 ppm1     10.186 ppm2      0.619 CV     1
 OR {  517}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 69   and name HG2%)
 ASSI {  531}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 36   and name HD1%)
      4.600     2.700     1.400 peak   531 spectrum    1 weight  0.10000E+01 volume  0.35729E-03 ppm1      8.178 ppm2      0.626 CV     1
 OR {  531}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 69   and name HG2%)
 ASSI {  533}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
      5.700     4.000     0.300 peak   533 spectrum    1 weight  0.10000E+01 volume  0.28525E-03 ppm1      8.179 ppm2      2.311 CV     1
 OR {  533}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 69   and name HB  ))
 ASSI {  534}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 66   and name HB1 ))
      5.300     3.500     0.700 peak   534 spectrum    1 weight  0.10000E+01 volume  0.20482E-03 ppm1      8.180 ppm2      2.254 CV     1
 OR {  534}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 69   and name HB  ))
 OR {  534}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 43   and name HG2 ))
 OR {  534}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 43   and name HG1 ))
 ASSI {  536}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 38   and name HG1%)
      5.300     3.500     0.700 peak   536 spectrum    1 weight  0.10000E+01 volume  0.24139E-03 ppm1      8.180 ppm2      0.936 CV     1
 OR {  536}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 66   and name HB2 ))
 OR {  536}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 26   and name HG2%)
 OR {  536}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 11   and name HD2%)
 OR {  536}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
 OR {  536}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 40   and name H7A ))
 OR {  536}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 40   and name H7B ))
 OR {  536}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 28   and name HD2%)
 ASSI {  598}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
      4.300     2.400     1.700 peak   598 spectrum    1 weight  0.10000E+01 volume  0.47663E-03 ppm1      8.047 ppm2      2.295 CV     1
 OR {  598}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 46   and name HB  ))
 ASSI {  603}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 19   and name HB% )
      3.500     1.500     1.500 peak   603 spectrum    1 weight  0.10000E+01 volume  0.19377E-03 ppm1      8.305 ppm2      1.557 CV     1
 OR {  603}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 40   and name H4B ))
 ASSI {  620}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 40   and name H30%)
      5.400     3.600     0.600 peak   620 spectrum    1 weight  0.10000E+01 volume  0.25286E-03 ppm1      8.974 ppm2      0.871 CV     1
 OR {  620}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 41   and name HD1%)
 OR {  620}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 40   and name H31%)
 ASSI {  662}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 46   and name HG2%)
      5.200     3.400     0.800 peak   662 spectrum    1 weight  0.10000E+01 volume  0.23393E-03 ppm1      8.285 ppm2      1.008 CV     1
 OR {  662}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 47   and name HG2%)
 OR {  662}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 44   and name HG1%)
 ASSI {  663}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
      3.700     1.700     1.700 peak   663 spectrum    1 weight  0.10000E+01 volume  0.16309E-02 ppm1      8.288 ppm2      0.930 CV     1
 OR {  663}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 38   and name HG1%)
 OR {  663}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 41   and name HD1%)
 OR {  663}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 44   and name HG1%)
 ASSI {  667}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      3.500     1.600     1.600 peak   667 spectrum    1 weight  0.10000E+01 volume  0.69235E-03 ppm1      7.251 ppm2      3.941 CV     1
 OR {  667}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 42   and name HB1 ))
 ASSI {  683}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
      4.900     3.000     1.100 peak   683 spectrum    1 weight  0.10000E+01 volume  0.25133E-03 ppm1      6.996 ppm2      0.886 CV     1
 OR {  683}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 47   and name HG1%)
 OR {  683}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 38   and name HG1%)
 ASSI {  684}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 18   and name HD1%)
      5.200     3.300     0.800 peak   684 spectrum    1 weight  0.10000E+01 volume  0.42899E-03 ppm1      6.998 ppm2      0.792 CV     1
 OR {  684}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 63   and name HG1%)
 ASSI {  690}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
      4.800     2.900     1.200 peak   690 spectrum    1 weight  0.10000E+01 volume  0.29347E-03 ppm1      8.111 ppm2      8.826 CV     1
 OR {  690}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
 OR {  690}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 51   and name HN  ))
 ASSI {  697}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 43   and name HB1 ))
      3.800     1.800     1.800 peak   697 spectrum    1 weight  0.10000E+01 volume  0.51880E-03 ppm1      8.117 ppm2      2.045 CV     1
 OR {  697}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 48   and name HB  ))
 OR {  697}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
 OR {  697}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 67   and name HB1 ))
 ASSI {  698}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 18   and name HG11))
      4.900     3.000     1.100 peak   698 spectrum    1 weight  0.10000E+01 volume  0.27903E-03 ppm1      8.124 ppm2      1.635 CV     1
 OR {  698}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 18   and name HB  ))
 OR {  698}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 72   and name HB% )
 ASSI {  699}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 49   and name HB% )
      4.800     2.900     1.200 peak   699 spectrum    1 weight  0.10000E+01 volume  0.29087E-03 ppm1      8.116 ppm2      1.505 CV     1
 OR {  699}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 67   and name HG2 ))
 OR {  699}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 50   and name HB% )
 ASSI {  702}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 48   and name HG2%)
      5.300     3.500     0.700 peak   702 spectrum    1 weight  0.10000E+01 volume  0.31396E-03 ppm1      8.117 ppm2      1.156 CV     1
 OR {  702}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 15   and name HG2%)
 OR {  702}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 44   and name HG2%)
 ASSI {  705}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 11   and name HD1%)
      5.000     3.100     1.000 peak   705 spectrum    1 weight  0.10000E+01 volume  0.54414E-03 ppm1      8.118 ppm2      0.881 CV     1
 OR {  705}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 47   and name HG1%)
 OR {  705}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 11   and name HD2%)
 OR {  705}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 28   and name HD2%)
 ASSI {  706}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 18   and name HD1%)
      3.700     1.700     1.700 peak   706 spectrum    1 weight  0.10000E+01 volume  0.10586E-02 ppm1      8.117 ppm2      0.788 CV     1
 OR {  706}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 26   and name HG1%)
 OR {  706}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 28   and name HD1%)
 OR {  706}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 40   and name H5B ))
 OR {  706}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 63   and name HG2%)
 ASSI {  707}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      4.600     2.600     1.400 peak   707 spectrum    1 weight  0.10000E+01 volume  0.75763E-03 ppm1      8.117 ppm2      3.595 CV     1
 OR {  707}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
 OR {  707}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
 ASSI {  717}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 48   and name HG2%)
      4.700     2.800     1.300 peak   717 spectrum    1 weight  0.10000E+01 volume  0.48871E-03 ppm1      7.868 ppm2      1.094 CV     1
 OR {  717}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 14   and name HG2%)
 OR {  717}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 44   and name HG2%)
 ASSI {  720}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 40   and name H5B ))
      5.100     3.300     0.900 peak   720 spectrum    1 weight  0.10000E+01 volume  0.42156E-03 ppm1      7.868 ppm2      0.778 CV     1
 OR {  720}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 63   and name HG2%)
 OR {  720}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 40   and name H6A ))
 OR {  720}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 40   and name H6B ))
 OR {  720}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 63   and name HG1%)
 ASSI {  724}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      4.100     2.100     1.900 peak   724 spectrum    1 weight  0.10000E+01 volume  0.57136E-03 ppm1      7.873 ppm2      3.918 CV     1
 OR {  724}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
 ASSI {  727}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 50   and name HB% )
      5.100     3.300     0.900 peak   727 spectrum    1 weight  0.10000E+01 volume  0.16745E-03 ppm1      7.873 ppm2      1.515 CV     1
 OR {  727}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 49   and name HB% )
 ASSI {  728}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 48   and name HB  ))
      4.800     2.900     1.200 peak   728 spectrum    1 weight  0.10000E+01 volume  0.28084E-03 ppm1      7.873 ppm2      2.066 CV     1
 OR {  728}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 14   and name HB  ))
 OR {  728}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 51   and name HB2 ))
 ASSI {  731}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
      4.100     2.100     1.900 peak   731 spectrum    1 weight  0.10000E+01 volume  0.38357E-03 ppm1      7.786 ppm2      8.828 CV     1
 OR {  731}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 51   and name HN  ))
 ASSI {  736}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 49   and name HB% )
      4.500     2.600     1.500 peak   736 spectrum    1 weight  0.10000E+01 volume  0.45946E-03 ppm1      7.787 ppm2      1.518 CV     1
 OR {  736}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 50   and name HB% )
 ASSI {  742}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 18   and name HD1%)
      4.200     2.200     1.800 peak   742 spectrum    1 weight  0.10000E+01 volume  0.19225E-03 ppm1      7.787 ppm2      0.796 CV     1
 OR {  742}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 63   and name HG1%)
 OR {  742}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 63   and name HG2%)
 OR {  742}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 58   and name HG12))
 ASSI {  743}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 46   and name HG1%)
      5.300     3.500     0.700 peak   743 spectrum    1 weight  0.10000E+01 volume  0.21577E-03 ppm1      7.783 ppm2      0.652 CV     1
 OR {  743}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 40   and name H8% )
 OR {  743}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 36   and name HD1%)
 OR {  743}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 58   and name HD1%)
 OR {  743}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 69   and name HG2%)
 ASSI {  747}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 18   and name HD1%)
      4.300     2.300     1.700 peak   747 spectrum    1 weight  0.10000E+01 volume  0.43670E-03 ppm1      7.920 ppm2      0.765 CV     1
 OR {  747}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 14   and name HD1%)
 ASSI {  748}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 46   and name HG1%)
      4.900     2.900     1.100 peak   748 spectrum    1 weight  0.10000E+01 volume  0.37839E-03 ppm1      7.918 ppm2      0.663 CV     1
 OR {  748}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 40   and name H8% )
 OR {  748}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 58   and name HD1%)
 ASSI {  750}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 47   and name HB  ))
      4.300     2.300     1.700 peak   750 spectrum    1 weight  0.10000E+01 volume  0.42303E-03 ppm1      7.922 ppm2      2.305 CV     1
 OR {  750}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 51   and name HG2 ))
 ASSI {  751}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 47   and name HB  ))
      4.600     2.600     1.400 peak   751 spectrum    1 weight  0.10000E+01 volume  0.31758E-03 ppm1      7.922 ppm2      2.267 CV     1
 OR {  751}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 51   and name HG2 ))
 OR {  751}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 52   and name HG2 ))
 ASSI {  756}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      3.700     1.800     1.800 peak   756 spectrum    1 weight  0.10000E+01 volume  0.68817E-03 ppm1      7.925 ppm2      4.075 CV     1
 OR {  756}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
 ASSI {  764}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 48   and name HG1%)
      4.300     2.300     1.700 peak   764 spectrum    1 weight  0.10000E+01 volume  0.46495E-03 ppm1      8.815 ppm2      0.992 CV     1
 OR {  764}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 47   and name HG2%)
 OR {  764}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 40   and name H7B ))
 OR {  764}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 40   and name H7A ))
 ASSI {  766}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 14   and name HD1%)
      3.600     1.700     1.700 peak   766 spectrum    1 weight  0.10000E+01 volume  0.13614E-02 ppm1      8.814 ppm2      0.732 CV     1
 OR {  766}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 53   and name HG2 ))
 ASSI {  767}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 46   and name HG1%)
      4.100     2.100     1.900 peak   767 spectrum    1 weight  0.10000E+01 volume  0.57854E-03 ppm1      8.818 ppm2      0.645 CV     1
 OR {  767}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 40   and name H8% )
 OR {  767}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 76   and name HD1%)
 OR {  767}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 53   and name HG2 ))
 ASSI {  768}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 47   and name HB  ))
      4.500     2.600     1.500 peak   768 spectrum    1 weight  0.10000E+01 volume  0.20410E-03 ppm1      8.817 ppm2      2.297 CV     1
 OR {  768}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 51   and name HG2 ))
 ASSI {  777}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 53   and name HN  ))
      5.500     3.800     0.500 peak   777 spectrum    1 weight  0.10000E+01 volume  0.89828E-04 ppm1      8.812 ppm2      8.175 CV     1
 OR {  777}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 54   and name HN  ))
 ASSI {  778}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
      3.900     1.900     1.900 peak   778 spectrum    1 weight  0.10000E+01 volume  0.51162E-03 ppm1      8.817 ppm2      8.095 CV     1
 OR {  778}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 54   and name HN  ))
 ASSI {  780}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 48   and name HN  ))
      4.500     2.600     1.500 peak   780 spectrum    1 weight  0.10000E+01 volume  0.22181E-03 ppm1      8.816 ppm2      7.822 CV     1
 OR {  780}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 55   and name HN  ))
 ASSI {  796}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 40   and name H8% )
      4.100     2.100     1.900 peak   796 spectrum    1 weight  0.10000E+01 volume  0.53107E-03 ppm1      8.857 ppm2      0.637 CV     1
 OR {  796}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 58   and name HD1%)
 OR {  796}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 76   and name HD1%)
 ASSI {  798}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
      4.900     2.900     1.100 peak   798 spectrum    1 weight  0.10000E+01 volume  0.24243E-03 ppm1      7.697 ppm2      1.081 CV     1
 OR {  798}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 14   and name HG12))
 ASSI {  802}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HG2 ))
      4.600     2.600     1.400 peak   802 spectrum    1 weight  0.10000E+01 volume  0.60876E-03 ppm1      7.700 ppm2      2.275 CV     1
 OR {  802}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HG2 ))
 ASSI {  821}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 50   and name HB% )
      4.300     2.300     1.700 peak   821 spectrum    1 weight  0.10000E+01 volume  0.42181E-03 ppm1      8.199 ppm2      1.513 CV     1
 OR {  821}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 58   and name HG11))
 ASSI {  823}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      3.900     1.900     1.900 peak   823 spectrum    1 weight  0.10000E+01 volume  0.46127E-03 ppm1      8.213 ppm2      4.231 CV     1
 OR {  823}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
 ASSI {  827}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 51   and name HB2 ))
      4.800     2.900     1.200 peak   827 spectrum    1 weight  0.10000E+01 volume  0.17018E-03 ppm1      8.139 ppm2      2.147 CV     1
 OR {  827}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 80   and name HB2 ))
 ASSI {  830}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 50   and name HB% )
      4.400     2.400     1.600 peak   830 spectrum    1 weight  0.10000E+01 volume  0.37652E-03 ppm1      8.133 ppm2      1.499 CV     1
 OR {  830}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 7    and name HG11))
 ASSI {  835}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HG2 ))
      4.900     3.000     1.100 peak   835 spectrum    1 weight  0.10000E+01 volume  0.40486E-03 ppm1      8.138 ppm2      0.656 CV     1
 OR {  835}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 76   and name HD1%)
 ASSI {  840}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      3.700     1.700     1.700 peak   840 spectrum    1 weight  0.10000E+01 volume  0.87784E-03 ppm1      8.141 ppm2      3.923 CV     1
 OR {  840}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
 ASSI {  846}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      4.300     2.300     1.700 peak   846 spectrum    1 weight  0.10000E+01 volume  0.32757E-03 ppm1      7.818 ppm2      4.206 CV     1
 OR {  846}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
 ASSI {  860}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      2.300     0.600     0.600 peak   860 spectrum    1 weight  0.10000E+01 volume  0.61881E-02 ppm1      8.181 ppm2      4.692 CV     1
 OR {  860}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
 ASSI {  876}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 51   and name HB1 ))
      4.600     2.700     1.400 peak   876 spectrum    1 weight  0.10000E+01 volume  0.26962E-03 ppm1      9.927 ppm2      2.450 CV     1
 OR {  876}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 62   and name HB2 ))
 ASSI {  922}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 64   and name HG1 ))
      5.500     3.800     0.500 peak   922 spectrum    1 weight  0.10000E+01 volume  0.14391E-03 ppm1      7.604 ppm2      1.399 CV     1
 OR {  922}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 64   and name HG2 ))
 OR {  922}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 43   and name HE% )
 ASSI {  924}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
      5.300     3.500     0.700 peak   924 spectrum    1 weight  0.10000E+01 volume  0.24830E-03 ppm1      7.595 ppm2      1.792 CV     1
 OR {  924}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 66   and name HG  ))
 OR {  924}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 64   and name HB1 ))
 ASSI {  925}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
      5.300     3.500     0.700 peak   925 spectrum    1 weight  0.10000E+01 volume  0.26805E-03 ppm1      7.603 ppm2      1.738 CV     1
 OR {  925}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
 ASSI {  927}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
      4.300     2.300     1.700 peak   927 spectrum    1 weight  0.10000E+01 volume  0.22441E-03 ppm1      7.619 ppm2      2.494 CV     1
 OR {  927}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 40   and name H38A))
 OR {  927}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 40   and name H38B))
 ASSI {  933}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 61   and name HN  ))
      4.600     2.700     1.400 peak   933 spectrum    1 weight  0.10000E+01 volume  0.32408E-03 ppm1      7.603 ppm2      8.631 CV     1
 OR {  933}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 60   and name HN  ))
 ASSI {  970}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 63   and name HG2%)
      4.300     2.300     1.700 peak   970 spectrum    1 weight  0.10000E+01 volume  0.37533E-03 ppm1      7.743 ppm2      0.792 CV     1
 OR {  970}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 40   and name H6A ))
 OR {  970}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 40   and name H6B ))
 ASSI {  984}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      3.600     1.600     1.600 peak   984 spectrum    1 weight  0.10000E+01 volume  0.14525E-02 ppm1      8.551 ppm2      4.496 CV     1
 OR {  984}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
 ASSI {  988}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 71   and name HB1 ))
      3.400     1.400     1.400 peak   988 spectrum    1 weight  0.10000E+01 volume  0.25804E-02 ppm1      8.552 ppm2      3.081 CV     1
 OR {  988}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HE2 ))
 OR {  988}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HE1 ))
 ASSI {  992}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 66   and name HD2%)
      5.300     3.500     0.700 peak   992 spectrum    1 weight  0.10000E+01 volume  0.26731E-03 ppm1      8.553 ppm2      0.632 CV     1
 OR {  992}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 69   and name HG2%)
 ASSI { 1008}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 67   and name HG2 ))
      4.000     2.000     2.000 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.55070E-03 ppm1      9.413 ppm2      1.457 CV     1
 OR { 1008}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 74   and name HG1 ))
 OR { 1008}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 74   and name HG2 ))
 ASSI { 1036}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 66   and name HD2%)
      3.800     1.800     1.800 peak  1036 spectrum    1 weight  0.10000E+01 volume  0.86654E-03 ppm1      8.216 ppm2      0.631 CV     1
 OR { 1036}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 58   and name HD1%)
 OR { 1036}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 76   and name HD1%)
 OR { 1036}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 40   and name H8% )
 OR { 1036}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 76   and name HD1%)
 ASSI { 1046}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 75   and name HB1 ))
      4.800     2.800     1.200 peak  1046 spectrum    1 weight  0.10000E+01 volume  0.25453E-03 ppm1      8.645 ppm2      3.115 CV     1
 OR { 1046}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 75   and name HB2 ))
 OR { 1046}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 71   and name HB1 ))
 ASSI { 1051}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
      3.900     1.900     1.900 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.97801E-03 ppm1      8.642 ppm2      0.865 CV     1
 OR { 1051}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 28   and name HD2%)
 OR { 1051}
   (( segid "    " and resid 61   and name HN  ))
   (  segid "    " and resid 47   and name HG1%)
 OR { 1051}
   (( segid "    " and resid 61   and name HN  ))
   (  segid "    " and resid 63   and name HG2%)
 OR { 1051}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
 ASSI { 1052}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 28   and name HD1%)
      4.000     2.000     2.000 peak  1052 spectrum    1 weight  0.10000E+01 volume  0.11069E-02 ppm1      8.643 ppm2      0.838 CV     1
 OR { 1052}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
 OR { 1052}
   (( segid "    " and resid 61   and name HN  ))
   (  segid "    " and resid 63   and name HG2%)
 OR { 1052}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
 ASSI { 1054}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 76   and name HD1%)
      3.600     1.600     1.600 peak  1054 spectrum    1 weight  0.10000E+01 volume  0.10576E-02 ppm1      8.641 ppm2      0.643 CV     1
 OR { 1054}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 66   and name HD2%)
 OR { 1054}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 40   and name H8% )
 OR { 1054}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 58   and name HD1%)
 ASSI { 1066}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 76   and name HD1%)
      4.800     2.900     1.200 peak  1066 spectrum    1 weight  0.10000E+01 volume  0.30740E-03 ppm1      8.010 ppm2      0.636 CV     1
 OR { 1066}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 66   and name HD2%)
 OR { 1066}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 58   and name HD1%)
 ASSI { 1079}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 66   and name HD2%)
      4.100     2.100     1.900 peak  1079 spectrum    1 weight  0.10000E+01 volume  0.10959E-02 ppm1      7.929 ppm2      0.620 CV     1
 OR { 1079}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 40   and name H8% )
 ASSI { 1085}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HB  ))
      2.300     0.700     0.700 peak  1085 spectrum    1 weight  0.10000E+01 volume  0.51315E-02 ppm1      8.534 ppm2      1.773 CV     1
 OR { 1085}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HB  ))
 OR { 1085}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HB1 ))
 ASSI { 1117}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
      4.500     2.500     1.500 peak  1117 spectrum    1 weight  0.10000E+01 volume  0.34315E-03 ppm1      7.716 ppm2      0.520 CV     1
 OR { 1117}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 7    and name HD1%)
 ASSI { 1120}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 78   and name HN  ))
      4.500     2.500     1.500 peak  1120 spectrum    1 weight  0.10000E+01 volume  0.43648E-03 ppm1      7.864 ppm2      8.294 CV     1
 OR { 1120}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 81   and name HN  ))
 ASSI { 1155}
   (( segid "    " and resid 16   and name HD21))
   (( segid "    " and resid 20   and name HA2 ))
      4.300     2.400     1.700 peak  1155 spectrum    1 weight  0.10000E+01 volume  0.41398E-03 ppm1      6.851 ppm2      3.936 CV     1
 OR { 1155}
   (( segid "    " and resid 16   and name HD21))
   (( segid "    " and resid 13   and name HA  ))
 OR { 1155}
   (( segid "    " and resid 16   and name HD21))
   (( segid "    " and resid 17   and name HA  ))
 ASSI { 1170}
   (( segid "    " and resid 4    and name HE21))
   (( segid "    " and resid 4    and name HB2 ))
      4.200     2.200     1.800 peak  1170 spectrum    1 weight  0.10000E+01 volume  0.27473E-03 ppm1      6.831 ppm2      2.041 CV     1
 OR { 1170}
   (( segid "    " and resid 4    and name HE21))
   (( segid "    " and resid 8    and name HB  ))
 ASSI { 1171}
   (( segid "    " and resid 4    and name HE22))
   (( segid "    " and resid 8    and name HB  ))
      5.100     3.300     0.900 peak  1171 spectrum    1 weight  0.10000E+01 volume  0.26447E-03 ppm1      7.509 ppm2      2.045 CV     1
 OR { 1171}
   (( segid "    " and resid 4    and name HE22))
   (( segid "    " and resid 4    and name HB2 ))
 OR { 1171}
   (( segid "    " and resid 4    and name HE22))
   (( segid "    " and resid 5    and name HB1 ))
 ASSI { 1174}
   (( segid "    " and resid 4    and name HE21))
   (  segid "    " and resid 28   and name HD2%)
      3.600     1.600     1.600 peak  1174 spectrum    1 weight  0.10000E+01 volume  0.10012E-02 ppm1      6.833 ppm2      0.911 CV     1
 OR { 1174}
   (( segid "    " and resid 4    and name HE21))
   (  segid "    " and resid 8    and name HG1%)
 ASSI { 1177}
   (( segid "    " and resid 4    and name HE22))
   (  segid "    " and resid 8    and name HG2%)
      5.000     3.100     1.000 peak  1177 spectrum    1 weight  0.10000E+01 volume  0.40118E-03 ppm1      7.511 ppm2      1.065 CV     1
 OR { 1177}
   (( segid "    " and resid 4    and name HE22))
   (  segid "    " and resid 73   and name HG2%)
 ASSI { 1178}
   (( segid "    " and resid 4    and name HE22))
   (  segid "    " and resid 28   and name HD2%)
      4.200     2.200     1.800 peak  1178 spectrum    1 weight  0.10000E+01 volume  0.94542E-03 ppm1      7.509 ppm2      0.907 CV     1
 OR { 1178}
   (( segid "    " and resid 4    and name HE22))
   (  segid "    " and resid 8    and name HG1%)
 ASSI { 1197}
   (( segid "    " and resid 80   and name HE22))
   (  segid "    " and resid 76   and name HG2%)
      3.300     1.400     1.400 peak  1197 spectrum    1 weight  0.10000E+01 volume  0.10385E-02 ppm1      7.714 ppm2      0.522 CV     1
 OR { 1197}
   (( segid "    " and resid 80   and name HE22))
   (  segid "    " and resid 7    and name HD1%)
 ASSI { 1198}
   (( segid "    " and resid 80   and name HE21))
   (  segid "    " and resid 76   and name HG2%)
      2.600     0.900     0.900 peak  1198 spectrum    1 weight  0.10000E+01 volume  0.13963E-02 ppm1      7.643 ppm2      0.524 CV     1
 OR { 1198}
   (( segid "    " and resid 80   and name HE21))
   (  segid "    " and resid 7    and name HD1%)
 ASSI { 1201}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      5.900     4.300     0.100 peak  1201 spectrum    1 weight  0.10000E+01 volume  0.13116E-03 ppm1      7.919 ppm2      4.152 CV     1
 OR { 1201}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
 ASSI { 1206}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 47   and name HG1%)
      5.200     3.400     0.800 peak  1206 spectrum    1 weight  0.10000E+01 volume  0.18585E-03 ppm1      8.636 ppm2      0.852 CV     1
 OR { 1206}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 63   and name HG2%)
 ASSI { 1208}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 27   and name HE1 ))
      5.100     3.200     0.900 peak  1208 spectrum    1 weight  0.10000E+01 volume  0.14698E-03 ppm1      7.489 ppm2      3.047 CV     1
 OR { 1208}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 27   and name HE2 ))
 OR { 1208}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 30   and name HE1 ))
 ASSI { 1216}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 38   and name HG1%)
      4.900     3.000     1.100 peak  1216 spectrum    1 weight  0.10000E+01 volume  0.50026E-03 ppm1      6.465 ppm2      0.929 CV     1
 OR { 1216}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
 OR { 1216}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 26   and name HG2%)
 OR { 1216}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 18   and name HG2%)
 ASSI { 1217}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 36   and name HD2%)
      5.400     3.600     0.600 peak  1217 spectrum    1 weight  0.10000E+01 volume  0.27915E-03 ppm1      6.467 ppm2      0.745 CV     1
 OR { 1217}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 18   and name HD1%)
 OR { 1217}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 26   and name HG1%)
 ASSI { 1219}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 15   and name HB  ))
      5.000     3.100     1.000 peak  1219 spectrum    1 weight  0.10000E+01 volume  0.30848E-03 ppm1      8.905 ppm2      2.233 CV     1
 OR { 1219}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 13   and name HB2 ))
 ASSI { 1222}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 4    and name HG2 ))
      2.900     1.100     1.100 peak  1222 spectrum    1 weight  0.10000E+01 volume  0.30514E-02 ppm1      8.387 ppm2      2.129 CV     1
 OR { 1222}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI { 1225}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      4.600     2.600     1.400 peak  1225 spectrum    1 weight  0.10000E+01 volume  0.31106E-03 ppm1      8.386 ppm2      4.137 CV     1
 OR { 1225}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 73   and name HB  ))
 ASSI { 1230}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      4.600     2.600     1.400 peak  1230 spectrum    1 weight  0.10000E+01 volume  0.17602E-03 ppm1      8.110 ppm2      3.660 CV     1
 OR { 1230}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
 ASSI { 1232}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 21   and name HB  ))
      5.200     3.300     0.800 peak  1232 spectrum    1 weight  0.10000E+01 volume  0.19465E-03 ppm1      8.684 ppm2      1.606 CV     1
 OR { 1232}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 18   and name HB  ))
 OR { 1232}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 18   and name HG11))
 ASSI { 1240}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 74   and name HD1 ))
      5.000     3.100     1.000 peak  1240 spectrum    1 weight  0.10000E+01 volume  0.26734E-03 ppm1      8.645 ppm2      1.772 CV     1
 OR { 1240}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 76   and name HB  ))
 OR { 1240}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 7    and name HB  ))
 OR { 1240}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
 OR { 1240}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 77   and name HB1 ))
 ASSI { 1245}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HG  ))
      2.400     0.700     0.700 peak  1245 spectrum    1 weight  0.10000E+01 volume  0.31001E-02 ppm1      8.495 ppm2      1.659 CV     1
 OR { 1245}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HB2 ))
 OR { 1245}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 77   and name HG  ))
 ASSI { 1250}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 51   and name HG2 ))
      5.900     4.300     0.100 peak  1250 spectrum    1 weight  0.10000E+01 volume  0.13507E-03 ppm1      8.180 ppm2      2.300 CV     1
 OR { 1250}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 69   and name HB  ))
 OR { 1250}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 80   and name HB1 ))
 ASSI {   30}
   (( segid "    " and resid 47   and name HB  ))
   (  segid "    " and resid 40   and name H8% )
      5.100     3.200     0.900 peak    30 spectrum    1 weight  0.10000E+01 volume  0.64772E-03 ppm1      2.295 ppm2      0.628 CV     1
 OR {   30}
   (( segid "    " and resid 69   and name HB  ))
   (  segid "    " and resid 40   and name H8% )


 ASSI {    4}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 53   and name HB1 ))
      2.900     1.100     1.100 peak     4 spectrum    1 weight  0.10000E+01 volume  0.13426E-02 ppm1      3.962 ppm2      1.616 CV     1
 ASSI {    5}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 50   and name HB% )
      2.300     0.600     0.600 peak     5 spectrum    1 weight  0.10000E+01 volume  0.68652E-02 ppm1      3.956 ppm2      1.498 CV     1
 ASSI {   10}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      3.200     1.300     1.300 peak    10 spectrum    1 weight  0.10000E+01 volume  0.11286E-02 ppm1      3.957 ppm2      8.200 CV     1
 ASSI {   11}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 54   and name HZ  ))
      3.200     1.200     1.200 peak    11 spectrum    1 weight  0.10000E+01 volume  0.20124E-02 ppm1      3.957 ppm2      7.458 CV     1
 OR {   11}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 54   and name HD% )
 ASSI {   12}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      2.700     0.900     0.900 peak    12 spectrum    1 weight  0.10000E+01 volume  0.26456E-02 ppm1      3.956 ppm2      8.822 CV     1
 ASSI {   13}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 47   and name HA  ))
      2.700     0.900     0.900 peak    13 spectrum    1 weight  0.10000E+01 volume  0.22923E-02 ppm1      1.499 ppm2      3.329 CV     1
 ASSI {   14}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 54   and name HZ  ))
      3.200     1.300     1.300 peak    14 spectrum    1 weight  0.10000E+01 volume  0.22987E-02 ppm1      1.500 ppm2      7.462 CV     1
 OR {   14}
   (  segid "    " and resid 50   and name HB% )
   (  segid "    " and resid 54   and name HD% )
 ASSI {   15}
   (  segid "    " and resid 50   and name HB% )
   (  segid "    " and resid 54   and name HE% )
      3.100     1.200     1.200 peak    15 spectrum    1 weight  0.10000E+01 volume  0.87896E-03 ppm1      1.503 ppm2      7.125 CV     1
 ASSI {   16}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 50   and name HN  ))
      2.300     0.600     0.600 peak    16 spectrum    1 weight  0.10000E+01 volume  0.69554E-02 ppm1      1.502 ppm2      8.825 CV     1
 ASSI {   21}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 2    and name HA  ))
      2.200     0.600     0.600 peak    21 spectrum    1 weight  0.10000E+01 volume  0.83760E-02 ppm1      1.568 ppm2      4.826 CV     1
 ASSI {   22}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 3    and name HN  ))
      2.400     0.700     0.700 peak    22 spectrum    1 weight  0.10000E+01 volume  0.36887E-02 ppm1      1.567 ppm2      8.537 CV     1
 ASSI {   23}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 7    and name HN  ))
      3.800     1.800     1.800 peak    23 spectrum    1 weight  0.10000E+01 volume  0.12045E-02 ppm1      1.567 ppm2      8.391 CV     1
 ASSI {   25}
   (  segid "    " and resid 2    and name HB% )
   (  segid "    " and resid 54   and name HD% )
      2.800     1.000     1.000 peak    25 spectrum    1 weight  0.10000E+01 volume  0.19397E-02 ppm1      1.567 ppm2      7.468 CV     1
 ASSI {   26}
   (  segid "    " and resid 2    and name HB% )
   (  segid "    " and resid 54   and name HE% )
      3.600     1.600     1.600 peak    26 spectrum    1 weight  0.10000E+01 volume  0.10314E-02 ppm1      1.567 ppm2      7.129 CV     1
 ASSI {   27}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 1    and name HA  ))
      4.400     2.400     1.600 peak    27 spectrum    1 weight  0.10000E+01 volume  0.44516E-03 ppm1      1.567 ppm2      4.034 CV     1
 ASSI {   28}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 7    and name HA  ))
      3.900     1.900     1.900 peak    28 spectrum    1 weight  0.10000E+01 volume  0.84275E-03 ppm1      1.568 ppm2      3.895 CV     1
 ASSI {   29}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 6    and name HB1 ))
      2.900     1.100     1.100 peak    29 spectrum    1 weight  0.10000E+01 volume  0.29359E-02 ppm1      1.568 ppm2      2.490 CV     1
 ASSI {   30}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 6    and name HG2 ))
      4.200     2.200     1.800 peak    30 spectrum    1 weight  0.10000E+01 volume  0.12225E-02 ppm1      1.565 ppm2      2.395 CV     1
 OR {   30}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 6    and name HG1 ))
 ASSI {   31}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 80   and name HB1 ))
      6.000     6.000     0.000 peak    31 spectrum    1 weight  0.10000E+01 volume  0.23182E-04 ppm1      1.571 ppm2      2.323 CV     1
 ASSI {   32}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 6    and name HB2 ))
      2.700     0.900     0.900 peak    32 spectrum    1 weight  0.10000E+01 volume  0.22285E-02 ppm1      1.567 ppm2      2.110 CV     1
 ASSI {   35}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 7    and name HG12))
      3.000     1.100     1.100 peak    35 spectrum    1 weight  0.10000E+01 volume  0.23738E-02 ppm1      1.569 ppm2      0.257 CV     1
 ASSI {   36}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HB  ))
      2.200     0.600     0.600 peak    36 spectrum    1 weight  0.10000E+01 volume  0.71408E-02 ppm1      4.441 ppm2      4.723 CV     1
 ASSI {   37}
   (( segid "    " and resid 3    and name HA  ))
   (  segid "    " and resid 3    and name HG2%)
      2.400     0.700     0.700 peak    37 spectrum    1 weight  0.10000E+01 volume  0.74707E-02 ppm1      4.442 ppm2      1.360 CV     1
 ASSI {   38}
   (( segid "    " and resid 3    and name HA  ))
   (  segid "    " and resid 77   and name HD2%)
      2.900     1.000     1.000 peak    38 spectrum    1 weight  0.10000E+01 volume  0.15037E-02 ppm1      4.441 ppm2      0.822 CV     1
 OR {   38}
   (( segid "    " and resid 3    and name HA  ))
   (  segid "    " and resid 77   and name HD1%)
 ASSI {   40}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HN  ))
      2.600     0.800     0.800 peak    40 spectrum    1 weight  0.10000E+01 volume  0.19710E-02 ppm1      4.440 ppm2      8.533 CV     1
 ASSI {   41}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 4    and name HN  ))
      2.400     0.700     0.700 peak    41 spectrum    1 weight  0.10000E+01 volume  0.56178E-02 ppm1      4.441 ppm2      9.233 CV     1
 ASSI {   43}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 2    and name HA  ))
      3.300     1.400     1.400 peak    43 spectrum    1 weight  0.10000E+01 volume  0.11697E-02 ppm1      1.363 ppm2      4.826 CV     1
 ASSI {   44}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 3    and name HB  ))
      2.200     0.600     0.600 peak    44 spectrum    1 weight  0.10000E+01 volume  0.71374E-02 ppm1      1.364 ppm2      4.722 CV     1
 ASSI {   46}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 3    and name HN  ))
      2.400     0.700     0.700 peak    46 spectrum    1 weight  0.10000E+01 volume  0.50406E-02 ppm1      1.365 ppm2      8.539 CV     1
 ASSI {   47}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 4    and name HN  ))
      4.500     2.500     1.500 peak    47 spectrum    1 weight  0.10000E+01 volume  0.12244E-02 ppm1      1.365 ppm2      9.234 CV     1
 ASSI {   50}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 4    and name HB1 ))
      4.700     2.800     1.300 peak    50 spectrum    1 weight  0.10000E+01 volume  0.74686E-03 ppm1      4.441 ppm2      2.176 CV     1
 ASSI {   51}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 4    and name HB2 ))
      4.700     2.700     1.300 peak    51 spectrum    1 weight  0.10000E+01 volume  0.49226E-03 ppm1      4.439 ppm2      2.041 CV     1
 ASSI {   52}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HN  ))
      2.700     0.900     0.900 peak    52 spectrum    1 weight  0.10000E+01 volume  0.19328E-02 ppm1      3.707 ppm2      9.234 CV     1
 ASSI {   53}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 5    and name HN  ))
      3.500     1.500     1.500 peak    53 spectrum    1 weight  0.10000E+01 volume  0.85499E-03 ppm1      3.705 ppm2      8.868 CV     1
 ASSI {   54}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 7    and name HN  ))
      2.800     1.000     1.000 peak    54 spectrum    1 weight  0.10000E+01 volume  0.16245E-02 ppm1      3.706 ppm2      8.392 CV     1
 ASSI {   55}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 4    and name HN  ))
      2.600     0.800     0.800 peak    55 spectrum    1 weight  0.10000E+01 volume  0.17237E-02 ppm1      2.184 ppm2      9.233 CV     1
 ASSI {   57}
   (( segid "    " and resid 4    and name HG1 ))
   (( segid "    " and resid 4    and name HN  ))
      4.800     2.800     1.200 peak    57 spectrum    1 weight  0.10000E+01 volume  0.60005E-03 ppm1      2.243 ppm2      9.229 CV     1
 ASSI {   58}
   (( segid "    " and resid 4    and name HG2 ))
   (( segid "    " and resid 4    and name HN  ))
      4.300     2.300     1.700 peak    58 spectrum    1 weight  0.10000E+01 volume  0.68046E-03 ppm1      2.162 ppm2      9.236 CV     1
 ASSI {   59}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 5    and name HN  ))
      2.900     1.100     1.100 peak    59 spectrum    1 weight  0.10000E+01 volume  0.10329E-02 ppm1      2.179 ppm2      8.861 CV     1
 ASSI {   60}
   (( segid "    " and resid 4    and name HG2 ))
   (( segid "    " and resid 4    and name HE22))
      4.500     2.500     1.500 peak    60 spectrum    1 weight  0.10000E+01 volume  0.54190E-03 ppm1      2.162 ppm2      7.506 CV     1
 ASSI {   61}
   (( segid "    " and resid 4    and name HG1 ))
   (( segid "    " and resid 4    and name HE22))
      4.900     3.000     1.100 peak    61 spectrum    1 weight  0.10000E+01 volume  0.44141E-03 ppm1      2.234 ppm2      7.505 CV     1
 ASSI {   62}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 3    and name HA  ))
      3.900     1.900     1.900 peak    62 spectrum    1 weight  0.10000E+01 volume  0.57920E-03 ppm1      3.697 ppm2      4.438 CV     1
 ASSI {   63}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HB1 ))
      2.300     0.700     0.700 peak    63 spectrum    1 weight  0.10000E+01 volume  0.70671E-02 ppm1      3.706 ppm2      2.179 CV     1
 OR {   63}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HG2 ))
 ASSI {   64}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HB2 ))
      2.400     0.700     0.700 peak    64 spectrum    1 weight  0.10000E+01 volume  0.27756E-02 ppm1      3.706 ppm2      2.040 CV     1
 ASSI {   66}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 2    and name HB% )
      4.200     2.200     1.800 peak    66 spectrum    1 weight  0.10000E+01 volume  0.68293E-03 ppm1      3.706 ppm2      1.573 CV     1
 ASSI {   67}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 73   and name HG2%)
      2.600     0.800     0.800 peak    67 spectrum    1 weight  0.10000E+01 volume  0.24665E-02 ppm1      3.706 ppm2      1.106 CV     1
 ASSI {   69}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 7    and name HD1%)
      2.700     0.900     0.900 peak    69 spectrum    1 weight  0.10000E+01 volume  0.39244E-02 ppm1      3.706 ppm2      0.529 CV     1
 OR {   69}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 7    and name HG2%)
 ASSI {   70}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 4    and name HA  ))
      3.100     1.200     1.200 peak    70 spectrum    1 weight  0.10000E+01 volume  0.21242E-02 ppm1      2.185 ppm2      3.700 CV     1
 ASSI {   77}
   (( segid "    " and resid 4    and name HG1 ))
   (  segid "    " and resid 73   and name HG2%)
      2.700     0.900     0.900 peak    77 spectrum    1 weight  0.10000E+01 volume  0.22328E-02 ppm1      2.235 ppm2      1.105 CV     1
 ASSI {   78}
   (( segid "    " and resid 4    and name HG2 ))
   (  segid "    " and resid 73   and name HG2%)
      2.900     1.100     1.100 peak    78 spectrum    1 weight  0.10000E+01 volume  0.19074E-02 ppm1      2.165 ppm2      1.099 CV     1
 ASSI {   79}
   (( segid "    " and resid 5    and name HG1 ))
   (( segid "    " and resid 5    and name HN  ))
      4.200     2.200     1.800 peak    79 spectrum    1 weight  0.10000E+01 volume  0.78712E-03 ppm1      2.488 ppm2      8.864 CV     1
 ASSI {   80}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HN  ))
      2.600     0.900     0.900 peak    80 spectrum    1 weight  0.10000E+01 volume  0.32867E-02 ppm1      3.936 ppm2      8.864 CV     1
 ASSI {   82}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 6    and name HN  ))
      3.100     1.200     1.200 peak    82 spectrum    1 weight  0.10000E+01 volume  0.13979E-02 ppm1      3.939 ppm2      7.703 CV     1
 ASSI {   83}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HG1 ))
      3.200     1.300     1.300 peak    83 spectrum    1 weight  0.10000E+01 volume  0.16060E-02 ppm1      3.936 ppm2      2.494 CV     1
 ASSI {   84}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HG2 ))
      2.700     0.900     0.900 peak    84 spectrum    1 weight  0.10000E+01 volume  0.43252E-02 ppm1      3.937 ppm2      2.317 CV     1
 ASSI {   85}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 4    and name HG2 ))
      3.700     1.800     1.800 peak    85 spectrum    1 weight  0.10000E+01 volume  0.91714E-03 ppm1      3.934 ppm2      2.204 CV     1
 OR {   85}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 4    and name HG1 ))
 OR {   85}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 4    and name HB1 ))
 ASSI {   86}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HB2 ))
      2.400     0.700     0.700 peak    86 spectrum    1 weight  0.10000E+01 volume  0.69707E-02 ppm1      3.936 ppm2      1.991 CV     1
 ASSI {   87}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HB1 ))
      2.600     0.900     0.900 peak    87 spectrum    1 weight  0.10000E+01 volume  0.45502E-02 ppm1      3.935 ppm2      2.095 CV     1
 ASSI {   88}
   (( segid "    " and resid 5    and name HA  ))
   (  segid "    " and resid 8    and name HG2%)
      3.300     1.400     1.400 peak    88 spectrum    1 weight  0.10000E+01 volume  0.19010E-02 ppm1      3.937 ppm2      1.042 CV     1
 ASSI {   94}
   (( segid "    " and resid 5    and name HG1 ))
   (( segid "    " and resid 5    and name HB1 ))
      2.800     1.000     1.000 peak    94 spectrum    1 weight  0.10000E+01 volume  0.41238E-02 ppm1      2.490 ppm2      2.089 CV     1
 ASSI {   95}
   (( segid "    " and resid 5    and name HG1 ))
   (( segid "    " and resid 5    and name HB2 ))
      2.600     0.800     0.800 peak    95 spectrum    1 weight  0.10000E+01 volume  0.34140E-02 ppm1      2.489 ppm2      1.977 CV     1
 ASSI {   96}
   (( segid "    " and resid 5    and name HG2 ))
   (( segid "    " and resid 5    and name HB2 ))
      2.900     1.000     1.000 peak    96 spectrum    1 weight  0.10000E+01 volume  0.33197E-02 ppm1      2.327 ppm2      1.974 CV     1
 ASSI {   98}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 6    and name HN  ))
      2.200     0.600     0.600 peak    98 spectrum    1 weight  0.10000E+01 volume  0.35367E-02 ppm1      2.116 ppm2      7.696 CV     1
 ASSI {   99}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HN  ))
      2.400     0.700     0.700 peak    99 spectrum    1 weight  0.10000E+01 volume  0.59228E-02 ppm1      4.132 ppm2      7.704 CV     1
 ASSI {  101}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 3    and name HN  ))
      2.200     0.600     0.600 peak   101 spectrum    1 weight  0.10000E+01 volume  0.12888E-02 ppm1      2.113 ppm2      8.537 CV     1
 ASSI {  103}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 7    and name HN  ))
      2.800     1.000     1.000 peak   103 spectrum    1 weight  0.10000E+01 volume  0.99311E-03 ppm1      2.115 ppm2      8.396 CV     1
 ASSI {  104}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 7    and name HN  ))
      3.200     1.300     1.300 peak   104 spectrum    1 weight  0.10000E+01 volume  0.14892E-02 ppm1      4.142 ppm2      8.395 CV     1
 ASSI {  105}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 6    and name HA  ))
      2.600     0.900     0.900 peak   105 spectrum    1 weight  0.10000E+01 volume  0.50787E-02 ppm1      2.114 ppm2      4.155 CV     1
 ASSI {  109}
   (( segid "    " and resid 6    and name HG2 ))
   (( segid "    " and resid 6    and name HN  ))
      3.200     1.300     1.300 peak   109 spectrum    1 weight  0.10000E+01 volume  0.15740E-02 ppm1      2.379 ppm2      7.696 CV     1
 ASSI {  113}
   (( segid "    " and resid 6    and name HG2 ))
   (( segid "    " and resid 6    and name HA  ))
      2.900     1.000     1.000 peak   113 spectrum    1 weight  0.10000E+01 volume  0.20895E-02 ppm1      2.378 ppm2      4.136 CV     1
 ASSI {  114}
   (( segid "    " and resid 6    and name HG1 ))
   (( segid "    " and resid 6    and name HA  ))
      3.400     1.400     1.400 peak   114 spectrum    1 weight  0.10000E+01 volume  0.21274E-02 ppm1      2.432 ppm2      4.134 CV     1
 ASSI {  115}
   (( segid "    " and resid 6    and name HG1 ))
   (( segid "    " and resid 6    and name HN  ))
      3.200     1.300     1.300 peak   115 spectrum    1 weight  0.10000E+01 volume  0.13701E-02 ppm1      2.433 ppm2      7.696 CV     1
 ASSI {  116}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HB  ))
      2.800     1.000     1.000 peak   116 spectrum    1 weight  0.10000E+01 volume  0.19909E-02 ppm1      3.890 ppm2      1.790 CV     1
 ASSI {  117}
   (( segid "    " and resid 7    and name HG11))
   (( segid "    " and resid 7    and name HN  ))
      2.300     0.600     0.600 peak   117 spectrum    1 weight  0.10000E+01 volume  0.28103E-02 ppm1      1.545 ppm2      8.393 CV     1
 ASSI {  118}
   (( segid "    " and resid 7    and name HG12))
   (( segid "    " and resid 7    and name HN  ))
      3.900     1.900     1.900 peak   118 spectrum    1 weight  0.10000E+01 volume  0.12721E-02 ppm1      0.259 ppm2      8.389 CV     1
 ASSI {  119}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 7    and name HN  ))
      2.100     0.600     0.600 peak   119 spectrum    1 weight  0.10000E+01 volume  0.62964E-02 ppm1      1.792 ppm2      8.391 CV     1
 ASSI {  120}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HN  ))
      2.400     0.700     0.700 peak   120 spectrum    1 weight  0.10000E+01 volume  0.40411E-02 ppm1      3.892 ppm2      8.393 CV     1
 ASSI {  121}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 54   and name HZ  ))
      2.600     0.900     0.900 peak   121 spectrum    1 weight  0.10000E+01 volume  0.28334E-02 ppm1      3.891 ppm2      7.460 CV     1
 OR {  121}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 54   and name HD% )
 ASSI {  122}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 54   and name HE% )
      2.500     0.800     0.800 peak   122 spectrum    1 weight  0.10000E+01 volume  0.28024E-02 ppm1      3.891 ppm2      7.131 CV     1
 ASSI {  123}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HG11))
      2.600     0.900     0.900 peak   123 spectrum    1 weight  0.10000E+01 volume  0.35114E-02 ppm1      3.892 ppm2      1.544 CV     1
 ASSI {  124}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 7    and name HG2%)
      2.400     0.700     0.700 peak   124 spectrum    1 weight  0.10000E+01 volume  0.59556E-02 ppm1      3.893 ppm2      0.546 CV     1
 OR {  124}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 7    and name HD1%)
 ASSI {  125}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HG12))
      2.400     0.700     0.700 peak   125 spectrum    1 weight  0.10000E+01 volume  0.27419E-02 ppm1      3.893 ppm2      0.258 CV     1
 ASSI {  129}
   (( segid "    " and resid 76   and name HB  ))
   (  segid "    " and resid 76   and name HG2%)
      1.800     0.400     0.400 peak   129 spectrum    1 weight  0.10000E+01 volume  0.12747E-01 ppm1      1.786 ppm2      0.539 CV     1
 ASSI {  132}
   (( segid "    " and resid 7    and name HG11))
   (  segid "    " and resid 7    and name HD1%)
      2.200     0.600     0.600 peak   132 spectrum    1 weight  0.10000E+01 volume  0.63935E-02 ppm1      1.544 ppm2      0.531 CV     1
 OR {  132}
   (( segid "    " and resid 7    and name HG11))
   (  segid "    " and resid 7    and name HG2%)
 ASSI {  134}
   (( segid "    " and resid 7    and name HG12))
   (  segid "    " and resid 7    and name HD1%)
      2.100     0.600     0.600 peak   134 spectrum    1 weight  0.10000E+01 volume  0.65359E-02 ppm1      0.266 ppm2      0.533 CV     1
 OR {  134}
   (( segid "    " and resid 7    and name HG12))
   (  segid "    " and resid 7    and name HG2%)
 ASSI {  136}
   (( segid "    " and resid 7    and name HG12))
   (( segid "    " and resid 7    and name HB  ))
      3.300     1.400     1.400 peak   136 spectrum    1 weight  0.10000E+01 volume  0.10490E-02 ppm1      0.266 ppm2      1.791 CV     1
 ASSI {  137}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 7    and name HA  ))
      2.500     0.800     0.800 peak   137 spectrum    1 weight  0.10000E+01 volume  0.37483E-02 ppm1      0.562 ppm2      3.894 CV     1
 ASSI {  138}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 7    and name HA  ))
      3.300     1.400     1.400 peak   138 spectrum    1 weight  0.10000E+01 volume  0.42796E-02 ppm1      0.529 ppm2      3.892 CV     1
 ASSI {  140}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 7    and name HN  ))
      3.500     1.500     1.500 peak   140 spectrum    1 weight  0.10000E+01 volume  0.22284E-02 ppm1      0.528 ppm2      8.391 CV     1
 ASSI {  143}
   (  segid "    " and resid 7    and name HD1%)
   (  segid "    " and resid 54   and name HD% )
      4.600     2.700     1.400 peak   143 spectrum    1 weight  0.10000E+01 volume  0.60308E-03 ppm1      0.527 ppm2      7.461 CV     1
 OR {  143}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 54   and name HZ  ))
 ASSI {  145}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 7    and name HN  ))
      3.600     1.600     1.600 peak   145 spectrum    1 weight  0.10000E+01 volume  0.23045E-02 ppm1      0.561 ppm2      8.392 CV     1
 ASSI {  146}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 54   and name HZ  ))
      3.300     1.400     1.400 peak   146 spectrum    1 weight  0.10000E+01 volume  0.92107E-03 ppm1      0.562 ppm2      7.464 CV     1
 OR {  146}
   (  segid "    " and resid 7    and name HG2%)
   (  segid "    " and resid 54   and name HD% )
 ASSI {  147}
   (  segid "    " and resid 7    and name HG2%)
   (  segid "    " and resid 54   and name HE% )
      3.800     1.800     1.800 peak   147 spectrum    1 weight  0.10000E+01 volume  0.82680E-03 ppm1      0.563 ppm2      7.126 CV     1
 ASSI {  148}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      3.500     1.500     1.500 peak   148 spectrum    1 weight  0.10000E+01 volume  0.65677E-03 ppm1      3.893 ppm2      9.240 CV     1
 ASSI {  149}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 4    and name HA  ))
      2.500     0.800     0.800 peak   149 spectrum    1 weight  0.10000E+01 volume  0.37059E-02 ppm1      0.528 ppm2      3.699 CV     1
 ASSI {  150}
   (  segid "    " and resid 7    and name HD1%)
   (  segid "    " and resid 73   and name HG2%)
      2.800     0.900     0.900 peak   150 spectrum    1 weight  0.10000E+01 volume  0.22125E-02 ppm1      0.528 ppm2      1.108 CV     1
 ASSI {  151}
   (  segid "    " and resid 7    and name HG2%)
   (  segid "    " and resid 73   and name HG2%)
      3.000     1.200     1.200 peak   151 spectrum    1 weight  0.10000E+01 volume  0.45200E-02 ppm1      0.562 ppm2      1.111 CV     1
 ASSI {  152}
   (  segid "    " and resid 7    and name HD1%)
   (  segid "    " and resid 77   and name HD2%)
      2.400     0.700     0.700 peak   152 spectrum    1 weight  0.10000E+01 volume  0.58529E-02 ppm1      0.528 ppm2      0.820 CV     1
 OR {  152}
   (  segid "    " and resid 7    and name HD1%)
   (  segid "    " and resid 77   and name HD1%)
 ASSI {  155}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 7    and name HG12))
      2.500     0.800     0.800 peak   155 spectrum    1 weight  0.10000E+01 volume  0.27319E-02 ppm1      0.562 ppm2      0.266 CV     1
 ASSI {  156}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 7    and name HG12))
      2.000     0.500     0.500 peak   156 spectrum    1 weight  0.10000E+01 volume  0.77685E-02 ppm1      0.528 ppm2      0.256 CV     1
 ASSI {  157}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 7    and name HB  ))
      2.200     0.600     0.600 peak   157 spectrum    1 weight  0.10000E+01 volume  0.71008E-02 ppm1      0.529 ppm2      1.780 CV     1
 ASSI {  158}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 7    and name HG11))
      2.000     0.500     0.500 peak   158 spectrum    1 weight  0.10000E+01 volume  0.96174E-02 ppm1      0.530 ppm2      1.550 CV     1
 ASSI {  159}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 6    and name HB2 ))
      2.800     2.800     3.200 peak   159 spectrum    1 weight  0.10000E+01 volume  0.65608E-03 ppm1      0.562 ppm2      2.130 CV     1
 ASSI {  161}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 7    and name HB  ))
      2.100     0.500     0.500 peak   161 spectrum    1 weight  0.10000E+01 volume  0.73293E-02 ppm1      0.562 ppm2      1.781 CV     1
 ASSI {  162}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 7    and name HG11))
      3.500     1.500     1.500 peak   162 spectrum    1 weight  0.10000E+01 volume  0.20123E-02 ppm1      0.561 ppm2      1.546 CV     1
 ASSI {  167}
   (( segid "    " and resid 8    and name HB  ))
   (( segid "    " and resid 8    and name HN  ))
      2.300     0.600     0.600 peak   167 spectrum    1 weight  0.10000E+01 volume  0.48059E-02 ppm1      2.024 ppm2      8.390 CV     1
 ASSI {  168}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      2.500     0.800     0.800 peak   168 spectrum    1 weight  0.10000E+01 volume  0.36850E-02 ppm1      3.394 ppm2      8.390 CV     1
 ASSI {  169}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 8    and name HN  ))
      2.000     0.500     0.500 peak   169 spectrum    1 weight  0.10000E+01 volume  0.73131E-02 ppm1      1.047 ppm2      8.389 CV     1
 ASSI {  172}
   (  segid "    " and resid 8    and name HG1%)
   (( segid "    " and resid 8    and name HN  ))
      3.800     1.800     1.800 peak   172 spectrum    1 weight  0.10000E+01 volume  0.20651E-02 ppm1      0.903 ppm2      8.392 CV     1
 ASSI {  173}
   (  segid "    " and resid 8    and name HG1%)
   (( segid "    " and resid 9    and name HN  ))
      3.200     1.300     1.300 peak   173 spectrum    1 weight  0.10000E+01 volume  0.21087E-02 ppm1      0.904 ppm2      7.721 CV     1
 ASSI {  174}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 9    and name HN  ))
      4.400     2.400     1.600 peak   174 spectrum    1 weight  0.10000E+01 volume  0.10081E-02 ppm1      1.045 ppm2      7.730 CV     1
 ASSI {  175}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 4    and name HE22))
      4.500     2.600     1.500 peak   175 spectrum    1 weight  0.10000E+01 volume  0.61778E-03 ppm1      1.043 ppm2      7.519 CV     1
 ASSI {  176}
   (( segid "    " and resid 8    and name HB  ))
   (( segid "    " and resid 9    and name HN  ))
      2.300     0.600     0.600 peak   176 spectrum    1 weight  0.10000E+01 volume  0.31805E-02 ppm1      2.028 ppm2      7.727 CV     1
 ASSI {  177}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      3.400     1.400     1.400 peak   177 spectrum    1 weight  0.10000E+01 volume  0.11161E-02 ppm1      3.394 ppm2      9.249 CV     1
 ASSI {  178}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      4.000     2.000     2.000 peak   178 spectrum    1 weight  0.10000E+01 volume  0.63404E-03 ppm1      3.394 ppm2      8.909 CV     1
 ASSI {  179}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      3.400     1.400     1.400 peak   179 spectrum    1 weight  0.10000E+01 volume  0.12806E-02 ppm1      3.393 ppm2      7.731 CV     1
 ASSI {  181}
   (  segid "    " and resid 8    and name HG1%)
   (( segid "    " and resid 9    and name HA  ))
      3.300     1.300     1.300 peak   181 spectrum    1 weight  0.10000E+01 volume  0.12936E-02 ppm1      0.905 ppm2      4.226 CV     1
 ASSI {  182}
   (  segid "    " and resid 8    and name HG1%)
   (( segid "    " and resid 27   and name HA  ))
      3.300     1.300     1.300 peak   182 spectrum    1 weight  0.10000E+01 volume  0.71733E-03 ppm1      0.903 ppm2      4.638 CV     1
 ASSI {  187}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 28   and name HA  ))
      4.300     2.300     1.700 peak   187 spectrum    1 weight  0.10000E+01 volume  0.45390E-03 ppm1      1.046 ppm2      3.576 CV     1
 ASSI {  189}
   (( segid "    " and resid 8    and name HB  ))
   (( segid "    " and resid 5    and name HA  ))
      2.700     0.900     0.900 peak   189 spectrum    1 weight  0.10000E+01 volume  0.22269E-02 ppm1      2.024 ppm2      3.937 CV     1
 ASSI {  190}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 8    and name HA  ))
      2.300     0.700     0.700 peak   190 spectrum    1 weight  0.10000E+01 volume  0.56727E-02 ppm1      1.048 ppm2      3.389 CV     1
 ASSI {  192}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HB  ))
      2.700     0.900     0.900 peak   192 spectrum    1 weight  0.10000E+01 volume  0.30858E-02 ppm1      3.393 ppm2      2.014 CV     1
 ASSI {  194}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
      2.800     1.000     1.000 peak   194 spectrum    1 weight  0.10000E+01 volume  0.11221E-02 ppm1      3.393 ppm2      1.286 CV     1
 ASSI {  196}
   (( segid "    " and resid 8    and name HA  ))
   (  segid "    " and resid 8    and name HG1%)
      2.300     0.700     0.700 peak   196 spectrum    1 weight  0.10000E+01 volume  0.69323E-02 ppm1      3.392 ppm2      0.895 CV     1
 ASSI {  198}
   (( segid "    " and resid 8    and name HA  ))
   (  segid "    " and resid 69   and name HG2%)
      3.500     1.500     1.500 peak   198 spectrum    1 weight  0.10000E+01 volume  0.12703E-02 ppm1      3.391 ppm2      0.655 CV     1
 ASSI {  199}
   (( segid "    " and resid 8    and name HA  ))
   (  segid "    " and resid 7    and name HG2%)
      3.100     1.200     1.200 peak   199 spectrum    1 weight  0.10000E+01 volume  0.11681E-02 ppm1      3.393 ppm2      0.552 CV     1
 ASSI {  200}
   (( segid "    " and resid 8    and name HB  ))
   (  segid "    " and resid 8    and name HG1%)
      2.200     0.600     0.600 peak   200 spectrum    1 weight  0.10000E+01 volume  0.68567E-02 ppm1      2.024 ppm2      0.903 CV     1
 ASSI {  205}
   (  segid "    " and resid 8    and name HG2%)
   (  segid "    " and resid 7    and name HG2%)
      3.600     1.600     1.600 peak   205 spectrum    1 weight  0.10000E+01 volume  0.13805E-02 ppm1      1.047 ppm2      0.546 CV     1
 OR {  205}
   (  segid "    " and resid 8    and name HG2%)
   (  segid "    " and resid 7    and name HD1%)
 ASSI {  206}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 8    and name HB  ))
      2.100     0.500     0.500 peak   206 spectrum    1 weight  0.10000E+01 volume  0.69641E-02 ppm1      1.046 ppm2      2.021 CV     1
 ASSI {  207}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 7    and name HB  ))
      3.100     1.200     1.200 peak   207 spectrum    1 weight  0.10000E+01 volume  0.25148E-02 ppm1      1.048 ppm2      1.779 CV     1
 ASSI {  208}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 4    and name HG1 ))
      3.400     1.400     1.400 peak   208 spectrum    1 weight  0.10000E+01 volume  0.20194E-02 ppm1      1.045 ppm2      2.226 CV     1
 OR {  208}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 4    and name HB1 ))
 ASSI {  209}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 4    and name HG2 ))
      2.600     0.900     0.900 peak   209 spectrum    1 weight  0.10000E+01 volume  0.18070E-02 ppm1      1.046 ppm2      2.187 CV     1
 OR {  209}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 4    and name HB1 ))
 ASSI {  210}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      2.600     0.800     0.800 peak   210 spectrum    1 weight  0.10000E+01 volume  0.41257E-02 ppm1      4.227 ppm2      7.727 CV     1
 ASSI {  212}
   (  segid "    " and resid 9    and name HB% )
   (( segid "    " and resid 9    and name HN  ))
      2.200     0.600     0.600 peak   212 spectrum    1 weight  0.10000E+01 volume  0.99677E-02 ppm1      1.521 ppm2      7.729 CV     1
 ASSI {  214}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      4.000     2.000     2.000 peak   214 spectrum    1 weight  0.10000E+01 volume  0.12825E-02 ppm1      4.226 ppm2      8.397 CV     1
 ASSI {  215}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      3.200     1.300     1.300 peak   215 spectrum    1 weight  0.10000E+01 volume  0.11103E-02 ppm1      4.229 ppm2      8.908 CV     1
 ASSI {  216}
   (  segid "    " and resid 9    and name HB% )
   (( segid "    " and resid 8    and name HN  ))
      3.300     1.300     1.300 peak   216 spectrum    1 weight  0.10000E+01 volume  0.47369E-02 ppm1      1.521 ppm2      8.394 CV     1
 ASSI {  218}
   (  segid "    " and resid 9    and name HB% )
   (( segid "    " and resid 6    and name HA  ))
      2.600     0.800     0.800 peak   218 spectrum    1 weight  0.10000E+01 volume  0.47709E-02 ppm1      1.521 ppm2      4.142 CV     1
 ASSI {  219}
   (( segid "    " and resid 9    and name HA  ))
   (  segid "    " and resid 12   and name HB% )
      2.500     0.800     0.800 peak   219 spectrum    1 weight  0.10000E+01 volume  0.49155E-02 ppm1      4.224 ppm2      1.682 CV     1
 ASSI {  220}
   (( segid "    " and resid 9    and name HA  ))
   (  segid "    " and resid 9    and name HB% )
      2.000     0.500     0.500 peak   220 spectrum    1 weight  0.10000E+01 volume  0.19602E-01 ppm1      4.231 ppm2      1.521 CV     1
 ASSI {  222}
   (( segid "    " and resid 10   and name HA1 ))
   (( segid "    " and resid 10   and name HN  ))
      2.400     0.700     0.700 peak   222 spectrum    1 weight  0.10000E+01 volume  0.37137E-02 ppm1      4.065 ppm2      8.394 CV     1
 ASSI {  223}
   (( segid "    " and resid 10   and name HA2 ))
   (( segid "    " and resid 10   and name HN  ))
      2.900     1.000     1.000 peak   223 spectrum    1 weight  0.10000E+01 volume  0.41039E-02 ppm1      3.875 ppm2      8.395 CV     1
 ASSI {  224}
   (( segid "    " and resid 10   and name HA1 ))
   (( segid "    " and resid 11   and name HN  ))
      3.100     1.200     1.200 peak   224 spectrum    1 weight  0.10000E+01 volume  0.11066E-02 ppm1      4.067 ppm2      9.241 CV     1
 ASSI {  226}
   (( segid "    " and resid 10   and name HA1 ))
   (( segid "    " and resid 13   and name HN  ))
      4.300     2.300     1.700 peak   226 spectrum    1 weight  0.10000E+01 volume  0.69726E-03 ppm1      4.055 ppm2      7.947 CV     1
 ASSI {  228}
   (( segid "    " and resid 10   and name HA1 ))
   (( segid "    " and resid 54   and name HZ  ))
      3.300     1.300     1.300 peak   228 spectrum    1 weight  0.10000E+01 volume  0.12151E-02 ppm1      4.066 ppm2      7.456 CV     1
 OR {  228}
   (( segid "    " and resid 10   and name HA1 ))
   (  segid "    " and resid 54   and name HD% )
 ASSI {  229}
   (( segid "    " and resid 10   and name HA2 ))
   (( segid "    " and resid 54   and name HZ  ))
      4.000     2.000     2.000 peak   229 spectrum    1 weight  0.10000E+01 volume  0.17165E-02 ppm1      3.871 ppm2      7.459 CV     1
 OR {  229}
   (( segid "    " and resid 10   and name HA2 ))
   (  segid "    " and resid 54   and name HD% )
 ASSI {  230}
   (( segid "    " and resid 10   and name HA1 ))
   (  segid "    " and resid 54   and name HE% )
      3.300     1.400     1.400 peak   230 spectrum    1 weight  0.10000E+01 volume  0.56718E-03 ppm1      4.062 ppm2      7.117 CV     1
 ASSI {  231}
   (( segid "    " and resid 10   and name HA2 ))
   (  segid "    " and resid 54   and name HE% )
      4.500     2.600     1.500 peak   231 spectrum    1 weight  0.10000E+01 volume  0.72398E-03 ppm1      3.881 ppm2      7.128 CV     1
 ASSI {  232}
   (( segid "    " and resid 10   and name HA1 ))
   (( segid "    " and resid 13   and name HG2 ))
      4.700     2.800     1.300 peak   232 spectrum    1 weight  0.10000E+01 volume  0.94426E-03 ppm1      4.055 ppm2      2.292 CV     1
 OR {  232}
   (( segid "    " and resid 10   and name HA1 ))
   (( segid "    " and resid 13   and name HB1 ))
 ASSI {  233}
   (( segid "    " and resid 10   and name HA2 ))
   (( segid "    " and resid 13   and name HG2 ))
      3.700     1.700     1.700 peak   233 spectrum    1 weight  0.10000E+01 volume  0.79046E-03 ppm1      3.878 ppm2      2.300 CV     1
 OR {  233}
   (( segid "    " and resid 10   and name HA2 ))
   (( segid "    " and resid 13   and name HB1 ))
 ASSI {  234}
   (( segid "    " and resid 10   and name HA1 ))
   (  segid "    " and resid 9    and name HB% )
      4.400     2.400     1.600 peak   234 spectrum    1 weight  0.10000E+01 volume  0.71730E-03 ppm1      4.066 ppm2      1.528 CV     1
 ASSI {  238}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 12   and name HN  ))
      2.700     0.900     0.900 peak   238 spectrum    1 weight  0.10000E+01 volume  0.17395E-02 ppm1      2.122 ppm2      8.907 CV     1
 ASSI {  244}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 8    and name HA  ))
      3.400     1.500     1.500 peak   244 spectrum    1 weight  0.10000E+01 volume  0.18512E-02 ppm1      2.122 ppm2      3.388 CV     1
 ASSI {  247}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HB1 ))
      2.300     0.700     0.700 peak   247 spectrum    1 weight  0.10000E+01 volume  0.58575E-02 ppm1      4.257 ppm2      2.106 CV     1
 ASSI {  248}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HG  ))
      2.700     0.900     0.900 peak   248 spectrum    1 weight  0.10000E+01 volume  0.21063E-02 ppm1      4.256 ppm2      1.988 CV     1
 ASSI {  250}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 11   and name HD2%)
      2.200     0.600     0.600 peak   250 spectrum    1 weight  0.10000E+01 volume  0.99083E-02 ppm1      4.262 ppm2      0.886 CV     1
 OR {  250}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 11   and name HD1%)
 ASSI {  252}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
      2.600     0.800     0.800 peak   252 spectrum    1 weight  0.10000E+01 volume  0.29890E-02 ppm1      4.258 ppm2      1.273 CV     1
 ASSI {  255}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      3.700     1.700     1.700 peak   255 spectrum    1 weight  0.10000E+01 volume  0.65902E-03 ppm1      4.256 ppm2      8.794 CV     1
 ASSI {  257}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HG  ))
      2.500     0.800     0.800 peak   257 spectrum    1 weight  0.10000E+01 volume  0.20420E-02 ppm1      1.289 ppm2      1.995 CV     1
 ASSI {  258}
   (( segid "    " and resid 11   and name HB1 ))
   (  segid "    " and resid 11   and name HD1%)
      2.400     0.700     0.700 peak   258 spectrum    1 weight  0.10000E+01 volume  0.40508E-02 ppm1      2.121 ppm2      0.864 CV     1
 OR {  258}
   (( segid "    " and resid 11   and name HB1 ))
   (  segid "    " and resid 11   and name HD2%)
 ASSI {  260}
   (( segid "    " and resid 11   and name HG  ))
   (  segid "    " and resid 11   and name HD1%)
      1.900     0.500     0.500 peak   260 spectrum    1 weight  0.10000E+01 volume  0.13599E-01 ppm1      1.991 ppm2      0.859 CV     1
 OR {  260}
   (( segid "    " and resid 11   and name HG  ))
   (  segid "    " and resid 11   and name HD2%)
 ASSI {  261}
   (( segid "    " and resid 11   and name HG  ))
   (  segid "    " and resid 7    and name HG2%)
      3.200     1.300     1.300 peak   261 spectrum    1 weight  0.10000E+01 volume  0.10810E-02 ppm1      1.991 ppm2      0.560 CV     1
 OR {  261}
   (( segid "    " and resid 11   and name HG  ))
   (  segid "    " and resid 7    and name HD1%)
 ASSI {  265}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 53   and name HN  ))
      4.300     2.300     1.700 peak   265 spectrum    1 weight  0.10000E+01 volume  0.94841E-03 ppm1      0.863 ppm2      8.201 CV     1
 ASSI {  268}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 32   and name HZ  ))
      2.900     1.100     1.100 peak   268 spectrum    1 weight  0.10000E+01 volume  0.11056E-02 ppm1      0.855 ppm2      6.852 CV     1
 ASSI {  270}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 11   and name HA  ))
      4.000     2.000     2.000 peak   270 spectrum    1 weight  0.10000E+01 volume  0.11441E-02 ppm1      0.859 ppm2      4.243 CV     1
 ASSI {  271}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 53   and name HA  ))
      2.800     1.000     1.000 peak   271 spectrum    1 weight  0.10000E+01 volume  0.22772E-02 ppm1      0.867 ppm2      3.917 CV     1
 ASSI {  272}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 8    and name HA  ))
      2.900     1.100     1.100 peak   272 spectrum    1 weight  0.10000E+01 volume  0.21625E-02 ppm1      0.858 ppm2      3.392 CV     1
 ASSI {  275}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 53   and name HD2 ))
      3.100     1.200     1.200 peak   275 spectrum    1 weight  0.10000E+01 volume  0.12550E-02 ppm1      0.869 ppm2      2.693 CV     1
 ASSI {  277}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 11   and name HG  ))
      1.900     0.500     0.500 peak   277 spectrum    1 weight  0.10000E+01 volume  0.14579E-01 ppm1      0.858 ppm2      1.988 CV     1
 ASSI {  279}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 11   and name HA  ))
      2.300     0.600     0.600 peak   279 spectrum    1 weight  0.10000E+01 volume  0.59824E-02 ppm1      0.887 ppm2      4.254 CV     1
 ASSI {  280}
   (  segid "    " and resid 11   and name HD2%)
   (  segid "    " and resid 54   and name HE% )
      3.500     1.500     1.500 peak   280 spectrum    1 weight  0.10000E+01 volume  0.18147E-02 ppm1      0.888 ppm2      7.126 CV     1
 ASSI {  281}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 11   and name HG  ))
      2.400     0.700     0.700 peak   281 spectrum    1 weight  0.10000E+01 volume  0.43280E-02 ppm1      0.889 ppm2      1.974 CV     1
 ASSI {  287}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 11   and name HN  ))
      4.000     2.000     2.000 peak   287 spectrum    1 weight  0.10000E+01 volume  0.17812E-02 ppm1      0.859 ppm2      9.239 CV     1
 ASSI {  288}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      2.700     0.900     0.900 peak   288 spectrum    1 weight  0.10000E+01 volume  0.23840E-02 ppm1      4.256 ppm2      9.240 CV     1
 ASSI {  289}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 12   and name HN  ))
      2.200     0.600     0.600 peak   289 spectrum    1 weight  0.10000E+01 volume  0.69117E-02 ppm1      1.687 ppm2      8.909 CV     1
 ASSI {  290}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      2.500     0.800     0.800 peak   290 spectrum    1 weight  0.10000E+01 volume  0.26997E-02 ppm1      4.057 ppm2      8.910 CV     1
 ASSI {  291}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      3.400     1.400     1.400 peak   291 spectrum    1 weight  0.10000E+01 volume  0.10029E-02 ppm1      4.055 ppm2      8.792 CV     1
 ASSI {  292}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 11   and name HN  ))
      4.700     2.700     1.300 peak   292 spectrum    1 weight  0.10000E+01 volume  0.43595E-03 ppm1      1.685 ppm2      9.240 CV     1
 ASSI {  293}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 13   and name HN  ))
      2.600     0.800     0.800 peak   293 spectrum    1 weight  0.10000E+01 volume  0.33641E-02 ppm1      1.688 ppm2      7.948 CV     1
 ASSI {  296}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 11   and name HA  ))
      3.300     3.300     2.700 peak   296 spectrum    1 weight  0.10000E+01 volume  0.39737E-02 ppm1      1.689 ppm2      4.226 CV     1
 ASSI {  297}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 12   and name HA  ))
      2.100     0.500     0.500 peak   297 spectrum    1 weight  0.10000E+01 volume  0.72579E-02 ppm1      1.687 ppm2      4.056 CV     1
 ASSI {  298}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 13   and name HA  ))
      3.700     1.700     1.700 peak   298 spectrum    1 weight  0.10000E+01 volume  0.81103E-03 ppm1      1.685 ppm2      3.922 CV     1
 ASSI {  299}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 15   and name HA  ))
      3.900     3.900     2.100 peak   299 spectrum    1 weight  0.10000E+01 volume  0.30870E-02 ppm1      1.689 ppm2      3.614 CV     1
 ASSI {  302}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 15   and name HB  ))
      2.200     0.600     0.600 peak   302 spectrum    1 weight  0.10000E+01 volume  0.29628E-02 ppm1      4.059 ppm2      2.258 CV     1
 ASSI {  310}
   (  segid "    " and resid 12   and name HB% )
   (  segid "    " and resid 14   and name HD1%)
      3.400     3.400     2.600 peak   310 spectrum    1 weight  0.10000E+01 volume  0.39737E-02 ppm1      1.687 ppm2      0.740 CV     1
 ASSI {  312}
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 13   and name HN  ))
      3.500     1.500     1.500 peak   312 spectrum    1 weight  0.10000E+01 volume  0.26571E-02 ppm1      2.301 ppm2      7.948 CV     1
 ASSI {  315}
   (( segid "    " and resid 13   and name HG2 ))
   (( segid "    " and resid 13   and name HN  ))
      2.900     1.000     1.000 peak   315 spectrum    1 weight  0.10000E+01 volume  0.19206E-02 ppm1      2.305 ppm2      7.946 CV     1
 ASSI {  316}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      2.700     0.900     0.900 peak   316 spectrum    1 weight  0.10000E+01 volume  0.30258E-02 ppm1      3.945 ppm2      7.946 CV     1
 ASSI {  320}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HG1 ))
      3.500     1.500     1.500 peak   320 spectrum    1 weight  0.10000E+01 volume  0.16109E-02 ppm1      3.945 ppm2      2.615 CV     1
 ASSI {  321}
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 13   and name HG1 ))
      2.700     0.900     0.900 peak   321 spectrum    1 weight  0.10000E+01 volume  0.33350E-02 ppm1      2.300 ppm2      2.611 CV     1
 ASSI {  322}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 13   and name HG1 ))
      2.600     0.800     0.800 peak   322 spectrum    1 weight  0.10000E+01 volume  0.28863E-02 ppm1      2.225 ppm2      2.609 CV     1
 ASSI {  326}
   (( segid "    " and resid 13   and name HG2 ))
   (( segid "    " and resid 13   and name HA  ))
      2.900     1.000     1.000 peak   326 spectrum    1 weight  0.10000E+01 volume  0.24171E-02 ppm1      2.305 ppm2      3.942 CV     1
 ASSI {  328}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      2.400     0.700     0.700 peak   328 spectrum    1 weight  0.10000E+01 volume  0.35248E-02 ppm1      3.821 ppm2      8.197 CV     1
 ASSI {  329}
   (( segid "    " and resid 14   and name HB  ))
   (( segid "    " and resid 14   and name HN  ))
      2.200     0.600     0.600 peak   329 spectrum    1 weight  0.10000E+01 volume  0.45986E-02 ppm1      2.103 ppm2      8.194 CV     1
 ASSI {  330}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      3.200     1.300     1.300 peak   330 spectrum    1 weight  0.10000E+01 volume  0.10398E-02 ppm1      3.822 ppm2      8.796 CV     1
 ASSI {  331}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      3.700     1.700     1.700 peak   331 spectrum    1 weight  0.10000E+01 volume  0.13511E-02 ppm1      3.822 ppm2      8.397 CV     1
 ASSI {  334}
   (( segid "    " and resid 14   and name HG12))
   (( segid "    " and resid 14   and name HN  ))
      3.800     1.800     1.800 peak   334 spectrum    1 weight  0.10000E+01 volume  0.16324E-02 ppm1      1.061 ppm2      8.195 CV     1
 ASSI {  335}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 14   and name HN  ))
      3.700     1.700     1.700 peak   335 spectrum    1 weight  0.10000E+01 volume  0.14939E-02 ppm1      1.062 ppm2      8.198 CV     1
 ASSI {  336}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 13   and name HN  ))
      4.700     2.800     1.300 peak   336 spectrum    1 weight  0.10000E+01 volume  0.71661E-03 ppm1      1.064 ppm2      7.920 CV     1
 ASSI {  337}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 15   and name HN  ))
      3.200     1.300     1.300 peak   337 spectrum    1 weight  0.10000E+01 volume  0.14406E-02 ppm1      1.064 ppm2      8.801 CV     1
 ASSI {  338}
   (( segid "    " and resid 14   and name HB  ))
   (( segid "    " and resid 11   and name HA  ))
      2.600     0.800     0.800 peak   338 spectrum    1 weight  0.10000E+01 volume  0.29263E-02 ppm1      2.103 ppm2      4.255 CV     1
 ASSI {  341}
   (( segid "    " and resid 14   and name HG12))
   (( segid "    " and resid 14   and name HA  ))
      3.400     1.500     1.500 peak   341 spectrum    1 weight  0.10000E+01 volume  0.27190E-02 ppm1      1.060 ppm2      3.821 CV     1
 ASSI {  342}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 11   and name HA  ))
      4.200     2.200     1.800 peak   342 spectrum    1 weight  0.10000E+01 volume  0.69279E-03 ppm1      1.063 ppm2      4.242 CV     1
 ASSI {  344}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 14   and name HA  ))
      2.500     0.800     0.800 peak   344 spectrum    1 weight  0.10000E+01 volume  0.34178E-02 ppm1      1.064 ppm2      3.819 CV     1
 ASSI {  345}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 15   and name HA  ))
      3.100     1.200     1.200 peak   345 spectrum    1 weight  0.10000E+01 volume  0.11854E-02 ppm1      1.065 ppm2      3.602 CV     1
 ASSI {  346}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 46   and name HA  ))
      2.200     0.600     0.600 peak   346 spectrum    1 weight  0.10000E+01 volume  0.41504E-02 ppm1      1.063 ppm2      3.431 CV     1
 ASSI {  347}
   (( segid "    " and resid 14   and name HG11))
   (  segid "    " and resid 14   and name HD1%)
      2.300     0.600     0.600 peak   347 spectrum    1 weight  0.10000E+01 volume  0.55494E-02 ppm1      1.993 ppm2      0.737 CV     1
 ASSI {  348}
   (( segid "    " and resid 14   and name HG12))
   (  segid "    " and resid 14   and name HD1%)
      2.300     0.700     0.700 peak   348 spectrum    1 weight  0.10000E+01 volume  0.46514E-02 ppm1      1.061 ppm2      0.739 CV     1
 ASSI {  350}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB  ))
      2.600     0.800     0.800 peak   350 spectrum    1 weight  0.10000E+01 volume  0.34284E-02 ppm1      3.820 ppm2      2.116 CV     1
 ASSI {  351}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HG11))
      2.200     0.600     0.600 peak   351 spectrum    1 weight  0.10000E+01 volume  0.38816E-02 ppm1      3.822 ppm2      1.988 CV     1
 ASSI {  354}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 14   and name HG2%)
      2.300     0.600     0.600 peak   354 spectrum    1 weight  0.10000E+01 volume  0.92038E-02 ppm1      3.821 ppm2      1.059 CV     1
 OR {  354}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HG12))
 ASSI {  355}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 14   and name HD1%)
      3.100     1.200     1.200 peak   355 spectrum    1 weight  0.10000E+01 volume  0.21492E-02 ppm1      3.823 ppm2      0.744 CV     1
 ASSI {  356}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 14   and name HB  ))
      2.200     0.600     0.600 peak   356 spectrum    1 weight  0.10000E+01 volume  0.41835E-02 ppm1      1.063 ppm2      2.099 CV     1
 ASSI {  357}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 14   and name HG11))
      3.000     1.100     1.100 peak   357 spectrum    1 weight  0.10000E+01 volume  0.17532E-02 ppm1      1.063 ppm2      1.983 CV     1
 ASSI {  360}
   (( segid "    " and resid 14   and name HB  ))
   (  segid "    " and resid 14   and name HG2%)
      2.100     0.600     0.600 peak   360 spectrum    1 weight  0.10000E+01 volume  0.58641E-02 ppm1      2.102 ppm2      1.061 CV     1
 OR {  360}
   (( segid "    " and resid 14   and name HB  ))
   (( segid "    " and resid 14   and name HG12))
 ASSI {  364}
   (  segid "    " and resid 14   and name HG2%)
   (  segid "    " and resid 14   and name HD1%)
      2.900     1.100     1.100 peak   364 spectrum    1 weight  0.10000E+01 volume  0.88127E-02 ppm1      1.064 ppm2      0.744 CV     1
 ASSI {  365}
   (  segid "    " and resid 14   and name HG2%)
   (  segid "    " and resid 46   and name HG1%)
      2.200     0.600     0.600 peak   365 spectrum    1 weight  0.10000E+01 volume  0.58891E-02 ppm1      1.062 ppm2      0.684 CV     1
 ASSI {  366}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 18   and name HG11))
      2.900     1.000     1.000 peak   366 spectrum    1 weight  0.10000E+01 volume  0.14912E-02 ppm1      1.061 ppm2      1.643 CV     1
 OR {  366}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 18   and name HB  ))
 ASSI {  368}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      2.600     0.900     0.900 peak   368 spectrum    1 weight  0.10000E+01 volume  0.25795E-02 ppm1      3.603 ppm2      8.797 CV     1
 ASSI {  369}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 15   and name HN  ))
      2.200     0.600     0.600 peak   369 spectrum    1 weight  0.10000E+01 volume  0.37736E-02 ppm1      2.252 ppm2      8.794 CV     1
 ASSI {  370}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      3.400     1.500     1.500 peak   370 spectrum    1 weight  0.10000E+01 volume  0.74164E-03 ppm1      3.599 ppm2      8.684 CV     1
 ASSI {  371}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      3.000     1.100     1.100 peak   371 spectrum    1 weight  0.10000E+01 volume  0.14011E-02 ppm1      3.601 ppm2      8.468 CV     1
 ASSI {  372}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      3.900     1.900     1.900 peak   372 spectrum    1 weight  0.10000E+01 volume  0.14068E-02 ppm1      3.601 ppm2      8.214 CV     1
 ASSI {  374}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 15   and name HN  ))
      2.300     0.700     0.700 peak   374 spectrum    1 weight  0.10000E+01 volume  0.57455E-02 ppm1      1.178 ppm2      8.796 CV     1
 ASSI {  375}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 15   and name HN  ))
      3.800     1.800     1.800 peak   375 spectrum    1 weight  0.10000E+01 volume  0.15859E-02 ppm1      1.002 ppm2      8.796 CV     1
 ASSI {  377}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 14   and name HN  ))
      4.200     2.200     1.800 peak   377 spectrum    1 weight  0.10000E+01 volume  0.72741E-03 ppm1      1.178 ppm2      8.203 CV     1
 ASSI {  379}
   (  segid "    " and resid 15   and name HG2%)
   (  segid "    " and resid 32   and name HE% )
      2.700     0.900     0.900 peak   379 spectrum    1 weight  0.10000E+01 volume  0.30021E-02 ppm1      1.178 ppm2      6.986 CV     1
 ASSI {  381}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 21   and name HN  ))
      3.300     1.400     1.400 peak   381 spectrum    1 weight  0.10000E+01 volume  0.10801E-02 ppm1      1.004 ppm2      6.465 CV     1
 ASSI {  384}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 14   and name HN  ))
      5.000     3.100     1.000 peak   384 spectrum    1 weight  0.10000E+01 volume  0.61382E-03 ppm1      0.994 ppm2      8.220 CV     1
 ASSI {  390}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 16   and name HN  ))
      4.100     2.100     1.900 peak   390 spectrum    1 weight  0.10000E+01 volume  0.11460E-02 ppm1      1.177 ppm2      8.683 CV     1
 ASSI {  391}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 11   and name HA  ))
      3.900     1.900     1.900 peak   391 spectrum    1 weight  0.10000E+01 volume  0.68549E-03 ppm1      1.180 ppm2      4.253 CV     1
 ASSI {  392}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 12   and name HA  ))
      3.100     1.200     1.200 peak   392 spectrum    1 weight  0.10000E+01 volume  0.25949E-02 ppm1      1.178 ppm2      4.056 CV     1
 ASSI {  393}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 15   and name HA  ))
      2.300     0.700     0.700 peak   393 spectrum    1 weight  0.10000E+01 volume  0.54261E-02 ppm1      1.178 ppm2      3.598 CV     1
 ASSI {  396}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 12   and name HA  ))
      3.800     1.800     1.800 peak   396 spectrum    1 weight  0.10000E+01 volume  0.13522E-02 ppm1      0.996 ppm2      4.066 CV     1
 ASSI {  397}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 15   and name HB  ))
      2.100     0.500     0.500 peak   397 spectrum    1 weight  0.10000E+01 volume  0.71914E-02 ppm1      1.178 ppm2      2.247 CV     1
 ASSI {  398}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 14   and name HB  ))
      3.400     1.400     1.400 peak   398 spectrum    1 weight  0.10000E+01 volume  0.10790E-02 ppm1      1.178 ppm2      2.100 CV     1
 ASSI {  403}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 15   and name HG1%)
      2.300     0.600     0.600 peak   403 spectrum    1 weight  0.10000E+01 volume  0.76296E-02 ppm1      3.603 ppm2      0.995 CV     1
 ASSI {  404}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 14   and name HD1%)
      4.700     2.800     1.300 peak   404 spectrum    1 weight  0.10000E+01 volume  0.74826E-03 ppm1      3.602 ppm2      0.772 CV     1
 ASSI {  409}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 15   and name HN  ))
      3.900     1.900     1.900 peak   409 spectrum    1 weight  0.10000E+01 volume  0.19605E-02 ppm1      0.737 ppm2      8.812 CV     1
 ASSI {  410}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 14   and name HN  ))
      2.500     0.800     0.800 peak   410 spectrum    1 weight  0.10000E+01 volume  0.24575E-02 ppm1      0.737 ppm2      8.196 CV     1
 ASSI {  411}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 54   and name HZ  ))
      3.500     1.500     1.500 peak   411 spectrum    1 weight  0.10000E+01 volume  0.97776E-03 ppm1      0.739 ppm2      7.467 CV     1
 OR {  411}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 54   and name HD% )
 ASSI {  412}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 54   and name HE% )
      3.500     1.500     1.500 peak   412 spectrum    1 weight  0.10000E+01 volume  0.13210E-02 ppm1      0.735 ppm2      7.134 CV     1
 ASSI {  413}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 11   and name HA  ))
      2.500     0.800     0.800 peak   413 spectrum    1 weight  0.10000E+01 volume  0.39341E-02 ppm1      0.738 ppm2      4.252 CV     1
 ASSI {  414}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 13   and name HA  ))
      3.300     1.400     1.400 peak   414 spectrum    1 weight  0.10000E+01 volume  0.50263E-02 ppm1      0.738 ppm2      3.955 CV     1
 ASSI {  416}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 53   and name HD1 ))
      3.300     1.400     1.400 peak   416 spectrum    1 weight  0.10000E+01 volume  0.13109E-02 ppm1      0.738 ppm2      2.880 CV     1
 ASSI {  418}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 14   and name HB  ))
      2.400     0.700     0.700 peak   418 spectrum    1 weight  0.10000E+01 volume  0.50303E-02 ppm1      0.737 ppm2      2.097 CV     1
 ASSI {  422}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 14   and name HG12))
      2.000     0.500     0.500 peak   422 spectrum    1 weight  0.10000E+01 volume  0.16211E-01 ppm1      0.739 ppm2      1.063 CV     1
 OR {  422}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 14   and name HG2%)
 ASSI {  423}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 16   and name HN  ))
      2.600     0.800     0.800 peak   423 spectrum    1 weight  0.10000E+01 volume  0.35901E-02 ppm1      3.109 ppm2      8.686 CV     1
 ASSI {  424}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HN  ))
      2.400     0.700     0.700 peak   424 spectrum    1 weight  0.10000E+01 volume  0.36697E-02 ppm1      2.753 ppm2      8.686 CV     1
 ASSI {  426}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 17   and name HN  ))
      3.400     1.400     1.400 peak   426 spectrum    1 weight  0.10000E+01 volume  0.21960E-02 ppm1      2.753 ppm2      8.403 CV     1
 ASSI {  427}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 16   and name HD22))
      4.000     2.000     2.000 peak   427 spectrum    1 weight  0.10000E+01 volume  0.20413E-02 ppm1      3.111 ppm2      8.058 CV     1
 ASSI {  428}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HD22))
      4.200     2.200     1.800 peak   428 spectrum    1 weight  0.10000E+01 volume  0.94801E-03 ppm1      2.747 ppm2      8.057 CV     1
 ASSI {  430}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HD21))
      3.000     1.100     1.100 peak   430 spectrum    1 weight  0.10000E+01 volume  0.59197E-03 ppm1      2.748 ppm2      6.854 CV     1
 ASSI {  432}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HA  ))
      2.900     1.000     1.000 peak   432 spectrum    1 weight  0.10000E+01 volume  0.13832E-02 ppm1      2.753 ppm2      4.678 CV     1
 ASSI {  433}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 13   and name HA  ))
      2.900     1.100     1.100 peak   433 spectrum    1 weight  0.10000E+01 volume  0.18734E-02 ppm1      3.110 ppm2      3.942 CV     1
 ASSI {  434}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 13   and name HA  ))
      2.800     1.000     1.000 peak   434 spectrum    1 weight  0.10000E+01 volume  0.30064E-02 ppm1      2.753 ppm2      3.942 CV     1
 ASSI {  435}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HB1 ))
      2.900     1.100     1.100 peak   435 spectrum    1 weight  0.10000E+01 volume  0.30876E-02 ppm1      4.679 ppm2      3.105 CV     1
 ASSI {  436}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 15   and name HA  ))
      4.500     2.500     1.500 peak   436 spectrum    1 weight  0.10000E+01 volume  0.68283E-03 ppm1      3.112 ppm2      3.610 CV     1
 ASSI {  437}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 15   and name HA  ))
      4.800     2.800     1.200 peak   437 spectrum    1 weight  0.10000E+01 volume  0.37580E-03 ppm1      2.747 ppm2      3.610 CV     1
 ASSI {  438}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 15   and name HB  ))
      3.600     1.600     1.600 peak   438 spectrum    1 weight  0.10000E+01 volume  0.75844E-03 ppm1      2.755 ppm2      2.261 CV     1
 ASSI {  439}
   (( segid "    " and resid 16   and name HB1 ))
   (  segid "    " and resid 15   and name HG1%)
      3.700     1.700     1.700 peak   439 spectrum    1 weight  0.10000E+01 volume  0.24649E-02 ppm1      3.112 ppm2      0.987 CV     1
 ASSI {  440}
   (( segid "    " and resid 16   and name HB2 ))
   (  segid "    " and resid 15   and name HG1%)
      3.300     1.400     1.400 peak   440 spectrum    1 weight  0.10000E+01 volume  0.14264E-02 ppm1      2.757 ppm2      0.986 CV     1
 ASSI {  441}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 15   and name HB  ))
      4.500     2.500     1.500 peak   441 spectrum    1 weight  0.10000E+01 volume  0.66292E-03 ppm1      3.113 ppm2      2.264 CV     1
 ASSI {  442}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 17   and name HN  ))
      2.900     1.000     1.000 peak   442 spectrum    1 weight  0.10000E+01 volume  0.29387E-02 ppm1      2.266 ppm2      8.400 CV     1
 ASSI {  444}
   (( segid "    " and resid 17   and name HG1 ))
   (( segid "    " and resid 17   and name HN  ))
      3.800     1.800     1.800 peak   444 spectrum    1 weight  0.10000E+01 volume  0.11716E-02 ppm1      2.431 ppm2      8.401 CV     1
 ASSI {  445}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 17   and name HN  ))
      2.300     0.700     0.700 peak   445 spectrum    1 weight  0.10000E+01 volume  0.16322E-02 ppm1      2.260 ppm2      8.399 CV     1
 ASSI {  446}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      2.600     0.800     0.800 peak   446 spectrum    1 weight  0.10000E+01 volume  0.39790E-02 ppm1      3.929 ppm2      8.400 CV     1
 ASSI {  448}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 14   and name HA  ))
      4.600     2.700     1.400 peak   448 spectrum    1 weight  0.10000E+01 volume  0.80142E-03 ppm1      2.139 ppm2      3.822 CV     1
 ASSI {  449}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 14   and name HA  ))
      4.200     2.200     1.800 peak   449 spectrum    1 weight  0.10000E+01 volume  0.11135E-02 ppm1      2.262 ppm2      3.820 CV     1
 ASSI {  450}
   (( segid "    " and resid 17   and name HG1 ))
   (( segid "    " and resid 17   and name HA  ))
      3.600     1.600     1.600 peak   450 spectrum    1 weight  0.10000E+01 volume  0.20445E-02 ppm1      2.430 ppm2      3.928 CV     1
 ASSI {  451}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 17   and name HA  ))
      3.400     1.400     1.400 peak   451 spectrum    1 weight  0.10000E+01 volume  0.22579E-02 ppm1      2.263 ppm2      3.928 CV     1
 ASSI {  453}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB1 ))
      2.200     0.600     0.600 peak   453 spectrum    1 weight  0.10000E+01 volume  0.10460E-01 ppm1      3.931 ppm2      2.259 CV     1
 OR {  453}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HG2 ))
 ASSI {  454}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB2 ))
      2.800     0.900     0.900 peak   454 spectrum    1 weight  0.10000E+01 volume  0.37777E-02 ppm1      3.929 ppm2      2.135 CV     1
 ASSI {  456}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 18   and name HN  ))
      2.400     0.700     0.700 peak   456 spectrum    1 weight  0.10000E+01 volume  0.31058E-02 ppm1      1.631 ppm2      8.216 CV     1
 ASSI {  457}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      2.700     0.900     0.900 peak   457 spectrum    1 weight  0.10000E+01 volume  0.27227E-02 ppm1      3.931 ppm2      8.220 CV     1
 ASSI {  458}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HB  ))
      2.600     0.800     0.800 peak   458 spectrum    1 weight  0.10000E+01 volume  0.54923E-02 ppm1      3.931 ppm2      1.637 CV     1
 OR {  458}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HG11))
 ASSI {  459}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HG12))
      2.500     0.800     0.800 peak   459 spectrum    1 weight  0.10000E+01 volume  0.43392E-02 ppm1      3.931 ppm2      1.308 CV     1
 ASSI {  460}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 18   and name HG2%)
      2.300     0.700     0.700 peak   460 spectrum    1 weight  0.10000E+01 volume  0.73478E-02 ppm1      3.932 ppm2      0.945 CV     1
 ASSI {  463}
   (( segid "    " and resid 18   and name HG11))
   (( segid "    " and resid 18   and name HA  ))
      3.200     1.300     1.300 peak   463 spectrum    1 weight  0.10000E+01 volume  0.25074E-02 ppm1      1.657 ppm2      3.929 CV     1
 ASSI {  464}
   (( segid "    " and resid 18   and name HG11))
   (( segid "    " and resid 18   and name HN  ))
      2.900     1.100     1.100 peak   464 spectrum    1 weight  0.10000E+01 volume  0.24043E-02 ppm1      1.656 ppm2      8.219 CV     1
 ASSI {  465}
   (( segid "    " and resid 18   and name HG12))
   (( segid "    " and resid 18   and name HN  ))
      2.800     1.000     1.000 peak   465 spectrum    1 weight  0.10000E+01 volume  0.15836E-02 ppm1      1.315 ppm2      8.219 CV     1
 ASSI {  467}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 19   and name HN  ))
      2.400     0.700     0.700 peak   467 spectrum    1 weight  0.10000E+01 volume  0.21290E-02 ppm1      1.628 ppm2      8.469 CV     1
 ASSI {  471}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 15   and name HA  ))
      3.500     1.500     1.500 peak   471 spectrum    1 weight  0.10000E+01 volume  0.28971E-02 ppm1      0.956 ppm2      3.611 CV     1
 ASSI {  472}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 15   and name HA  ))
      2.800     0.900     0.900 peak   472 spectrum    1 weight  0.10000E+01 volume  0.16756E-02 ppm1      1.630 ppm2      3.599 CV     1
 ASSI {  473}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 18   and name HA  ))
      3.000     1.100     1.100 peak   473 spectrum    1 weight  0.10000E+01 volume  0.17627E-02 ppm1      1.625 ppm2      3.935 CV     1
 ASSI {  474}
   (( segid "    " and resid 18   and name HG11))
   (( segid "    " and resid 17   and name HB2 ))
      4.600     2.700     1.400 peak   474 spectrum    1 weight  0.10000E+01 volume  0.24319E-03 ppm1      1.648 ppm2      2.136 CV     1
 ASSI {  475}
   (( segid "    " and resid 18   and name HG12))
   (( segid "    " and resid 17   and name HB2 ))
      3.400     1.500     1.500 peak   475 spectrum    1 weight  0.10000E+01 volume  0.73219E-03 ppm1      1.310 ppm2      2.135 CV     1
 ASSI {  476}
   (( segid "    " and resid 18   and name HG11))
   (  segid "    " and resid 18   and name HD1%)
      2.400     0.700     0.700 peak   476 spectrum    1 weight  0.10000E+01 volume  0.35979E-02 ppm1      1.655 ppm2      0.780 CV     1
 ASSI {  480}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 45   and name HA  ))
      4.400     2.500     1.600 peak   480 spectrum    1 weight  0.10000E+01 volume  0.77380E-03 ppm1      0.784 ppm2      4.065 CV     1
 ASSI {  481}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 18   and name HA  ))
      3.000     1.100     1.100 peak   481 spectrum    1 weight  0.10000E+01 volume  0.24260E-02 ppm1      0.781 ppm2      3.933 CV     1
 ASSI {  482}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 15   and name HA  ))
      4.300     2.300     1.700 peak   482 spectrum    1 weight  0.10000E+01 volume  0.66969E-03 ppm1      0.783 ppm2      3.608 CV     1
 ASSI {  483}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 46   and name HA  ))
      2.400     0.700     0.700 peak   483 spectrum    1 weight  0.10000E+01 volume  0.42634E-02 ppm1      0.781 ppm2      3.430 CV     1
 ASSI {  485}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 45   and name HB1 ))
      2.500     0.800     0.800 peak   485 spectrum    1 weight  0.10000E+01 volume  0.34808E-02 ppm1      0.782 ppm2      2.290 CV     1
 OR {  485}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 45   and name HG2 ))
 ASSI {  486}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 45   and name HB2 ))
      2.500     0.800     0.800 peak   486 spectrum    1 weight  0.10000E+01 volume  0.34512E-02 ppm1      0.782 ppm2      2.158 CV     1
 ASSI {  487}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 18   and name HG11))
      2.200     0.600     0.600 peak   487 spectrum    1 weight  0.10000E+01 volume  0.82040E-02 ppm1      0.781 ppm2      1.643 CV     1
 OR {  487}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 18   and name HB  ))
 ASSI {  489}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 18   and name HG12))
      2.300     0.700     0.700 peak   489 spectrum    1 weight  0.10000E+01 volume  0.53259E-02 ppm1      0.781 ppm2      1.304 CV     1
 ASSI {  490}
   (  segid "    " and resid 18   and name HD1%)
   (  segid "    " and resid 15   and name HG2%)
      4.800     2.900     1.200 peak   490 spectrum    1 weight  0.10000E+01 volume  0.55688E-03 ppm1      0.779 ppm2      1.192 CV     1
 ASSI {  491}
   (  segid "    " and resid 18   and name HD1%)
   (  segid "    " and resid 14   and name HG2%)
      2.300     0.700     0.700 peak   491 spectrum    1 weight  0.10000E+01 volume  0.81216E-02 ppm1      0.782 ppm2      1.050 CV     1
 OR {  491}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 14   and name HG12))
 ASSI {  492}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 18   and name HN  ))
      3.600     1.600     1.600 peak   492 spectrum    1 weight  0.10000E+01 volume  0.14489E-02 ppm1      0.781 ppm2      8.218 CV     1
 ASSI {  493}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 46   and name HN  ))
      3.600     1.700     1.700 peak   493 spectrum    1 weight  0.10000E+01 volume  0.93927E-03 ppm1      0.783 ppm2      8.109 CV     1
 ASSI {  495}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 19   and name HN  ))
      2.300     0.700     0.700 peak   495 spectrum    1 weight  0.10000E+01 volume  0.53060E-02 ppm1      1.542 ppm2      8.463 CV     1
 ASSI {  496}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 18   and name HN  ))
      4.500     2.600     1.500 peak   496 spectrum    1 weight  0.10000E+01 volume  0.68745E-03 ppm1      1.541 ppm2      8.228 CV     1
 ASSI {  497}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 20   and name HN  ))
      3.000     1.100     1.100 peak   497 spectrum    1 weight  0.10000E+01 volume  0.14628E-02 ppm1      1.542 ppm2      7.835 CV     1
 ASSI {  498}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 21   and name HN  ))
      3.000     1.100     1.100 peak   498 spectrum    1 weight  0.10000E+01 volume  0.18459E-02 ppm1      1.543 ppm2      6.463 CV     1
 ASSI {  499}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 19   and name HA  ))
      2.200     0.600     0.600 peak   499 spectrum    1 weight  0.10000E+01 volume  0.98902E-02 ppm1      1.542 ppm2      4.825 CV     1
 ASSI {  502}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 15   and name HA  ))
      3.200     1.300     1.300 peak   502 spectrum    1 weight  0.10000E+01 volume  0.18952E-02 ppm1      1.543 ppm2      3.608 CV     1
 ASSI {  503}
   (  segid "    " and resid 19   and name HB% )
   (  segid "    " and resid 18   and name HG2%)
      2.200     2.200     3.800 peak   503 spectrum    1 weight  0.10000E+01 volume  0.15125E-01 ppm1      1.542 ppm2      0.953 CV     1
 ASSI {  504}
   (  segid "    " and resid 19   and name HB% )
   (  segid "    " and resid 21   and name HD1%)
      3.300     1.400     1.400 peak   504 spectrum    1 weight  0.10000E+01 volume  0.26077E-02 ppm1      1.541 ppm2      0.834 CV     1
 ASSI {  505}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 21   and name HG11))
      2.300     0.600     0.600 peak   505 spectrum    1 weight  0.10000E+01 volume  0.58216E-02 ppm1      1.540 ppm2      1.287 CV     1
 OR {  505}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 21   and name HG12))
 ASSI {  506}
   (( segid "    " and resid 20   and name HA1 ))
   (( segid "    " and resid 20   and name HN  ))
      2.800     1.000     1.000 peak   506 spectrum    1 weight  0.10000E+01 volume  0.41885E-02 ppm1      4.064 ppm2      7.835 CV     1
 ASSI {  507}
   (( segid "    " and resid 20   and name HA1 ))
   (( segid "    " and resid 19   and name HN  ))
      4.800     2.900     1.200 peak   507 spectrum    1 weight  0.10000E+01 volume  0.63070E-03 ppm1      4.071 ppm2      8.464 CV     1
 ASSI {  508}
   (( segid "    " and resid 20   and name HA2 ))
   (( segid "    " and resid 19   and name HN  ))
      4.800     2.900     1.200 peak   508 spectrum    1 weight  0.10000E+01 volume  0.43583E-03 ppm1      3.942 ppm2      8.470 CV     1
 ASSI {  510}
   (( segid "    " and resid 20   and name HA2 ))
   (( segid "    " and resid 21   and name HN  ))
      3.400     1.400     1.400 peak   510 spectrum    1 weight  0.10000E+01 volume  0.10494E-02 ppm1      3.954 ppm2      6.466 CV     1
 ASSI {  512}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      2.600     0.900     0.900 peak   512 spectrum    1 weight  0.10000E+01 volume  0.19048E-02 ppm1      4.318 ppm2      6.471 CV     1
 ASSI {  513}
   (( segid "    " and resid 21   and name HG11))
   (( segid "    " and resid 21   and name HN  ))
      2.200     0.600     0.600 peak   513 spectrum    1 weight  0.10000E+01 volume  0.37449E-02 ppm1      1.312 ppm2      6.466 CV     1
 OR {  513}
   (( segid "    " and resid 21   and name HG12))
   (( segid "    " and resid 21   and name HN  ))
 ASSI {  522}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HB  ))
      2.600     0.800     0.800 peak   522 spectrum    1 weight  0.10000E+01 volume  0.28778E-02 ppm1      4.317 ppm2      1.610 CV     1
 ASSI {  523}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HG11))
      3.000     1.100     1.100 peak   523 spectrum    1 weight  0.10000E+01 volume  0.25878E-02 ppm1      4.319 ppm2      1.307 CV     1
 OR {  523}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HG12))
 ASSI {  524}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 21   and name HG2%)
      2.500     0.800     0.800 peak   524 spectrum    1 weight  0.10000E+01 volume  0.48821E-02 ppm1      4.318 ppm2      1.009 CV     1
 ASSI {  525}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 21   and name HD1%)
      2.400     0.700     0.700 peak   525 spectrum    1 weight  0.10000E+01 volume  0.38723E-02 ppm1      4.319 ppm2      0.841 CV     1
 ASSI {  526}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 22   and name HG1 ))
      4.500     2.500     1.500 peak   526 spectrum    1 weight  0.10000E+01 volume  0.11306E-02 ppm1      4.323 ppm2      2.134 CV     1
 ASSI {  527}
   (( segid "    " and resid 21   and name HG12))
   (  segid "    " and resid 21   and name HG2%)
      2.400     0.700     0.700 peak   527 spectrum    1 weight  0.10000E+01 volume  0.65511E-02 ppm1      1.311 ppm2      1.007 CV     1
 OR {  527}
   (( segid "    " and resid 21   and name HG11))
   (  segid "    " and resid 21   and name HG2%)
 ASSI {  528}
   (( segid "    " and resid 21   and name HG11))
   (  segid "    " and resid 21   and name HD1%)
      2.200     0.600     0.600 peak   528 spectrum    1 weight  0.10000E+01 volume  0.65861E-02 ppm1      1.311 ppm2      0.842 CV     1
 OR {  528}
   (( segid "    " and resid 21   and name HG12))
   (  segid "    " and resid 21   and name HD1%)
 ASSI {  529}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 25   and name HB1 ))
      2.600     0.800     0.800 peak   529 spectrum    1 weight  0.10000E+01 volume  0.14717E-02 ppm1      1.012 ppm2      2.686 CV     1
 ASSI {  530}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 25   and name HB2 ))
      3.800     1.800     1.800 peak   530 spectrum    1 weight  0.10000E+01 volume  0.11826E-02 ppm1      1.014 ppm2      2.600 CV     1
 ASSI {  531}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 25   and name HN  ))
      4.700     2.800     1.300 peak   531 spectrum    1 weight  0.10000E+01 volume  0.41176E-03 ppm1      1.015 ppm2      7.745 CV     1
 ASSI {  532}
   (  segid "    " and resid 21   and name HD1%)
   (( segid "    " and resid 21   and name HN  ))
      3.800     1.800     1.800 peak   532 spectrum    1 weight  0.10000E+01 volume  0.10228E-02 ppm1      0.845 ppm2      6.464 CV     1
 ASSI {  534}
   (  segid "    " and resid 21   and name HD1%)
   (( segid "    " and resid 20   and name HA1 ))
      2.500     2.500     3.500 peak   534 spectrum    1 weight  0.10000E+01 volume  0.12105E-02 ppm1      0.845 ppm2      4.053 CV     1
 ASSI {  535}
   (  segid "    " and resid 21   and name HD1%)
   (( segid "    " and resid 22   and name HD2 ))
      4.300     2.300     1.700 peak   535 spectrum    1 weight  0.10000E+01 volume  0.60633E-03 ppm1      0.851 ppm2      3.701 CV     1
 ASSI {  537}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 22   and name HA  ))
      2.200     0.600     0.600 peak   537 spectrum    1 weight  0.10000E+01 volume  0.47734E-02 ppm1      2.352 ppm2      4.306 CV     1
 ASSI {  538}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HA  ))
      3.000     1.100     1.100 peak   538 spectrum    1 weight  0.10000E+01 volume  0.22818E-02 ppm1      1.762 ppm2      4.306 CV     1
 ASSI {  541}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HG2 ))
      3.700     1.700     1.700 peak   541 spectrum    1 weight  0.10000E+01 volume  0.19924E-02 ppm1      4.304 ppm2      1.946 CV     1
 ASSI {  542}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 21   and name HG2%)
      3.600     1.600     1.600 peak   542 spectrum    1 weight  0.10000E+01 volume  0.20305E-02 ppm1      4.306 ppm2      0.997 CV     1
 ASSI {  543}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 22   and name HD1 ))
      4.200     2.200     1.800 peak   543 spectrum    1 weight  0.10000E+01 volume  0.92254E-03 ppm1      2.355 ppm2      4.040 CV     1
 ASSI {  544}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 22   and name HD2 ))
      4.100     2.100     1.900 peak   544 spectrum    1 weight  0.10000E+01 volume  0.10707E-02 ppm1      2.351 ppm2      3.697 CV     1
 ASSI {  548}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      3.800     1.800     1.800 peak   548 spectrum    1 weight  0.10000E+01 volume  0.10026E-02 ppm1      4.305 ppm2      9.252 CV     1
 ASSI {  549}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      1.900     0.400     0.400 peak   549 spectrum    1 weight  0.10000E+01 volume  0.11438E-01 ppm1      4.305 ppm2      8.514 CV     1
 ASSI {  551}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 16   and name HD22))
      2.900     1.100     1.100 peak   551 spectrum    1 weight  0.10000E+01 volume  0.22479E-02 ppm1      4.303 ppm2      8.059 CV     1
 ASSI {  552}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 16   and name HD21))
      2.900     1.000     1.000 peak   552 spectrum    1 weight  0.10000E+01 volume  0.14388E-02 ppm1      4.304 ppm2      6.848 CV     1
 ASSI {  553}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 24   and name HN  ))
      3.300     1.400     1.400 peak   553 spectrum    1 weight  0.10000E+01 volume  0.79652E-03 ppm1      2.349 ppm2      9.250 CV     1
 ASSI {  554}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 23   and name HN  ))
      3.100     1.200     1.200 peak   554 spectrum    1 weight  0.10000E+01 volume  0.13683E-02 ppm1      2.352 ppm2      8.514 CV     1
 ASSI {  555}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 25   and name HN  ))
      4.600     2.700     1.400 peak   555 spectrum    1 weight  0.10000E+01 volume  0.52538E-03 ppm1      2.356 ppm2      7.746 CV     1
 ASSI {  556}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 24   and name HN  ))
      3.200     1.300     1.300 peak   556 spectrum    1 weight  0.10000E+01 volume  0.77573E-03 ppm1      1.758 ppm2      9.247 CV     1
 ASSI {  557}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 23   and name HN  ))
      3.900     1.900     1.900 peak   557 spectrum    1 weight  0.10000E+01 volume  0.67906E-03 ppm1      1.770 ppm2      8.521 CV     1
 ASSI {  558}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 25   and name HN  ))
      3.300     1.300     1.300 peak   558 spectrum    1 weight  0.10000E+01 volume  0.11119E-02 ppm1      1.767 ppm2      7.734 CV     1
 ASSI {  559}
   (( segid "    " and resid 22   and name HG1 ))
   (( segid "    " and resid 22   and name HA  ))
      2.900     1.100     1.100 peak   559 spectrum    1 weight  0.10000E+01 volume  0.17218E-02 ppm1      2.135 ppm2      4.309 CV     1
 ASSI {  560}
   (( segid "    " and resid 22   and name HG1 ))
   (( segid "    " and resid 22   and name HD1 ))
      2.300     0.700     0.700 peak   560 spectrum    1 weight  0.10000E+01 volume  0.32776E-02 ppm1      2.136 ppm2      4.043 CV     1
 ASSI {  564}
   (( segid "    " and resid 22   and name HG2 ))
   (( segid "    " and resid 22   and name HD2 ))
      2.400     0.700     0.700 peak   564 spectrum    1 weight  0.10000E+01 volume  0.22357E-02 ppm1      1.950 ppm2      3.700 CV     1
 ASSI {  565}
   (( segid "    " and resid 22   and name HD1 ))
   (( segid "    " and resid 22   and name HA  ))
      2.300     2.300     3.700 peak   565 spectrum    1 weight  0.10000E+01 volume  0.90668E-02 ppm1      4.045 ppm2      4.316 CV     1
 ASSI {  566}
   (( segid "    " and resid 22   and name HD2 ))
   (( segid "    " and resid 22   and name HA  ))
      2.700     2.700     3.300 peak   566 spectrum    1 weight  0.10000E+01 volume  0.61388E-02 ppm1      3.701 ppm2      4.316 CV     1
 ASSI {  567}
   (( segid "    " and resid 22   and name HB1 ))
   (  segid "    " and resid 21   and name HG2%)
      4.900     3.000     1.100 peak   567 spectrum    1 weight  0.10000E+01 volume  0.98028E-03 ppm1      2.347 ppm2      0.996 CV     1
 ASSI {  568}
   (( segid "    " and resid 22   and name HB2 ))
   (  segid "    " and resid 21   and name HG2%)
      4.400     2.500     1.600 peak   568 spectrum    1 weight  0.10000E+01 volume  0.42865E-03 ppm1      1.765 ppm2      1.000 CV     1
 ASSI {  570}
   (( segid "    " and resid 22   and name HD2 ))
   (( segid "    " and resid 22   and name HG1 ))
      2.900     1.000     1.000 peak   570 spectrum    1 weight  0.10000E+01 volume  0.36650E-02 ppm1      3.701 ppm2      2.134 CV     1
 ASSI {  572}
   (( segid "    " and resid 22   and name HD2 ))
   (( segid "    " and resid 22   and name HB2 ))
      2.900     1.100     1.100 peak   572 spectrum    1 weight  0.10000E+01 volume  0.17930E-02 ppm1      3.699 ppm2      1.760 CV     1
 ASSI {  575}
   (( segid "    " and resid 22   and name HD1 ))
   (( segid "    " and resid 22   and name HG2 ))
      2.800     1.000     1.000 peak   575 spectrum    1 weight  0.10000E+01 volume  0.32327E-02 ppm1      4.043 ppm2      1.946 CV     1
 ASSI {  576}
   (( segid "    " and resid 22   and name HD1 ))
   (( segid "    " and resid 22   and name HB2 ))
      3.900     1.900     1.900 peak   576 spectrum    1 weight  0.10000E+01 volume  0.11613E-02 ppm1      4.046 ppm2      1.760 CV     1
 ASSI {  577}
   (( segid "    " and resid 22   and name HD1 ))
   (( segid "    " and resid 21   and name HB  ))
      5.000     3.100     1.000 peak   577 spectrum    1 weight  0.10000E+01 volume  0.49283E-03 ppm1      4.040 ppm2      1.598 CV     1
 ASSI {  578}
   (( segid "    " and resid 22   and name HD2 ))
   (( segid "    " and resid 21   and name HB  ))
      4.200     2.300     1.800 peak   578 spectrum    1 weight  0.10000E+01 volume  0.61644E-03 ppm1      3.708 ppm2      1.598 CV     1
 ASSI {  579}
   (( segid "    " and resid 22   and name HD1 ))
   (  segid "    " and resid 21   and name HG2%)
      3.600     1.600     1.600 peak   579 spectrum    1 weight  0.10000E+01 volume  0.28019E-02 ppm1      4.045 ppm2      1.006 CV     1
 ASSI {  580}
   (( segid "    " and resid 22   and name HD1 ))
   (  segid "    " and resid 21   and name HD1%)
      4.500     2.600     1.500 peak   580 spectrum    1 weight  0.10000E+01 volume  0.73094E-03 ppm1      4.048 ppm2      0.844 CV     1
 ASSI {  581}
   (( segid "    " and resid 22   and name HD2 ))
   (  segid "    " and resid 21   and name HG2%)
      2.100     0.600     0.600 peak   581 spectrum    1 weight  0.10000E+01 volume  0.39416E-02 ppm1      3.700 ppm2      1.010 CV     1
 ASSI {  583}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      2.400     0.700     0.700 peak   583 spectrum    1 weight  0.10000E+01 volume  0.30727E-02 ppm1      3.616 ppm2      8.514 CV     1
 ASSI {  584}
   (( segid "    " and resid 23   and name HB  ))
   (( segid "    " and resid 23   and name HN  ))
      3.200     1.300     1.300 peak   584 spectrum    1 weight  0.10000E+01 volume  0.37024E-02 ppm1      2.042 ppm2      8.515 CV     1
 ASSI {  585}
   (( segid "    " and resid 23   and name HB  ))
   (( segid "    " and resid 24   and name HN  ))
      3.300     1.400     1.400 peak   585 spectrum    1 weight  0.10000E+01 volume  0.20127E-02 ppm1      2.041 ppm2      9.249 CV     1
 ASSI {  586}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      3.200     1.300     1.300 peak   586 spectrum    1 weight  0.10000E+01 volume  0.95072E-03 ppm1      3.618 ppm2      9.244 CV     1
 ASSI {  587}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 23   and name HN  ))
      2.100     0.600     0.600 peak   587 spectrum    1 weight  0.10000E+01 volume  0.70325E-02 ppm1      1.004 ppm2      8.516 CV     1
 ASSI {  588}
   (  segid "    " and resid 23   and name HG1%)
   (( segid "    " and resid 16   and name HD22))
      3.700     1.700     1.700 peak   588 spectrum    1 weight  0.10000E+01 volume  0.85486E-03 ppm1      1.001 ppm2      8.062 CV     1
 ASSI {  589}
   (  segid "    " and resid 23   and name HG1%)
   (( segid "    " and resid 23   and name HN  ))
      2.400     0.700     0.700 peak   589 spectrum    1 weight  0.10000E+01 volume  0.42125E-02 ppm1      0.969 ppm2      8.514 CV     1
 ASSI {  590}
   (  segid "    " and resid 23   and name HG1%)
   (( segid "    " and resid 23   and name HA  ))
      2.200     0.600     0.600 peak   590 spectrum    1 weight  0.10000E+01 volume  0.87868E-02 ppm1      0.971 ppm2      3.613 CV     1
 ASSI {  595}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HB  ))
      2.300     0.600     0.600 peak   595 spectrum    1 weight  0.10000E+01 volume  0.51418E-02 ppm1      3.614 ppm2      2.035 CV     1
 ASSI {  596}
   (( segid "    " and resid 23   and name HA  ))
   (  segid "    " and resid 12   and name HB% )
      2.200     0.600     0.600 peak   596 spectrum    1 weight  0.10000E+01 volume  0.40630E-02 ppm1      3.615 ppm2      1.685 CV     1
 ASSI {  597}
   (( segid "    " and resid 23   and name HB  ))
   (  segid "    " and resid 12   and name HB% )
      3.200     1.300     1.300 peak   597 spectrum    1 weight  0.10000E+01 volume  0.20253E-02 ppm1      2.042 ppm2      1.682 CV     1
 ASSI {  598}
   (  segid "    " and resid 23   and name HG1%)
   (  segid "    " and resid 12   and name HB% )
      3.500     1.600     1.600 peak   598 spectrum    1 weight  0.10000E+01 volume  0.27856E-02 ppm1      1.004 ppm2      1.677 CV     1
 OR {  598}
   (  segid "    " and resid 23   and name HG2%)
   (  segid "    " and resid 12   and name HB% )
 ASSI {  599}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 24   and name HN  ))
      2.700     0.900     0.900 peak   599 spectrum    1 weight  0.10000E+01 volume  0.31890E-02 ppm1      1.004 ppm2      9.248 CV     1
 ASSI {  601}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 22   and name HA  ))
      4.400     2.400     1.600 peak   601 spectrum    1 weight  0.10000E+01 volume  0.14494E-02 ppm1      1.003 ppm2      4.298 CV     1
 ASSI {  603}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 16   and name HB2 ))
      2.400     2.400     3.600 peak   603 spectrum    1 weight  0.10000E+01 volume  0.16665E-02 ppm1      1.005 ppm2      2.753 CV     1
 ASSI {  604}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 23   and name HB  ))
      2.000     0.500     0.500 peak   604 spectrum    1 weight  0.10000E+01 volume  0.14892E-01 ppm1      1.004 ppm2      2.041 CV     1
 ASSI {  605}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 16   and name HB1 ))
      4.200     2.200     1.800 peak   605 spectrum    1 weight  0.10000E+01 volume  0.98319E-03 ppm1      3.616 ppm2      3.109 CV     1
 ASSI {  607}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HN  ))
      3.100     1.200     1.200 peak   607 spectrum    1 weight  0.10000E+01 volume  0.30220E-02 ppm1      2.121 ppm2      9.236 CV     1
 ASSI {  608}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      2.600     0.800     0.800 peak   608 spectrum    1 weight  0.10000E+01 volume  0.41057E-02 ppm1      4.043 ppm2      9.249 CV     1
 ASSI {  609}
   (( segid "    " and resid 24   and name HB1 ))
   (( segid "    " and resid 24   and name HN  ))
      2.600     0.800     0.800 peak   609 spectrum    1 weight  0.10000E+01 volume  0.51440E-02 ppm1      2.004 ppm2      9.247 CV     1
 OR {  609}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 24   and name HN  ))
 ASSI {  610}
   (( segid "    " and resid 24   and name HG1 ))
   (( segid "    " and resid 24   and name HN  ))
      2.800     1.000     1.000 peak   610 spectrum    1 weight  0.10000E+01 volume  0.26224E-02 ppm1      2.288 ppm2      9.248 CV     1
 OR {  610}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 24   and name HN  ))
 ASSI {  613}
   (( segid "    " and resid 24   and name HA  ))
   (  segid "    " and resid 23   and name HG1%)
      2.400     2.400     3.600 peak   613 spectrum    1 weight  0.10000E+01 volume  0.16233E-02 ppm1      4.044 ppm2      0.976 CV     1
 ASSI {  614}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HB2 ))
      2.200     0.600     0.600 peak   614 spectrum    1 weight  0.10000E+01 volume  0.13395E-01 ppm1      4.042 ppm2      1.998 CV     1
 OR {  614}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HB1 ))
 ASSI {  615}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HG1 ))
      2.800     0.900     0.900 peak   615 spectrum    1 weight  0.10000E+01 volume  0.55701E-02 ppm1      4.042 ppm2      2.285 CV     1
 OR {  615}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HG2 ))
 ASSI {  620}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HN  ))
      2.800     1.000     1.000 peak   620 spectrum    1 weight  0.10000E+01 volume  0.28696E-02 ppm1      2.595 ppm2      7.735 CV     1
 ASSI {  621}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      2.900     1.100     1.100 peak   621 spectrum    1 weight  0.10000E+01 volume  0.19284E-02 ppm1      4.604 ppm2      7.736 CV     1
 ASSI {  624}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 22   and name HD2 ))
      3.800     1.800     1.800 peak   624 spectrum    1 weight  0.10000E+01 volume  0.65206E-03 ppm1      2.599 ppm2      3.700 CV     1
 ASSI {  625}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 25   and name HA  ))
      3.100     1.200     1.200 peak   625 spectrum    1 weight  0.10000E+01 volume  0.21594E-02 ppm1      2.689 ppm2      4.591 CV     1
 ASSI {  626}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HA  ))
      2.600     0.900     0.900 peak   626 spectrum    1 weight  0.10000E+01 volume  0.22995E-02 ppm1      2.602 ppm2      4.595 CV     1
 ASSI {  629}
   (( segid "    " and resid 25   and name HB1 ))
   (  segid "    " and resid 23   and name HG2%)
      2.600     2.600     3.400 peak   629 spectrum    1 weight  0.10000E+01 volume  0.10272E-02 ppm1      2.681 ppm2      1.015 CV     1
 ASSI {  630}
   (( segid "    " and resid 25   and name HB2 ))
   (  segid "    " and resid 23   and name HG2%)
      2.400     2.400     3.600 peak   630 spectrum    1 weight  0.10000E+01 volume  0.16629E-02 ppm1      2.597 ppm2      1.015 CV     1
 ASSI {  632}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      2.700     0.900     0.900 peak   632 spectrum    1 weight  0.10000E+01 volume  0.20853E-02 ppm1      3.542 ppm2      7.492 CV     1
 ASSI {  634}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 26   and name HN  ))
      3.600     1.600     1.600 peak   634 spectrum    1 weight  0.10000E+01 volume  0.18200E-02 ppm1      0.742 ppm2      7.491 CV     1
 ASSI {  635}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 27   and name HN  ))
      3.300     1.400     1.400 peak   635 spectrum    1 weight  0.10000E+01 volume  0.16207E-02 ppm1      0.744 ppm2      6.369 CV     1
 ASSI {  636}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
      1.900     0.500     0.500 peak   636 spectrum    1 weight  0.10000E+01 volume  0.85595E-02 ppm1      3.541 ppm2      6.369 CV     1
 ASSI {  637}
   (( segid "    " and resid 26   and name HB  ))
   (  segid "    " and resid 26   and name HG2%)
      2.100     0.600     0.600 peak   637 spectrum    1 weight  0.10000E+01 volume  0.68586E-02 ppm1      2.340 ppm2      0.926 CV     1
 ASSI {  638}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 26   and name HG2%)
      2.400     0.700     0.700 peak   638 spectrum    1 weight  0.10000E+01 volume  0.46233E-02 ppm1      3.542 ppm2      0.919 CV     1
 ASSI {  639}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 26   and name HG1%)
      2.200     0.600     0.600 peak   639 spectrum    1 weight  0.10000E+01 volume  0.64569E-02 ppm1      3.541 ppm2      0.749 CV     1
 ASSI {  641}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 69   and name HG1%)
      3.700     1.700     1.700 peak   641 spectrum    1 weight  0.10000E+01 volume  0.97623E-03 ppm1      3.539 ppm2      0.455 CV     1
 ASSI {  642}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HB  ))
      2.900     1.000     1.000 peak   642 spectrum    1 weight  0.10000E+01 volume  0.15803E-02 ppm1      3.541 ppm2      2.340 CV     1
 ASSI {  645}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 12   and name HB% )
      5.000     3.100     1.000 peak   645 spectrum    1 weight  0.10000E+01 volume  0.41710E-03 ppm1      3.540 ppm2      1.689 CV     1
 ASSI {  649}
   (( segid "    " and resid 26   and name HB  ))
   (  segid "    " and resid 12   and name HB% )
      2.200     0.600     0.600 peak   649 spectrum    1 weight  0.10000E+01 volume  0.54414E-02 ppm1      2.346 ppm2      1.681 CV     1
 ASSI {  651}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 26   and name HB  ))
      2.000     0.500     0.500 peak   651 spectrum    1 weight  0.10000E+01 volume  0.91270E-02 ppm1      0.743 ppm2      2.337 CV     1
 ASSI {  653}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 11   and name HB1 ))
      2.600     0.900     0.900 peak   653 spectrum    1 weight  0.10000E+01 volume  0.88842E-03 ppm1      0.745 ppm2      2.106 CV     1
 ASSI {  655}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 30   and name HG1 ))
      4.900     3.000     1.100 peak   655 spectrum    1 weight  0.10000E+01 volume  0.33329E-03 ppm1      0.745 ppm2      1.791 CV     1
 ASSI {  656}
   (  segid "    " and resid 26   and name HG1%)
   (  segid "    " and resid 12   and name HB% )
      3.200     1.300     1.300 peak   656 spectrum    1 weight  0.10000E+01 volume  0.50007E-02 ppm1      0.743 ppm2      1.685 CV     1
 ASSI {  660}
   (  segid "    " and resid 26   and name HG1%)
   (( segid "    " and resid 12   and name HN  ))
      3.600     1.600     1.600 peak   660 spectrum    1 weight  0.10000E+01 volume  0.12204E-02 ppm1      0.743 ppm2      8.911 CV     1
 ASSI {  662}
   (  segid "    " and resid 26   and name HG1%)
   (  segid "    " and resid 15   and name HG2%)
      3.100     1.200     1.200 peak   662 spectrum    1 weight  0.10000E+01 volume  0.16903E-02 ppm1      0.741 ppm2      1.169 CV     1
 ASSI {  663}
   (  segid "    " and resid 26   and name HG1%)
   (  segid "    " and resid 69   and name HG1%)
      2.100     0.600     0.600 peak   663 spectrum    1 weight  0.10000E+01 volume  0.71283E-02 ppm1      0.743 ppm2      0.457 CV     1
 ASSI {  664}
   (  segid "    " and resid 26   and name HG1%)
   (  segid "    " and resid 26   and name HG2%)
      2.000     0.500     0.500 peak   664 spectrum    1 weight  0.10000E+01 volume  0.13052E-01 ppm1      0.742 ppm2      0.926 CV     1
 ASSI {  668}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HA  ))
      3.500     1.500     1.500 peak   668 spectrum    1 weight  0.10000E+01 volume  0.10873E-02 ppm1      1.532 ppm2      4.627 CV     1
 ASSI {  669}
   (( segid "    " and resid 27   and name HG1 ))
   (( segid "    " and resid 27   and name HA  ))
      2.900     1.100     1.100 peak   669 spectrum    1 weight  0.10000E+01 volume  0.22393E-02 ppm1      1.342 ppm2      4.626 CV     1
 OR {  669}
   (( segid "    " and resid 27   and name HG2 ))
   (( segid "    " and resid 27   and name HA  ))
 ASSI {  670}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HB1 ))
      2.400     0.700     0.700 peak   670 spectrum    1 weight  0.10000E+01 volume  0.30245E-02 ppm1      4.627 ppm2      2.059 CV     1
 ASSI {  672}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 28   and name HN  ))
      3.700     1.700     1.700 peak   672 spectrum    1 weight  0.10000E+01 volume  0.89644E-03 ppm1      1.540 ppm2      8.454 CV     1
 ASSI {  677}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HN  ))
      2.700     0.900     0.900 peak   677 spectrum    1 weight  0.10000E+01 volume  0.17798E-02 ppm1      3.583 ppm2      8.451 CV     1
 ASSI {  678}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 28   and name HN  ))
      3.500     1.500     1.500 peak   678 spectrum    1 weight  0.10000E+01 volume  0.24829E-02 ppm1      1.734 ppm2      8.448 CV     1
 ASSI {  680}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 69   and name HN  ))
      5.400     3.600     0.600 peak   680 spectrum    1 weight  0.10000E+01 volume  0.52492E-03 ppm1      3.583 ppm2      8.125 CV     1
 ASSI {  681}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      3.900     1.900     1.900 peak   681 spectrum    1 weight  0.10000E+01 volume  0.59247E-03 ppm1      3.588 ppm2      7.509 CV     1
 ASSI {  682}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 70   and name HN  ))
      3.200     1.200     1.200 peak   682 spectrum    1 weight  0.10000E+01 volume  0.25526E-02 ppm1      3.582 ppm2      9.411 CV     1
 ASSI {  683}
   (( segid "    " and resid 28   and name HG  ))
   (( segid "    " and resid 28   and name HN  ))
      2.600     0.800     0.800 peak   683 spectrum    1 weight  0.10000E+01 volume  0.26932E-02 ppm1      1.770 ppm2      8.455 CV     1
 ASSI {  685}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 70   and name HN  ))
      4.200     2.200     1.800 peak   685 spectrum    1 weight  0.10000E+01 volume  0.11763E-02 ppm1      0.810 ppm2      9.411 CV     1
 ASSI {  686}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 73   and name HN  ))
      4.600     2.600     1.400 peak   686 spectrum    1 weight  0.10000E+01 volume  0.43180E-03 ppm1      0.811 ppm2      8.635 CV     1
 ASSI {  687}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 4    and name HE22))
      3.700     1.700     1.700 peak   687 spectrum    1 weight  0.10000E+01 volume  0.96193E-03 ppm1      0.811 ppm2      7.508 CV     1
 ASSI {  688}
   (( segid "    " and resid 28   and name HG  ))
   (( segid "    " and resid 28   and name HA  ))
      3.100     1.200     1.200 peak   688 spectrum    1 weight  0.10000E+01 volume  0.12379E-02 ppm1      1.769 ppm2      3.578 CV     1
 ASSI {  689}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 70   and name HA2 ))
      3.700     1.700     1.700 peak   689 spectrum    1 weight  0.10000E+01 volume  0.42119E-03 ppm1      1.737 ppm2      3.800 CV     1
 ASSI {  690}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 70   and name HA2 ))
      5.000     3.100     1.000 peak   690 spectrum    1 weight  0.10000E+01 volume  0.40983E-03 ppm1      1.455 ppm2      3.782 CV     1
 ASSI {  691}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 28   and name HA  ))
      2.600     0.800     0.800 peak   691 spectrum    1 weight  0.10000E+01 volume  0.17104E-02 ppm1      1.736 ppm2      3.581 CV     1
 ASSI {  693}
   (( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 70   and name HA1 ))
      3.700     3.700     2.300 peak   693 spectrum    1 weight  0.10000E+01 volume  0.61953E-03 ppm1      1.736 ppm2      4.016 CV     1
 ASSI {  694}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 70   and name HA1 ))
      4.600     2.700     1.400 peak   694 spectrum    1 weight  0.10000E+01 volume  0.83532E-03 ppm1      1.466 ppm2      4.010 CV     1
 ASSI {  699}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 27   and name HA  ))
      4.100     2.100     1.900 peak   699 spectrum    1 weight  0.10000E+01 volume  0.44710E-03 ppm1      3.580 ppm2      4.630 CV     1
 ASSI {  700}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 68   and name HB  ))
      6.000     4.700     0.000 peak   700 spectrum    1 weight  0.10000E+01 volume  0.27014E-03 ppm1      3.584 ppm2      4.334 CV     1
 ASSI {  701}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 73   and name HB  ))
      3.500     1.500     1.500 peak   701 spectrum    1 weight  0.10000E+01 volume  0.12766E-02 ppm1      0.811 ppm2      4.183 CV     1
 ASSI {  703}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 70   and name HA2 ))
      2.700     0.900     0.900 peak   703 spectrum    1 weight  0.10000E+01 volume  0.45543E-02 ppm1      0.811 ppm2      3.795 CV     1
 ASSI {  705}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 28   and name HA  ))
      2.900     1.100     1.100 peak   705 spectrum    1 weight  0.10000E+01 volume  0.53709E-02 ppm1      0.812 ppm2      3.580 CV     1
 ASSI {  707}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 27   and name HB1 ))
      4.600     2.700     1.400 peak   707 spectrum    1 weight  0.10000E+01 volume  0.35741E-03 ppm1      3.582 ppm2      2.058 CV     1
 ASSI {  708}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 4    and name HG1 ))
      3.000     1.200     1.200 peak   708 spectrum    1 weight  0.10000E+01 volume  0.10056E-02 ppm1      0.811 ppm2      2.263 CV     1
 ASSI {  709}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 28   and name HG  ))
      2.400     0.700     0.700 peak   709 spectrum    1 weight  0.10000E+01 volume  0.49542E-02 ppm1      0.813 ppm2      1.755 CV     1
 OR {  709}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 28   and name HB1 ))
 ASSI {  711}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 28   and name HB2 ))
      2.700     0.900     0.900 peak   711 spectrum    1 weight  0.10000E+01 volume  0.38688E-02 ppm1      0.810 ppm2      1.466 CV     1
 ASSI {  712}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HB2 ))
      2.600     0.900     0.900 peak   712 spectrum    1 weight  0.10000E+01 volume  0.37009E-02 ppm1      3.583 ppm2      1.463 CV     1
 ASSI {  713}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HB1 ))
      2.400     0.700     0.700 peak   713 spectrum    1 weight  0.10000E+01 volume  0.36260E-02 ppm1      3.583 ppm2      1.745 CV     1
 OR {  713}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HG  ))
 ASSI {  715}
   (( segid "    " and resid 28   and name HA  ))
   (  segid "    " and resid 28   and name HD2%)
      2.800     1.000     1.000 peak   715 spectrum    1 weight  0.10000E+01 volume  0.11512E-02 ppm1      3.584 ppm2      0.913 CV     1
 ASSI {  717}
   (( segid "    " and resid 28   and name HA  ))
   (  segid "    " and resid 69   and name HG2%)
      2.000     0.500     0.500 peak   717 spectrum    1 weight  0.10000E+01 volume  0.46180E-02 ppm1      3.582 ppm2      0.654 CV     1
 ASSI {  718}
   (( segid "    " and resid 28   and name HA  ))
   (  segid "    " and resid 69   and name HG1%)
      4.600     2.700     1.400 peak   718 spectrum    1 weight  0.10000E+01 volume  0.12814E-02 ppm1      3.584 ppm2      0.455 CV     1
 ASSI {  721}
   (  segid "    " and resid 28   and name HD1%)
   (  segid "    " and resid 69   and name HG2%)
      3.800     1.800     1.800 peak   721 spectrum    1 weight  0.10000E+01 volume  0.32798E-02 ppm1      0.811 ppm2      0.688 CV     1
 ASSI {  722}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 4    and name HB2 ))
      4.100     2.100     1.900 peak   722 spectrum    1 weight  0.10000E+01 volume  0.76168E-03 ppm1      0.812 ppm2      2.016 CV     1
 ASSI {  725}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 29   and name HA  ))
      2.600     0.800     0.800 peak   725 spectrum    1 weight  0.10000E+01 volume  0.48093E-02 ppm1      2.779 ppm2      4.485 CV     1
 ASSI {  726}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HA  ))
      2.700     0.900     0.900 peak   726 spectrum    1 weight  0.10000E+01 volume  0.50057E-02 ppm1      2.596 ppm2      4.482 CV     1
 ASSI {  727}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HN  ))
      2.800     0.900     0.900 peak   727 spectrum    1 weight  0.10000E+01 volume  0.32483E-02 ppm1      4.486 ppm2      8.393 CV     1
 ASSI {  728}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      2.900     1.100     1.100 peak   728 spectrum    1 weight  0.10000E+01 volume  0.19694E-02 ppm1      4.484 ppm2      7.508 CV     1
 ASSI {  733}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 27   and name HN  ))
      4.300     2.300     1.700 peak   733 spectrum    1 weight  0.10000E+01 volume  0.75703E-03 ppm1      2.052 ppm2      6.371 CV     1
 ASSI {  734}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 27   and name HN  ))
      3.400     1.400     1.400 peak   734 spectrum    1 weight  0.10000E+01 volume  0.61098E-03 ppm1      1.370 ppm2      6.366 CV     1
 ASSI {  735}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      2.800     1.000     1.000 peak   735 spectrum    1 weight  0.10000E+01 volume  0.18120E-02 ppm1      4.407 ppm2      7.503 CV     1
 ASSI {  738}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 31   and name HN  ))
      2.000     0.500     0.500 peak   738 spectrum    1 weight  0.10000E+01 volume  0.76118E-02 ppm1      4.409 ppm2     10.186 CV     1
 ASSI {  739}
   (( segid "    " and resid 30   and name HD1 ))
   (( segid "    " and resid 30   and name HA  ))
      3.400     1.400     1.400 peak   739 spectrum    1 weight  0.10000E+01 volume  0.19921E-02 ppm1      1.562 ppm2      4.407 CV     1
 ASSI {  740}
   (( segid "    " and resid 30   and name HD2 ))
   (( segid "    " and resid 30   and name HA  ))
      2.700     0.900     0.900 peak   740 spectrum    1 weight  0.10000E+01 volume  0.16638E-02 ppm1      1.472 ppm2      4.406 CV     1
 ASSI {  742}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 30   and name HE1 ))
      2.800     1.000     1.000 peak   742 spectrum    1 weight  0.10000E+01 volume  0.87743E-03 ppm1      2.048 ppm2      3.028 CV     1
 ASSI {  743}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 35   and name HB2 ))
      3.200     1.300     1.300 peak   743 spectrum    1 weight  0.10000E+01 volume  0.58026E-03 ppm1      2.057 ppm2      2.713 CV     1
 ASSI {  745}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 35   and name HB2 ))
      4.400     2.400     1.600 peak   745 spectrum    1 weight  0.10000E+01 volume  0.68727E-03 ppm1      1.372 ppm2      2.726 CV     1
 ASSI {  746}
   (( segid "    " and resid 30   and name HG1 ))
   (( segid "    " and resid 27   and name HN  ))
      2.100     0.500     0.500 peak   746 spectrum    1 weight  0.10000E+01 volume  0.17438E-02 ppm1      1.801 ppm2      6.369 CV     1
 ASSI {  747}
   (( segid "    " and resid 30   and name HD1 ))
   (( segid "    " and resid 30   and name HN  ))
      4.500     2.500     1.500 peak   747 spectrum    1 weight  0.10000E+01 volume  0.73652E-03 ppm1      1.558 ppm2      7.507 CV     1
 ASSI {  748}
   (( segid "    " and resid 66   and name HG  ))
   (( segid "    " and resid 66   and name HA  ))
      3.700     1.700     1.700 peak   748 spectrum    1 weight  0.10000E+01 volume  0.65109E-03 ppm1      1.795 ppm2      4.504 CV     1
 ASSI {  749}
   (( segid "    " and resid 30   and name HG1 ))
   (( segid "    " and resid 30   and name HA  ))
      3.900     1.900     1.900 peak   749 spectrum    1 weight  0.10000E+01 volume  0.81915E-03 ppm1      1.795 ppm2      4.410 CV     1
 ASSI {  751}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 30   and name HA  ))
      3.000     1.100     1.100 peak   751 spectrum    1 weight  0.10000E+01 volume  0.11372E-02 ppm1      1.348 ppm2      4.407 CV     1
 ASSI {  752}
   (( segid "    " and resid 30   and name HG1 ))
   (( segid "    " and resid 26   and name HA  ))
      3.700     1.700     1.700 peak   752 spectrum    1 weight  0.10000E+01 volume  0.47725E-03 ppm1      1.802 ppm2      3.542 CV     1
 ASSI {  754}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 30   and name HA  ))
      2.700     0.900     0.900 peak   754 spectrum    1 weight  0.10000E+01 volume  0.11118E-02 ppm1      2.058 ppm2      4.405 CV     1
 ASSI {  755}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 31   and name HB2 ))
      4.400     2.400     1.600 peak   755 spectrum    1 weight  0.10000E+01 volume  0.78853E-03 ppm1      4.407 ppm2      3.851 CV     1
 ASSI {  756}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 35   and name HB2 ))
      3.600     1.600     1.600 peak   756 spectrum    1 weight  0.10000E+01 volume  0.67409E-03 ppm1      4.410 ppm2      2.717 CV     1
 ASSI {  757}
   (( segid "    " and resid 30   and name HD2 ))
   (( segid "    " and resid 30   and name HE1 ))
      2.700     0.900     0.900 peak   757 spectrum    1 weight  0.10000E+01 volume  0.16237E-02 ppm1      1.471 ppm2      3.019 CV     1
 ASSI {  758}
   (( segid "    " and resid 30   and name HD2 ))
   (( segid "    " and resid 30   and name HE2 ))
      3.400     1.500     1.500 peak   758 spectrum    1 weight  0.10000E+01 volume  0.12619E-02 ppm1      1.471 ppm2      2.961 CV     1
 ASSI {  759}
   (( segid "    " and resid 30   and name HD1 ))
   (( segid "    " and resid 30   and name HE2 ))
      2.700     0.900     0.900 peak   759 spectrum    1 weight  0.10000E+01 volume  0.17156E-02 ppm1      1.559 ppm2      2.960 CV     1
 ASSI {  760}
   (( segid "    " and resid 30   and name HD1 ))
   (( segid "    " and resid 30   and name HE1 ))
      3.200     1.300     1.300 peak   760 spectrum    1 weight  0.10000E+01 volume  0.19280E-02 ppm1      1.563 ppm2      3.019 CV     1
 ASSI {  761}
   (( segid "    " and resid 30   and name HG1 ))
   (( segid "    " and resid 30   and name HE2 ))
      2.800     1.000     1.000 peak   761 spectrum    1 weight  0.10000E+01 volume  0.13456E-02 ppm1      1.799 ppm2      2.960 CV     1
 ASSI {  762}
   (( segid "    " and resid 30   and name HG1 ))
   (( segid "    " and resid 30   and name HE1 ))
      3.100     1.200     1.200 peak   762 spectrum    1 weight  0.10000E+01 volume  0.15261E-02 ppm1      1.799 ppm2      3.023 CV     1
 ASSI {  763}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 30   and name HE1 ))
      3.000     1.100     1.100 peak   763 spectrum    1 weight  0.10000E+01 volume  0.24491E-02 ppm1      1.351 ppm2      3.026 CV     1
 ASSI {  764}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 30   and name HE2 ))
      3.400     1.400     1.400 peak   764 spectrum    1 weight  0.10000E+01 volume  0.13906E-02 ppm1      1.348 ppm2      2.953 CV     1
 ASSI {  765}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HE1 ))
      3.000     1.100     1.100 peak   765 spectrum    1 weight  0.10000E+01 volume  0.14214E-02 ppm1      4.408 ppm2      3.028 CV     1
 ASSI {  768}
   (( segid "    " and resid 30   and name HD2 ))
   (( segid "    " and resid 35   and name HB2 ))
      4.000     2.000     2.000 peak   768 spectrum    1 weight  0.10000E+01 volume  0.79415E-03 ppm1      1.469 ppm2      2.717 CV     1
 ASSI {  771}
   (( segid "    " and resid 30   and name HB1 ))
   (  segid "    " and resid 69   and name HG1%)
      3.600     1.600     1.600 peak   771 spectrum    1 weight  0.10000E+01 volume  0.13290E-02 ppm1      2.053 ppm2      0.449 CV     1
 ASSI {  775}
   (( segid "    " and resid 30   and name HG2 ))
   (( segid "    " and resid 35   and name HB2 ))
      5.100     3.300     0.900 peak   775 spectrum    1 weight  0.10000E+01 volume  0.37511E-03 ppm1      1.334 ppm2      2.726 CV     1
 ASSI {  776}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 26   and name HA  ))
      4.400     2.400     1.600 peak   776 spectrum    1 weight  0.10000E+01 volume  0.39010E-03 ppm1      2.052 ppm2      3.534 CV     1
 ASSI {  788}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 31   and name HN  ))
      3.000     1.100     1.100 peak   788 spectrum    1 weight  0.10000E+01 volume  0.23056E-02 ppm1      4.088 ppm2     10.192 CV     1
 ASSI {  789}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 31   and name HN  ))
      2.300     0.700     0.700 peak   789 spectrum    1 weight  0.10000E+01 volume  0.35114E-02 ppm1      3.856 ppm2     10.188 CV     1
 ASSI {  790}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 31   and name HA  ))
      2.600     0.900     0.900 peak   790 spectrum    1 weight  0.10000E+01 volume  0.19215E-02 ppm1      4.096 ppm2      4.919 CV     1
 ASSI {  791}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 31   and name HA  ))
      3.100     1.200     1.200 peak   791 spectrum    1 weight  0.10000E+01 volume  0.93724E-03 ppm1      3.850 ppm2      4.915 CV     1
 ASSI {  794}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
      2.200     0.600     0.600 peak   794 spectrum    1 weight  0.10000E+01 volume  0.38947E-02 ppm1      4.922 ppm2      8.176 CV     1
 ASSI {  795}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 68   and name HA  ))
      2.200     0.600     0.600 peak   795 spectrum    1 weight  0.10000E+01 volume  0.59509E-02 ppm1      4.919 ppm2      5.235 CV     1
 ASSI {  797}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 68   and name HA  ))
      5.100     3.300     0.900 peak   797 spectrum    1 weight  0.10000E+01 volume  0.35688E-03 ppm1      3.868 ppm2      5.209 CV     1
 ASSI {  798}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 32   and name HN  ))
      4.400     2.400     1.600 peak   798 spectrum    1 weight  0.10000E+01 volume  0.49520E-03 ppm1      3.850 ppm2      8.177 CV     1
 ASSI {  801}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 34   and name HB2 ))
      3.600     1.600     1.600 peak   801 spectrum    1 weight  0.10000E+01 volume  0.14850E-02 ppm1      4.090 ppm2      2.434 CV     1
 ASSI {  802}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 34   and name HB2 ))
      3.700     1.700     1.700 peak   802 spectrum    1 weight  0.10000E+01 volume  0.21415E-02 ppm1      3.854 ppm2      2.441 CV     1
 ASSI {  805}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 35   and name HB1 ))
      4.800     2.900     1.200 peak   805 spectrum    1 weight  0.10000E+01 volume  0.67456E-03 ppm1      3.858 ppm2      3.045 CV     1
 ASSI {  807}
   (( segid "    " and resid 31   and name HB2 ))
   (  segid "    " and resid 68   and name HG2%)
      3.700     1.800     1.800 peak   807 spectrum    1 weight  0.10000E+01 volume  0.74014E-03 ppm1      3.860 ppm2      1.049 CV     1
 ASSI {  810}
   (( segid "    " and resid 32   and name HB1 ))
   (  segid "    " and resid 32   and name HD% )
      2.700     0.900     0.900 peak   810 spectrum    1 weight  0.10000E+01 volume  0.29630E-02 ppm1      3.169 ppm2      7.174 CV     1
 ASSI {  811}
   (( segid "    " and resid 32   and name HB2 ))
   (  segid "    " and resid 32   and name HD% )
      2.600     0.800     0.800 peak   811 spectrum    1 weight  0.10000E+01 volume  0.21593E-02 ppm1      3.096 ppm2      7.174 CV     1
 ASSI {  812}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 32   and name HD% )
      2.500     0.800     0.800 peak   812 spectrum    1 weight  0.10000E+01 volume  0.29747E-02 ppm1      4.077 ppm2      7.176 CV     1
 ASSI {  815}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      3.400     1.400     1.400 peak   815 spectrum    1 weight  0.10000E+01 volume  0.91011E-03 ppm1      4.075 ppm2      8.607 CV     1
 ASSI {  816}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 32   and name HN  ))
      3.900     1.900     1.900 peak   816 spectrum    1 weight  0.10000E+01 volume  0.11409E-02 ppm1      3.168 ppm2      8.172 CV     1
 ASSI {  821}
   (  segid "    " and resid 32   and name HD% )
   (( segid "    " and resid 67   and name HA  ))
      3.700     1.800     1.800 peak   821 spectrum    1 weight  0.10000E+01 volume  0.47684E-03 ppm1      7.181 ppm2      4.478 CV     1
 ASSI {  828}
   (( segid "    " and resid 32   and name HB2 ))
   (  segid "    " and resid 43   and name HE% )
      5.500     3.800     0.500 peak   828 spectrum    1 weight  0.10000E+01 volume  0.12423E-03 ppm1      3.095 ppm2      1.434 CV     1
 ASSI {  831}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 36   and name HD1%)
      2.200     0.600     0.600 peak   831 spectrum    1 weight  0.10000E+01 volume  0.43748E-02 ppm1      4.077 ppm2      0.617 CV     1
 ASSI {  834}
   (( segid "    " and resid 33   and name HB  ))
   (( segid "    " and resid 33   and name HN  ))
      3.400     1.400     1.400 peak   834 spectrum    1 weight  0.10000E+01 volume  0.20140E-02 ppm1      4.180 ppm2      8.594 CV     1
 ASSI {  835}
   (( segid "    " and resid 33   and name HB  ))
   (( segid "    " and resid 33   and name HA  ))
      2.400     0.700     0.700 peak   835 spectrum    1 weight  0.10000E+01 volume  0.50722E-02 ppm1      4.181 ppm2      4.485 CV     1
 ASSI {  836}
   (( segid "    " and resid 33   and name HB  ))
   (  segid "    " and resid 33   and name HG2%)
      2.300     0.700     0.700 peak   836 spectrum    1 weight  0.10000E+01 volume  0.80860E-02 ppm1      4.183 ppm2      1.287 CV     1
 ASSI {  837}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 32   and name HB2 ))
      4.000     2.000     2.000 peak   837 spectrum    1 weight  0.10000E+01 volume  0.96065E-03 ppm1      4.484 ppm2      3.116 CV     1
 ASSI {  839}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 33   and name HG2%)
      2.400     0.700     0.700 peak   839 spectrum    1 weight  0.10000E+01 volume  0.73265E-02 ppm1      4.486 ppm2      1.289 CV     1
 ASSI {  840}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 38   and name HG1%)
      3.900     1.900     1.900 peak   840 spectrum    1 weight  0.10000E+01 volume  0.87652E-03 ppm1      4.486 ppm2      0.937 CV     1
 OR {  840}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 38   and name HG2%)
 ASSI {  841}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 38   and name HB  ))
      3.900     1.900     1.900 peak   841 spectrum    1 weight  0.10000E+01 volume  0.85074E-03 ppm1      4.491 ppm2      1.894 CV     1
 ASSI {  843}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 40   and name H41A))
      5.000     3.100     1.000 peak   843 spectrum    1 weight  0.10000E+01 volume  0.30544E-03 ppm1      1.293 ppm2      8.245 CV     1
 ASSI {  845}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 33   and name HN  ))
      2.900     1.000     1.000 peak   845 spectrum    1 weight  0.10000E+01 volume  0.22590E-02 ppm1      1.290 ppm2      8.594 CV     1
 ASSI {  849}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 32   and name HB2 ))
      3.500     1.500     1.500 peak   849 spectrum    1 weight  0.10000E+01 volume  0.10373E-02 ppm1      1.293 ppm2      3.075 CV     1
 ASSI {  850}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 32   and name HB1 ))
      3.300     1.400     1.400 peak   850 spectrum    1 weight  0.10000E+01 volume  0.93249E-03 ppm1      1.290 ppm2      3.161 CV     1
 ASSI {  853}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HA  ))
      3.000     1.100     1.100 peak   853 spectrum    1 weight  0.10000E+01 volume  0.15999E-02 ppm1      2.445 ppm2      4.598 CV     1
 ASSI {  854}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HB1 ))
      2.800     1.000     1.000 peak   854 spectrum    1 weight  0.10000E+01 volume  0.52623E-02 ppm1      4.598 ppm2      2.766 CV     1
 ASSI {  855}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 35   and name HN  ))
      3.100     1.200     1.200 peak   855 spectrum    1 weight  0.10000E+01 volume  0.58604E-03 ppm1      2.774 ppm2      7.672 CV     1
 ASSI {  857}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 31   and name HB1 ))
      3.100     1.200     1.200 peak   857 spectrum    1 weight  0.10000E+01 volume  0.75906E-03 ppm1      2.774 ppm2      4.078 CV     1
 ASSI {  859}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 31   and name HB2 ))
      2.900     1.100     1.100 peak   859 spectrum    1 weight  0.10000E+01 volume  0.13636E-02 ppm1      2.773 ppm2      3.847 CV     1
 ASSI {  863}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 36   and name HN  ))
      3.000     1.100     1.100 peak   863 spectrum    1 weight  0.10000E+01 volume  0.11839E-02 ppm1      2.721 ppm2      7.499 CV     1
 ASSI {  864}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      3.000     1.100     1.100 peak   864 spectrum    1 weight  0.10000E+01 volume  0.16421E-02 ppm1      5.018 ppm2      7.668 CV     1
 ASSI {  866}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 31   and name HN  ))
      3.800     1.800     1.800 peak   866 spectrum    1 weight  0.10000E+01 volume  0.19705E-02 ppm1      3.044 ppm2     10.187 CV     1
 ASSI {  867}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 31   and name HN  ))
      2.500     0.800     0.800 peak   867 spectrum    1 weight  0.10000E+01 volume  0.16078E-02 ppm1      2.721 ppm2     10.188 CV     1
 ASSI {  868}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HB2 ))
      2.700     0.900     0.900 peak   868 spectrum    1 weight  0.10000E+01 volume  0.48356E-02 ppm1      5.029 ppm2      2.711 CV     1
 ASSI {  873}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 36   and name HG  ))
      3.400     1.400     1.400 peak   873 spectrum    1 weight  0.10000E+01 volume  0.19454E-02 ppm1      3.041 ppm2      1.467 CV     1
 ASSI {  874}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 30   and name HB2 ))
      4.000     2.000     2.000 peak   874 spectrum    1 weight  0.10000E+01 volume  0.17924E-02 ppm1      3.044 ppm2      1.372 CV     1
 OR {  874}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 30   and name HG2 ))
 ASSI {  876}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 36   and name HG  ))
      2.600     0.800     0.800 peak   876 spectrum    1 weight  0.10000E+01 volume  0.23512E-02 ppm1      2.724 ppm2      1.468 CV     1
 ASSI {  877}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 30   and name HB2 ))
      3.800     1.800     1.800 peak   877 spectrum    1 weight  0.10000E+01 volume  0.16960E-02 ppm1      2.716 ppm2      1.357 CV     1
 OR {  877}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 30   and name HG2 ))
 ASSI {  878}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 30   and name HB1 ))
      3.500     1.500     1.500 peak   878 spectrum    1 weight  0.10000E+01 volume  0.71083E-03 ppm1      3.044 ppm2      2.057 CV     1
 ASSI {  880}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 35   and name HA  ))
      2.800     1.000     1.000 peak   880 spectrum    1 weight  0.10000E+01 volume  0.17520E-02 ppm1      3.041 ppm2      5.022 CV     1
 ASSI {  884}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HN  ))
      2.800     1.000     1.000 peak   884 spectrum    1 weight  0.10000E+01 volume  0.15202E-02 ppm1      4.358 ppm2      7.506 CV     1
 ASSI {  885}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 37   and name HN  ))
      3.600     1.600     1.600 peak   885 spectrum    1 weight  0.10000E+01 volume  0.71346E-03 ppm1      4.362 ppm2      7.295 CV     1
 ASSI {  888}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 36   and name HN  ))
      4.300     2.300     1.700 peak   888 spectrum    1 weight  0.10000E+01 volume  0.80411E-03 ppm1      0.613 ppm2      7.510 CV     1
 ASSI {  890}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 37   and name HN  ))
      4.400     2.400     1.600 peak   890 spectrum    1 weight  0.10000E+01 volume  0.47098E-03 ppm1      2.303 ppm2      7.285 CV     1
 ASSI {  891}
   (( segid "    " and resid 36   and name HB1 ))
   (  segid "    " and resid 32   and name HD% )
      4.400     2.400     1.600 peak   891 spectrum    1 weight  0.10000E+01 volume  0.54561E-03 ppm1      2.301 ppm2      7.179 CV     1
 ASSI {  893}
   (  segid "    " and resid 36   and name HD1%)
   (  segid "    " and resid 32   and name HD% )
      3.000     1.100     1.100 peak   893 spectrum    1 weight  0.10000E+01 volume  0.14154E-02 ppm1      0.618 ppm2      7.174 CV     1
 ASSI {  894}
   (  segid "    " and resid 36   and name HD1%)
   (  segid "    " and resid 32   and name HE% )
      3.800     1.800     1.800 peak   894 spectrum    1 weight  0.10000E+01 volume  0.55273E-03 ppm1      0.620 ppm2      6.987 CV     1
 ASSI {  895}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 27   and name HN  ))
      5.000     3.100     1.000 peak   895 spectrum    1 weight  0.10000E+01 volume  0.26730E-03 ppm1      0.618 ppm2      6.384 CV     1
 ASSI {  898}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 26   and name HA  ))
      3.300     1.300     1.300 peak   898 spectrum    1 weight  0.10000E+01 volume  0.10541E-02 ppm1      0.618 ppm2      3.541 CV     1
 ASSI {  900}
   (( segid "    " and resid 36   and name HG  ))
   (( segid "    " and resid 32   and name HA  ))
      3.500     1.600     1.600 peak   900 spectrum    1 weight  0.10000E+01 volume  0.56637E-03 ppm1      1.472 ppm2      4.075 CV     1
 ASSI {  902}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 32   and name HA  ))
      3.500     1.600     1.600 peak   902 spectrum    1 weight  0.10000E+01 volume  0.24325E-02 ppm1      2.308 ppm2      4.073 CV     1
 ASSI {  905}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HB1 ))
      2.500     0.800     0.800 peak   905 spectrum    1 weight  0.10000E+01 volume  0.23625E-02 ppm1      4.359 ppm2      2.309 CV     1
 ASSI {  906}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HB2 ))
      2.800     1.000     1.000 peak   906 spectrum    1 weight  0.10000E+01 volume  0.36750E-02 ppm1      4.361 ppm2      1.585 CV     1
 ASSI {  907}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HG  ))
      3.200     1.300     1.300 peak   907 spectrum    1 weight  0.10000E+01 volume  0.15775E-02 ppm1      4.359 ppm2      1.470 CV     1
 ASSI {  908}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 21   and name HG12))
      3.300     1.400     1.400 peak   908 spectrum    1 weight  0.10000E+01 volume  0.94467E-03 ppm1      4.363 ppm2      1.301 CV     1
 OR {  908}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 21   and name HG11))
 ASSI {  911}
   (( segid "    " and resid 36   and name HA  ))
   (  segid "    " and resid 36   and name HD2%)
      2.100     0.600     0.600 peak   911 spectrum    1 weight  0.10000E+01 volume  0.76056E-02 ppm1      4.360 ppm2      0.777 CV     1
 ASSI {  912}
   (( segid "    " and resid 36   and name HA  ))
   (  segid "    " and resid 36   and name HD1%)
      4.400     2.400     1.600 peak   912 spectrum    1 weight  0.10000E+01 volume  0.98487E-03 ppm1      4.363 ppm2      0.625 CV     1
 ASSI {  916}
   (( segid "    " and resid 36   and name HB2 ))
   (  segid "    " and resid 36   and name HD1%)
      2.700     0.900     0.900 peak   916 spectrum    1 weight  0.10000E+01 volume  0.28982E-02 ppm1      1.590 ppm2      0.618 CV     1
 ASSI {  917}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 36   and name HB1 ))
      2.500     0.800     0.800 peak   917 spectrum    1 weight  0.10000E+01 volume  0.33516E-02 ppm1      0.618 ppm2      2.302 CV     1
 ASSI {  918}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 30   and name HB1 ))
      3.500     1.600     1.600 peak   918 spectrum    1 weight  0.10000E+01 volume  0.96168E-03 ppm1      0.619 ppm2      2.048 CV     1
 ASSI {  919}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 30   and name HG1 ))
      5.400     3.600     0.600 peak   919 spectrum    1 weight  0.10000E+01 volume  0.15642E-03 ppm1      0.619 ppm2      1.809 CV     1
 ASSI {  921}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 36   and name HG  ))
      2.400     0.700     0.700 peak   921 spectrum    1 weight  0.10000E+01 volume  0.36244E-02 ppm1      0.616 ppm2      1.466 CV     1
 ASSI {  922}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 30   and name HB2 ))
      3.200     1.200     1.200 peak   922 spectrum    1 weight  0.10000E+01 volume  0.12647E-02 ppm1      0.617 ppm2      1.351 CV     1
 OR {  922}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 30   and name HG2 ))
 ASSI {  923}
   (  segid "    " and resid 36   and name HD1%)
   (  segid "    " and resid 15   and name HG2%)
      3.000     1.200     1.200 peak   923 spectrum    1 weight  0.10000E+01 volume  0.12634E-02 ppm1      0.616 ppm2      1.182 CV     1
 ASSI {  926}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 36   and name HN  ))
      3.400     1.400     1.400 peak   926 spectrum    1 weight  0.10000E+01 volume  0.14848E-02 ppm1      0.780 ppm2      7.501 CV     1
 ASSI {  927}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 27   and name HN  ))
      4.000     2.000     2.000 peak   927 spectrum    1 weight  0.10000E+01 volume  0.82614E-03 ppm1      0.781 ppm2      6.366 CV     1
 ASSI {  929}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 26   and name HA  ))
      2.600     0.900     0.900 peak   929 spectrum    1 weight  0.10000E+01 volume  0.20713E-02 ppm1      0.780 ppm2      3.539 CV     1
 ASSI {  930}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 35   and name HB1 ))
      3.400     1.500     1.500 peak   930 spectrum    1 weight  0.10000E+01 volume  0.10680E-02 ppm1      0.778 ppm2      3.035 CV     1
 ASSI {  931}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 35   and name HB2 ))
      3.200     1.300     1.300 peak   931 spectrum    1 weight  0.10000E+01 volume  0.16604E-02 ppm1      0.779 ppm2      2.706 CV     1
 ASSI {  932}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 25   and name HB2 ))
      2.500     2.500     3.500 peak   932 spectrum    1 weight  0.10000E+01 volume  0.12157E-02 ppm1      0.780 ppm2      2.589 CV     1
 ASSI {  933}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 36   and name HB1 ))
      2.700     0.900     0.900 peak   933 spectrum    1 weight  0.10000E+01 volume  0.20801E-02 ppm1      0.778 ppm2      2.301 CV     1
 ASSI {  934}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 30   and name HB1 ))
      2.600     0.800     0.800 peak   934 spectrum    1 weight  0.10000E+01 volume  0.14050E-02 ppm1      0.779 ppm2      2.053 CV     1
 ASSI {  935}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 30   and name HG1 ))
      3.100     1.200     1.200 peak   935 spectrum    1 weight  0.10000E+01 volume  0.13258E-02 ppm1      0.779 ppm2      1.802 CV     1
 ASSI {  936}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 36   and name HB2 ))
      3.000     1.100     1.100 peak   936 spectrum    1 weight  0.10000E+01 volume  0.50831E-02 ppm1      0.779 ppm2      1.578 CV     1
 ASSI {  937}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 36   and name HG  ))
      2.100     0.600     0.600 peak   937 spectrum    1 weight  0.10000E+01 volume  0.67843E-02 ppm1      0.780 ppm2      1.463 CV     1
 ASSI {  938}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 30   and name HB2 ))
      2.900     1.000     1.000 peak   938 spectrum    1 weight  0.10000E+01 volume  0.26698E-02 ppm1      0.780 ppm2      1.351 CV     1
 OR {  938}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 30   and name HG2 ))
 ASSI {  939}
   (  segid "    " and resid 36   and name HD1%)
   (  segid "    " and resid 69   and name HG1%)
      2.700     0.900     0.900 peak   939 spectrum    1 weight  0.10000E+01 volume  0.21769E-02 ppm1      0.619 ppm2      0.434 CV     1
 ASSI {  940}
   (  segid "    " and resid 36   and name HD2%)
   (  segid "    " and resid 69   and name HG1%)
      2.300     2.300     3.700 peak   940 spectrum    1 weight  0.10000E+01 volume  0.19180E-02 ppm1      0.779 ppm2      0.439 CV     1
 ASSI {  943}
   (  segid "    " and resid 36   and name HD2%)
   (  segid "    " and resid 21   and name HG2%)
      2.600     0.900     0.900 peak   943 spectrum    1 weight  0.10000E+01 volume  0.20846E-02 ppm1      0.777 ppm2      0.994 CV     1
 ASSI {  945}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 37   and name HN  ))
      2.000     0.500     0.500 peak   945 spectrum    1 weight  0.10000E+01 volume  0.90271E-02 ppm1      4.426 ppm2      7.284 CV     1
 ASSI {  946}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 37   and name HN  ))
      3.800     1.800     1.800 peak   946 spectrum    1 weight  0.10000E+01 volume  0.10275E-02 ppm1      3.094 ppm2      7.284 CV     1
 ASSI {  948}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 38   and name HN  ))
      2.400     0.700     0.700 peak   948 spectrum    1 weight  0.10000E+01 volume  0.37143E-02 ppm1      4.425 ppm2      8.044 CV     1
 ASSI {  951}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 37   and name HB1 ))
      2.700     0.900     0.900 peak   951 spectrum    1 weight  0.10000E+01 volume  0.36207E-02 ppm1      4.425 ppm2      3.088 CV     1
 ASSI {  952}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 37   and name HB2 ))
      2.700     0.900     0.900 peak   952 spectrum    1 weight  0.10000E+01 volume  0.35180E-02 ppm1      4.424 ppm2      2.418 CV     1
 ASSI {  958}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 38   and name HN  ))
      2.500     0.800     0.800 peak   958 spectrum    1 weight  0.10000E+01 volume  0.35429E-02 ppm1      1.894 ppm2      8.045 CV     1
 ASSI {  959}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HN  ))
      2.900     1.100     1.100 peak   959 spectrum    1 weight  0.10000E+01 volume  0.17154E-02 ppm1      3.959 ppm2      8.047 CV     1
 ASSI {  960}
   (  segid "    " and resid 38   and name HG1%)
   (( segid "    " and resid 38   and name HN  ))
      2.500     0.800     0.800 peak   960 spectrum    1 weight  0.10000E+01 volume  0.57823E-02 ppm1      0.942 ppm2      8.045 CV     1
 OR {  960}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 38   and name HN  ))
 ASSI {  962}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 39   and name HN  ))
      2.200     0.600     0.600 peak   962 spectrum    1 weight  0.10000E+01 volume  0.87809E-02 ppm1      3.955 ppm2      8.299 CV     1
 ASSI {  964}
   (  segid "    " and resid 38   and name HG1%)
   (  segid "    " and resid 32   and name HD% )
      2.700     0.900     0.900 peak   964 spectrum    1 weight  0.10000E+01 volume  0.26089E-02 ppm1      0.941 ppm2      7.175 CV     1
 OR {  964}
   (  segid "    " and resid 38   and name HG2%)
   (  segid "    " and resid 32   and name HD% )
 ASSI {  966}
   (( segid "    " and resid 63   and name HB  ))
   (( segid "    " and resid 64   and name HN  ))
      3.800     1.800     1.800 peak   966 spectrum    1 weight  0.10000E+01 volume  0.11679E-02 ppm1      1.904 ppm2      7.055 CV     1
 ASSI {  969}
   (  segid "    " and resid 38   and name HG1%)
   (( segid "    " and resid 37   and name HA  ))
      4.300     2.300     1.700 peak   969 spectrum    1 weight  0.10000E+01 volume  0.87833E-03 ppm1      0.947 ppm2      4.434 CV     1
 OR {  969}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 37   and name HA  ))
 ASSI {  974}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 38   and name HA  ))
      2.200     0.600     0.600 peak   974 spectrum    1 weight  0.10000E+01 volume  0.11659E-01 ppm1      0.938 ppm2      3.958 CV     1
 OR {  974}
   (  segid "    " and resid 38   and name HG1%)
   (( segid "    " and resid 38   and name HA  ))
 ASSI {  975}
   (( segid "    " and resid 63   and name HB  ))
   (( segid "    " and resid 63   and name HA  ))
      2.500     0.800     0.800 peak   975 spectrum    1 weight  0.10000E+01 volume  0.28716E-02 ppm1      1.905 ppm2      3.204 CV     1
 ASSI {  976}
   (  segid "    " and resid 38   and name HG1%)
   (( segid "    " and resid 32   and name HB1 ))
      3.100     1.200     1.200 peak   976 spectrum    1 weight  0.10000E+01 volume  0.14102E-02 ppm1      0.939 ppm2      3.171 CV     1
 OR {  976}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 32   and name HB1 ))
 ASSI {  978}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 39   and name HB1 ))
      3.500     1.500     1.500 peak   978 spectrum    1 weight  0.10000E+01 volume  0.97982E-03 ppm1      0.939 ppm2      3.068 CV     1
 OR {  978}
   (  segid "    " and resid 38   and name HG1%)
   (( segid "    " and resid 39   and name HB1 ))
 ASSI {  981}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 38   and name HB  ))
      2.100     0.500     0.500 peak   981 spectrum    1 weight  0.10000E+01 volume  0.11337E-01 ppm1      0.939 ppm2      1.892 CV     1
 OR {  981}
   (  segid "    " and resid 38   and name HG1%)
   (( segid "    " and resid 38   and name HB  ))
 ASSI {  984}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 39   and name HN  ))
      3.000     1.100     1.100 peak   984 spectrum    1 weight  0.10000E+01 volume  0.22078E-02 ppm1      2.770 ppm2      8.295 CV     1
 ASSI {  986}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 39   and name HA  ))
      2.700     0.900     0.900 peak   986 spectrum    1 weight  0.10000E+01 volume  0.30099E-02 ppm1      2.773 ppm2      4.645 CV     1
 ASSI {  987}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HB1 ))
      2.800     0.900     0.900 peak   987 spectrum    1 weight  0.10000E+01 volume  0.45265E-02 ppm1      4.645 ppm2      3.085 CV     1
 ASSI {  989}
   (( segid "    " and resid 39   and name HB1 ))
   (( segid "    " and resid 39   and name HN  ))
      3.600     1.600     1.600 peak   989 spectrum    1 weight  0.10000E+01 volume  0.16870E-02 ppm1      3.076 ppm2      8.296 CV     1
 ASSI {  990}
   (( segid "    " and resid 39   and name HB1 ))
   (( segid "    " and resid 38   and name HN  ))
      4.500     2.500     1.500 peak   990 spectrum    1 weight  0.10000E+01 volume  0.54674E-03 ppm1      3.089 ppm2      8.070 CV     1
 ASSI {  991}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
      2.900     1.000     1.000 peak   991 spectrum    1 weight  0.10000E+01 volume  0.31777E-02 ppm1      4.647 ppm2      8.973 CV     1
 ASSI {  992}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 38   and name HA  ))
      3.500     1.500     1.500 peak   992 spectrum    1 weight  0.10000E+01 volume  0.81550E-03 ppm1      2.765 ppm2      3.948 CV     1
 ASSI {  994}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 40   and name HN  ))
      3.300     1.300     1.300 peak   994 spectrum    1 weight  0.10000E+01 volume  0.14451E-02 ppm1      4.111 ppm2      8.977 CV     1
 ASSI {  995}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
      2.800     1.000     1.000 peak   995 spectrum    1 weight  0.10000E+01 volume  0.15236E-02 ppm1      4.102 ppm2      8.978 CV     1
 ASSI {  996}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 38   and name HN  ))
      3.800     1.800     1.800 peak   996 spectrum    1 weight  0.10000E+01 volume  0.80245E-03 ppm1      4.103 ppm2      8.061 CV     1
 ASSI {  997}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 38   and name HN  ))
      4.500     2.600     1.500 peak   997 spectrum    1 weight  0.10000E+01 volume  0.62627E-03 ppm1      4.154 ppm2      8.053 CV     1
 ASSI {  999}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 39   and name HN  ))
      4.600     2.600     1.400 peak   999 spectrum    1 weight  0.10000E+01 volume  0.85112E-03 ppm1      4.102 ppm2      8.291 CV     1
 ASSI { 1000}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name H28B))
      4.100     2.100     1.900 peak  1000 spectrum    1 weight  0.10000E+01 volume  0.46795E-03 ppm1      4.100 ppm2      3.279 CV     1
 ASSI { 1001}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 40   and name H28B))
      4.500     2.600     1.500 peak  1001 spectrum    1 weight  0.10000E+01 volume  0.33325E-03 ppm1      4.099 ppm2      3.274 CV     1
 ASSI { 1002}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name H28B))
      3.500     1.500     1.500 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.59268E-03 ppm1      4.144 ppm2      3.301 CV     1
 OR { 1002}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 40   and name H28B))
 ASSI { 1005}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 43   and name HB2 ))
      3.400     1.400     1.400 peak  1005 spectrum    1 weight  0.10000E+01 volume  0.91345E-03 ppm1      4.109 ppm2      1.822 CV     1
 ASSI { 1006}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 43   and name HG2 ))
      3.500     1.500     1.500 peak  1006 spectrum    1 weight  0.10000E+01 volume  0.10145E-02 ppm1      4.106 ppm2      2.215 CV     1
 OR { 1006}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 43   and name HG1 ))
 ASSI { 1007}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 43   and name HB1 ))
      2.900     1.000     1.000 peak  1007 spectrum    1 weight  0.10000E+01 volume  0.15164E-02 ppm1      4.104 ppm2      2.065 CV     1
 ASSI { 1008}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 43   and name HG2 ))
      4.600     2.700     1.400 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.52217E-03 ppm1      4.142 ppm2      2.243 CV     1
 OR { 1008}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 43   and name HG2 ))
 OR { 1008}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 43   and name HG1 ))
 OR { 1008}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 43   and name HG1 ))
 ASSI { 1009}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 43   and name HB1 ))
      4.300     2.300     1.700 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.53809E-03 ppm1      4.153 ppm2      2.059 CV     1
 ASSI { 1010}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 40   and name H30%)
      3.000     1.100     1.100 peak  1010 spectrum    1 weight  0.10000E+01 volume  0.17764E-02 ppm1      4.153 ppm2      0.873 CV     1
 OR { 1010}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 40   and name H31%)
 ASSI { 1011}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 40   and name H30%)
      3.200     1.300     1.300 peak  1011 spectrum    1 weight  0.10000E+01 volume  0.17773E-02 ppm1      4.106 ppm2      0.874 CV     1
 OR { 1011}
   (( segid "    " and resid 40   and name HB1 ))
   (  segid "    " and resid 40   and name H30%)
 OR { 1011}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 40   and name H31%)
 OR { 1011}
   (( segid "    " and resid 40   and name HB1 ))
   (  segid "    " and resid 40   and name H31%)
 ASSI { 1013}
   (( segid "    " and resid 41   and name HB1 ))
   (( segid "    " and resid 41   and name HN  ))
      2.600     2.600     3.400 peak  1013 spectrum    1 weight  0.10000E+01 volume  0.33419E-02 ppm1      1.884 ppm2      8.057 CV     1
 ASSI { 1014}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 41   and name HN  ))
      3.600     1.600     1.600 peak  1014 spectrum    1 weight  0.10000E+01 volume  0.19453E-02 ppm1      1.628 ppm2      8.056 CV     1
 ASSI { 1018}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 42   and name HN  ))
      3.200     1.300     1.300 peak  1018 spectrum    1 weight  0.10000E+01 volume  0.13128E-02 ppm1      4.280 ppm2      8.332 CV     1
 ASSI { 1019}
   (( segid "    " and resid 41   and name HG  ))
   (( segid "    " and resid 41   and name HN  ))
      2.400     0.700     0.700 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.19031E-02 ppm1      1.737 ppm2      8.057 CV     1
 ASSI { 1020}
   (  segid "    " and resid 41   and name HD2%)
   (( segid "    " and resid 41   and name HA  ))
      4.800     2.900     1.200 peak  1020 spectrum    1 weight  0.10000E+01 volume  0.93602E-03 ppm1      0.973 ppm2      4.289 CV     1
 ASSI { 1022}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 44   and name HN  ))
      3.800     1.800     1.800 peak  1022 spectrum    1 weight  0.10000E+01 volume  0.49052E-03 ppm1      4.290 ppm2      7.255 CV     1
 ASSI { 1023}
   (( segid "    " and resid 41   and name HB1 ))
   (( segid "    " and resid 41   and name HA  ))
      2.700     0.900     0.900 peak  1023 spectrum    1 weight  0.10000E+01 volume  0.22773E-02 ppm1      1.882 ppm2      4.278 CV     1
 ASSI { 1025}
   (( segid "    " and resid 41   and name HG  ))
   (( segid "    " and resid 41   and name HA  ))
      3.700     1.700     1.700 peak  1025 spectrum    1 weight  0.10000E+01 volume  0.13209E-02 ppm1      1.739 ppm2      4.276 CV     1
 ASSI { 1026}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 40   and name H28B))
      3.400     1.400     1.400 peak  1026 spectrum    1 weight  0.10000E+01 volume  0.71658E-03 ppm1      4.291 ppm2      3.316 CV     1
 ASSI { 1030}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HB2 ))
      2.600     0.800     0.800 peak  1030 spectrum    1 weight  0.10000E+01 volume  0.38120E-02 ppm1      4.281 ppm2      1.625 CV     1
 ASSI { 1031}
   (( segid "    " and resid 41   and name HB1 ))
   (( segid "    " and resid 41   and name HG  ))
      2.400     0.700     0.700 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.42019E-02 ppm1      1.882 ppm2      1.736 CV     1
 ASSI { 1032}
   (  segid "    " and resid 41   and name HD2%)
   (( segid "    " and resid 41   and name HB1 ))
      2.800     1.000     1.000 peak  1032 spectrum    1 weight  0.10000E+01 volume  0.18982E-02 ppm1      0.969 ppm2      1.889 CV     1
 ASSI { 1035}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 41   and name HA  ))
      3.100     1.200     1.200 peak  1035 spectrum    1 weight  0.10000E+01 volume  0.63776E-02 ppm1      0.909 ppm2      4.283 CV     1
 ASSI { 1036}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 40   and name H28A))
      4.800     2.900     1.200 peak  1036 spectrum    1 weight  0.10000E+01 volume  0.87556E-03 ppm1      0.904 ppm2      3.748 CV     1
 ASSI { 1037}
   (  segid "    " and resid 41   and name HD1%)
   (( segid "    " and resid 40   and name H28B))
      4.100     2.100     1.900 peak  1037 spectrum    1 weight  0.10000E+01 volume  0.19707E-02 ppm1      0.914 ppm2      3.298 CV     1
 ASSI { 1040}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 42   and name HN  ))
      3.000     1.100     1.100 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.14617E-02 ppm1      3.622 ppm2      8.324 CV     1
 ASSI { 1041}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HN  ))
      2.900     1.000     1.000 peak  1041 spectrum    1 weight  0.10000E+01 volume  0.18850E-02 ppm1      4.269 ppm2      8.328 CV     1
 ASSI { 1042}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 45   and name HN  ))
      3.400     1.500     1.500 peak  1042 spectrum    1 weight  0.10000E+01 volume  0.10836E-02 ppm1      4.272 ppm2      7.000 CV     1
 ASSI { 1043}
   (( segid "    " and resid 42   and name HB1 ))
   (( segid "    " and resid 42   and name HA  ))
      2.700     0.900     0.900 peak  1043 spectrum    1 weight  0.10000E+01 volume  0.28269E-02 ppm1      3.987 ppm2      4.268 CV     1
 ASSI { 1044}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 42   and name HA  ))
      2.800     1.000     1.000 peak  1044 spectrum    1 weight  0.10000E+01 volume  0.26397E-02 ppm1      3.624 ppm2      4.269 CV     1
 ASSI { 1047}
   (( segid "    " and resid 38   and name HA  ))
   (  segid "    " and resid 19   and name HB% )
      3.200     1.300     1.300 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.90992E-03 ppm1      3.973 ppm2      1.540 CV     1
 ASSI { 1048}
   (( segid "    " and resid 42   and name HB2 ))
   (  segid "    " and resid 19   and name HB% )
      2.900     2.900     3.100 peak  1048 spectrum    1 weight  0.10000E+01 volume  0.47422E-03 ppm1      3.620 ppm2      1.537 CV     1
 ASSI { 1049}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HB  ))
      3.100     1.200     1.200 peak  1049 spectrum    1 weight  0.10000E+01 volume  0.15095E-02 ppm1      3.970 ppm2      1.883 CV     1
 ASSI { 1050}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 45   and name HG2 ))
      4.100     2.100     1.900 peak  1050 spectrum    1 weight  0.10000E+01 volume  0.14671E-02 ppm1      4.276 ppm2      2.290 CV     1
 OR { 1050}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 45   and name HB1 ))
 ASSI { 1053}
   (( segid "    " and resid 42   and name HA  ))
   (  segid "    " and resid 41   and name HD2%)
      2.200     0.600     0.600 peak  1053 spectrum    1 weight  0.10000E+01 volume  0.24654E-02 ppm1      4.271 ppm2      0.953 CV     1
 ASSI { 1059}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      3.000     1.100     1.100 peak  1059 spectrum    1 weight  0.10000E+01 volume  0.12681E-02 ppm1      3.935 ppm2      8.113 CV     1
 ASSI { 1061}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
      4.000     2.000     2.000 peak  1061 spectrum    1 weight  0.10000E+01 volume  0.51511E-03 ppm1      3.938 ppm2      7.864 CV     1
 ASSI { 1062}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 44   and name HN  ))
      3.500     1.500     1.500 peak  1062 spectrum    1 weight  0.10000E+01 volume  0.66417E-03 ppm1      3.932 ppm2      7.248 CV     1
 ASSI { 1063}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 45   and name HN  ))
      3.800     1.800     1.800 peak  1063 spectrum    1 weight  0.10000E+01 volume  0.37483E-03 ppm1      3.936 ppm2      6.994 CV     1
 ASSI { 1066}
   (( segid "    " and resid 44   and name HB  ))
   (( segid "    " and resid 45   and name HN  ))
      2.600     0.900     0.900 peak  1066 spectrum    1 weight  0.10000E+01 volume  0.28313E-02 ppm1      2.235 ppm2      7.000 CV     1
 ASSI { 1072}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HG1 ))
      3.100     1.200     1.200 peak  1072 spectrum    1 weight  0.10000E+01 volume  0.24828E-02 ppm1      3.936 ppm2      2.232 CV     1
 OR { 1072}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HG2 ))
 ASSI { 1074}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HB2 ))
      2.600     0.800     0.800 peak  1074 spectrum    1 weight  0.10000E+01 volume  0.23422E-02 ppm1      3.935 ppm2      1.814 CV     1
 ASSI { 1075}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HB1 ))
      2.900     1.000     1.000 peak  1075 spectrum    1 weight  0.10000E+01 volume  0.22910E-02 ppm1      3.934 ppm2      2.062 CV     1
 ASSI { 1076}
   (( segid "    " and resid 43   and name HB1 ))
   (  segid "    " and resid 43   and name HE% )
      3.500     1.500     1.500 peak  1076 spectrum    1 weight  0.10000E+01 volume  0.57861E-03 ppm1      2.067 ppm2      1.427 CV     1
 ASSI { 1077}
   (( segid "    " and resid 43   and name HB2 ))
   (  segid "    " and resid 43   and name HE% )
      3.600     1.600     1.600 peak  1077 spectrum    1 weight  0.10000E+01 volume  0.70462E-03 ppm1      1.817 ppm2      1.418 CV     1
 ASSI { 1078}
   (( segid "    " and resid 43   and name HB2 ))
   (  segid "    " and resid 38   and name HG2%)
      4.000     2.000     2.000 peak  1078 spectrum    1 weight  0.10000E+01 volume  0.59861E-03 ppm1      1.817 ppm2      0.929 CV     1
 OR { 1078}
   (( segid "    " and resid 43   and name HB2 ))
   (  segid "    " and resid 38   and name HG1%)
 ASSI { 1079}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 41   and name HD2%)
      2.100     2.100     3.900 peak  1079 spectrum    1 weight  0.10000E+01 volume  0.34508E-02 ppm1      3.935 ppm2      0.963 CV     1
 ASSI { 1081}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 46   and name HG1%)
      4.000     2.000     2.000 peak  1081 spectrum    1 weight  0.10000E+01 volume  0.11251E-02 ppm1      3.936 ppm2      0.674 CV     1
 ASSI { 1083}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 44   and name HN  ))
      2.700     0.900     0.900 peak  1083 spectrum    1 weight  0.10000E+01 volume  0.21544E-02 ppm1      3.638 ppm2      7.250 CV     1
 ASSI { 1084}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
      3.700     1.700     1.700 peak  1084 spectrum    1 weight  0.10000E+01 volume  0.87415E-03 ppm1      3.641 ppm2      7.865 CV     1
 ASSI { 1086}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 44   and name HB  ))
      2.700     0.900     0.900 peak  1086 spectrum    1 weight  0.10000E+01 volume  0.37465E-02 ppm1      3.638 ppm2      2.256 CV     1
 ASSI { 1089}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 44   and name HN  ))
      2.300     0.700     0.700 peak  1089 spectrum    1 weight  0.10000E+01 volume  0.55360E-02 ppm1      1.131 ppm2      7.251 CV     1
 ASSI { 1090}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 45   and name HN  ))
      4.100     2.100     1.900 peak  1090 spectrum    1 weight  0.10000E+01 volume  0.13010E-02 ppm1      1.129 ppm2      6.998 CV     1
 ASSI { 1097}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 40   and name H42B))
      4.200     2.200     1.800 peak  1097 spectrum    1 weight  0.10000E+01 volume  0.80329E-03 ppm1      1.130 ppm2      3.297 CV     1
 ASSI { 1098}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 40   and name H42A))
      5.300     3.600     0.700 peak  1098 spectrum    1 weight  0.10000E+01 volume  0.31059E-03 ppm1      1.132 ppm2      3.108 CV     1
 ASSI { 1099}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 40   and name H43B))
      4.600     2.600     1.400 peak  1099 spectrum    1 weight  0.10000E+01 volume  0.47260E-03 ppm1      1.132 ppm2      2.956 CV     1
 ASSI { 1100}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 40   and name H43A))
      4.500     2.500     1.500 peak  1100 spectrum    1 weight  0.10000E+01 volume  0.10908E-02 ppm1      1.130 ppm2      2.837 CV     1
 ASSI { 1101}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 40   and name H38B))
      3.300     1.400     1.400 peak  1101 spectrum    1 weight  0.10000E+01 volume  0.10656E-02 ppm1      1.130 ppm2      2.461 CV     1
 OR { 1101}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 40   and name H38A))
 ASSI { 1104}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 42   and name HA  ))
      3.300     1.300     1.300 peak  1104 spectrum    1 weight  0.10000E+01 volume  0.27119E-02 ppm1      1.130 ppm2      4.273 CV     1
 ASSI { 1105}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 44   and name HA  ))
      2.400     0.700     0.700 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.57371E-02 ppm1      1.130 ppm2      3.630 CV     1
 ASSI { 1106}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 44   and name HB  ))
      2.200     0.600     0.600 peak  1106 spectrum    1 weight  0.10000E+01 volume  0.96059E-02 ppm1      1.130 ppm2      2.238 CV     1
 ASSI { 1109}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HN  ))
      2.800     0.900     0.900 peak  1109 spectrum    1 weight  0.10000E+01 volume  0.27555E-02 ppm1      4.072 ppm2      6.998 CV     1
 ASSI { 1110}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 45   and name HN  ))
      3.500     1.600     1.600 peak  1110 spectrum    1 weight  0.10000E+01 volume  0.22197E-02 ppm1      2.302 ppm2      7.000 CV     1
 ASSI { 1111}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 45   and name HN  ))
      2.700     0.900     0.900 peak  1111 spectrum    1 weight  0.10000E+01 volume  0.17040E-02 ppm1      2.167 ppm2      7.003 CV     1
 ASSI { 1112}
   (( segid "    " and resid 45   and name HG1 ))
   (( segid "    " and resid 45   and name HN  ))
      2.500     0.800     0.800 peak  1112 spectrum    1 weight  0.10000E+01 volume  0.22508E-02 ppm1      2.460 ppm2      7.001 CV     1
 ASSI { 1113}
   (( segid "    " and resid 45   and name HG2 ))
   (( segid "    " and resid 45   and name HN  ))
      3.300     1.400     1.400 peak  1113 spectrum    1 weight  0.10000E+01 volume  0.24168E-02 ppm1      2.290 ppm2      7.002 CV     1
 ASSI { 1115}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 46   and name HN  ))
      3.900     1.900     1.900 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.87028E-03 ppm1      2.300 ppm2      8.104 CV     1
 ASSI { 1117}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 42   and name HA  ))
      4.700     2.800     1.300 peak  1117 spectrum    1 weight  0.10000E+01 volume  0.84734E-03 ppm1      2.300 ppm2      4.274 CV     1
 ASSI { 1119}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 44   and name HG2%)
      3.700     1.700     1.700 peak  1119 spectrum    1 weight  0.10000E+01 volume  0.26778E-02 ppm1      4.071 ppm2      1.118 CV     1
 ASSI { 1121}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HG1 ))
      3.800     1.800     1.800 peak  1121 spectrum    1 weight  0.10000E+01 volume  0.13077E-02 ppm1      4.070 ppm2      2.457 CV     1
 ASSI { 1122}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HB1 ))
      2.300     0.600     0.600 peak  1122 spectrum    1 weight  0.10000E+01 volume  0.61594E-02 ppm1      4.072 ppm2      2.291 CV     1
 OR { 1122}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HG2 ))
 ASSI { 1123}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HB2 ))
      2.700     0.900     0.900 peak  1123 spectrum    1 weight  0.10000E+01 volume  0.46895E-02 ppm1      4.072 ppm2      2.163 CV     1
 ASSI { 1124}
   (( segid "    " and resid 45   and name HG2 ))
   (( segid "    " and resid 42   and name HA  ))
      4.500     2.600     1.500 peak  1124 spectrum    1 weight  0.10000E+01 volume  0.74064E-03 ppm1      2.291 ppm2      4.269 CV     1
 ASSI { 1125}
   (( segid "    " and resid 45   and name HG1 ))
   (( segid "    " and resid 42   and name HA  ))
      3.100     1.200     1.200 peak  1125 spectrum    1 weight  0.10000E+01 volume  0.71474E-03 ppm1      2.458 ppm2      4.262 CV     1
 ASSI { 1128}
   (( segid "    " and resid 45   and name HG1 ))
   (  segid "    " and resid 44   and name HG2%)
      5.100     3.300     0.900 peak  1128 spectrum    1 weight  0.10000E+01 volume  0.40524E-03 ppm1      2.444 ppm2      1.125 CV     1
 ASSI { 1130}
   (( segid "    " and resid 45   and name HG2 ))
   (  segid "    " and resid 44   and name HG2%)
      5.300     3.600     0.700 peak  1130 spectrum    1 weight  0.10000E+01 volume  0.41423E-03 ppm1      2.287 ppm2      1.117 CV     1
 ASSI { 1135}
   (( segid "    " and resid 46   and name HB  ))
   (( segid "    " and resid 46   and name HN  ))
      2.300     0.600     0.600 peak  1135 spectrum    1 weight  0.10000E+01 volume  0.56016E-02 ppm1      2.301 ppm2      8.115 CV     1
 ASSI { 1137}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HB  ))
      2.800     1.000     1.000 peak  1137 spectrum    1 weight  0.10000E+01 volume  0.23009E-02 ppm1      3.429 ppm2      2.302 CV     1
 ASSI { 1139}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      2.600     0.800     0.800 peak  1139 spectrum    1 weight  0.10000E+01 volume  0.23994E-02 ppm1      3.426 ppm2      8.115 CV     1
 ASSI { 1140}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
      3.200     1.200     1.200 peak  1140 spectrum    1 weight  0.10000E+01 volume  0.87940E-03 ppm1      3.436 ppm2      7.895 CV     1
 ASSI { 1144}
   (  segid "    " and resid 46   and name HG2%)
   (( segid "    " and resid 46   and name HN  ))
      2.100     0.600     0.600 peak  1144 spectrum    1 weight  0.10000E+01 volume  0.51121E-02 ppm1      0.983 ppm2      8.109 CV     1
 ASSI { 1145}
   (  segid "    " and resid 46   and name HG2%)
   (( segid "    " and resid 47   and name HN  ))
      4.100     2.100     1.900 peak  1145 spectrum    1 weight  0.10000E+01 volume  0.91177E-03 ppm1      0.988 ppm2      7.874 CV     1
 ASSI { 1147}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 47   and name HN  ))
      3.600     1.600     1.600 peak  1147 spectrum    1 weight  0.10000E+01 volume  0.10131E-02 ppm1      0.679 ppm2      7.870 CV     1
 ASSI { 1149}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 45   and name HN  ))
      4.400     2.500     1.600 peak  1149 spectrum    1 weight  0.10000E+01 volume  0.11032E-02 ppm1      0.679 ppm2      6.985 CV     1
 ASSI { 1157}
   (  segid "    " and resid 46   and name HG1%)
   (  segid "    " and resid 15   and name HG2%)
      2.600     0.800     0.800 peak  1157 spectrum    1 weight  0.10000E+01 volume  0.28126E-02 ppm1      0.679 ppm2      1.173 CV     1
 ASSI { 1159}
   (( segid "    " and resid 46   and name HB  ))
   (  segid "    " and resid 46   and name HG1%)
      2.100     0.500     0.500 peak  1159 spectrum    1 weight  0.10000E+01 volume  0.90889E-02 ppm1      2.299 ppm2      0.665 CV     1
 ASSI { 1160}
   (( segid "    " and resid 46   and name HB  ))
   (  segid "    " and resid 46   and name HG2%)
      2.100     0.500     0.500 peak  1160 spectrum    1 weight  0.10000E+01 volume  0.89703E-02 ppm1      2.305 ppm2      0.989 CV     1
 ASSI { 1161}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 14   and name HG2%)
      2.200     0.600     0.600 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.52345E-02 ppm1      3.432 ppm2      1.060 CV     1
 OR { 1161}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 14   and name HG12))
 ASSI { 1162}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 46   and name HG2%)
      2.300     0.600     0.600 peak  1162 spectrum    1 weight  0.10000E+01 volume  0.62424E-02 ppm1      3.431 ppm2      0.979 CV     1
 ASSI { 1164}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 46   and name HG1%)
      2.400     0.700     0.700 peak  1164 spectrum    1 weight  0.10000E+01 volume  0.51056E-02 ppm1      3.428 ppm2      0.670 CV     1
 ASSI { 1165}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
      2.800     1.000     1.000 peak  1165 spectrum    1 weight  0.10000E+01 volume  0.22109E-02 ppm1      3.332 ppm2      7.869 CV     1
 ASSI { 1166}
   (( segid "    " and resid 47   and name HB  ))
   (( segid "    " and resid 47   and name HN  ))
      2.400     0.700     0.700 peak  1166 spectrum    1 weight  0.10000E+01 volume  0.44260E-02 ppm1      2.290 ppm2      7.870 CV     1
 ASSI { 1167}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 47   and name HG2%)
      2.400     0.700     0.700 peak  1167 spectrum    1 weight  0.10000E+01 volume  0.57405E-02 ppm1      3.331 ppm2      0.993 CV     1
 ASSI { 1168}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 47   and name HG1%)
      2.500     0.800     0.800 peak  1168 spectrum    1 weight  0.10000E+01 volume  0.46789E-02 ppm1      3.329 ppm2      0.895 CV     1
 ASSI { 1170}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 40   and name H8% )
      2.700     0.900     0.900 peak  1170 spectrum    1 weight  0.10000E+01 volume  0.30846E-02 ppm1      3.329 ppm2      0.643 CV     1
 ASSI { 1171}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 47   and name HN  ))
      2.200     0.600     0.600 peak  1171 spectrum    1 weight  0.10000E+01 volume  0.49804E-02 ppm1      1.002 ppm2      7.870 CV     1
 ASSI { 1172}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 47   and name HN  ))
      4.400     2.400     1.600 peak  1172 spectrum    1 weight  0.10000E+01 volume  0.98703E-03 ppm1      0.903 ppm2      7.879 CV     1
 ASSI { 1175}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 48   and name HN  ))
      3.600     1.700     1.700 peak  1175 spectrum    1 weight  0.10000E+01 volume  0.70060E-03 ppm1      3.330 ppm2      7.777 CV     1
 ASSI { 1176}
   (( segid "    " and resid 47   and name HB  ))
   (( segid "    " and resid 48   and name HN  ))
      2.400     0.700     0.700 peak  1176 spectrum    1 weight  0.10000E+01 volume  0.26112E-02 ppm1      2.288 ppm2      7.783 CV     1
 ASSI { 1177}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 48   and name HN  ))
      4.500     2.500     1.500 peak  1177 spectrum    1 weight  0.10000E+01 volume  0.67796E-03 ppm1      1.001 ppm2      7.769 CV     1
 ASSI { 1178}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 48   and name HN  ))
      3.700     1.700     1.700 peak  1178 spectrum    1 weight  0.10000E+01 volume  0.12490E-02 ppm1      0.897 ppm2      7.787 CV     1
 ASSI { 1179}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 40   and name H2A ))
      4.000     2.000     2.000 peak  1179 spectrum    1 weight  0.10000E+01 volume  0.96539E-03 ppm1      1.002 ppm2      6.625 CV     1
 ASSI { 1180}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 40   and name H3A ))
      3.500     1.600     1.600 peak  1180 spectrum    1 weight  0.10000E+01 volume  0.14272E-02 ppm1      1.001 ppm2      6.007 CV     1
 ASSI { 1183}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 44   and name HA  ))
      2.800     1.000     1.000 peak  1183 spectrum    1 weight  0.10000E+01 volume  0.13030E-02 ppm1      1.004 ppm2      3.635 CV     1
 ASSI { 1184}
   (( segid "    " and resid 47   and name HB  ))
   (( segid "    " and resid 47   and name HA  ))
      3.000     1.100     1.100 peak  1184 spectrum    1 weight  0.10000E+01 volume  0.16096E-02 ppm1      2.283 ppm2      3.337 CV     1
 ASSI { 1187}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 51   and name HG1 ))
      2.800     1.000     1.000 peak  1187 spectrum    1 weight  0.10000E+01 volume  0.16915E-02 ppm1      0.902 ppm2      2.827 CV     1
 ASSI { 1188}
   (  segid "    " and resid 47   and name HG1%)
   (( segid "    " and resid 47   and name HB  ))
      2.200     0.600     0.600 peak  1188 spectrum    1 weight  0.10000E+01 volume  0.69307E-02 ppm1      0.899 ppm2      2.282 CV     1
 ASSI { 1190}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 47   and name HB  ))
      2.100     0.600     0.600 peak  1190 spectrum    1 weight  0.10000E+01 volume  0.68536E-02 ppm1      1.001 ppm2      2.281 CV     1
 ASSI { 1193}
   (( segid "    " and resid 48   and name HB  ))
   (( segid "    " and resid 49   and name HN  ))
      2.600     0.800     0.800 peak  1193 spectrum    1 weight  0.10000E+01 volume  0.29837E-02 ppm1      2.069 ppm2      7.926 CV     1
 ASSI { 1194}
   (( segid "    " and resid 48   and name HB  ))
   (( segid "    " and resid 48   and name HN  ))
      2.400     0.700     0.700 peak  1194 spectrum    1 weight  0.10000E+01 volume  0.42219E-02 ppm1      2.073 ppm2      7.787 CV     1
 ASSI { 1196}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 49   and name HN  ))
      3.800     1.800     1.800 peak  1196 spectrum    1 weight  0.10000E+01 volume  0.19487E-02 ppm1      1.119 ppm2      7.917 CV     1
 ASSI { 1197}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 48   and name HN  ))
      2.200     0.600     0.600 peak  1197 spectrum    1 weight  0.10000E+01 volume  0.73927E-02 ppm1      1.119 ppm2      7.786 CV     1
 ASSI { 1198}
   (  segid "    " and resid 48   and name HG1%)
   (( segid "    " and resid 48   and name HN  ))
      3.800     1.800     1.800 peak  1198 spectrum    1 weight  0.10000E+01 volume  0.22070E-02 ppm1      1.003 ppm2      7.785 CV     1
 ASSI { 1199}
   (  segid "    " and resid 48   and name HG1%)
   (( segid "    " and resid 49   and name HN  ))
      3.300     1.300     1.300 peak  1199 spectrum    1 weight  0.10000E+01 volume  0.20178E-02 ppm1      1.006 ppm2      7.924 CV     1
 ASSI { 1200}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 45   and name HA  ))
      2.700     0.900     0.900 peak  1200 spectrum    1 weight  0.10000E+01 volume  0.37730E-02 ppm1      1.121 ppm2      4.072 CV     1
 ASSI { 1201}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 48   and name HA  ))
      2.400     0.700     0.700 peak  1201 spectrum    1 weight  0.10000E+01 volume  0.71957E-02 ppm1      1.119 ppm2      3.917 CV     1
 ASSI { 1202}
   (( segid "    " and resid 48   and name HB  ))
   (( segid "    " and resid 45   and name HA  ))
      2.700     0.900     0.900 peak  1202 spectrum    1 weight  0.10000E+01 volume  0.26216E-02 ppm1      2.068 ppm2      4.062 CV     1
 ASSI { 1204}
   (  segid "    " and resid 48   and name HG1%)
   (( segid "    " and resid 49   and name HA  ))
      3.200     1.200     1.200 peak  1204 spectrum    1 weight  0.10000E+01 volume  0.15972E-02 ppm1      1.006 ppm2      4.244 CV     1
 ASSI { 1205}
   (  segid "    " and resid 48   and name HG1%)
   (( segid "    " and resid 48   and name HA  ))
      2.500     0.800     0.800 peak  1205 spectrum    1 weight  0.10000E+01 volume  0.57402E-02 ppm1      1.005 ppm2      3.921 CV     1
 ASSI { 1206}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 48   and name HB  ))
      2.200     0.600     0.600 peak  1206 spectrum    1 weight  0.10000E+01 volume  0.91083E-02 ppm1      1.119 ppm2      2.072 CV     1
 ASSI { 1209}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HB  ))
      2.800     0.900     0.900 peak  1209 spectrum    1 weight  0.10000E+01 volume  0.36160E-02 ppm1      3.920 ppm2      2.081 CV     1
 ASSI { 1210}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 51   and name HG1 ))
      3.500     1.500     1.500 peak  1210 spectrum    1 weight  0.10000E+01 volume  0.88464E-03 ppm1      3.923 ppm2      2.824 CV     1
 ASSI { 1214}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      2.700     0.900     0.900 peak  1214 spectrum    1 weight  0.10000E+01 volume  0.31148E-02 ppm1      4.239 ppm2      7.926 CV     1
 ASSI { 1215}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 49   and name HN  ))
      2.200     0.600     0.600 peak  1215 spectrum    1 weight  0.10000E+01 volume  0.82958E-02 ppm1      1.529 ppm2      7.925 CV     1
 ASSI { 1216}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      4.200     2.200     1.800 peak  1216 spectrum    1 weight  0.10000E+01 volume  0.50272E-03 ppm1      4.247 ppm2      8.214 CV     1
 ASSI { 1218}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 50   and name HN  ))
      2.500     0.800     0.800 peak  1218 spectrum    1 weight  0.10000E+01 volume  0.41526E-02 ppm1      1.528 ppm2      8.820 CV     1
 ASSI { 1220}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 48   and name HN  ))
      4.200     2.200     1.800 peak  1220 spectrum    1 weight  0.10000E+01 volume  0.78441E-03 ppm1      1.532 ppm2      7.802 CV     1
 ASSI { 1221}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 50   and name HA  ))
      3.800     1.800     1.800 peak  1221 spectrum    1 weight  0.10000E+01 volume  0.10131E-02 ppm1      1.529 ppm2      3.947 CV     1
 ASSI { 1222}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 49   and name HA  ))
      2.100     0.600     0.600 peak  1222 spectrum    1 weight  0.10000E+01 volume  0.98353E-02 ppm1      1.528 ppm2      4.240 CV     1
 ASSI { 1223}
   (  segid "    " and resid 1    and name HB% )
   (( segid "    " and resid 1    and name HA  ))
      2.600     0.800     0.800 peak  1223 spectrum    1 weight  0.10000E+01 volume  0.40230E-02 ppm1      1.518 ppm2      4.030 CV     1
 ASSI { 1224}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 46   and name HA  ))
      2.900     1.000     1.000 peak  1224 spectrum    1 weight  0.10000E+01 volume  0.31025E-02 ppm1      1.529 ppm2      3.430 CV     1
 ASSI { 1226}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 48   and name HB  ))
      3.600     1.600     1.600 peak  1226 spectrum    1 weight  0.10000E+01 volume  0.14909E-02 ppm1      1.527 ppm2      2.081 CV     1
 ASSI { 1231}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 14   and name HG2%)
      2.000     0.500     0.500 peak  1231 spectrum    1 weight  0.10000E+01 volume  0.10530E-01 ppm1      1.529 ppm2      1.062 CV     1
 OR { 1231}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 14   and name HG12))
 ASSI { 1232}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 46   and name HG2%)
      2.200     2.200     3.800 peak  1232 spectrum    1 weight  0.10000E+01 volume  0.24851E-02 ppm1      1.530 ppm2      0.961 CV     1
 ASSI { 1234}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 54   and name HE% )
      4.000     2.000     2.000 peak  1234 spectrum    1 weight  0.10000E+01 volume  0.58073E-03 ppm1      3.961 ppm2      7.141 CV     1
 ASSI { 1238}
   (( segid "    " and resid 51   and name HG2 ))
   (( segid "    " and resid 51   and name HN  ))
      3.400     1.500     1.500 peak  1238 spectrum    1 weight  0.10000E+01 volume  0.20274E-02 ppm1      2.305 ppm2      8.852 CV     1
 ASSI { 1239}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 51   and name HN  ))
      2.600     0.800     0.800 peak  1239 spectrum    1 weight  0.10000E+01 volume  0.25217E-02 ppm1      2.831 ppm2      8.846 CV     1
 ASSI { 1241}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 51   and name HN  ))
      2.700     0.900     0.900 peak  1241 spectrum    1 weight  0.10000E+01 volume  0.17489E-02 ppm1      2.112 ppm2      8.847 CV     1
 ASSI { 1242}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
      2.600     0.800     0.800 peak  1242 spectrum    1 weight  0.10000E+01 volume  0.26267E-02 ppm1      4.184 ppm2      8.847 CV     1
 ASSI { 1246}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      3.400     1.500     1.500 peak  1246 spectrum    1 weight  0.10000E+01 volume  0.72089E-03 ppm1      4.186 ppm2      7.701 CV     1
 ASSI { 1247}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 57   and name HA  ))
      4.400     2.400     1.600 peak  1247 spectrum    1 weight  0.10000E+01 volume  0.88261E-03 ppm1      2.829 ppm2      4.715 CV     1
 ASSI { 1250}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 51   and name HA  ))
      2.900     1.000     1.000 peak  1250 spectrum    1 weight  0.10000E+01 volume  0.20172E-02 ppm1      2.827 ppm2      4.185 CV     1
 ASSI { 1252}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 48   and name HA  ))
      4.000     2.000     2.000 peak  1252 spectrum    1 weight  0.10000E+01 volume  0.14645E-02 ppm1      2.469 ppm2      3.924 CV     1
 ASSI { 1253}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 48   and name HA  ))
      2.900     1.000     1.000 peak  1253 spectrum    1 weight  0.10000E+01 volume  0.12650E-02 ppm1      2.121 ppm2      3.909 CV     1
 ASSI { 1254}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 57   and name HA  ))
      4.600     2.700     1.400 peak  1254 spectrum    1 weight  0.10000E+01 volume  0.42781E-03 ppm1      4.181 ppm2      4.721 CV     1
 ASSI { 1256}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 51   and name HG1 ))
      3.000     1.100     1.100 peak  1256 spectrum    1 weight  0.10000E+01 volume  0.23137E-02 ppm1      2.467 ppm2      2.827 CV     1
 ASSI { 1257}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 51   and name HG1 ))
      2.700     0.900     0.900 peak  1257 spectrum    1 weight  0.10000E+01 volume  0.23979E-02 ppm1      2.111 ppm2      2.824 CV     1
 ASSI { 1258}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HB1 ))
      2.500     0.800     0.800 peak  1258 spectrum    1 weight  0.10000E+01 volume  0.26120E-02 ppm1      4.186 ppm2      2.466 CV     1
 ASSI { 1259}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HG2 ))
      2.500     0.800     0.800 peak  1259 spectrum    1 weight  0.10000E+01 volume  0.36587E-02 ppm1      4.189 ppm2      2.297 CV     1
 ASSI { 1260}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HB2 ))
      2.700     0.900     0.900 peak  1260 spectrum    1 weight  0.10000E+01 volume  0.44138E-02 ppm1      4.187 ppm2      2.108 CV     1
 ASSI { 1271}
   (( segid "    " and resid 51   and name HA  ))
   (  segid "    " and resid 56   and name HG1%)
      2.200     0.600     0.600 peak  1271 spectrum    1 weight  0.10000E+01 volume  0.34318E-02 ppm1      4.187 ppm2      0.935 CV     1
 ASSI { 1273}
   (( segid "    " and resid 51   and name HG2 ))
   (  segid "    " and resid 47   and name HG1%)
      3.400     1.500     1.500 peak  1273 spectrum    1 weight  0.10000E+01 volume  0.10851E-02 ppm1      2.303 ppm2      0.910 CV     1
 ASSI { 1275}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 52   and name HN  ))
      2.900     1.000     1.000 peak  1275 spectrum    1 weight  0.10000E+01 volume  0.28286E-02 ppm1      2.139 ppm2      7.701 CV     1
 ASSI { 1284}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 52   and name HA  ))
      2.800     1.000     1.000 peak  1284 spectrum    1 weight  0.10000E+01 volume  0.38591E-02 ppm1      2.138 ppm2      4.124 CV     1
 ASSI { 1285}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 52   and name HA  ))
      2.700     0.900     0.900 peak  1285 spectrum    1 weight  0.10000E+01 volume  0.28489E-02 ppm1      2.046 ppm2      4.123 CV     1
 ASSI { 1286}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 49   and name HA  ))
      3.100     1.200     1.200 peak  1286 spectrum    1 weight  0.10000E+01 volume  0.96839E-03 ppm1      2.056 ppm2      4.245 CV     1
 ASSI { 1287}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 49   and name HA  ))
      3.200     1.300     1.300 peak  1287 spectrum    1 weight  0.10000E+01 volume  0.14193E-02 ppm1      2.139 ppm2      4.241 CV     1
 ASSI { 1288}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      3.500     1.500     1.500 peak  1288 spectrum    1 weight  0.10000E+01 volume  0.82933E-03 ppm1      4.126 ppm2      8.210 CV     1
 ASSI { 1289}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HN  ))
      2.700     0.900     0.900 peak  1289 spectrum    1 weight  0.10000E+01 volume  0.25875E-02 ppm1      1.082 ppm2      8.204 CV     1
 ASSI { 1290}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 53   and name HN  ))
      2.500     0.800     0.800 peak  1290 spectrum    1 weight  0.10000E+01 volume  0.33663E-02 ppm1      1.616 ppm2      8.207 CV     1
 ASSI { 1291}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      2.700     0.900     0.900 peak  1291 spectrum    1 weight  0.10000E+01 volume  0.31037E-02 ppm1      3.910 ppm2      8.214 CV     1
 ASSI { 1292}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 53   and name HN  ))
      4.900     3.000     1.100 peak  1292 spectrum    1 weight  0.10000E+01 volume  0.65021E-03 ppm1      0.677 ppm2      8.211 CV     1
 ASSI { 1293}
   (( segid "    " and resid 53   and name HG2 ))
   (  segid "    " and resid 54   and name HD% )
      4.100     2.100     1.900 peak  1293 spectrum    1 weight  0.10000E+01 volume  0.38117E-03 ppm1      0.678 ppm2      7.465 CV     1
 OR { 1293}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 54   and name HZ  ))
 ASSI { 1297}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 53   and name HA  ))
      3.800     1.800     1.800 peak  1297 spectrum    1 weight  0.10000E+01 volume  0.15820E-02 ppm1      0.678 ppm2      3.915 CV     1
 ASSI { 1298}
   (( segid "    " and resid 53   and name HD1 ))
   (( segid "    " and resid 53   and name HA  ))
      3.300     1.400     1.400 peak  1298 spectrum    1 weight  0.10000E+01 volume  0.13664E-02 ppm1      2.880 ppm2      3.909 CV     1
 ASSI { 1300}
   (( segid "    " and resid 53   and name HD1 ))
   (( segid "    " and resid 53   and name HB1 ))
      4.000     2.000     2.000 peak  1300 spectrum    1 weight  0.10000E+01 volume  0.12198E-02 ppm1      2.882 ppm2      1.614 CV     1
 ASSI { 1301}
   (( segid "    " and resid 53   and name HD2 ))
   (( segid "    " and resid 53   and name HB1 ))
      3.900     1.900     1.900 peak  1301 spectrum    1 weight  0.10000E+01 volume  0.12289E-02 ppm1      2.704 ppm2      1.610 CV     1
 ASSI { 1303}
   (( segid "    " and resid 53   and name HD1 ))
   (( segid "    " and resid 53   and name HB2 ))
      3.200     1.200     1.200 peak  1303 spectrum    1 weight  0.10000E+01 volume  0.15835E-02 ppm1      2.885 ppm2      1.071 CV     1
 ASSI { 1304}
   (( segid "    " and resid 53   and name HD2 ))
   (( segid "    " and resid 53   and name HB2 ))
      2.800     1.000     1.000 peak  1304 spectrum    1 weight  0.10000E+01 volume  0.15134E-02 ppm1      2.706 ppm2      1.070 CV     1
 ASSI { 1305}
   (( segid "    " and resid 53   and name HD1 ))
   (( segid "    " and resid 53   and name HG1 ))
      2.800     1.000     1.000 peak  1305 spectrum    1 weight  0.10000E+01 volume  0.19289E-02 ppm1      2.880 ppm2      0.862 CV     1
 ASSI { 1307}
   (( segid "    " and resid 53   and name HD2 ))
   (( segid "    " and resid 53   and name HG2 ))
      2.700     0.900     0.900 peak  1307 spectrum    1 weight  0.10000E+01 volume  0.20748E-02 ppm1      2.705 ppm2      0.708 CV     1
 ASSI { 1308}
   (( segid "    " and resid 53   and name HD1 ))
   (( segid "    " and resid 53   and name HG2 ))
      2.700     0.900     0.900 peak  1308 spectrum    1 weight  0.10000E+01 volume  0.23641E-02 ppm1      2.881 ppm2      0.704 CV     1
 ASSI { 1310}
   (( segid "    " and resid 53   and name HD2 ))
   (  segid "    " and resid 54   and name HE% )
      3.000     3.000     3.000 peak  1310 spectrum    1 weight  0.10000E+01 volume  0.40792E-03 ppm1      2.694 ppm2      7.165 CV     1
 ASSI { 1311}
   (( segid "    " and resid 53   and name HD1 ))
   (  segid "    " and resid 54   and name HE% )
      3.000     3.000     3.000 peak  1311 spectrum    1 weight  0.10000E+01 volume  0.43667E-03 ppm1      2.886 ppm2      7.143 CV     1
 ASSI { 1312}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 53   and name HA  ))
      2.900     1.000     1.000 peak  1312 spectrum    1 weight  0.10000E+01 volume  0.34405E-02 ppm1      1.616 ppm2      3.918 CV     1
 ASSI { 1313}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HA  ))
      2.600     0.800     0.800 peak  1313 spectrum    1 weight  0.10000E+01 volume  0.25651E-02 ppm1      1.084 ppm2      3.928 CV     1
 ASSI { 1317}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HD2 ))
      2.800     1.000     1.000 peak  1317 spectrum    1 weight  0.10000E+01 volume  0.26488E-02 ppm1      3.901 ppm2      2.703 CV     1
 ASSI { 1318}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 53   and name HG1 ))
      2.500     0.800     0.800 peak  1318 spectrum    1 weight  0.10000E+01 volume  0.30918E-02 ppm1      1.616 ppm2      0.865 CV     1
 ASSI { 1319}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 53   and name HG2 ))
      2.500     0.800     0.800 peak  1319 spectrum    1 weight  0.10000E+01 volume  0.21109E-02 ppm1      1.615 ppm2      0.686 CV     1
 ASSI { 1321}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 54   and name HN  ))
      3.400     1.400     1.400 peak  1321 spectrum    1 weight  0.10000E+01 volume  0.16476E-02 ppm1      3.439 ppm2      8.136 CV     1
 ASSI { 1323}
   (( segid "    " and resid 54   and name HB1 ))
   (  segid "    " and resid 54   and name HD% )
      2.600     0.800     0.800 peak  1323 spectrum    1 weight  0.10000E+01 volume  0.41270E-02 ppm1      3.437 ppm2      7.464 CV     1
 ASSI { 1324}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 54   and name HA  ))
      2.500     0.800     0.800 peak  1324 spectrum    1 weight  0.10000E+01 volume  0.25719E-02 ppm1      3.438 ppm2      4.851 CV     1
 ASSI { 1325}
   (( segid "    " and resid 54   and name HB1 ))
   (  segid "    " and resid 56   and name HG1%)
      4.100     2.100     1.900 peak  1325 spectrum    1 weight  0.10000E+01 volume  0.16650E-02 ppm1      3.442 ppm2      0.937 CV     1
 ASSI { 1328}
   (( segid "    " and resid 54   and name HB2 ))
   (  segid "    " and resid 56   and name HG1%)
      2.800     1.000     1.000 peak  1328 spectrum    1 weight  0.10000E+01 volume  0.17002E-02 ppm1      2.750 ppm2      0.932 CV     1
 ASSI { 1331}
   (  segid "    " and resid 54   and name HD% )
   (( segid "    " and resid 54   and name HA  ))
      2.600     0.800     0.800 peak  1331 spectrum    1 weight  0.10000E+01 volume  0.36615E-02 ppm1      7.465 ppm2      4.851 CV     1
 ASSI { 1332}
   (( segid "    " and resid 54   and name HZ  ))
   (  segid "    " and resid 54   and name HE% )
      2.300     0.700     0.700 peak  1332 spectrum    1 weight  0.10000E+01 volume  0.46064E-02 ppm1      7.460 ppm2      7.128 CV     1
 ASSI { 1333}
   (  segid "    " and resid 54   and name HE% )
   (  segid "    " and resid 54   and name HD% )
      2.000     0.500     0.500 peak  1333 spectrum    1 weight  0.10000E+01 volume  0.91130E-02 ppm1      7.131 ppm2      7.462 CV     1
 OR { 1333}
   (  segid "    " and resid 54   and name HE% )
   (( segid "    " and resid 54   and name HZ  ))
 ASSI { 1335}
   (  segid "    " and resid 54   and name HD% )
   (( segid "    " and resid 54   and name HN  ))
      3.000     1.100     1.100 peak  1335 spectrum    1 weight  0.10000E+01 volume  0.13904E-02 ppm1      7.463 ppm2      8.135 CV     1
 ASSI { 1339}
   (( segid "    " and resid 54   and name HZ  ))
   (( segid "    " and resid 10   and name HA1 ))
      3.700     1.700     1.700 peak  1339 spectrum    1 weight  0.10000E+01 volume  0.37877E-03 ppm1      7.462 ppm2      4.075 CV     1
 ASSI { 1340}
   (( segid "    " and resid 54   and name HZ  ))
   (( segid "    " and resid 7    and name HA  ))
      2.800     1.000     1.000 peak  1340 spectrum    1 weight  0.10000E+01 volume  0.17813E-02 ppm1      7.460 ppm2      3.878 CV     1
 ASSI { 1345}
   (  segid "    " and resid 54   and name HE% )
   (( segid "    " and resid 53   and name HG2 ))
      3.100     1.200     1.200 peak  1345 spectrum    1 weight  0.10000E+01 volume  0.67815E-03 ppm1      7.130 ppm2      0.727 CV     1
 ASSI { 1349}
   (  segid "    " and resid 54   and name HD% )
   (( segid "    " and resid 54   and name HB2 ))
      2.200     0.600     0.600 peak  1349 spectrum    1 weight  0.10000E+01 volume  0.43920E-02 ppm1      7.464 ppm2      2.748 CV     1
 ASSI { 1351}
   (  segid "    " and resid 54   and name HD% )
   (( segid "    " and resid 53   and name HB2 ))
      2.800     1.000     1.000 peak  1351 spectrum    1 weight  0.10000E+01 volume  0.68477E-03 ppm1      7.467 ppm2      1.072 CV     1
 ASSI { 1352}
   (  segid "    " and resid 54   and name HD% )
   (( segid "    " and resid 53   and name HG1 ))
      2.900     1.000     1.000 peak  1352 spectrum    1 weight  0.10000E+01 volume  0.11722E-02 ppm1      7.465 ppm2      0.888 CV     1
 ASSI { 1353}
   (  segid "    " and resid 54   and name HD% )
   (( segid "    " and resid 53   and name HG2 ))
      3.900     1.900     1.900 peak  1353 spectrum    1 weight  0.10000E+01 volume  0.53387E-03 ppm1      7.458 ppm2      0.729 CV     1
 ASSI { 1356}
   (  segid "    " and resid 54   and name HD% )
   (  segid "    " and resid 54   and name HE% )
      2.100     0.500     0.500 peak  1356 spectrum    1 weight  0.10000E+01 volume  0.71530E-02 ppm1      7.465 ppm2      7.127 CV     1
 ASSI { 1358}
   (( segid "    " and resid 54   and name HZ  ))
   (( segid "    " and resid 11   and name HN  ))
      3.800     1.800     1.800 peak  1358 spectrum    1 weight  0.10000E+01 volume  0.38401E-03 ppm1      7.465 ppm2      9.239 CV     1
 ASSI { 1359}
   (  segid "    " and resid 54   and name HE% )
   (( segid "    " and resid 11   and name HN  ))
      4.000     2.000     2.000 peak  1359 spectrum    1 weight  0.10000E+01 volume  0.49201E-03 ppm1      7.139 ppm2      9.240 CV     1
 ASSI { 1360}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HN  ))
      3.200     1.300     1.300 peak  1360 spectrum    1 weight  0.10000E+01 volume  0.17655E-02 ppm1      2.548 ppm2      7.824 CV     1
 ASSI { 1361}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 55   and name HN  ))
      3.800     1.800     1.800 peak  1361 spectrum    1 weight  0.10000E+01 volume  0.14675E-02 ppm1      3.259 ppm2      7.830 CV     1
 ASSI { 1362}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HN  ))
      2.000     0.500     0.500 peak  1362 spectrum    1 weight  0.10000E+01 volume  0.13913E-01 ppm1      4.490 ppm2      7.826 CV     1
 ASSI { 1363}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 55   and name HA  ))
      2.700     0.900     0.900 peak  1363 spectrum    1 weight  0.10000E+01 volume  0.33204E-02 ppm1      3.261 ppm2      4.486 CV     1
 ASSI { 1364}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HA  ))
      2.800     1.000     1.000 peak  1364 spectrum    1 weight  0.10000E+01 volume  0.38632E-02 ppm1      2.552 ppm2      4.489 CV     1
 ASSI { 1365}
   (( segid "    " and resid 56   and name HB  ))
   (( segid "    " and resid 56   and name HN  ))
      2.900     1.100     1.100 peak  1365 spectrum    1 weight  0.10000E+01 volume  0.10423E-02 ppm1      2.018 ppm2      7.825 CV     1
 ASSI { 1366}
   (( segid "    " and resid 56   and name HB  ))
   (( segid "    " and resid 56   and name HA  ))
      2.500     0.800     0.800 peak  1366 spectrum    1 weight  0.10000E+01 volume  0.30882E-02 ppm1      2.017 ppm2      4.688 CV     1
 ASSI { 1367}
   (  segid "    " and resid 56   and name HG2%)
   (( segid "    " and resid 56   and name HN  ))
      3.700     1.700     1.700 peak  1367 spectrum    1 weight  0.10000E+01 volume  0.20541E-02 ppm1      0.976 ppm2      7.831 CV     1
 ASSI { 1370}
   (  segid "    " and resid 56   and name HG1%)
   (( segid "    " and resid 56   and name HN  ))
      2.500     0.800     0.800 peak  1370 spectrum    1 weight  0.10000E+01 volume  0.26215E-02 ppm1      0.927 ppm2      7.830 CV     1
 ASSI { 1373}
   (  segid "    " and resid 56   and name HG2%)
   (( segid "    " and resid 57   and name HN  ))
      2.400     2.400     3.600 peak  1373 spectrum    1 weight  0.10000E+01 volume  0.90527E-03 ppm1      0.974 ppm2      8.192 CV     1
 ASSI { 1375}
   (  segid "    " and resid 56   and name HG2%)
   (  segid "    " and resid 75   and name HE% )
      4.500     2.600     1.500 peak  1375 spectrum    1 weight  0.10000E+01 volume  0.51611E-03 ppm1      0.975 ppm2      6.555 CV     1
 ASSI { 1378}
   (  segid "    " and resid 56   and name HG2%)
   (( segid "    " and resid 56   and name HA  ))
      2.800     1.000     1.000 peak  1378 spectrum    1 weight  0.10000E+01 volume  0.19281E-02 ppm1      0.975 ppm2      4.697 CV     1
 ASSI { 1379}
   (  segid "    " and resid 56   and name HG2%)
   (( segid "    " and resid 80   and name HA  ))
      2.600     0.800     0.800 peak  1379 spectrum    1 weight  0.10000E+01 volume  0.21253E-02 ppm1      0.977 ppm2      4.404 CV     1
 ASSI { 1380}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 60   and name HA  ))
      3.200     1.000     1.000 peak  1380 spectrum    1 weight  0.10000E+01 volume  0.15736E-02 ppm1      0.977 ppm2      4.189 CV     1
 ASSI { 1381}
   (  segid "    " and resid 56   and name HG2%)
   (( segid "    " and resid 76   and name HA  ))
      2.900     1.100     1.100 peak  1381 spectrum    1 weight  0.10000E+01 volume  0.16905E-02 ppm1      0.975 ppm2      3.505 CV     1
 ASSI { 1385}
   (( segid "    " and resid 56   and name HB  ))
   (  segid "    " and resid 76   and name HG2%)
      3.500     1.500     1.500 peak  1385 spectrum    1 weight  0.10000E+01 volume  0.82233E-03 ppm1      2.013 ppm2      0.523 CV     1
 ASSI { 1390}
   (( segid "    " and resid 57   and name HD2 ))
   (( segid "    " and resid 57   and name HA  ))
      3.200     1.300     1.300 peak  1390 spectrum    1 weight  0.10000E+01 volume  0.15100E-02 ppm1      1.662 ppm2      4.714 CV     1
 OR { 1390}
   (( segid "    " and resid 57   and name HD1 ))
   (( segid "    " and resid 57   and name HA  ))
 ASSI { 1391}
   (( segid "    " and resid 57   and name HG1 ))
   (( segid "    " and resid 57   and name HA  ))
      3.700     1.700     1.700 peak  1391 spectrum    1 weight  0.10000E+01 volume  0.62359E-03 ppm1      1.393 ppm2      4.708 CV     1
 ASSI { 1392}
   (( segid "    " and resid 64   and name HG1 ))
   (( segid "    " and resid 64   and name HN  ))
      2.600     0.800     0.800 peak  1392 spectrum    1 weight  0.10000E+01 volume  0.26129E-02 ppm1      1.390 ppm2      7.054 CV     1
 OR { 1392}
   (( segid "    " and resid 64   and name HG2 ))
   (( segid "    " and resid 64   and name HN  ))
 ASSI { 1395}
   (( segid "    " and resid 57   and name HB1 ))
   (( segid "    " and resid 57   and name HA  ))
      2.500     0.800     0.800 peak  1395 spectrum    1 weight  0.10000E+01 volume  0.37964E-02 ppm1      1.688 ppm2      4.716 CV     1
 OR { 1395}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 57   and name HA  ))
 ASSI { 1396}
   (( segid "    " and resid 57   and name HB1 ))
   (( segid "    " and resid 57   and name HE1 ))
      4.600     2.600     1.400 peak  1396 spectrum    1 weight  0.10000E+01 volume  0.36591E-03 ppm1      1.689 ppm2      2.933 CV     1
 OR { 1396}
   (( segid "    " and resid 57   and name HB1 ))
   (( segid "    " and resid 57   and name HE2 ))
 OR { 1396}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 57   and name HE1 ))
 OR { 1396}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 57   and name HE2 ))
 ASSI { 1397}
   (( segid "    " and resid 57   and name HG2 ))
   (( segid "    " and resid 57   and name HA  ))
      3.300     1.400     1.400 peak  1397 spectrum    1 weight  0.10000E+01 volume  0.72157E-03 ppm1      1.336 ppm2      4.718 CV     1
 ASSI { 1398}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 58   and name HA  ))
      3.200     1.300     1.300 peak  1398 spectrum    1 weight  0.10000E+01 volume  0.90340E-03 ppm1      1.723 ppm2      4.486 CV     1
 ASSI { 1399}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HN  ))
      3.000     1.100     1.100 peak  1399 spectrum    1 weight  0.10000E+01 volume  0.10248E-02 ppm1      4.491 ppm2      9.923 CV     1
 ASSI { 1401}
   (( segid "    " and resid 58   and name HG11))
   (( segid "    " and resid 58   and name HA  ))
      3.200     1.300     1.300 peak  1401 spectrum    1 weight  0.10000E+01 volume  0.95843E-03 ppm1      1.559 ppm2      4.490 CV     1
 ASSI { 1404}
   (( segid "    " and resid 58   and name HA  ))
   (  segid "    " and resid 58   and name HD1%)
      4.100     2.100     1.900 peak  1404 spectrum    1 weight  0.10000E+01 volume  0.10837E-02 ppm1      4.492 ppm2      0.629 CV     1
 ASSI { 1405}
   (( segid "    " and resid 58   and name HG11))
   (( segid "    " and resid 58   and name HN  ))
      2.600     0.800     0.800 peak  1405 spectrum    1 weight  0.10000E+01 volume  0.17019E-02 ppm1      1.565 ppm2      9.927 CV     1
 ASSI { 1406}
   (( segid "    " and resid 58   and name HG12))
   (( segid "    " and resid 58   and name HN  ))
      4.400     2.400     1.600 peak  1406 spectrum    1 weight  0.10000E+01 volume  0.58922E-03 ppm1      0.836 ppm2      9.918 CV     1
 ASSI { 1407}
   (( segid "    " and resid 58   and name HG11))
   (  segid "    " and resid 75   and name HE% )
      4.700     2.800     1.300 peak  1407 spectrum    1 weight  0.10000E+01 volume  0.82421E-03 ppm1      1.568 ppm2      6.555 CV     1
 ASSI { 1408}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 63   and name HA  ))
      4.300     2.300     1.700 peak  1408 spectrum    1 weight  0.10000E+01 volume  0.18673E-03 ppm1      0.331 ppm2      3.210 CV     1
 ASSI { 1412}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 58   and name HB  ))
      2.900     1.100     1.100 peak  1412 spectrum    1 weight  0.10000E+01 volume  0.10907E-02 ppm1      0.331 ppm2      1.715 CV     1
 ASSI { 1413}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 58   and name HG11))
      4.900     3.000     1.100 peak  1413 spectrum    1 weight  0.10000E+01 volume  0.27892E-03 ppm1      0.327 ppm2      1.582 CV     1
 ASSI { 1415}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 59   and name HD2 ))
      2.100     0.500     0.500 peak  1415 spectrum    1 weight  0.10000E+01 volume  0.90774E-02 ppm1      4.495 ppm2      3.807 CV     1
 OR { 1415}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 59   and name HD1 ))
 ASSI { 1416}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HG12))
      2.600     0.900     0.900 peak  1416 spectrum    1 weight  0.10000E+01 volume  0.20205E-02 ppm1      4.492 ppm2      0.841 CV     1
 ASSI { 1417}
   (( segid "    " and resid 58   and name HA  ))
   (  segid "    " and resid 58   and name HG2%)
      2.400     0.700     0.700 peak  1417 spectrum    1 weight  0.10000E+01 volume  0.39072E-02 ppm1      4.496 ppm2      0.329 CV     1
 ASSI { 1422}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 47   and name HA  ))
      2.800     2.800     3.200 peak  1422 spectrum    1 weight  0.10000E+01 volume  0.62946E-03 ppm1      0.641 ppm2      3.331 CV     1
 ASSI { 1423}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 51   and name HG1 ))
      3.400     1.400     1.400 peak  1423 spectrum    1 weight  0.10000E+01 volume  0.89045E-03 ppm1      0.634 ppm2      2.825 CV     1
 ASSI { 1427}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 58   and name HB  ))
      2.400     0.700     0.700 peak  1427 spectrum    1 weight  0.10000E+01 volume  0.41201E-02 ppm1      0.636 ppm2      1.722 CV     1
 ASSI { 1428}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 58   and name HG11))
      2.100     0.600     0.600 peak  1428 spectrum    1 weight  0.10000E+01 volume  0.62942E-02 ppm1      0.636 ppm2      1.558 CV     1
 ASSI { 1429}
   (  segid "    " and resid 58   and name HD1%)
   (  segid "    " and resid 58   and name HG2%)
      2.200     0.600     0.600 peak  1429 spectrum    1 weight  0.10000E+01 volume  0.73019E-02 ppm1      0.637 ppm2      0.332 CV     1
 ASSI { 1430}
   (  segid "    " and resid 58   and name HD1%)
   (  segid "    " and resid 75   and name HD% )
      3.200     1.300     1.300 peak  1430 spectrum    1 weight  0.10000E+01 volume  0.10373E-02 ppm1      0.636 ppm2      6.824 CV     1
 ASSI { 1431}
   (  segid "    " and resid 58   and name HD1%)
   (  segid "    " and resid 75   and name HE% )
      3.500     1.500     1.500 peak  1431 spectrum    1 weight  0.10000E+01 volume  0.99667E-03 ppm1      0.638 ppm2      6.556 CV     1
 ASSI { 1432}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 58   and name HN  ))
      4.300     2.300     1.700 peak  1432 spectrum    1 weight  0.10000E+01 volume  0.72067E-03 ppm1      0.640 ppm2      9.917 CV     1
 ASSI { 1434}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 59   and name HA  ))
      3.200     1.300     1.300 peak  1434 spectrum    1 weight  0.10000E+01 volume  0.19601E-02 ppm1      1.943 ppm2      4.405 CV     1
 ASSI { 1436}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 59   and name HD2 ))
      3.200     1.300     1.300 peak  1436 spectrum    1 weight  0.10000E+01 volume  0.26238E-02 ppm1      1.946 ppm2      3.807 CV     1
 OR { 1436}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 59   and name HD1 ))
 ASSI { 1438}
   (( segid "    " and resid 59   and name HD1 ))
   (( segid "    " and resid 59   and name HB1 ))
      3.100     1.200     1.200 peak  1438 spectrum    1 weight  0.10000E+01 volume  0.40614E-02 ppm1      3.811 ppm2      2.395 CV     1
 OR { 1438}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 59   and name HB1 ))
 ASSI { 1439}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 58   and name HG12))
      4.600     2.700     1.400 peak  1439 spectrum    1 weight  0.10000E+01 volume  0.54814E-03 ppm1      3.815 ppm2      0.822 CV     1
 OR { 1439}
   (( segid "    " and resid 59   and name HD1 ))
   (( segid "    " and resid 58   and name HG12))
 ASSI { 1440}
   (( segid "    " and resid 59   and name HD2 ))
   (  segid "    " and resid 58   and name HD1%)
      5.600     3.900     0.400 peak  1440 spectrum    1 weight  0.10000E+01 volume  0.39444E-03 ppm1      3.809 ppm2      0.634 CV     1
 OR { 1440}
   (( segid "    " and resid 59   and name HD1 ))
   (  segid "    " and resid 58   and name HD1%)
 ASSI { 1441}
   (( segid "    " and resid 59   and name HD2 ))
   (  segid "    " and resid 58   and name HG2%)
      3.200     1.200     1.200 peak  1441 spectrum    1 weight  0.10000E+01 volume  0.23614E-02 ppm1      3.811 ppm2      0.324 CV     1
 OR { 1441}
   (( segid "    " and resid 59   and name HD1 ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI { 1442}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 59   and name HG2 ))
      2.200     0.600     0.600 peak  1442 spectrum    1 weight  0.10000E+01 volume  0.90693E-02 ppm1      3.810 ppm2      1.948 CV     1
 OR { 1442}
   (( segid "    " and resid 59   and name HD1 ))
   (( segid "    " and resid 59   and name HG2 ))
 OR { 1442}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 59   and name HB2 ))
 OR { 1442}
   (( segid "    " and resid 59   and name HD1 ))
   (( segid "    " and resid 59   and name HB2 ))
 ASSI { 1443}
   (( segid "    " and resid 59   and name HD1 ))
   (( segid "    " and resid 57   and name HB1 ))
      3.000     1.100     1.100 peak  1443 spectrum    1 weight  0.10000E+01 volume  0.92369E-03 ppm1      3.810 ppm2      1.681 CV     1
 OR { 1443}
   (( segid "    " and resid 59   and name HD1 ))
   (( segid "    " and resid 57   and name HB2 ))
 ASSI { 1444}
   (( segid "    " and resid 59   and name HD1 ))
   (( segid "    " and resid 58   and name HG11))
      4.800     2.900     1.200 peak  1444 spectrum    1 weight  0.10000E+01 volume  0.52005E-03 ppm1      3.804 ppm2      1.563 CV     1
 OR { 1444}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 58   and name HG11))
 ASSI { 1446}
   (( segid "    " and resid 59   and name HG1 ))
   (( segid "    " and resid 59   and name HB1 ))
      2.300     0.600     0.600 peak  1446 spectrum    1 weight  0.10000E+01 volume  0.47416E-02 ppm1      1.981 ppm2      2.390 CV     1
 ASSI { 1447}
   (( segid "    " and resid 59   and name HG2 ))
   (( segid "    " and resid 59   and name HB1 ))
      2.600     0.800     0.800 peak  1447 spectrum    1 weight  0.10000E+01 volume  0.62137E-02 ppm1      1.939 ppm2      2.386 CV     1
 ASSI { 1450}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 60   and name HN  ))
      2.400     0.700     0.700 peak  1450 spectrum    1 weight  0.10000E+01 volume  0.50235E-02 ppm1      4.403 ppm2      8.637 CV     1
 ASSI { 1451}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 60   and name HB1 ))
      4.500     2.600     1.500 peak  1451 spectrum    1 weight  0.10000E+01 volume  0.85068E-03 ppm1      4.408 ppm2      2.593 CV     1
 OR { 1451}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 60   and name HB2 ))
 ASSI { 1453}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HB2 ))
      2.900     1.000     1.000 peak  1453 spectrum    1 weight  0.10000E+01 volume  0.47107E-02 ppm1      4.406 ppm2      1.939 CV     1
 OR { 1453}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HG2 ))
 ASSI { 1454}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HB1 ))
      2.200     0.600     0.600 peak  1454 spectrum    1 weight  0.10000E+01 volume  0.64797E-02 ppm1      4.406 ppm2      2.386 CV     1
 ASSI { 1456}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 62   and name HN  ))
      4.400     2.400     1.600 peak  1456 spectrum    1 weight  0.10000E+01 volume  0.48206E-03 ppm1      3.812 ppm2      7.473 CV     1
 OR { 1456}
   (( segid "    " and resid 59   and name HD1 ))
   (( segid "    " and resid 62   and name HN  ))
 ASSI { 1457}
   (( segid "    " and resid 59   and name HD2 ))
   (  segid "    " and resid 75   and name HE% )
      4.600     2.600     1.400 peak  1457 spectrum    1 weight  0.10000E+01 volume  0.88820E-03 ppm1      3.813 ppm2      6.551 CV     1
 OR { 1457}
   (( segid "    " and resid 59   and name HD1 ))
   (  segid "    " and resid 75   and name HE% )
 ASSI { 1458}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 58   and name HA  ))
      2.000     0.500     0.500 peak  1458 spectrum    1 weight  0.10000E+01 volume  0.92563E-02 ppm1      3.811 ppm2      4.490 CV     1
 ASSI { 1460}
   (( segid "    " and resid 59   and name HD1 ))
   (( segid "    " and resid 58   and name HN  ))
      4.400     2.400     1.600 peak  1460 spectrum    1 weight  0.10000E+01 volume  0.33937E-03 ppm1      3.805 ppm2      9.930 CV     1
 OR { 1460}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 58   and name HN  ))
 ASSI { 1462}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 60   and name HN  ))
      2.700     0.900     0.900 peak  1462 spectrum    1 weight  0.10000E+01 volume  0.20306E-02 ppm1      4.188 ppm2      8.639 CV     1
 ASSI { 1465}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 63   and name HN  ))
      3.400     1.500     1.500 peak  1465 spectrum    1 weight  0.10000E+01 volume  0.93989E-03 ppm1      4.194 ppm2      7.606 CV     1
 ASSI { 1466}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 62   and name HN  ))
      3.900     1.900     1.900 peak  1466 spectrum    1 weight  0.10000E+01 volume  0.54527E-03 ppm1      4.197 ppm2      7.471 CV     1
 ASSI { 1467}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 60   and name HB1 ))
      2.100     0.600     0.600 peak  1467 spectrum    1 weight  0.10000E+01 volume  0.83950E-02 ppm1      4.193 ppm2      2.588 CV     1
 ASSI { 1468}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 59   and name HB2 ))
      3.400     1.500     1.500 peak  1468 spectrum    1 weight  0.10000E+01 volume  0.15748E-02 ppm1      4.190 ppm2      1.912 CV     1
 OR { 1468}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 59   and name HG2 ))
 ASSI { 1469}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 63   and name HG1%)
      2.300     0.700     0.700 peak  1469 spectrum    1 weight  0.10000E+01 volume  0.36868E-02 ppm1      4.190 ppm2      0.795 CV     1
 OR { 1469}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 63   and name HG2%)
 ASSI { 1472}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 61   and name HN  ))
      3.200     1.300     1.300 peak  1472 spectrum    1 weight  0.10000E+01 volume  0.15045E-02 ppm1      2.646 ppm2      8.635 CV     1
 ASSI { 1474}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 62   and name HN  ))
      3.300     1.400     1.400 peak  1474 spectrum    1 weight  0.10000E+01 volume  0.10625E-02 ppm1      4.317 ppm2      7.480 CV     1
 ASSI { 1479}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 64   and name HB2 ))
      4.500     2.500     1.500 peak  1479 spectrum    1 weight  0.10000E+01 volume  0.34034E-03 ppm1      4.323 ppm2      1.792 CV     1
 OR { 1479}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 64   and name HB1 ))
 ASSI { 1480}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 64   and name HD1 ))
      3.300     1.400     1.400 peak  1480 spectrum    1 weight  0.10000E+01 volume  0.88261E-03 ppm1      4.325 ppm2      1.679 CV     1
 OR { 1480}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 64   and name HD2 ))
 ASSI { 1481}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 64   and name HG1 ))
      3.300     1.400     1.400 peak  1481 spectrum    1 weight  0.10000E+01 volume  0.10324E-02 ppm1      4.318 ppm2      1.386 CV     1
 OR { 1481}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 64   and name HG2 ))
 ASSI { 1482}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 64   and name HE1 ))
      4.000     2.000     2.000 peak  1482 spectrum    1 weight  0.10000E+01 volume  0.44020E-03 ppm1      4.326 ppm2      3.003 CV     1
 OR { 1482}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 64   and name HE2 ))
 ASSI { 1483}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HB1 ))
      2.500     0.800     0.800 peak  1483 spectrum    1 weight  0.10000E+01 volume  0.65458E-02 ppm1      4.323 ppm2      2.646 CV     1
 ASSI { 1484}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HB2 ))
      2.700     0.900     0.900 peak  1484 spectrum    1 weight  0.10000E+01 volume  0.40911E-02 ppm1      4.322 ppm2      2.481 CV     1
 ASSI { 1485}
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 62   and name HN  ))
      2.400     0.700     0.700 peak  1485 spectrum    1 weight  0.10000E+01 volume  0.41145E-02 ppm1      2.403 ppm2      7.476 CV     1
 OR { 1485}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 62   and name HN  ))
 ASSI { 1486}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HB2 ))
      2.600     0.800     0.800 peak  1486 spectrum    1 weight  0.10000E+01 volume  0.40108E-02 ppm1      4.664 ppm2      2.401 CV     1
 OR { 1486}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HB1 ))
 ASSI { 1487}
   (( segid "    " and resid 62   and name HB1 ))
   (  segid "    " and resid 58   and name HG2%)
      2.700     0.900     0.900 peak  1487 spectrum    1 weight  0.10000E+01 volume  0.26000E-02 ppm1      2.404 ppm2      0.326 CV     1
 OR { 1487}
   (( segid "    " and resid 62   and name HB2 ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI { 1488}
   (( segid "    " and resid 62   and name HB2 ))
   (  segid "    " and resid 66   and name HD2%)
      3.800     1.800     1.800 peak  1488 spectrum    1 weight  0.10000E+01 volume  0.83242E-03 ppm1      2.403 ppm2      0.620 CV     1
 OR { 1488}
   (( segid "    " and resid 62   and name HB1 ))
   (  segid "    " and resid 66   and name HD2%)
 ASSI { 1489}
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 58   and name HG12))
      4.600     2.600     1.400 peak  1489 spectrum    1 weight  0.10000E+01 volume  0.51540E-03 ppm1      2.404 ppm2      0.814 CV     1
 OR { 1489}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 58   and name HG12))
 ASSI { 1490}
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 59   and name HB2 ))
      3.000     1.100     1.100 peak  1490 spectrum    1 weight  0.10000E+01 volume  0.20993E-02 ppm1      2.403 ppm2      1.959 CV     1
 OR { 1490}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 59   and name HB2 ))
 ASSI { 1491}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 63   and name HA  ))
      3.900     1.900     1.900 peak  1491 spectrum    1 weight  0.10000E+01 volume  0.52189E-03 ppm1      2.405 ppm2      3.206 CV     1
 OR { 1491}
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 63   and name HA  ))
 ASSI { 1493}
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 63   and name HN  ))
      3.100     1.200     1.200 peak  1493 spectrum    1 weight  0.10000E+01 volume  0.18937E-02 ppm1      2.406 ppm2      7.598 CV     1
 OR { 1493}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 63   and name HN  ))
 ASSI { 1494}
   (( segid "    " and resid 62   and name HB2 ))
   (  segid "    " and resid 75   and name HD% )
      4.800     2.900     1.200 peak  1494 spectrum    1 weight  0.10000E+01 volume  0.60963E-03 ppm1      2.408 ppm2      6.819 CV     1
 OR { 1494}
   (( segid "    " and resid 62   and name HB1 ))
   (  segid "    " and resid 75   and name HD% )
 ASSI { 1496}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 66   and name HN  ))
      3.600     1.700     1.700 peak  1496 spectrum    1 weight  0.10000E+01 volume  0.12547E-02 ppm1      3.217 ppm2      7.723 CV     1
 ASSI { 1497}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HN  ))
      2.700     0.900     0.900 peak  1497 spectrum    1 weight  0.10000E+01 volume  0.23623E-02 ppm1      3.213 ppm2      7.596 CV     1
 ASSI { 1498}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 65   and name HN  ))
      3.700     1.700     1.700 peak  1498 spectrum    1 weight  0.10000E+01 volume  0.44082E-03 ppm1      3.211 ppm2      7.276 CV     1
 ASSI { 1499}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 64   and name HN  ))
      3.400     1.400     1.400 peak  1499 spectrum    1 weight  0.10000E+01 volume  0.79674E-03 ppm1      3.212 ppm2      7.045 CV     1
 ASSI { 1501}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 63   and name HN  ))
      2.700     0.900     0.900 peak  1501 spectrum    1 weight  0.10000E+01 volume  0.17817E-02 ppm1      0.781 ppm2      7.598 CV     1
 ASSI { 1503}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 64   and name HN  ))
      4.500     2.500     1.500 peak  1503 spectrum    1 weight  0.10000E+01 volume  0.39269E-03 ppm1      0.827 ppm2      7.053 CV     1
 ASSI { 1504}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 64   and name HN  ))
      3.100     1.200     1.200 peak  1504 spectrum    1 weight  0.10000E+01 volume  0.12990E-02 ppm1      0.780 ppm2      7.050 CV     1
 ASSI { 1505}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 40   and name H3A ))
      3.400     1.400     1.400 peak  1505 spectrum    1 weight  0.10000E+01 volume  0.50035E-03 ppm1      0.828 ppm2      6.007 CV     1
 ASSI { 1506}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 40   and name H2A ))
      4.600     2.700     1.400 peak  1506 spectrum    1 weight  0.10000E+01 volume  0.29654E-03 ppm1      0.830 ppm2      6.627 CV     1
 ASSI { 1507}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 40   and name H3A ))
      4.300     2.300     1.700 peak  1507 spectrum    1 weight  0.10000E+01 volume  0.55345E-03 ppm1      0.779 ppm2      6.022 CV     1
 ASSI { 1508}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 40   and name H2A ))
      4.400     2.400     1.600 peak  1508 spectrum    1 weight  0.10000E+01 volume  0.44685E-03 ppm1      0.779 ppm2      6.612 CV     1
 ASSI { 1509}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 60   and name HA  ))
      4.500     2.500     1.500 peak  1509 spectrum    1 weight  0.10000E+01 volume  0.12879E-02 ppm1      0.829 ppm2      4.185 CV     1
 ASSI { 1510}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 60   and name HA  ))
      2.400     0.700     0.700 peak  1510 spectrum    1 weight  0.10000E+01 volume  0.23041E-02 ppm1      0.780 ppm2      4.187 CV     1
 ASSI { 1511}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 64   and name HA  ))
      3.200     1.300     1.300 peak  1511 spectrum    1 weight  0.10000E+01 volume  0.10665E-02 ppm1      0.778 ppm2      4.059 CV     1
 ASSI { 1512}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 63   and name HA  ))
      3.400     1.400     1.400 peak  1512 spectrum    1 weight  0.10000E+01 volume  0.18167E-02 ppm1      0.781 ppm2      3.210 CV     1
 ASSI { 1513}
   (( segid "    " and resid 63   and name HB  ))
   (( segid "    " and resid 60   and name HA  ))
      4.300     2.300     1.700 peak  1513 spectrum    1 weight  0.10000E+01 volume  0.39924E-03 ppm1      1.912 ppm2      4.190 CV     1
 ASSI { 1515}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 66   and name HB1 ))
      4.600     2.600     1.400 peak  1515 spectrum    1 weight  0.10000E+01 volume  0.90044E-03 ppm1      3.211 ppm2      2.229 CV     1
 ASSI { 1517}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 66   and name HG  ))
      2.400     0.700     0.700 peak  1517 spectrum    1 weight  0.10000E+01 volume  0.36007E-02 ppm1      3.216 ppm2      1.788 CV     1
 ASSI { 1519}
   (( segid "    " and resid 63   and name HA  ))
   (  segid "    " and resid 63   and name HG2%)
      2.400     0.700     0.700 peak  1519 spectrum    1 weight  0.10000E+01 volume  0.47347E-02 ppm1      3.216 ppm2      0.825 CV     1
 ASSI { 1522}
   (( segid "    " and resid 63   and name HB  ))
   (  segid "    " and resid 63   and name HG1%)
      2.400     0.700     0.700 peak  1522 spectrum    1 weight  0.10000E+01 volume  0.39250E-02 ppm1      1.905 ppm2      0.807 CV     1
 OR { 1522}
   (( segid "    " and resid 63   and name HB  ))
   (  segid "    " and resid 63   and name HG2%)
 ASSI { 1524}
   (( segid "    " and resid 63   and name HB  ))
   (  segid "    " and resid 58   and name HG2%)
      2.800     1.000     1.000 peak  1524 spectrum    1 weight  0.10000E+01 volume  0.16453E-02 ppm1      1.904 ppm2      0.324 CV     1
 ASSI { 1525}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 63   and name HB  ))
      2.500     0.800     0.800 peak  1525 spectrum    1 weight  0.10000E+01 volume  0.25387E-02 ppm1      0.828 ppm2      1.905 CV     1
 ASSI { 1526}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 63   and name HB  ))
      2.500     0.800     0.800 peak  1526 spectrum    1 weight  0.10000E+01 volume  0.31057E-02 ppm1      0.780 ppm2      1.896 CV     1
 ASSI { 1533}
   (  segid "    " and resid 63   and name HG1%)
   (  segid "    " and resid 58   and name HG2%)
      3.800     1.800     1.800 peak  1533 spectrum    1 weight  0.10000E+01 volume  0.12745E-02 ppm1      0.780 ppm2      0.334 CV     1
 ASSI { 1538}
   (  segid "    " and resid 63   and name HG2%)
   (  segid "    " and resid 58   and name HG2%)
      2.800     0.900     0.900 peak  1538 spectrum    1 weight  0.10000E+01 volume  0.41001E-02 ppm1      0.830 ppm2      0.328 CV     1
 ASSI { 1540}
   (( segid "    " and resid 64   and name HB1 ))
   (( segid "    " and resid 64   and name HN  ))
      2.800     1.000     1.000 peak  1540 spectrum    1 weight  0.10000E+01 volume  0.18131E-02 ppm1      1.831 ppm2      7.056 CV     1
 ASSI { 1541}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HN  ))
      2.600     0.900     0.900 peak  1541 spectrum    1 weight  0.10000E+01 volume  0.28353E-02 ppm1      4.057 ppm2      7.047 CV     1
 ASSI { 1543}
   (( segid "    " and resid 64   and name HG2 ))
   (( segid "    " and resid 64   and name HE1 ))
      3.200     1.300     1.300 peak  1543 spectrum    1 weight  0.10000E+01 volume  0.16651E-02 ppm1      1.394 ppm2      2.988 CV     1
 OR { 1543}
   (( segid "    " and resid 64   and name HG1 ))
   (( segid "    " and resid 64   and name HE1 ))
 OR { 1543}
   (( segid "    " and resid 64   and name HG2 ))
   (( segid "    " and resid 64   and name HE2 ))
 OR { 1543}
   (( segid "    " and resid 64   and name HG1 ))
   (( segid "    " and resid 64   and name HE2 ))
 ASSI { 1544}
   (( segid "    " and resid 64   and name HD1 ))
   (( segid "    " and resid 64   and name HE2 ))
      2.700     0.900     0.900 peak  1544 spectrum    1 weight  0.10000E+01 volume  0.30632E-02 ppm1      1.679 ppm2      2.997 CV     1
 OR { 1544}
   (( segid "    " and resid 64   and name HD2 ))
   (( segid "    " and resid 64   and name HE1 ))
 OR { 1544}
   (( segid "    " and resid 64   and name HD1 ))
   (( segid "    " and resid 64   and name HE1 ))
 OR { 1544}
   (( segid "    " and resid 64   and name HD2 ))
   (( segid "    " and resid 64   and name HE2 ))
 ASSI { 1545}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 65   and name HN  ))
      3.300     1.400     1.400 peak  1545 spectrum    1 weight  0.10000E+01 volume  0.83491E-03 ppm1      4.055 ppm2      7.273 CV     1
 ASSI { 1546}
   (( segid "    " and resid 64   and name HD1 ))
   (( segid "    " and resid 64   and name HN  ))
      4.600     2.600     1.400 peak  1546 spectrum    1 weight  0.10000E+01 volume  0.50934E-03 ppm1      1.683 ppm2      7.050 CV     1
 OR { 1546}
   (( segid "    " and resid 64   and name HD2 ))
   (( segid "    " and resid 64   and name HN  ))
 ASSI { 1547}
   (( segid "    " and resid 64   and name HG2 ))
   (( segid "    " and resid 65   and name HN  ))
      3.900     1.900     1.900 peak  1547 spectrum    1 weight  0.10000E+01 volume  0.51040E-03 ppm1      1.390 ppm2      7.271 CV     1
 OR { 1547}
   (( segid "    " and resid 64   and name HG1 ))
   (( segid "    " and resid 65   and name HN  ))
 ASSI { 1548}
   (( segid "    " and resid 64   and name HB1 ))
   (( segid "    " and resid 64   and name HA  ))
      2.600     0.800     0.800 peak  1548 spectrum    1 weight  0.10000E+01 volume  0.26583E-02 ppm1      1.827 ppm2      4.058 CV     1
 ASSI { 1549}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 64   and name HA  ))
      2.600     0.900     0.900 peak  1549 spectrum    1 weight  0.10000E+01 volume  0.29184E-02 ppm1      1.762 ppm2      4.058 CV     1
 ASSI { 1552}
   (( segid "    " and resid 64   and name HD2 ))
   (( segid "    " and resid 64   and name HA  ))
      5.100     3.200     0.900 peak  1552 spectrum    1 weight  0.10000E+01 volume  0.42815E-03 ppm1      1.677 ppm2      4.059 CV     1
 OR { 1552}
   (( segid "    " and resid 64   and name HD1 ))
   (( segid "    " and resid 64   and name HA  ))
 ASSI { 1553}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HG1 ))
      3.100     1.200     1.200 peak  1553 spectrum    1 weight  0.10000E+01 volume  0.25305E-02 ppm1      4.059 ppm2      1.392 CV     1
 OR { 1553}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HG2 ))
 ASSI { 1554}
   (( segid "    " and resid 64   and name HA  ))
   (  segid "    " and resid 63   and name HG1%)
      3.300     1.300     1.300 peak  1554 spectrum    1 weight  0.10000E+01 volume  0.93970E-03 ppm1      4.062 ppm2      0.799 CV     1
 OR { 1554}
   (( segid "    " and resid 64   and name HA  ))
   (  segid "    " and resid 63   and name HG2%)
 ASSI { 1555}
   (( segid "    " and resid 64   and name HB1 ))
   (( segid "    " and resid 64   and name HG2 ))
      2.500     0.800     0.800 peak  1555 spectrum    1 weight  0.10000E+01 volume  0.43377E-02 ppm1      1.830 ppm2      1.395 CV     1
 OR { 1555}
   (( segid "    " and resid 64   and name HB1 ))
   (( segid "    " and resid 64   and name HG1 ))
 ASSI { 1556}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 64   and name HG1 ))
      2.600     0.900     0.900 peak  1556 spectrum    1 weight  0.10000E+01 volume  0.31861E-02 ppm1      1.764 ppm2      1.394 CV     1
 OR { 1556}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 64   and name HG2 ))
 ASSI { 1558}
   (( segid "    " and resid 65   and name HB1 ))
   (( segid "    " and resid 65   and name HN  ))
      4.100     2.100     1.900 peak  1558 spectrum    1 weight  0.10000E+01 volume  0.11568E-02 ppm1      3.047 ppm2      7.277 CV     1
 ASSI { 1559}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 65   and name HN  ))
      2.700     0.900     0.900 peak  1559 spectrum    1 weight  0.10000E+01 volume  0.19867E-02 ppm1      2.733 ppm2      7.272 CV     1
 ASSI { 1561}
   (( segid "    " and resid 65   and name HB1 ))
   (( segid "    " and resid 66   and name HN  ))
      3.800     1.800     1.800 peak  1561 spectrum    1 weight  0.10000E+01 volume  0.14735E-02 ppm1      3.050 ppm2      7.732 CV     1
 ASSI { 1562}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 66   and name HN  ))
      3.400     1.400     1.400 peak  1562 spectrum    1 weight  0.10000E+01 volume  0.18904E-02 ppm1      2.736 ppm2      7.731 CV     1
 ASSI { 1565}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HB1 ))
      2.500     0.800     0.800 peak  1565 spectrum    1 weight  0.10000E+01 volume  0.49308E-02 ppm1      4.883 ppm2      3.052 CV     1
 ASSI { 1567}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 66   and name HN  ))
      4.200     2.200     1.800 peak  1567 spectrum    1 weight  0.10000E+01 volume  0.92897E-03 ppm1      0.623 ppm2      7.735 CV     1
 ASSI { 1572}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 71   and name HN  ))
      4.800     2.800     1.200 peak  1572 spectrum    1 weight  0.10000E+01 volume  0.35398E-03 ppm1      0.620 ppm2      8.359 CV     1
 ASSI { 1573}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 67   and name HN  ))
      4.200     2.200     1.800 peak  1573 spectrum    1 weight  0.10000E+01 volume  0.73019E-03 ppm1      0.619 ppm2      8.175 CV     1
 ASSI { 1574}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 75   and name HN  ))
      4.400     2.400     1.600 peak  1574 spectrum    1 weight  0.10000E+01 volume  0.71755E-03 ppm1      0.623 ppm2      7.930 CV     1
 ASSI { 1575}
   (  segid "    " and resid 66   and name HD2%)
   (  segid "    " and resid 75   and name HD% )
      2.900     1.000     1.000 peak  1575 spectrum    1 weight  0.10000E+01 volume  0.20857E-02 ppm1      0.622 ppm2      6.824 CV     1
 ASSI { 1577}
   (  segid "    " and resid 66   and name HD2%)
   (  segid "    " and resid 75   and name HE% )
      3.600     1.700     1.700 peak  1577 spectrum    1 weight  0.10000E+01 volume  0.51746E-03 ppm1      0.621 ppm2      6.560 CV     1
 ASSI { 1578}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 66   and name HA  ))
      2.300     0.600     0.600 peak  1578 spectrum    1 weight  0.10000E+01 volume  0.57115E-02 ppm1      0.621 ppm2      4.508 CV     1
 ASSI { 1579}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 66   and name HA  ))
      2.800     1.000     1.000 peak  1579 spectrum    1 weight  0.10000E+01 volume  0.13467E-02 ppm1      2.244 ppm2      4.510 CV     1
 ASSI { 1580}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 66   and name HA  ))
      3.100     1.200     1.200 peak  1580 spectrum    1 weight  0.10000E+01 volume  0.18971E-02 ppm1      0.897 ppm2      4.519 CV     1
 ASSI { 1581}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 66   and name HA  ))
      4.900     3.000     1.100 peak  1581 spectrum    1 weight  0.10000E+01 volume  0.58182E-03 ppm1      0.383 ppm2      4.518 CV     1
 ASSI { 1584}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 72   and name HA  ))
      2.500     0.800     0.800 peak  1584 spectrum    1 weight  0.10000E+01 volume  0.31271E-02 ppm1      0.622 ppm2      4.113 CV     1
 ASSI { 1586}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 71   and name HB2 ))
      3.100     1.200     1.200 peak  1586 spectrum    1 weight  0.10000E+01 volume  0.25109E-02 ppm1      0.623 ppm2      2.900 CV     1
 ASSI { 1587}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 65   and name HB2 ))
      3.400     1.400     1.400 peak  1587 spectrum    1 weight  0.10000E+01 volume  0.63704E-03 ppm1      0.620 ppm2      2.729 CV     1
 ASSI { 1588}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 63   and name HA  ))
      2.800     1.000     1.000 peak  1588 spectrum    1 weight  0.10000E+01 volume  0.25879E-02 ppm1      0.381 ppm2      3.208 CV     1
 ASSI { 1590}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 66   and name HB1 ))
      2.700     0.900     0.900 peak  1590 spectrum    1 weight  0.10000E+01 volume  0.26159E-02 ppm1      0.380 ppm2      2.237 CV     1
 ASSI { 1591}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 63   and name HB  ))
      4.500     2.600     1.500 peak  1591 spectrum    1 weight  0.10000E+01 volume  0.54243E-03 ppm1      0.379 ppm2      1.893 CV     1
 ASSI { 1592}
   (  segid "    " and resid 66   and name HD1%)
   (  segid "    " and resid 72   and name HB% )
      3.000     1.100     1.100 peak  1592 spectrum    1 weight  0.10000E+01 volume  0.11583E-02 ppm1      0.379 ppm2      1.601 CV     1
 ASSI { 1596}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 66   and name HG  ))
      2.400     0.700     0.700 peak  1596 spectrum    1 weight  0.10000E+01 volume  0.42181E-02 ppm1      0.622 ppm2      1.781 CV     1
 ASSI { 1597}
   (  segid "    " and resid 66   and name HD2%)
   (  segid "    " and resid 72   and name HB% )
      3.500     1.500     1.500 peak  1597 spectrum    1 weight  0.10000E+01 volume  0.10944E-02 ppm1      0.620 ppm2      1.596 CV     1
 ASSI { 1598}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 66   and name HB1 ))
      2.900     1.100     1.100 peak  1598 spectrum    1 weight  0.10000E+01 volume  0.16096E-02 ppm1      0.621 ppm2      2.234 CV     1
 ASSI { 1599}
   (  segid "    " and resid 66   and name HD1%)
   (  segid "    " and resid 66   and name HD2%)
      2.400     0.700     0.700 peak  1599 spectrum    1 weight  0.10000E+01 volume  0.58894E-02 ppm1      0.380 ppm2      0.631 CV     1
 ASSI { 1600}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 40   and name H7A ))
      3.200     1.300     1.300 peak  1600 spectrum    1 weight  0.10000E+01 volume  0.15384E-02 ppm1      0.377 ppm2      0.967 CV     1
 OR { 1600}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 40   and name H7B ))
 ASSI { 1601}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 66   and name HB2 ))
      2.600     0.900     0.900 peak  1601 spectrum    1 weight  0.10000E+01 volume  0.27623E-02 ppm1      0.381 ppm2      0.891 CV     1
 ASSI { 1602}
   (  segid "    " and resid 66   and name HD1%)
   (  segid "    " and resid 63   and name HG2%)
      2.700     0.900     0.900 peak  1602 spectrum    1 weight  0.10000E+01 volume  0.18494E-02 ppm1      0.380 ppm2      0.813 CV     1
 ASSI { 1603}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 40   and name H6A ))
      3.100     1.200     1.200 peak  1603 spectrum    1 weight  0.10000E+01 volume  0.13589E-02 ppm1      0.379 ppm2      0.748 CV     1
 OR { 1603}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 40   and name H5B ))
 ASSI { 1606}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 66   and name HG  ))
      3.100     1.200     1.200 peak  1606 spectrum    1 weight  0.10000E+01 volume  0.20074E-02 ppm1      2.239 ppm2      1.782 CV     1
 ASSI { 1608}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HN  ))
      3.000     1.100     1.100 peak  1608 spectrum    1 weight  0.10000E+01 volume  0.17131E-02 ppm1      4.473 ppm2      8.162 CV     1
 ASSI { 1609}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 67   and name HN  ))
      2.700     0.900     0.900 peak  1609 spectrum    1 weight  0.10000E+01 volume  0.26817E-02 ppm1      2.065 ppm2      8.156 CV     1
 OR { 1609}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HN  ))
 ASSI { 1610}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 68   and name HN  ))
      3.000     1.100     1.100 peak  1610 spectrum    1 weight  0.10000E+01 volume  0.16028E-02 ppm1      2.066 ppm2      8.557 CV     1
 OR { 1610}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 68   and name HN  ))
 ASSI { 1611}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 71   and name HN  ))
      4.200     2.200     1.800 peak  1611 spectrum    1 weight  0.10000E+01 volume  0.65808E-03 ppm1      2.069 ppm2      8.340 CV     1
 OR { 1611}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 71   and name HN  ))
 ASSI { 1613}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HG1 ))
      2.600     0.800     0.800 peak  1613 spectrum    1 weight  0.10000E+01 volume  0.27341E-02 ppm1      2.063 ppm2      1.581 CV     1
 OR { 1613}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 67   and name HG1 ))
 ASSI { 1614}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 67   and name HG2 ))
      2.800     1.000     1.000 peak  1614 spectrum    1 weight  0.10000E+01 volume  0.24877E-02 ppm1      2.062 ppm2      1.474 CV     1
 OR { 1614}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HG2 ))
 ASSI { 1615}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 67   and name HD2 ))
      3.100     1.200     1.200 peak  1615 spectrum    1 weight  0.10000E+01 volume  0.19151E-02 ppm1      2.066 ppm2      1.749 CV     1
 OR { 1615}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 67   and name HD1 ))
 OR { 1615}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HD1 ))
 OR { 1615}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HD2 ))
 ASSI { 1616}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 67   and name HN  ))
      4.300     2.300     1.700 peak  1616 spectrum    1 weight  0.10000E+01 volume  0.76577E-03 ppm1      1.575 ppm2      8.159 CV     1
 ASSI { 1617}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HN  ))
      3.600     1.700     1.700 peak  1617 spectrum    1 weight  0.10000E+01 volume  0.78147E-03 ppm1      1.467 ppm2      8.156 CV     1
 ASSI { 1618}
   (( segid "    " and resid 67   and name HD2 ))
   (( segid "    " and resid 67   and name HN  ))
      4.900     3.000     1.100 peak  1618 spectrum    1 weight  0.10000E+01 volume  0.38888E-03 ppm1      1.770 ppm2      8.147 CV     1
 OR { 1618}
   (( segid "    " and resid 67   and name HD1 ))
   (( segid "    " and resid 67   and name HN  ))
 ASSI { 1619}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HE2 ))
      3.700     1.700     1.700 peak  1619 spectrum    1 weight  0.10000E+01 volume  0.71093E-03 ppm1      1.471 ppm2      3.097 CV     1
 OR { 1619}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HE1 ))
 ASSI { 1620}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HA  ))
      2.600     0.900     0.900 peak  1620 spectrum    1 weight  0.10000E+01 volume  0.34062E-02 ppm1      2.058 ppm2      4.469 CV     1
 OR { 1620}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 67   and name HA  ))
 ASSI { 1621}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 67   and name HA  ))
      3.800     1.800     1.800 peak  1621 spectrum    1 weight  0.10000E+01 volume  0.61247E-03 ppm1      1.578 ppm2      4.479 CV     1
 ASSI { 1622}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HA  ))
      3.500     1.500     1.500 peak  1622 spectrum    1 weight  0.10000E+01 volume  0.10450E-02 ppm1      1.467 ppm2      4.471 CV     1
 ASSI { 1623}
   (( segid "    " and resid 67   and name HD1 ))
   (( segid "    " and resid 67   and name HA  ))
      4.200     2.200     1.800 peak  1623 spectrum    1 weight  0.10000E+01 volume  0.15119E-02 ppm1      1.765 ppm2      4.467 CV     1
 OR { 1623}
   (( segid "    " and resid 67   and name HD2 ))
   (( segid "    " and resid 67   and name HA  ))
 ASSI { 1625}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 67   and name HE1 ))
      3.800     1.800     1.800 peak  1625 spectrum    1 weight  0.10000E+01 volume  0.66985E-03 ppm1      1.578 ppm2      3.100 CV     1
 OR { 1625}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 67   and name HE2 ))
 ASSI { 1626}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 68   and name HN  ))
      2.800     1.000     1.000 peak  1626 spectrum    1 weight  0.10000E+01 volume  0.15020E-02 ppm1      5.230 ppm2      8.558 CV     1
 ASSI { 1627}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 68   and name HA  ))
      2.300     0.700     0.700 peak  1627 spectrum    1 weight  0.10000E+01 volume  0.37224E-02 ppm1      4.331 ppm2      5.228 CV     1
 ASSI { 1628}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 68   and name HA  ))
      2.600     0.800     0.800 peak  1628 spectrum    1 weight  0.10000E+01 volume  0.39191E-02 ppm1      1.059 ppm2      5.226 CV     1
 ASSI { 1632}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 31   and name HA  ))
      3.300     1.400     1.400 peak  1632 spectrum    1 weight  0.10000E+01 volume  0.63782E-03 ppm1      4.330 ppm2      4.921 CV     1
 ASSI { 1633}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 68   and name HG1 ))
      3.300     1.300     1.300 peak  1633 spectrum    1 weight  0.10000E+01 volume  0.62031E-03 ppm1      4.318 ppm2      5.357 CV     1
 ASSI { 1634}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 67   and name HN  ))
      2.800     2.800     3.200 peak  1634 spectrum    1 weight  0.10000E+01 volume  0.58391E-02 ppm1      5.227 ppm2      8.133 CV     1
 ASSI { 1635}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 70   and name HN  ))
      4.400     2.400     1.600 peak  1635 spectrum    1 weight  0.10000E+01 volume  0.78147E-03 ppm1      1.056 ppm2      9.408 CV     1
 ASSI { 1636}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 70   and name HN  ))
      2.800     1.000     1.000 peak  1636 spectrum    1 weight  0.10000E+01 volume  0.24206E-02 ppm1      4.328 ppm2      9.413 CV     1
 ASSI { 1637}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 30   and name HN  ))
      3.500     1.500     1.500 peak  1637 spectrum    1 weight  0.10000E+01 volume  0.55582E-03 ppm1      4.336 ppm2      7.499 CV     1
 ASSI { 1639}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 71   and name HN  ))
      4.000     2.000     2.000 peak  1639 spectrum    1 weight  0.10000E+01 volume  0.99305E-03 ppm1      1.053 ppm2      8.372 CV     1
 ASSI { 1640}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 67   and name HN  ))
      3.700     1.700     1.700 peak  1640 spectrum    1 weight  0.10000E+01 volume  0.21789E-02 ppm1      1.057 ppm2      8.141 CV     1
 ASSI { 1641}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 68   and name HN  ))
      2.800     1.000     1.000 peak  1641 spectrum    1 weight  0.10000E+01 volume  0.30507E-02 ppm1      1.055 ppm2      8.558 CV     1
 ASSI { 1642}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 71   and name HN  ))
      4.200     2.200     1.800 peak  1642 spectrum    1 weight  0.10000E+01 volume  0.63707E-03 ppm1      4.329 ppm2      8.380 CV     1
 ASSI { 1643}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 68   and name HG1 ))
      3.200     1.300     1.300 peak  1643 spectrum    1 weight  0.10000E+01 volume  0.97005E-03 ppm1      1.054 ppm2      5.377 CV     1
 ASSI { 1644}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 31   and name HA  ))
      2.400     0.700     0.700 peak  1644 spectrum    1 weight  0.10000E+01 volume  0.22542E-02 ppm1      1.056 ppm2      4.918 CV     1
 ASSI { 1645}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 67   and name HA  ))
      3.600     1.600     1.600 peak  1645 spectrum    1 weight  0.10000E+01 volume  0.14977E-02 ppm1      1.055 ppm2      4.477 CV     1
 ASSI { 1646}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 68   and name HB  ))
      2.100     0.600     0.600 peak  1646 spectrum    1 weight  0.10000E+01 volume  0.72972E-02 ppm1      1.055 ppm2      4.330 CV     1
 ASSI { 1647}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 31   and name HB1 ))
      3.300     1.300     1.300 peak  1647 spectrum    1 weight  0.10000E+01 volume  0.16907E-02 ppm1      1.056 ppm2      4.087 CV     1
 ASSI { 1649}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 67   and name HE2 ))
      2.700     2.700     3.300 peak  1649 spectrum    1 weight  0.10000E+01 volume  0.72941E-03 ppm1      1.057 ppm2      3.097 CV     1
 OR { 1649}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 67   and name HE1 ))
 ASSI { 1650}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 69   and name HB  ))
      4.500     2.500     1.500 peak  1650 spectrum    1 weight  0.10000E+01 volume  0.12704E-02 ppm1      4.328 ppm2      2.267 CV     1
 ASSI { 1652}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 67   and name HB1 ))
      4.500     2.500     1.500 peak  1652 spectrum    1 weight  0.10000E+01 volume  0.52414E-03 ppm1      5.230 ppm2      2.062 CV     1
 OR { 1652}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 67   and name HB2 ))
 ASSI { 1653}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 67   and name HB1 ))
      3.000     1.100     1.100 peak  1653 spectrum    1 weight  0.10000E+01 volume  0.50104E-02 ppm1      1.055 ppm2      2.054 CV     1
 OR { 1653}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 67   and name HB2 ))
 ASSI { 1654}
   (( segid "    " and resid 68   and name HA  ))
   (  segid "    " and resid 69   and name HG1%)
      3.500     1.500     1.500 peak  1654 spectrum    1 weight  0.10000E+01 volume  0.11547E-02 ppm1      5.228 ppm2      0.455 CV     1
 ASSI { 1655}
   (( segid "    " and resid 68   and name HB  ))
   (  segid "    " and resid 69   and name HG1%)
      4.300     2.300     1.700 peak  1655 spectrum    1 weight  0.10000E+01 volume  0.90690E-03 ppm1      4.323 ppm2      0.462 CV     1
 ASSI { 1659}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HN  ))
      2.500     0.800     0.800 peak  1659 spectrum    1 weight  0.10000E+01 volume  0.20845E-02 ppm1      3.386 ppm2      8.124 CV     1
 ASSI { 1660}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 69   and name HN  ))
      2.200     0.600     0.600 peak  1660 spectrum    1 weight  0.10000E+01 volume  0.58235E-02 ppm1      0.458 ppm2      8.122 CV     1
 ASSI { 1662}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 70   and name HN  ))
      3.500     1.500     1.500 peak  1662 spectrum    1 weight  0.10000E+01 volume  0.58756E-03 ppm1      3.387 ppm2      9.410 CV     1
 ASSI { 1664}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 70   and name HN  ))
      4.300     2.300     1.700 peak  1664 spectrum    1 weight  0.10000E+01 volume  0.76555E-03 ppm1      0.459 ppm2      9.413 CV     1
 ASSI { 1665}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 70   and name HN  ))
      3.100     1.200     1.200 peak  1665 spectrum    1 weight  0.10000E+01 volume  0.99199E-03 ppm1      0.655 ppm2      9.410 CV     1
 ASSI { 1667}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 73   and name HN  ))
      4.100     2.100     1.900 peak  1667 spectrum    1 weight  0.10000E+01 volume  0.38860E-03 ppm1      3.386 ppm2      8.635 CV     1
 ASSI { 1668}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 73   and name HN  ))
      3.700     1.700     1.700 peak  1668 spectrum    1 weight  0.10000E+01 volume  0.67082E-03 ppm1      0.655 ppm2      8.636 CV     1
 ASSI { 1669}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 71   and name HN  ))
      4.800     2.900     1.200 peak  1669 spectrum    1 weight  0.10000E+01 volume  0.43193E-03 ppm1      0.660 ppm2      8.372 CV     1
 ASSI { 1670}
   (  segid "    " and resid 69   and name HG1%)
   (  segid "    " and resid 32   and name HD% )
      4.100     2.100     1.900 peak  1670 spectrum    1 weight  0.10000E+01 volume  0.46164E-03 ppm1      0.454 ppm2      7.168 CV     1
 ASSI { 1671}
   (  segid "    " and resid 69   and name HG1%)
   (  segid "    " and resid 32   and name HE% )
      3.100     1.200     1.200 peak  1671 spectrum    1 weight  0.10000E+01 volume  0.17584E-02 ppm1      0.458 ppm2      6.983 CV     1
 ASSI { 1672}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 32   and name HZ  ))
      2.800     1.000     1.000 peak  1672 spectrum    1 weight  0.10000E+01 volume  0.13105E-02 ppm1      0.455 ppm2      6.868 CV     1
 ASSI { 1674}
   (( segid "    " and resid 69   and name HA  ))
   (  segid "    " and resid 32   and name HD% )
      4.800     2.900     1.200 peak  1674 spectrum    1 weight  0.10000E+01 volume  0.27727E-03 ppm1      3.384 ppm2      7.184 CV     1
 ASSI { 1676}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 32   and name HZ  ))
      2.600     0.800     0.800 peak  1676 spectrum    1 weight  0.10000E+01 volume  0.33741E-02 ppm1      3.387 ppm2      6.870 CV     1
 ASSI { 1678}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 32   and name HZ  ))
      4.300     2.300     1.700 peak  1678 spectrum    1 weight  0.10000E+01 volume  0.79917E-03 ppm1      0.661 ppm2      6.863 CV     1
 ASSI { 1679}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 27   and name HN  ))
      3.500     1.500     1.500 peak  1679 spectrum    1 weight  0.10000E+01 volume  0.84821E-03 ppm1      0.459 ppm2      6.367 CV     1
 ASSI { 1682}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 69   and name HA  ))
      2.300     0.700     0.700 peak  1682 spectrum    1 weight  0.10000E+01 volume  0.50278E-02 ppm1      0.459 ppm2      3.381 CV     1
 ASSI { 1692}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 28   and name HG  ))
      4.200     2.200     1.800 peak  1692 spectrum    1 weight  0.10000E+01 volume  0.83638E-03 ppm1      0.659 ppm2      1.723 CV     1
 OR { 1692}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 28   and name HB1 ))
 ASSI { 1693}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 69   and name HB  ))
      2.200     0.600     0.600 peak  1693 spectrum    1 weight  0.10000E+01 volume  0.65864E-02 ppm1      0.458 ppm2      2.284 CV     1
 ASSI { 1695}
   (  segid "    " and resid 69   and name HG1%)
   (  segid "    " and resid 72   and name HB% )
      3.800     1.800     1.800 peak  1695 spectrum    1 weight  0.10000E+01 volume  0.12539E-02 ppm1      0.459 ppm2      1.596 CV     1
 ASSI { 1697}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 30   and name HB2 ))
      2.800     1.000     1.000 peak  1697 spectrum    1 weight  0.10000E+01 volume  0.12107E-02 ppm1      0.458 ppm2      1.351 CV     1
 ASSI { 1699}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HB  ))
      2.800     1.000     1.000 peak  1699 spectrum    1 weight  0.10000E+01 volume  0.14795E-02 ppm1      3.387 ppm2      2.285 CV     1
 ASSI { 1701}
   (  segid "    " and resid 69   and name HG1%)
   (  segid "    " and resid 69   and name HG2%)
      2.000     0.500     0.500 peak  1701 spectrum    1 weight  0.10000E+01 volume  0.12277E-01 ppm1      0.459 ppm2      0.649 CV     1
 ASSI { 1707}
   (( segid "    " and resid 69   and name HA  ))
   (  segid "    " and resid 69   and name HG2%)
      2.800     1.000     1.000 peak  1707 spectrum    1 weight  0.10000E+01 volume  0.49367E-02 ppm1      3.388 ppm2      0.652 CV     1
 ASSI { 1708}
   (( segid "    " and resid 70   and name HA2 ))
   (( segid "    " and resid 70   and name HA1 ))
      1.800     0.400     0.400 peak  1708 spectrum    1 weight  0.10000E+01 volume  0.11350E-01 ppm1      3.798 ppm2      4.009 CV     1
 ASSI { 1709}
   (( segid "    " and resid 70   and name HA1 ))
   (( segid "    " and resid 70   and name HN  ))
      2.300     0.700     0.700 peak  1709 spectrum    1 weight  0.10000E+01 volume  0.39238E-02 ppm1      4.010 ppm2      9.411 CV     1
 ASSI { 1710}
   (( segid "    " and resid 70   and name HA2 ))
   (( segid "    " and resid 70   and name HN  ))
      3.000     1.100     1.100 peak  1710 spectrum    1 weight  0.10000E+01 volume  0.27795E-02 ppm1      3.798 ppm2      9.412 CV     1
 ASSI { 1712}
   (( segid "    " and resid 70   and name HA2 ))
   (( segid "    " and resid 71   and name HN  ))
      3.900     1.900     1.900 peak  1712 spectrum    1 weight  0.10000E+01 volume  0.76340E-03 ppm1      3.790 ppm2      8.375 CV     1
 ASSI { 1715}
   (( segid "    " and resid 70   and name HA1 ))
   (( segid "    " and resid 73   and name HN  ))
      5.000     3.100     1.000 peak  1715 spectrum    1 weight  0.10000E+01 volume  0.26500E-03 ppm1      4.025 ppm2      8.643 CV     1
 ASSI { 1716}
   (( segid "    " and resid 70   and name HA2 ))
   (( segid "    " and resid 73   and name HB  ))
      2.700     0.900     0.900 peak  1716 spectrum    1 weight  0.10000E+01 volume  0.18141E-02 ppm1      3.794 ppm2      4.191 CV     1
 ASSI { 1717}
   (( segid "    " and resid 70   and name HA1 ))
   (( segid "    " and resid 73   and name HB  ))
      4.400     2.400     1.600 peak  1717 spectrum    1 weight  0.10000E+01 volume  0.58763E-03 ppm1      4.011 ppm2      4.163 CV     1
 ASSI { 1719}
   (( segid "    " and resid 70   and name HA1 ))
   (( segid "    " and resid 28   and name HA  ))
      3.800     1.800     1.800 peak  1719 spectrum    1 weight  0.10000E+01 volume  0.99055E-03 ppm1      4.009 ppm2      3.583 CV     1
 ASSI { 1722}
   (( segid "    " and resid 70   and name HA2 ))
   (( segid "    " and resid 28   and name HA  ))
      3.400     1.400     1.400 peak  1722 spectrum    1 weight  0.10000E+01 volume  0.94070E-03 ppm1      3.791 ppm2      3.584 CV     1
 ASSI { 1729}
   (( segid "    " and resid 70   and name HA1 ))
   (  segid "    " and resid 73   and name HG2%)
      5.000     3.100     1.000 peak  1729 spectrum    1 weight  0.10000E+01 volume  0.48349E-03 ppm1      4.012 ppm2      1.106 CV     1
 ASSI { 1730}
   (( segid "    " and resid 70   and name HA1 ))
   (  segid "    " and resid 28   and name HD2%)
      4.900     3.000     1.100 peak  1730 spectrum    1 weight  0.10000E+01 volume  0.36606E-03 ppm1      4.000 ppm2      0.915 CV     1
 ASSI { 1731}
   (( segid "    " and resid 70   and name HA1 ))
   (  segid "    " and resid 28   and name HD1%)
      3.500     1.500     1.500 peak  1731 spectrum    1 weight  0.10000E+01 volume  0.25219E-02 ppm1      4.011 ppm2      0.812 CV     1
 ASSI { 1732}
   (( segid "    " and resid 70   and name HA1 ))
   (  segid "    " and resid 69   and name HG2%)
      4.800     2.900     1.200 peak  1732 spectrum    1 weight  0.10000E+01 volume  0.32067E-03 ppm1      4.019 ppm2      0.633 CV     1
 ASSI { 1733}
   (( segid "    " and resid 70   and name HA2 ))
   (  segid "    " and resid 69   and name HG2%)
      4.000     2.000     2.000 peak  1733 spectrum    1 weight  0.10000E+01 volume  0.46626E-03 ppm1      3.814 ppm2      0.647 CV     1
 ASSI { 1734}
   (( segid "    " and resid 70   and name HA2 ))
   (  segid "    " and resid 28   and name HD2%)
      3.500     1.500     1.500 peak  1734 spectrum    1 weight  0.10000E+01 volume  0.42181E-03 ppm1      3.803 ppm2      0.916 CV     1
 ASSI { 1736}
   (( segid "    " and resid 70   and name HA2 ))
   (  segid "    " and resid 73   and name HG2%)
      3.700     1.700     1.700 peak  1736 spectrum    1 weight  0.10000E+01 volume  0.79040E-03 ppm1      3.804 ppm2      1.097 CV     1
 ASSI { 1737}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HN  ))
      2.900     1.000     1.000 peak  1737 spectrum    1 weight  0.10000E+01 volume  0.24398E-02 ppm1      4.493 ppm2      8.368 CV     1
 ASSI { 1739}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 72   and name HN  ))
      3.200     1.300     1.300 peak  1739 spectrum    1 weight  0.10000E+01 volume  0.14856E-02 ppm1      2.903 ppm2      8.201 CV     1
 ASSI { 1740}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 68   and name HN  ))
      2.900     1.000     1.000 peak  1740 spectrum    1 weight  0.10000E+01 volume  0.15206E-02 ppm1      2.904 ppm2      8.552 CV     1
 ASSI { 1742}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
      3.400     1.500     1.500 peak  1742 spectrum    1 weight  0.10000E+01 volume  0.79730E-03 ppm1      4.492 ppm2      8.011 CV     1
 ASSI { 1743}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 71   and name HA  ))
      2.700     0.900     0.900 peak  1743 spectrum    1 weight  0.10000E+01 volume  0.32873E-02 ppm1      3.089 ppm2      4.501 CV     1
 ASSI { 1744}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 71   and name HA  ))
      2.700     0.900     0.900 peak  1744 spectrum    1 weight  0.10000E+01 volume  0.48415E-02 ppm1      2.903 ppm2      4.498 CV     1
 ASSI { 1745}
   (( segid "    " and resid 71   and name HB1 ))
   (  segid "    " and resid 66   and name HD2%)
      3.200     1.300     1.300 peak  1745 spectrum    1 weight  0.10000E+01 volume  0.11797E-02 ppm1      3.090 ppm2      0.621 CV     1
 ASSI { 1750}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HN  ))
      2.700     0.900     0.900 peak  1750 spectrum    1 weight  0.10000E+01 volume  0.20670E-02 ppm1      4.112 ppm2      8.215 CV     1
 ASSI { 1751}
   (  segid "    " and resid 72   and name HB% )
   (( segid "    " and resid 72   and name HA  ))
      2.200     0.600     0.600 peak  1751 spectrum    1 weight  0.10000E+01 volume  0.53022E-02 ppm1      1.611 ppm2      4.112 CV     1
 ASSI { 1756}
   (  segid "    " and resid 72   and name HB% )
   (  segid "    " and resid 32   and name HE% )
      2.700     0.900     0.900 peak  1756 spectrum    1 weight  0.10000E+01 volume  0.27155E-02 ppm1      1.610 ppm2      6.984 CV     1
 ASSI { 1758}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 75   and name HD% )
      4.500     2.600     1.500 peak  1758 spectrum    1 weight  0.10000E+01 volume  0.53687E-03 ppm1      4.109 ppm2      6.822 CV     1
 ASSI { 1759}
   (  segid "    " and resid 72   and name HB% )
   (( segid "    " and resid 73   and name HA  ))
      3.700     1.700     1.700 peak  1759 spectrum    1 weight  0.10000E+01 volume  0.67681E-03 ppm1      1.611 ppm2      3.677 CV     1
 ASSI { 1760}
   (  segid "    " and resid 72   and name HB% )
   (( segid "    " and resid 69   and name HA  ))
      2.700     0.900     0.900 peak  1760 spectrum    1 weight  0.10000E+01 volume  0.20524E-02 ppm1      1.610 ppm2      3.382 CV     1
 ASSI { 1761}
   (  segid "    " and resid 72   and name HB% )
   (( segid "    " and resid 75   and name HB1 ))
      4.800     2.800     1.200 peak  1761 spectrum    1 weight  0.10000E+01 volume  0.38888E-03 ppm1      1.608 ppm2      3.111 CV     1
 OR { 1761}
   (  segid "    " and resid 72   and name HB% )
   (( segid "    " and resid 75   and name HB2 ))
 ASSI { 1762}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 75   and name HB1 ))
      2.300     0.700     0.700 peak  1762 spectrum    1 weight  0.10000E+01 volume  0.34605E-02 ppm1      4.112 ppm2      3.120 CV     1
 OR { 1762}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 75   and name HB2 ))
 ASSI { 1763}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 71   and name HB2 ))
      4.300     2.300     1.700 peak  1763 spectrum    1 weight  0.10000E+01 volume  0.33026E-03 ppm1      4.110 ppm2      2.896 CV     1
 ASSI { 1765}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 76   and name HG11))
      4.100     2.100     1.900 peak  1765 spectrum    1 weight  0.10000E+01 volume  0.38370E-03 ppm1      4.122 ppm2      1.995 CV     1
 ASSI { 1769}
   (  segid "    " and resid 72   and name HB% )
   (( segid "    " and resid 76   and name HG11))
      3.600     1.600     1.600 peak  1769 spectrum    1 weight  0.10000E+01 volume  0.40333E-03 ppm1      1.604 ppm2      1.979 CV     1
 ASSI { 1770}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 66   and name HD1%)
      2.700     0.900     0.900 peak  1770 spectrum    1 weight  0.10000E+01 volume  0.30109E-02 ppm1      4.115 ppm2      0.383 CV     1
 ASSI { 1774}
   (  segid "    " and resid 72   and name HB% )
   (  segid "    " and resid 40   and name H8% )
      2.500     0.800     0.800 peak  1774 spectrum    1 weight  0.10000E+01 volume  0.47887E-02 ppm1      1.611 ppm2      0.636 CV     1
 ASSI { 1780}
   (( segid "    " and resid 73   and name HB  ))
   (  segid "    " and resid 73   and name HG2%)
      2.200     0.600     0.600 peak  1780 spectrum    1 weight  0.10000E+01 volume  0.53391E-02 ppm1      4.189 ppm2      1.109 CV     1
 ASSI { 1781}
   (( segid "    " and resid 73   and name HB  ))
   (( segid "    " and resid 74   and name HN  ))
      2.400     0.700     0.700 peak  1781 spectrum    1 weight  0.10000E+01 volume  0.25653E-02 ppm1      4.185 ppm2      8.012 CV     1
 ASSI { 1782}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 73   and name HN  ))
      3.700     1.700     1.700 peak  1782 spectrum    1 weight  0.10000E+01 volume  0.18745E-02 ppm1      1.113 ppm2      8.642 CV     1
 ASSI { 1783}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 74   and name HN  ))
      3.400     1.400     1.400 peak  1783 spectrum    1 weight  0.10000E+01 volume  0.12249E-02 ppm1      1.112 ppm2      8.015 CV     1
 ASSI { 1785}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 8    and name HN  ))
      3.100     1.200     1.200 peak  1785 spectrum    1 weight  0.10000E+01 volume  0.20311E-02 ppm1      1.111 ppm2      8.390 CV     1
 ASSI { 1790}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 73   and name HA  ))
      2.100     0.600     0.600 peak  1790 spectrum    1 weight  0.10000E+01 volume  0.10553E-01 ppm1      1.112 ppm2      3.682 CV     1
 ASSI { 1794}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 74   and name HD1 ))
      3.500     1.500     1.500 peak  1794 spectrum    1 weight  0.10000E+01 volume  0.22633E-02 ppm1      3.678 ppm2      1.777 CV     1
 ASSI { 1796}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 4    and name HB1 ))
      2.700     0.900     0.900 peak  1796 spectrum    1 weight  0.10000E+01 volume  0.52601E-02 ppm1      1.112 ppm2      2.167 CV     1
 OR { 1796}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 4    and name HG2 ))
 ASSI { 1802}
   (  segid "    " and resid 73   and name HG2%)
   (  segid "    " and resid 7    and name HD1%)
      2.300     0.700     0.700 peak  1802 spectrum    1 weight  0.10000E+01 volume  0.80604E-02 ppm1      1.112 ppm2      0.548 CV     1
 OR { 1802}
   (  segid "    " and resid 73   and name HG2%)
   (  segid "    " and resid 7    and name HG2%)
 ASSI { 1803}
   (  segid "    " and resid 73   and name HG2%)
   (  segid "    " and resid 77   and name HD1%)
      2.300     0.600     0.600 peak  1803 spectrum    1 weight  0.10000E+01 volume  0.74917E-02 ppm1      1.112 ppm2      0.823 CV     1
 OR { 1803}
   (  segid "    " and resid 73   and name HG2%)
   (  segid "    " and resid 77   and name HD2%)
 ASSI { 1805}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 7    and name HG2%)
      2.200     0.600     0.600 peak  1805 spectrum    1 weight  0.10000E+01 volume  0.67849E-02 ppm1      3.677 ppm2      0.557 CV     1
 OR { 1805}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 7    and name HD1%)
 ASSI { 1806}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 77   and name HD1%)
      3.600     1.700     1.700 peak  1806 spectrum    1 weight  0.10000E+01 volume  0.14644E-02 ppm1      3.677 ppm2      0.858 CV     1
 OR { 1806}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 77   and name HD2%)
 ASSI { 1808}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
      2.500     0.800     0.800 peak  1808 spectrum    1 weight  0.10000E+01 volume  0.25444E-02 ppm1      3.944 ppm2      8.013 CV     1
 ASSI { 1811}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 74   and name HA  ))
      2.500     0.800     0.800 peak  1811 spectrum    1 weight  0.10000E+01 volume  0.28321E-02 ppm1      1.977 ppm2      3.939 CV     1
 ASSI { 1812}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 71   and name HA  ))
      3.400     1.400     1.400 peak  1812 spectrum    1 weight  0.10000E+01 volume  0.85736E-03 ppm1      1.913 ppm2      4.502 CV     1
 ASSI { 1814}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 74   and name HG1 ))
      2.700     0.900     0.900 peak  1814 spectrum    1 weight  0.10000E+01 volume  0.26375E-02 ppm1      1.979 ppm2      1.465 CV     1
 OR { 1814}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 74   and name HG2 ))
 ASSI { 1815}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 74   and name HG2 ))
      2.700     0.900     0.900 peak  1815 spectrum    1 weight  0.10000E+01 volume  0.25079E-02 ppm1      1.913 ppm2      1.460 CV     1
 OR { 1815}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 74   and name HG1 ))
 ASSI { 1816}
   (( segid "    " and resid 74   and name HA  ))
   (  segid "    " and resid 77   and name HD1%)
      2.500     0.800     0.800 peak  1816 spectrum    1 weight  0.10000E+01 volume  0.32351E-02 ppm1      3.943 ppm2      0.823 CV     1
 OR { 1816}
   (( segid "    " and resid 74   and name HA  ))
   (  segid "    " and resid 77   and name HD2%)
 ASSI { 1817}
   (( segid "    " and resid 74   and name HA  ))
   (  segid "    " and resid 73   and name HG2%)
      3.500     1.500     1.500 peak  1817 spectrum    1 weight  0.10000E+01 volume  0.71617E-03 ppm1      3.948 ppm2      1.107 CV     1
 ASSI { 1818}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HG2 ))
      2.900     1.100     1.100 peak  1818 spectrum    1 weight  0.10000E+01 volume  0.24173E-02 ppm1      3.942 ppm2      1.467 CV     1
 OR { 1818}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HG1 ))
 ASSI { 1820}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HB2 ))
      2.500     0.800     0.800 peak  1820 spectrum    1 weight  0.10000E+01 volume  0.49857E-02 ppm1      3.943 ppm2      1.906 CV     1
 ASSI { 1823}
   (( segid "    " and resid 74   and name HD1 ))
   (( segid "    " and resid 74   and name HA  ))
      4.100     2.100     1.900 peak  1823 spectrum    1 weight  0.10000E+01 volume  0.32579E-03 ppm1      1.779 ppm2      3.930 CV     1
 ASSI { 1824}
   (( segid "    " and resid 74   and name HD2 ))
   (( segid "    " and resid 74   and name HE1 ))
      2.800     1.000     1.000 peak  1824 spectrum    1 weight  0.10000E+01 volume  0.19197E-02 ppm1      1.655 ppm2      3.039 CV     1
 OR { 1824}
   (( segid "    " and resid 74   and name HD2 ))
   (( segid "    " and resid 74   and name HE2 ))
 ASSI { 1826}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 75   and name HN  ))
      3.200     1.200     1.200 peak  1826 spectrum    1 weight  0.10000E+01 volume  0.93530E-03 ppm1      3.943 ppm2      7.935 CV     1
 ASSI { 1827}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HN  ))
      2.800     1.000     1.000 peak  1827 spectrum    1 weight  0.10000E+01 volume  0.27960E-02 ppm1      4.232 ppm2      7.933 CV     1
 ASSI { 1829}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HB2 ))
      2.400     0.700     0.700 peak  1829 spectrum    1 weight  0.10000E+01 volume  0.50494E-02 ppm1      4.232 ppm2      3.120 CV     1
 OR { 1829}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HB1 ))
 ASSI { 1831}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 78   and name HB2 ))
      3.500     1.500     1.500 peak  1831 spectrum    1 weight  0.10000E+01 volume  0.91670E-03 ppm1      4.234 ppm2      2.224 CV     1
 ASSI { 1832}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 74   and name HG1 ))
      3.800     1.800     1.800 peak  1832 spectrum    1 weight  0.10000E+01 volume  0.44513E-03 ppm1      4.240 ppm2      1.462 CV     1
 OR { 1832}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 74   and name HG2 ))
 ASSI { 1837}
   (  segid "    " and resid 75   and name HD% )
   (( segid "    " and resid 75   and name HB2 ))
      2.400     0.700     0.700 peak  1837 spectrum    1 weight  0.10000E+01 volume  0.39893E-02 ppm1      6.825 ppm2      3.120 CV     1
 OR { 1837}
   (  segid "    " and resid 75   and name HD% )
   (( segid "    " and resid 75   and name HB1 ))
 ASSI { 1838}
   (  segid "    " and resid 75   and name HE% )
   (( segid "    " and resid 75   and name HB2 ))
      3.800     1.800     1.800 peak  1838 spectrum    1 weight  0.10000E+01 volume  0.17030E-02 ppm1      6.557 ppm2      3.112 CV     1
 OR { 1838}
   (  segid "    " and resid 75   and name HE% )
   (( segid "    " and resid 75   and name HB1 ))
 ASSI { 1843}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 75   and name HD% )
      3.100     1.200     1.200 peak  1843 spectrum    1 weight  0.10000E+01 volume  0.17090E-02 ppm1      4.233 ppm2      6.824 CV     1
 ASSI { 1844}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 79   and name HD2 ))
      3.900     1.900     1.900 peak  1844 spectrum    1 weight  0.10000E+01 volume  0.42290E-03 ppm1      4.227 ppm2      6.998 CV     1
 ASSI { 1850}
   (  segid "    " and resid 75   and name HE% )
   (( segid "    " and resid 58   and name HA  ))
      3.800     1.800     1.800 peak  1850 spectrum    1 weight  0.10000E+01 volume  0.15951E-02 ppm1      6.556 ppm2      4.493 CV     1
 ASSI { 1851}
   (  segid "    " and resid 75   and name HE% )
   (( segid "    " and resid 75   and name HA  ))
      4.600     2.600     1.400 peak  1851 spectrum    1 weight  0.10000E+01 volume  0.41086E-03 ppm1      6.561 ppm2      4.235 CV     1
 ASSI { 1854}
   (  segid "    " and resid 75   and name HE% )
   (( segid "    " and resid 76   and name HG11))
      4.200     2.200     1.800 peak  1854 spectrum    1 weight  0.10000E+01 volume  0.92519E-03 ppm1      6.553 ppm2      1.990 CV     1
 ASSI { 1855}
   (  segid "    " and resid 75   and name HE% )
   (( segid "    " and resid 62   and name HB2 ))
      3.200     1.300     1.300 peak  1855 spectrum    1 weight  0.10000E+01 volume  0.28196E-02 ppm1      6.555 ppm2      2.398 CV     1
 OR { 1855}
   (  segid "    " and resid 75   and name HE% )
   (( segid "    " and resid 62   and name HB1 ))
 ASSI { 1856}
   (  segid "    " and resid 75   and name HD% )
   (( segid "    " and resid 76   and name HG11))
      3.200     1.300     1.300 peak  1856 spectrum    1 weight  0.10000E+01 volume  0.77458E-03 ppm1      6.827 ppm2      1.998 CV     1
 ASSI { 1861}
   (  segid "    " and resid 75   and name HE% )
   (( segid "    " and resid 58   and name HG12))
      2.800     1.000     1.000 peak  1861 spectrum    1 weight  0.10000E+01 volume  0.26126E-02 ppm1      6.555 ppm2      0.832 CV     1
 ASSI { 1864}
   (  segid "    " and resid 75   and name HE% )
   (  segid "    " and resid 58   and name HG2%)
      2.700     0.900     0.900 peak  1864 spectrum    1 weight  0.10000E+01 volume  0.17803E-02 ppm1      6.557 ppm2      0.326 CV     1
 ASSI { 1866}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HN  ))
      2.600     0.800     0.800 peak  1866 spectrum    1 weight  0.10000E+01 volume  0.25190E-02 ppm1      3.498 ppm2      8.528 CV     1
 ASSI { 1867}
   (( segid "    " and resid 76   and name HB  ))
   (( segid "    " and resid 76   and name HN  ))
      2.100     0.500     0.500 peak  1867 spectrum    1 weight  0.10000E+01 volume  0.50260E-02 ppm1      1.779 ppm2      8.523 CV     1
 ASSI { 1869}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HB  ))
      2.700     0.900     0.900 peak  1869 spectrum    1 weight  0.10000E+01 volume  0.21274E-02 ppm1      3.502 ppm2      1.774 CV     1
 ASSI { 1871}
   (( segid "    " and resid 76   and name HG12))
   (( segid "    " and resid 76   and name HA  ))
      2.600     0.800     0.800 peak  1871 spectrum    1 weight  0.10000E+01 volume  0.20833E-02 ppm1      0.925 ppm2      3.496 CV     1
 ASSI { 1878}
   (( segid "    " and resid 76   and name HG12))
   (  segid "    " and resid 75   and name HD% )
      3.900     1.900     1.900 peak  1878 spectrum    1 weight  0.10000E+01 volume  0.47884E-03 ppm1      0.930 ppm2      6.828 CV     1
 ASSI { 1880}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 75   and name HD% )
      2.900     1.100     1.100 peak  1880 spectrum    1 weight  0.10000E+01 volume  0.15665E-02 ppm1      3.499 ppm2      6.823 CV     1
 ASSI { 1881}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 75   and name HE% )
      4.400     2.400     1.600 peak  1881 spectrum    1 weight  0.10000E+01 volume  0.43168E-03 ppm1      3.501 ppm2      6.547 CV     1
 ASSI { 1886}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 80   and name HB2 ))
      4.900     3.000     1.100 peak  1886 spectrum    1 weight  0.10000E+01 volume  0.40021E-03 ppm1      0.533 ppm2      2.136 CV     1
 ASSI { 1891}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HG11))
      2.600     0.800     0.800 peak  1891 spectrum    1 weight  0.10000E+01 volume  0.29616E-02 ppm1      3.499 ppm2      1.988 CV     1
 ASSI { 1892}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 79   and name HB2 ))
      3.000     1.100     1.100 peak  1892 spectrum    1 weight  0.10000E+01 volume  0.86117E-03 ppm1      3.500 ppm2      2.503 CV     1
 ASSI { 1893}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 76   and name HD1%)
      3.800     1.800     1.800 peak  1893 spectrum    1 weight  0.10000E+01 volume  0.19862E-02 ppm1      3.502 ppm2      0.631 CV     1
 ASSI { 1894}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 76   and name HG2%)
      2.300     0.700     0.700 peak  1894 spectrum    1 weight  0.10000E+01 volume  0.51465E-02 ppm1      3.501 ppm2      0.524 CV     1
 ASSI { 1896}
   (( segid "    " and resid 76   and name HG11))
   (  segid "    " and resid 76   and name HG2%)
      3.400     1.400     1.400 peak  1896 spectrum    1 weight  0.10000E+01 volume  0.20984E-02 ppm1      1.993 ppm2      0.523 CV     1
 ASSI { 1897}
   (( segid "    " and resid 76   and name HG11))
   (( segid "    " and resid 76   and name HG12))
      1.500     0.300     0.700 peak  1897 spectrum    1 weight  0.10000E+01 volume  0.91695E-02 ppm1      1.995 ppm2      0.918 CV     1
 ASSI { 1899}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 76   and name HG12))
      2.400     0.700     0.700 peak  1899 spectrum    1 weight  0.10000E+01 volume  0.26292E-02 ppm1      0.529 ppm2      0.928 CV     1
 ASSI { 1900}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 7    and name HG12))
      3.400     1.400     1.400 peak  1900 spectrum    1 weight  0.10000E+01 volume  0.51639E-03 ppm1      0.523 ppm2      0.251 CV     1
 ASSI { 1901}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 73   and name HA  ))
      3.300     1.300     1.300 peak  1901 spectrum    1 weight  0.10000E+01 volume  0.15132E-02 ppm1      0.625 ppm2      3.677 CV     1
 ASSI { 1903}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 75   and name HB1 ))
      3.100     1.200     1.200 peak  1903 spectrum    1 weight  0.10000E+01 volume  0.36850E-03 ppm1      0.623 ppm2      3.138 CV     1
 OR { 1903}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 75   and name HB2 ))
 ASSI { 1905}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 76   and name HB  ))
      2.300     0.600     0.600 peak  1905 spectrum    1 weight  0.10000E+01 volume  0.46970E-02 ppm1      0.623 ppm2      1.774 CV     1
 ASSI { 1906}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 76   and name HG11))
      2.100     0.500     0.500 peak  1906 spectrum    1 weight  0.10000E+01 volume  0.61585E-02 ppm1      0.624 ppm2      1.987 CV     1
 ASSI { 1907}
   (  segid "    " and resid 76   and name HD1%)
   (  segid "    " and resid 72   and name HB% )
      2.700     0.900     0.900 peak  1907 spectrum    1 weight  0.10000E+01 volume  0.18582E-02 ppm1      0.625 ppm2      1.602 CV     1
 ASSI { 1908}
   (  segid "    " and resid 76   and name HD1%)
   (  segid "    " and resid 50   and name HB% )
      2.900     1.000     1.000 peak  1908 spectrum    1 weight  0.10000E+01 volume  0.28577E-02 ppm1      0.623 ppm2      1.500 CV     1
 ASSI { 1909}
   (  segid "    " and resid 76   and name HD1%)
   (  segid "    " and resid 54   and name HD% )
      3.100     1.200     1.200 peak  1909 spectrum    1 weight  0.10000E+01 volume  0.22246E-02 ppm1      0.624 ppm2      7.462 CV     1
 OR { 1909}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 54   and name HZ  ))
 ASSI { 1910}
   (  segid "    " and resid 76   and name HD1%)
   (  segid "    " and resid 54   and name HE% )
      3.100     1.200     1.200 peak  1910 spectrum    1 weight  0.10000E+01 volume  0.68767E-03 ppm1      0.626 ppm2      7.134 CV     1
 ASSI { 1911}
   (  segid "    " and resid 76   and name HD1%)
   (  segid "    " and resid 75   and name HD% )
      2.700     2.700     3.300 peak  1911 spectrum    1 weight  0.10000E+01 volume  0.77227E-03 ppm1      0.627 ppm2      6.829 CV     1
 ASSI { 1913}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HN  ))
      2.600     0.800     0.800 peak  1913 spectrum    1 weight  0.10000E+01 volume  0.28852E-02 ppm1      3.893 ppm2      8.498 CV     1
 ASSI { 1915}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 77   and name HN  ))
      2.400     0.700     0.700 peak  1915 spectrum    1 weight  0.10000E+01 volume  0.25470E-02 ppm1      1.684 ppm2      8.499 CV     1
 ASSI { 1916}
   (( segid "    " and resid 77   and name HG  ))
   (( segid "    " and resid 77   and name HN  ))
      2.600     0.800     0.800 peak  1916 spectrum    1 weight  0.10000E+01 volume  0.15715E-02 ppm1      1.626 ppm2      8.496 CV     1
 ASSI { 1917}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 77   and name HA  ))
      2.300     0.600     0.600 peak  1917 spectrum    1 weight  0.10000E+01 volume  0.57552E-02 ppm1      0.827 ppm2      3.893 CV     1
 OR { 1917}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 77   and name HA  ))
 ASSI { 1918}
   (( segid "    " and resid 77   and name HG  ))
   (( segid "    " and resid 77   and name HA  ))
      3.200     1.300     1.300 peak  1918 spectrum    1 weight  0.10000E+01 volume  0.11819E-02 ppm1      1.630 ppm2      3.903 CV     1
 ASSI { 1919}
   (( segid "    " and resid 77   and name HB1 ))
   (( segid "    " and resid 77   and name HA  ))
      2.500     0.800     0.800 peak  1919 spectrum    1 weight  0.10000E+01 volume  0.26949E-02 ppm1      1.764 ppm2      3.906 CV     1
 ASSI { 1920}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 77   and name HA  ))
      2.900     1.100     1.100 peak  1920 spectrum    1 weight  0.10000E+01 volume  0.25388E-02 ppm1      1.684 ppm2      3.904 CV     1
 ASSI { 1924}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 80   and name HE21))
      3.300     1.300     1.300 peak  1924 spectrum    1 weight  0.10000E+01 volume  0.10850E-02 ppm1      3.898 ppm2      7.641 CV     1
 ASSI { 1926}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 4    and name HA  ))
      2.800     1.000     1.000 peak  1926 spectrum    1 weight  0.10000E+01 volume  0.25010E-02 ppm1      0.824 ppm2      3.696 CV     1
 OR { 1926}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 4    and name HA  ))
 ASSI { 1928}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 78   and name HN  ))
      5.100     3.200     0.900 peak  1928 spectrum    1 weight  0.10000E+01 volume  0.41772E-03 ppm1      0.823 ppm2      8.263 CV     1
 OR { 1928}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 78   and name HN  ))
 ASSI { 1929}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 77   and name HN  ))
      4.300     2.300     1.700 peak  1929 spectrum    1 weight  0.10000E+01 volume  0.81057E-03 ppm1      0.822 ppm2      8.510 CV     1
 OR { 1929}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 77   and name HN  ))
 ASSI { 1930}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 4    and name HN  ))
      3.200     1.300     1.300 peak  1930 spectrum    1 weight  0.10000E+01 volume  0.12468E-02 ppm1      0.823 ppm2      9.240 CV     1
 OR { 1930}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 4    and name HN  ))
 ASSI { 1936}
   (( segid "    " and resid 77   and name HB1 ))
   (  segid "    " and resid 76   and name HG2%)
      4.100     2.100     1.900 peak  1936 spectrum    1 weight  0.10000E+01 volume  0.12714E-02 ppm1      1.761 ppm2      0.526 CV     1
 ASSI { 1937}
   (( segid "    " and resid 77   and name HB2 ))
   (  segid "    " and resid 76   and name HG2%)
      4.000     2.000     2.000 peak  1937 spectrum    1 weight  0.10000E+01 volume  0.12059E-02 ppm1      1.683 ppm2      0.531 CV     1
 ASSI { 1938}
   (( segid "    " and resid 77   and name HB1 ))
   (  segid "    " and resid 77   and name HD2%)
      2.500     0.800     0.800 peak  1938 spectrum    1 weight  0.10000E+01 volume  0.41320E-02 ppm1      1.764 ppm2      0.829 CV     1
 OR { 1938}
   (( segid "    " and resid 77   and name HB1 ))
   (  segid "    " and resid 77   and name HD1%)
 ASSI { 1939}
   (( segid "    " and resid 77   and name HB2 ))
   (  segid "    " and resid 77   and name HD1%)
      2.700     0.900     0.900 peak  1939 spectrum    1 weight  0.10000E+01 volume  0.34302E-02 ppm1      1.680 ppm2      0.829 CV     1
 OR { 1939}
   (( segid "    " and resid 77   and name HB2 ))
   (  segid "    " and resid 77   and name HD2%)
 ASSI { 1940}
   (( segid "    " and resid 77   and name HA  ))
   (  segid "    " and resid 76   and name HG2%)
      2.500     0.800     0.800 peak  1940 spectrum    1 weight  0.10000E+01 volume  0.44363E-02 ppm1      3.892 ppm2      0.526 CV     1
 ASSI { 1942}
   (( segid "    " and resid 77   and name HG  ))
   (  segid "    " and resid 76   and name HG2%)
      3.600     1.600     1.600 peak  1942 spectrum    1 weight  0.10000E+01 volume  0.13542E-02 ppm1      1.625 ppm2      0.523 CV     1
 ASSI { 1943}
   (  segid "    " and resid 77   and name HD2%)
   (  segid "    " and resid 76   and name HG2%)
      2.800     1.000     1.000 peak  1943 spectrum    1 weight  0.10000E+01 volume  0.54714E-02 ppm1      0.826 ppm2      0.529 CV     1
 OR { 1943}
   (  segid "    " and resid 77   and name HD1%)
   (  segid "    " and resid 76   and name HG2%)
 ASSI { 1944}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 80   and name HG2 ))
      2.700     0.900     0.900 peak  1944 spectrum    1 weight  0.10000E+01 volume  0.11727E-02 ppm1      3.897 ppm2      2.586 CV     1
 ASSI { 1947}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 78   and name HN  ))
      2.800     1.000     1.000 peak  1947 spectrum    1 weight  0.10000E+01 volume  0.24406E-02 ppm1      2.224 ppm2      8.252 CV     1
 ASSI { 1948}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HN  ))
      2.700     0.900     0.900 peak  1948 spectrum    1 weight  0.10000E+01 volume  0.40767E-02 ppm1      4.384 ppm2      8.252 CV     1
 ASSI { 1949}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 79   and name HN  ))
      4.500     2.500     1.500 peak  1949 spectrum    1 weight  0.10000E+01 volume  0.47613E-03 ppm1      2.224 ppm2      7.713 CV     1
 ASSI { 1950}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 79   and name HN  ))
      3.300     1.400     1.400 peak  1950 spectrum    1 weight  0.10000E+01 volume  0.14303E-02 ppm1      4.386 ppm2      7.713 CV     1
 ASSI { 1952}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 78   and name HA  ))
      2.800     0.900     0.900 peak  1952 spectrum    1 weight  0.10000E+01 volume  0.32099E-02 ppm1      2.224 ppm2      4.382 CV     1
 ASSI { 1954}
   (( segid "    " and resid 78   and name HB1 ))
   (( segid "    " and resid 75   and name HA  ))
      3.400     1.400     1.400 peak  1954 spectrum    1 weight  0.10000E+01 volume  0.10246E-02 ppm1      2.535 ppm2      4.232 CV     1
 ASSI { 1955}
   (( segid "    " and resid 79   and name HD2 ))
   (( segid "    " and resid 79   and name HB1 ))
      4.000     2.000     2.000 peak  1955 spectrum    1 weight  0.10000E+01 volume  0.89766E-03 ppm1      7.002 ppm2      3.593 CV     1
 ASSI { 1956}
   (( segid "    " and resid 79   and name HD2 ))
   (( segid "    " and resid 79   and name HB2 ))
      3.200     1.200     1.200 peak  1956 spectrum    1 weight  0.10000E+01 volume  0.10172E-02 ppm1      7.002 ppm2      2.505 CV     1
 ASSI { 1958}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 79   and name HA  ))
      3.300     1.300     1.300 peak  1958 spectrum    1 weight  0.10000E+01 volume  0.14564E-02 ppm1      2.503 ppm2      4.626 CV     1
 ASSI { 1959}
   (( segid "    " and resid 79   and name HB1 ))
   (  segid "    " and resid 56   and name HG2%)
      2.800     1.000     1.000 peak  1959 spectrum    1 weight  0.10000E+01 volume  0.12489E-02 ppm1      3.579 ppm2      0.957 CV     1
 ASSI { 1960}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 56   and name HG2%)
      3.100     1.200     1.200 peak  1960 spectrum    1 weight  0.10000E+01 volume  0.15719E-02 ppm1      2.509 ppm2      0.952 CV     1
 ASSI { 1961}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 80   and name HN  ))
      4.100     2.100     1.900 peak  1961 spectrum    1 weight  0.10000E+01 volume  0.56116E-03 ppm1      3.582 ppm2      7.868 CV     1
 ASSI { 1962}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 79   and name HN  ))
      3.800     1.800     1.800 peak  1962 spectrum    1 weight  0.10000E+01 volume  0.13144E-02 ppm1      3.584 ppm2      7.711 CV     1
 ASSI { 1966}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 79   and name HB1 ))
      2.700     0.900     0.900 peak  1966 spectrum    1 weight  0.10000E+01 volume  0.29364E-02 ppm1      4.628 ppm2      3.584 CV     1
 ASSI { 1967}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HN  ))
      2.700     0.900     0.900 peak  1967 spectrum    1 weight  0.10000E+01 volume  0.26198E-02 ppm1      4.412 ppm2      7.861 CV     1
 ASSI { 1971}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 81   and name HN  ))
      2.900     1.000     1.000 peak  1971 spectrum    1 weight  0.10000E+01 volume  0.11744E-02 ppm1      2.149 ppm2      8.302 CV     1
 ASSI { 1972}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 81   and name HN  ))
      2.200     0.600     0.600 peak  1972 spectrum    1 weight  0.10000E+01 volume  0.92869E-02 ppm1      4.412 ppm2      8.302 CV     1
 ASSI { 1975}
   (( segid "    " and resid 80   and name HG1 ))
   (( segid "    " and resid 79   and name HN  ))
      4.000     2.000     2.000 peak  1975 spectrum    1 weight  0.10000E+01 volume  0.20751E-02 ppm1      2.705 ppm2      7.719 CV     1
 ASSI { 1976}
   (( segid "    " and resid 80   and name HG2 ))
   (( segid "    " and resid 79   and name HN  ))
      3.400     1.400     1.400 peak  1976 spectrum    1 weight  0.10000E+01 volume  0.18249E-02 ppm1      2.593 ppm2      7.720 CV     1
 ASSI { 1979}
   (( segid "    " and resid 80   and name HG2 ))
   (( segid "    " and resid 80   and name HA  ))
      3.900     1.900     1.900 peak  1979 spectrum    1 weight  0.10000E+01 volume  0.84681E-03 ppm1      2.599 ppm2      4.422 CV     1
 ASSI { 1980}
   (( segid "    " and resid 80   and name HG1 ))
   (( segid "    " and resid 80   and name HA  ))
      3.900     1.900     1.900 peak  1980 spectrum    1 weight  0.10000E+01 volume  0.81094E-03 ppm1      2.710 ppm2      4.407 CV     1
 ASSI { 1981}
   (( segid "    " and resid 80   and name HG1 ))
   (( segid "    " and resid 77   and name HA  ))
      3.800     1.800     1.800 peak  1981 spectrum    1 weight  0.10000E+01 volume  0.85767E-03 ppm1      2.719 ppm2      3.896 CV     1
 ASSI { 1986}
   (( segid "    " and resid 80   and name HB1 ))
   (  segid "    " and resid 76   and name HG2%)
      3.600     1.700     1.700 peak  1986 spectrum    1 weight  0.10000E+01 volume  0.68258E-03 ppm1      2.337 ppm2      0.529 CV     1
 ASSI { 1988}
   (( segid "    " and resid 80   and name HA  ))
   (  segid "    " and resid 56   and name HG2%)
      2.400     0.700     0.700 peak  1988 spectrum    1 weight  0.10000E+01 volume  0.35464E-02 ppm1      4.410 ppm2      0.954 CV     1
 OR { 1988}
   (( segid "    " and resid 80   and name HA  ))
   (  segid "    " and resid 56   and name HG1%)
 ASSI { 1989}
   (( segid "    " and resid 80   and name HA  ))
   (  segid "    " and resid 81   and name HB% )
      4.400     2.400     1.600 peak  1989 spectrum    1 weight  0.10000E+01 volume  0.53915E-03 ppm1      4.418 ppm2      1.427 CV     1
 ASSI { 1990}
   (( segid "    " and resid 80   and name HG1 ))
   (( segid "    " and resid 80   and name HB2 ))
      2.600     0.800     0.800 peak  1990 spectrum    1 weight  0.10000E+01 volume  0.23298E-02 ppm1      2.709 ppm2      2.144 CV     1
 ASSI { 1991}
   (( segid "    " and resid 80   and name HG2 ))
   (( segid "    " and resid 80   and name HB2 ))
      3.100     1.200     1.200 peak  1991 spectrum    1 weight  0.10000E+01 volume  0.22342E-02 ppm1      2.597 ppm2      2.144 CV     1
 ASSI { 1992}
   (( segid "    " and resid 80   and name HG1 ))
   (( segid "    " and resid 80   and name HB1 ))
      3.000     1.100     1.100 peak  1992 spectrum    1 weight  0.10000E+01 volume  0.28081E-02 ppm1      2.709 ppm2      2.341 CV     1
 ASSI { 1993}
   (( segid "    " and resid 80   and name HG2 ))
   (( segid "    " and resid 80   and name HB1 ))
      2.400     0.700     0.700 peak  1993 spectrum    1 weight  0.10000E+01 volume  0.26695E-02 ppm1      2.593 ppm2      2.339 CV     1
 ASSI { 1996}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HB1 ))
      2.200     0.600     0.600 peak  1996 spectrum    1 weight  0.10000E+01 volume  0.55701E-02 ppm1      4.412 ppm2      2.333 CV     1
 ASSI { 1997}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HB2 ))
      2.300     0.700     0.700 peak  1997 spectrum    1 weight  0.10000E+01 volume  0.48640E-02 ppm1      4.411 ppm2      2.144 CV     1
 ASSI { 1998}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 81   and name HN  ))
      2.800     1.000     1.000 peak  1998 spectrum    1 weight  0.10000E+01 volume  0.30432E-02 ppm1      4.178 ppm2      8.301 CV     1
 ASSI { 1999}
   (  segid "    " and resid 81   and name HB% )
   (( segid "    " and resid 81   and name HN  ))
      2.500     0.800     0.800 peak  1999 spectrum    1 weight  0.10000E+01 volume  0.63348E-02 ppm1      1.435 ppm2      8.302 CV     1
 ASSI { 2000}
   (  segid "    " and resid 81   and name HB% )
   (( segid "    " and resid 81   and name HA  ))
      2.500     0.800     0.800 peak  2000 spectrum    1 weight  0.10000E+01 volume  0.61304E-02 ppm1      1.434 ppm2      4.177 CV     1
 ASSI { 2009}
   (  segid "    " and resid 1    and name HB% )
   (( segid "    " and resid 80   and name HG2 ))
      3.800     1.800     1.800 peak  2009 spectrum    1 weight  0.10000E+01 volume  0.10925E-02 ppm1      1.519 ppm2      2.590 CV     1
 ASSI { 2011}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 2    and name HA  ))
      4.000     2.000     2.000 peak  2011 spectrum    1 weight  0.10000E+01 volume  0.82130E-03 ppm1      4.032 ppm2      4.807 CV     1
 ASSI { 2012}
   (  segid "    " and resid 1    and name HB% )
   (( segid "    " and resid 2    and name HA  ))
      4.200     2.300     1.800 peak  2012 spectrum    1 weight  0.10000E+01 volume  0.63576E-03 ppm1      1.519 ppm2      4.834 CV     1
 ASSI { 2018}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HE1 ))
      4.100     2.100     1.900 peak  2018 spectrum    1 weight  0.10000E+01 volume  0.76584E-03 ppm1      1.539 ppm2      3.036 CV     1
 OR { 2018}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HE2 ))
 ASSI { 2020}
   (( segid "    " and resid 43   and name HG1 ))
   (( segid "    " and resid 44   and name HN  ))
      2.800     1.000     1.000 peak  2020 spectrum    1 weight  0.10000E+01 volume  0.39634E-02 ppm1      2.232 ppm2      7.251 CV     1
 OR { 2020}
   (( segid "    " and resid 43   and name HG2 ))
   (( segid "    " and resid 44   and name HN  ))
 ASSI { 2021}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 13   and name HN  ))
      3.800     1.800     1.800 peak  2021 spectrum    1 weight  0.10000E+01 volume  0.11439E-02 ppm1      2.237 ppm2      7.950 CV     1
 ASSI { 2022}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HN  ))
      2.800     1.000     1.000 peak  2022 spectrum    1 weight  0.10000E+01 volume  0.15220E-02 ppm1      1.370 ppm2      7.505 CV     1
 ASSI { 2028}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 69   and name HN  ))
      1.900     0.500     0.500 peak  2028 spectrum    1 weight  0.10000E+01 volume  0.48914E-02 ppm1      4.330 ppm2      8.124 CV     1
 ASSI { 2030}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 38   and name HN  ))
      3.900     1.900     1.900 peak  2030 spectrum    1 weight  0.10000E+01 volume  0.76683E-03 ppm1      4.110 ppm2      8.050 CV     1
 ASSI { 2032}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 27   and name HA  ))
      4.000     2.000     2.000 peak  2032 spectrum    1 weight  0.10000E+01 volume  0.30537E-03 ppm1      0.654 ppm2      4.626 CV     1
 ASSI { 2033}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 3    and name HA  ))
      4.600     2.600     1.400 peak  2033 spectrum    1 weight  0.10000E+01 volume  0.35663E-03 ppm1      1.570 ppm2      4.431 CV     1
 ASSI { 2034}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 6    and name HA  ))
      5.800     4.200     0.200 peak  2034 spectrum    1 weight  0.10000E+01 volume  0.32739E-03 ppm1      1.568 ppm2      4.133 CV     1
 ASSI { 2035}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 54   and name HB2 ))
      6.000     4.800     0.000 peak  2035 spectrum    1 weight  0.10000E+01 volume  0.12206E-03 ppm1      1.566 ppm2      2.771 CV     1
 ASSI { 2043}
   (  segid "    " and resid 56   and name HG1%)
   (( segid "    " and resid 80   and name HA  ))
      4.400     2.400     1.600 peak  2043 spectrum    1 weight  0.10000E+01 volume  0.14216E-02 ppm1      0.930 ppm2      4.409 CV     1
 ASSI { 2045}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 40   and name H42B))
      3.900     1.900     1.900 peak  2045 spectrum    1 weight  0.10000E+01 volume  0.43536E-03 ppm1      0.779 ppm2      3.308 CV     1
 ASSI { 2046}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 40   and name H43A))
      6.000     5.700     0.000 peak  2046 spectrum    1 weight  0.10000E+01 volume  0.10945E-03 ppm1      0.774 ppm2      2.846 CV     1
 ASSI { 2047}
   (  segid "    " and resid 63   and name HG1%)
   (( segid "    " and resid 40   and name H42A))
      4.700     2.700     1.300 peak  2047 spectrum    1 weight  0.10000E+01 volume  0.56840E-03 ppm1      0.781 ppm2      3.103 CV     1
 ASSI { 2049}
   (  segid "    " and resid 1    and name HB% )
   (( segid "    " and resid 3    and name HA  ))
      4.600     2.700     1.400 peak  2049 spectrum    1 weight  0.10000E+01 volume  0.25205E-03 ppm1      1.521 ppm2      4.429 CV     1
 ASSI { 2052}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 80   and name HE22))
      4.200     2.200     1.800 peak  2052 spectrum    1 weight  0.10000E+01 volume  0.37873E-03 ppm1      4.025 ppm2      7.686 CV     1
 OR { 2052}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 80   and name HE21))
 ASSI { 2053}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 80   and name HE21))
      4.400     2.400     1.600 peak  2053 spectrum    1 weight  0.10000E+01 volume  0.42081E-03 ppm1      4.030 ppm2      7.660 CV     1
 ASSI { 2055}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 80   and name HG2 ))
      4.600     2.600     1.400 peak  2055 spectrum    1 weight  0.10000E+01 volume  0.56540E-03 ppm1      1.560 ppm2      2.611 CV     1
 ASSI { 2056}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 54   and name HB1 ))
      4.100     2.100     1.900 peak  2056 spectrum    1 weight  0.10000E+01 volume  0.21600E-03 ppm1      1.575 ppm2      3.410 CV     1
 ASSI { 2057}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 6    and name HA  ))
      5.600     4.000     0.400 peak  2057 spectrum    1 weight  0.10000E+01 volume  0.29554E-03 ppm1      1.360 ppm2      4.158 CV     1
 ASSI { 2059}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 6    and name HG1 ))
      4.000     2.000     2.000 peak  2059 spectrum    1 weight  0.10000E+01 volume  0.67515E-03 ppm1      1.363 ppm2      2.441 CV     1
 OR { 2059}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 6    and name HB1 ))
 ASSI { 2061}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 2    and name HN  ))
      4.100     2.100     1.900 peak  2061 spectrum    1 weight  0.10000E+01 volume  0.53615E-03 ppm1      1.365 ppm2      8.852 CV     1
 ASSI { 2063}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 16   and name HN  ))
      4.600     2.600     1.400 peak  2063 spectrum    1 weight  0.10000E+01 volume  0.41310E-03 ppm1      1.540 ppm2      8.663 CV     1
 ASSI { 2065}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 21   and name HA  ))
      5.100     3.300     0.900 peak  2065 spectrum    1 weight  0.10000E+01 volume  0.37246E-03 ppm1      1.533 ppm2      4.328 CV     1
 ASSI { 2066}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 5    and name HN  ))
      4.900     3.000     1.100 peak  2066 spectrum    1 weight  0.10000E+01 volume  0.41288E-03 ppm1      4.434 ppm2      8.864 CV     1
 ASSI { 2068}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 6    and name HN  ))
      4.000     2.000     2.000 peak  2068 spectrum    1 weight  0.10000E+01 volume  0.65518E-03 ppm1      4.441 ppm2      7.692 CV     1
 ASSI { 2070}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 2    and name HA  ))
      4.200     2.200     1.800 peak  2070 spectrum    1 weight  0.10000E+01 volume  0.48661E-03 ppm1      4.441 ppm2      4.837 CV     1
 ASSI { 2073}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 7    and name HG12))
      4.800     2.900     1.200 peak  2073 spectrum    1 weight  0.10000E+01 volume  0.45677E-03 ppm1      3.700 ppm2      0.261 CV     1
 ASSI { 2074}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 6    and name HN  ))
      3.800     1.800     1.800 peak  2074 spectrum    1 weight  0.10000E+01 volume  0.40776E-03 ppm1      3.706 ppm2      7.697 CV     1
 ASSI { 2075}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 3    and name HN  ))
      4.100     2.100     1.900 peak  2075 spectrum    1 weight  0.10000E+01 volume  0.38719E-03 ppm1      3.711 ppm2      8.509 CV     1
 ASSI { 2076}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 3    and name HB  ))
      5.300     3.500     0.700 peak  2076 spectrum    1 weight  0.10000E+01 volume  0.31127E-03 ppm1      3.713 ppm2      4.717 CV     1
 ASSI { 2077}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 5    and name HN  ))
      4.700     2.800     1.300 peak  2077 spectrum    1 weight  0.10000E+01 volume  0.44991E-03 ppm1      4.123 ppm2      8.870 CV     1
 ASSI { 2080}
   (( segid "    " and resid 4    and name HG2 ))
   (( segid "    " and resid 4    and name HE21))
      3.400     1.400     1.400 peak  2080 spectrum    1 weight  0.10000E+01 volume  0.24911E-03 ppm1      2.159 ppm2      6.821 CV     1
 ASSI { 2081}
   (( segid "    " and resid 4    and name HG1 ))
   (( segid "    " and resid 5    and name HN  ))
      4.700     2.800     1.300 peak  2081 spectrum    1 weight  0.10000E+01 volume  0.49807E-03 ppm1      2.234 ppm2      8.864 CV     1
 ASSI { 2082}
   (( segid "    " and resid 4    and name HG2 ))
   (( segid "    " and resid 5    and name HA  ))
      4.300     2.300     1.700 peak  2082 spectrum    1 weight  0.10000E+01 volume  0.30103E-03 ppm1      2.177 ppm2      3.928 CV     1
 ASSI { 2084}
   (( segid "    " and resid 4    and name HB1 ))
   (  segid "    " and resid 73   and name HG2%)
      5.000     3.100     1.000 peak  2084 spectrum    1 weight  0.10000E+01 volume  0.49770E-03 ppm1      2.174 ppm2      1.119 CV     1
 ASSI { 2085}
   (( segid "    " and resid 6    and name HG2 ))
   (( segid "    " and resid 7    and name HG11))
      4.700     2.800     1.300 peak  2085 spectrum    1 weight  0.10000E+01 volume  0.65630E-03 ppm1      2.371 ppm2      1.558 CV     1
 ASSI { 2086}
   (( segid "    " and resid 6    and name HG1 ))
   (  segid "    " and resid 3    and name HG2%)
      4.100     2.100     1.900 peak  2086 spectrum    1 weight  0.10000E+01 volume  0.32517E-03 ppm1      2.430 ppm2      1.375 CV     1
 ASSI { 2089}
   (( segid "    " and resid 6    and name HG2 ))
   (( segid "    " and resid 3    and name HN  ))
      4.500     2.500     1.500 peak  2089 spectrum    1 weight  0.10000E+01 volume  0.50069E-03 ppm1      2.372 ppm2      8.537 CV     1
 ASSI { 2090}
   (( segid "    " and resid 6    and name HG2 ))
   (( segid "    " and resid 7    and name HN  ))
      4.800     2.800     1.200 peak  2090 spectrum    1 weight  0.10000E+01 volume  0.51249E-03 ppm1      2.371 ppm2      8.391 CV     1
 ASSI { 2093}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 2    and name HA  ))
      5.100     3.200     0.900 peak  2093 spectrum    1 weight  0.10000E+01 volume  0.23279E-03 ppm1      2.123 ppm2      4.816 CV     1
 ASSI { 2094}
   (( segid "    " and resid 6    and name HB1 ))
   (( segid "    " and resid 2    and name HA  ))
      4.800     2.900     1.200 peak  2094 spectrum    1 weight  0.10000E+01 volume  0.43508E-03 ppm1      2.502 ppm2      4.808 CV     1
 ASSI { 2097}
   (( segid "    " and resid 6    and name HB2 ))
   (  segid "    " and resid 3    and name HG2%)
      5.100     3.200     0.900 peak  2097 spectrum    1 weight  0.10000E+01 volume  0.27468E-03 ppm1      2.118 ppm2      1.366 CV     1
 ASSI { 2101}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 53   and name HG1 ))
      4.200     2.300     1.800 peak  2101 spectrum    1 weight  0.10000E+01 volume  0.64600E-03 ppm1      3.891 ppm2      0.851 CV     1
 ASSI { 2104}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 6    and name HB2 ))
      4.300     2.300     1.700 peak  2104 spectrum    1 weight  0.10000E+01 volume  0.26230E-03 ppm1      3.883 ppm2      2.113 CV     1
 ASSI { 2105}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 8    and name HA  ))
      4.100     2.100     1.900 peak  2105 spectrum    1 weight  0.10000E+01 volume  0.39637E-03 ppm1      3.894 ppm2      3.381 CV     1
 ASSI { 2106}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 6    and name HN  ))
      4.900     3.000     1.100 peak  2106 spectrum    1 weight  0.10000E+01 volume  0.35092E-03 ppm1      1.790 ppm2      7.666 CV     1
 ASSI { 2108}
   (( segid "    " and resid 7    and name HG12))
   (( segid "    " and resid 54   and name HZ  ))
      4.000     2.000     2.000 peak  2108 spectrum    1 weight  0.10000E+01 volume  0.31231E-03 ppm1      0.261 ppm2      7.471 CV     1
 OR { 2108}
   (( segid "    " and resid 7    and name HG12))
   (  segid "    " and resid 54   and name HD% )
 ASSI { 2109}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 11   and name HN  ))
      4.100     2.100     1.900 peak  2109 spectrum    1 weight  0.10000E+01 volume  0.37939E-03 ppm1      0.560 ppm2      9.240 CV     1
 ASSI { 2111}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 80   and name HG1 ))
      5.100     3.300     0.900 peak  2111 spectrum    1 weight  0.10000E+01 volume  0.33775E-03 ppm1      0.528 ppm2      2.700 CV     1
 ASSI { 2112}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 80   and name HG2 ))
      4.800     2.800     1.200 peak  2112 spectrum    1 weight  0.10000E+01 volume  0.28553E-03 ppm1      0.530 ppm2      2.600 CV     1
 ASSI { 2113}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 6    and name HB1 ))
      5.300     3.500     0.700 peak  2113 spectrum    1 weight  0.10000E+01 volume  0.26708E-03 ppm1      0.538 ppm2      2.457 CV     1
 ASSI { 2114}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 4    and name HB1 ))
      4.600     2.700     1.400 peak  2114 spectrum    1 weight  0.10000E+01 volume  0.53331E-03 ppm1      0.528 ppm2      2.198 CV     1
 OR { 2114}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 4    and name HG2 ))
 OR { 2114}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 4    and name HG1 ))
 ASSI { 2117}
   (  segid "    " and resid 7    and name HD1%)
   (( segid "    " and resid 3    and name HB  ))
      3.400     3.400     2.600 peak  2117 spectrum    1 weight  0.10000E+01 volume  0.18887E-03 ppm1      0.527 ppm2      4.712 CV     1
 ASSI { 2118}
   (  segid "    " and resid 7    and name HD1%)
   (  segid "    " and resid 54   and name HE% )
      5.200     3.400     0.800 peak  2118 spectrum    1 weight  0.10000E+01 volume  0.31571E-03 ppm1      0.524 ppm2      7.136 CV     1
 ASSI { 2126}
   (( segid "    " and resid 8    and name HB  ))
   (( segid "    " and resid 9    and name HA  ))
      5.000     3.100     1.000 peak  2126 spectrum    1 weight  0.10000E+01 volume  0.32901E-03 ppm1      2.031 ppm2      4.211 CV     1
 ASSI { 2127}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 70   and name HA2 ))
      4.800     2.900     1.200 peak  2127 spectrum    1 weight  0.10000E+01 volume  0.27140E-03 ppm1      1.051 ppm2      3.805 CV     1
 ASSI { 2131}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 27   and name HA  ))
      5.100     3.200     0.900 peak  2131 spectrum    1 weight  0.10000E+01 volume  0.23658E-03 ppm1      1.046 ppm2      4.624 CV     1
 ASSI { 2138}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      4.800     2.800     1.200 peak  2138 spectrum    1 weight  0.10000E+01 volume  0.13643E-03 ppm1      4.217 ppm2      9.234 CV     1
 ASSI { 2140}
   (  segid "    " and resid 9    and name HB% )
   (( segid "    " and resid 11   and name HN  ))
      5.300     3.500     0.700 peak  2140 spectrum    1 weight  0.10000E+01 volume  0.21198E-03 ppm1      1.519 ppm2      9.246 CV     1
 ASSI { 2151}
   (( segid "    " and resid 10   and name HA1 ))
   (( segid "    " and resid 53   and name HD1 ))
      4.300     2.300     1.700 peak  2151 spectrum    1 weight  0.10000E+01 volume  0.34065E-03 ppm1      4.072 ppm2      2.887 CV     1
 ASSI { 2153}
   (( segid "    " and resid 10   and name HA1 ))
   (( segid "    " and resid 12   and name HN  ))
      4.600     2.700     1.400 peak  2153 spectrum    1 weight  0.10000E+01 volume  0.40096E-03 ppm1      4.073 ppm2      8.917 CV     1
 ASSI { 2156}
   (( segid "    " and resid 10   and name HA2 ))
   (( segid "    " and resid 13   and name HB2 ))
      3.500     1.500     1.500 peak  2156 spectrum    1 weight  0.10000E+01 volume  0.45662E-03 ppm1      3.876 ppm2      2.225 CV     1
 ASSI { 2157}
   (( segid "    " and resid 10   and name HA2 ))
   (( segid "    " and resid 53   and name HD1 ))
      4.600     2.700     1.400 peak  2157 spectrum    1 weight  0.10000E+01 volume  0.23774E-03 ppm1      3.887 ppm2      2.878 CV     1
 ASSI { 2163}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      4.300     2.300     1.700 peak  2163 spectrum    1 weight  0.10000E+01 volume  0.24059E-03 ppm1      4.257 ppm2      7.937 CV     1
 ASSI { 2164}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HN  ))
      2.400     0.700     0.700 peak  2164 spectrum    1 weight  0.10000E+01 volume  0.17959E-02 ppm1      1.288 ppm2      9.241 CV     1
 ASSI { 2166}
   (( segid "    " and resid 11   and name HB2 ))
   (  segid "    " and resid 26   and name HG1%)
      4.500     2.500     1.500 peak  2166 spectrum    1 weight  0.10000E+01 volume  0.48674E-03 ppm1      1.284 ppm2      0.738 CV     1
 ASSI { 2170}
   (( segid "    " and resid 58   and name HG12))
   (  segid "    " and resid 58   and name HG2%)
      2.600     0.800     0.800 peak  2170 spectrum    1 weight  0.10000E+01 volume  0.22505E-02 ppm1      0.843 ppm2      0.330 CV     1
 ASSI { 2171}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 11   and name HB2 ))
      2.500     0.800     0.800 peak  2171 spectrum    1 weight  0.10000E+01 volume  0.30672E-02 ppm1      0.860 ppm2      1.285 CV     1
 ASSI { 2172}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 11   and name HB1 ))
      2.400     0.700     0.700 peak  2172 spectrum    1 weight  0.10000E+01 volume  0.41463E-02 ppm1      0.859 ppm2      2.107 CV     1
 ASSI { 2173}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 12   and name HN  ))
      5.400     3.600     0.600 peak  2173 spectrum    1 weight  0.10000E+01 volume  0.26012E-03 ppm1      0.858 ppm2      8.903 CV     1
 ASSI { 2175}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 10   and name HN  ))
      5.200     3.400     0.800 peak  2175 spectrum    1 weight  0.10000E+01 volume  0.40137E-03 ppm1      0.858 ppm2      8.396 CV     1
 ASSI { 2177}
   (  segid "    " and resid 11   and name HD1%)
   (  segid "    " and resid 32   and name HE% )
      3.600     1.600     1.600 peak  2177 spectrum    1 weight  0.10000E+01 volume  0.48324E-03 ppm1      0.856 ppm2      6.992 CV     1
 ASSI { 2178}
   (( segid "    " and resid 11   and name HG  ))
   (( segid "    " and resid 12   and name HN  ))
      5.200     3.300     0.800 peak  2178 spectrum    1 weight  0.10000E+01 volume  0.32236E-03 ppm1      1.987 ppm2      8.904 CV     1
 ASSI { 2179}
   (( segid "    " and resid 11   and name HG  ))
   (( segid "    " and resid 10   and name HN  ))
      5.600     3.900     0.400 peak  2179 spectrum    1 weight  0.10000E+01 volume  0.24032E-03 ppm1      1.985 ppm2      8.398 CV     1
 ASSI { 2180}
   (( segid "    " and resid 11   and name HG  ))
   (  segid "    " and resid 54   and name HE% )
      3.900     1.900     1.900 peak  2180 spectrum    1 weight  0.10000E+01 volume  0.47928E-03 ppm1      1.996 ppm2      7.126 CV     1
 ASSI { 2181}
   (( segid "    " and resid 11   and name HG  ))
   (( segid "    " and resid 54   and name HZ  ))
      4.900     3.000     1.100 peak  2181 spectrum    1 weight  0.10000E+01 volume  0.80485E-04 ppm1      1.983 ppm2      7.490 CV     1
 OR { 2181}
   (( segid "    " and resid 11   and name HG  ))
   (  segid "    " and resid 54   and name HD% )
 ASSI { 2182}
   (( segid "    " and resid 11   and name HG  ))
   (( segid "    " and resid 8    and name HA  ))
      4.200     2.200     1.800 peak  2182 spectrum    1 weight  0.10000E+01 volume  0.55663E-03 ppm1      1.995 ppm2      3.392 CV     1
 ASSI { 2188}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 32   and name HZ  ))
      3.800     1.800     1.800 peak  2188 spectrum    1 weight  0.10000E+01 volume  0.89528E-03 ppm1      0.893 ppm2      6.869 CV     1
 ASSI { 2189}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
      5.500     3.800     0.500 peak  2189 spectrum    1 weight  0.10000E+01 volume  0.16599E-03 ppm1      4.057 ppm2      1.295 CV     1
 ASSI { 2195}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 26   and name HA  ))
      6.000     4.600     0.000 peak  2195 spectrum    1 weight  0.10000E+01 volume  0.20786E-03 ppm1      4.054 ppm2      3.531 CV     1
 ASSI { 2196}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      4.300     2.300     1.700 peak  2196 spectrum    1 weight  0.10000E+01 volume  0.32208E-03 ppm1      4.065 ppm2      8.686 CV     1
 ASSI { 2197}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      5.300     3.500     0.700 peak  2197 spectrum    1 weight  0.10000E+01 volume  0.24119E-03 ppm1      4.053 ppm2      7.469 CV     1
 ASSI { 2198}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      4.100     2.100     1.900 peak  2198 spectrum    1 weight  0.10000E+01 volume  0.41807E-03 ppm1      4.054 ppm2      8.179 CV     1
 ASSI { 2199}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      4.800     2.900     1.200 peak  2199 spectrum    1 weight  0.10000E+01 volume  0.33119E-03 ppm1      4.053 ppm2      9.229 CV     1
 ASSI { 2200}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 13   and name HG1 ))
      4.800     2.900     1.200 peak  2200 spectrum    1 weight  0.10000E+01 volume  0.21552E-03 ppm1      1.682 ppm2      2.600 CV     1
 ASSI { 2203}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 13   and name HB2 ))
      4.600     2.700     1.400 peak  2203 spectrum    1 weight  0.10000E+01 volume  0.43068E-03 ppm1      1.690 ppm2      2.228 CV     1
 ASSI { 2206}
   (  segid "    " and resid 12   and name HB% )
   (  segid "    " and resid 15   and name HG2%)
      5.000     3.100     1.000 peak  2206 spectrum    1 weight  0.10000E+01 volume  0.51671E-03 ppm1      1.687 ppm2      1.170 CV     1
 ASSI { 2207}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 11   and name HB2 ))
      5.000     3.100     1.000 peak  2207 spectrum    1 weight  0.10000E+01 volume  0.42908E-03 ppm1      1.684 ppm2      1.254 CV     1
 ASSI { 2210}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 10   and name HN  ))
      3.100     3.100     2.900 peak  2210 spectrum    1 weight  0.10000E+01 volume  0.33925E-03 ppm1      1.682 ppm2      8.398 CV     1
 ASSI { 2212}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 14   and name HN  ))
      4.500     2.500     1.500 peak  2212 spectrum    1 weight  0.10000E+01 volume  0.43205E-03 ppm1      1.680 ppm2      8.194 CV     1
 ASSI { 2213}
   (  segid "    " and resid 12   and name HB% )
   (( segid "    " and resid 25   and name HN  ))
      3.900     1.900     1.900 peak  2213 spectrum    1 weight  0.10000E+01 volume  0.53828E-03 ppm1      1.685 ppm2      7.734 CV     1
 ASSI { 2215}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      5.000     3.100     1.000 peak  2215 spectrum    1 weight  0.10000E+01 volume  0.36375E-03 ppm1      3.944 ppm2      8.916 CV     1
 ASSI { 2218}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      5.000     3.200     1.000 peak  2218 spectrum    1 weight  0.10000E+01 volume  0.13174E-03 ppm1      3.823 ppm2      8.691 CV     1
 ASSI { 2219}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      5.700     4.100     0.300 peak  2219 spectrum    1 weight  0.10000E+01 volume  0.12549E-03 ppm1      3.817 ppm2      7.957 CV     1
 ASSI { 2220}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 11   and name HA  ))
      4.700     2.800     1.300 peak  2220 spectrum    1 weight  0.10000E+01 volume  0.41407E-03 ppm1      3.817 ppm2      4.248 CV     1
 ASSI { 2221}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 15   and name HG2%)
      5.300     3.500     0.700 peak  2221 spectrum    1 weight  0.10000E+01 volume  0.21120E-03 ppm1      3.822 ppm2      1.178 CV     1
 ASSI { 2225}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 17   and name HG1 ))
      4.400     2.400     1.600 peak  2225 spectrum    1 weight  0.10000E+01 volume  0.31612E-03 ppm1      3.826 ppm2      2.438 CV     1
 ASSI { 2226}
   (( segid "    " and resid 14   and name HB  ))
   (( segid "    " and resid 16   and name HN  ))
      5.100     3.200     0.900 peak  2226 spectrum    1 weight  0.10000E+01 volume  0.25943E-03 ppm1      2.104 ppm2      8.683 CV     1
 ASSI { 2227}
   (( segid "    " and resid 14   and name HB  ))
   (( segid "    " and resid 13   and name HN  ))
      5.600     4.000     0.400 peak  2227 spectrum    1 weight  0.10000E+01 volume  0.16756E-03 ppm1      2.109 ppm2      7.945 CV     1
 ASSI { 2229}
   (( segid "    " and resid 14   and name HB  ))
   (  segid "    " and resid 11   and name HD2%)
      3.600     1.700     1.700 peak  2229 spectrum    1 weight  0.10000E+01 volume  0.66429E-03 ppm1      2.108 ppm2      0.886 CV     1
 ASSI { 2231}
   (( segid "    " and resid 14   and name HB  ))
   (( segid "    " and resid 17   and name HG1 ))
      4.400     2.400     1.600 peak  2231 spectrum    1 weight  0.10000E+01 volume  0.90815E-03 ppm1      2.115 ppm2      2.455 CV     1
 ASSI { 2232}
   (( segid "    " and resid 14   and name HG12))
   (( segid "    " and resid 11   and name HA  ))
      4.700     2.800     1.300 peak  2232 spectrum    1 weight  0.10000E+01 volume  0.24724E-03 ppm1      1.061 ppm2      4.254 CV     1
 ASSI { 2233}
   (( segid "    " and resid 14   and name HG11))
   (( segid "    " and resid 11   and name HA  ))
      5.000     3.200     1.000 peak  2233 spectrum    1 weight  0.10000E+01 volume  0.38005E-03 ppm1      1.987 ppm2      4.255 CV     1
 ASSI { 2235}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 16   and name HN  ))
      4.900     3.000     1.100 peak  2235 spectrum    1 weight  0.10000E+01 volume  0.19975E-03 ppm1      1.066 ppm2      8.683 CV     1
 ASSI { 2236}
   (  segid "    " and resid 14   and name HG2%)
   (( segid "    " and resid 46   and name HN  ))
      5.200     3.400     0.800 peak  2236 spectrum    1 weight  0.10000E+01 volume  0.32701E-03 ppm1      1.066 ppm2      8.107 CV     1
 ASSI { 2240}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 46   and name HA  ))
      5.600     3.900     0.400 peak  2240 spectrum    1 weight  0.10000E+01 volume  0.38513E-03 ppm1      0.743 ppm2      3.445 CV     1
 ASSI { 2244}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 11   and name HB2 ))
      4.900     3.000     1.100 peak  2244 spectrum    1 weight  0.10000E+01 volume  0.30401E-03 ppm1      0.736 ppm2      1.248 CV     1
 ASSI { 2245}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 15   and name HG2%)
      4.800     2.800     1.200 peak  2245 spectrum    1 weight  0.10000E+01 volume  0.58304E-03 ppm1      0.735 ppm2      1.164 CV     1
 ASSI { 2249}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 11   and name HN  ))
      4.300     2.300     1.700 peak  2249 spectrum    1 weight  0.10000E+01 volume  0.33716E-03 ppm1      0.735 ppm2      9.234 CV     1
 ASSI { 2250}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 12   and name HN  ))
      5.900     4.300     0.100 peak  2250 spectrum    1 weight  0.10000E+01 volume  0.10439E-03 ppm1      0.744 ppm2      8.923 CV     1
 ASSI { 2259}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 46   and name HG1%)
      3.800     1.800     1.800 peak  2259 spectrum    1 weight  0.10000E+01 volume  0.54371E-03 ppm1      3.602 ppm2      0.665 CV     1
 ASSI { 2263}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 12   and name HN  ))
      4.700     2.800     1.300 peak  2263 spectrum    1 weight  0.10000E+01 volume  0.28905E-03 ppm1      1.179 ppm2      8.910 CV     1
 ASSI { 2266}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 16   and name HA  ))
      5.500     3.700     0.500 peak  2266 spectrum    1 weight  0.10000E+01 volume  0.22434E-03 ppm1      1.174 ppm2      4.663 CV     1
 ASSI { 2273}
   (  segid "    " and resid 15   and name HG2%)
   (  segid "    " and resid 69   and name HG1%)
      4.000     2.000     2.000 peak  2273 spectrum    1 weight  0.10000E+01 volume  0.95241E-03 ppm1      1.176 ppm2      0.446 CV     1
 ASSI { 2275}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 21   and name HA  ))
      4.700     2.800     1.300 peak  2275 spectrum    1 weight  0.10000E+01 volume  0.45393E-03 ppm1      0.998 ppm2      4.309 CV     1
 ASSI { 2277}
   (  segid "    " and resid 46   and name HG2%)
   (( segid "    " and resid 47   and name HA  ))
      5.500     3.700     0.500 peak  2277 spectrum    1 weight  0.10000E+01 volume  0.20065E-03 ppm1      0.994 ppm2      3.318 CV     1
 ASSI { 2279}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 16   and name HA  ))
      3.900     1.900     1.900 peak  2279 spectrum    1 weight  0.10000E+01 volume  0.40252E-03 ppm1      1.004 ppm2      4.683 CV     1
 ASSI { 2282}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 13   and name HN  ))
      4.900     3.000     1.100 peak  2282 spectrum    1 weight  0.10000E+01 volume  0.45546E-03 ppm1      0.993 ppm2      7.943 CV     1
 ASSI { 2283}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 19   and name HA  ))
      5.200     3.400     0.800 peak  2283 spectrum    1 weight  0.10000E+01 volume  0.23481E-03 ppm1      1.000 ppm2      4.832 CV     1
 ASSI { 2288}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 14   and name HG2%)
      6.000     6.000     0.000 peak  2288 spectrum    1 weight  0.10000E+01 volume  0.31924E-04 ppm1      3.929 ppm2      1.066 CV     1
 ASSI { 2299}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 18   and name HB  ))
      2.100     0.500     0.500 peak  2299 spectrum    1 weight  0.10000E+01 volume  0.77158E-02 ppm1      0.952 ppm2      1.625 CV     1
 ASSI { 2300}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 19   and name HA  ))
      3.800     1.800     1.800 peak  2300 spectrum    1 weight  0.10000E+01 volume  0.50188E-03 ppm1      0.957 ppm2      4.806 CV     1
 ASSI { 2302}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 19   and name HN  ))
      5.300     3.500     0.700 peak  2302 spectrum    1 weight  0.10000E+01 volume  0.39881E-03 ppm1      0.779 ppm2      8.474 CV     1
 ASSI { 2306}
   (  segid "    " and resid 18   and name HD1%)
   (( segid "    " and resid 45   and name HN  ))
      5.400     3.700     0.600 peak  2306 spectrum    1 weight  0.10000E+01 volume  0.35342E-03 ppm1      0.778 ppm2      6.990 CV     1
 ASSI { 2309}
   (  segid "    " and resid 19   and name HB% )
   (( segid "    " and resid 39   and name HB1 ))
      4.600     2.600     1.400 peak  2309 spectrum    1 weight  0.10000E+01 volume  0.34830E-03 ppm1      1.543 ppm2      3.089 CV     1
 ASSI { 2312}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 39   and name HB1 ))
      4.400     2.500     1.600 peak  2312 spectrum    1 weight  0.10000E+01 volume  0.37090E-03 ppm1      3.956 ppm2      3.077 CV     1
 ASSI { 2314}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 39   and name HN  ))
      4.500     2.500     1.500 peak  2314 spectrum    1 weight  0.10000E+01 volume  0.33672E-03 ppm1      1.895 ppm2      8.299 CV     1
 ASSI { 2315}
   (( segid "    " and resid 63   and name HB  ))
   (( segid "    " and resid 65   and name HN  ))
      5.300     3.500     0.700 peak  2315 spectrum    1 weight  0.10000E+01 volume  0.21138E-03 ppm1      1.890 ppm2      7.281 CV     1
 ASSI { 2329}
   (( segid "    " and resid 41   and name HG  ))
   (( segid "    " and resid 40   and name H28A))
      5.100     3.300     0.900 peak  2329 spectrum    1 weight  0.10000E+01 volume  0.30613E-03 ppm1      1.741 ppm2      3.748 CV     1
 ASSI { 2330}
   (( segid "    " and resid 41   and name HG  ))
   (( segid "    " and resid 40   and name H28B))
      4.700     2.800     1.300 peak  2330 spectrum    1 weight  0.10000E+01 volume  0.31618E-03 ppm1      1.725 ppm2      3.308 CV     1
 ASSI { 2331}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 40   and name H43B))
      4.300     2.300     1.700 peak  2331 spectrum    1 weight  0.10000E+01 volume  0.38744E-03 ppm1      1.294 ppm2      2.952 CV     1
 ASSI { 2332}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 40   and name H43A))
      3.700     1.700     1.700 peak  2332 spectrum    1 weight  0.10000E+01 volume  0.32907E-03 ppm1      1.294 ppm2      2.865 CV     1
 ASSI { 2333}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 40   and name H42B))
      4.700     2.800     1.300 peak  2333 spectrum    1 weight  0.10000E+01 volume  0.41057E-03 ppm1      1.294 ppm2      3.275 CV     1
 ASSI { 2335}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 43   and name HG2 ))
      4.600     2.700     1.400 peak  2335 spectrum    1 weight  0.10000E+01 volume  0.21562E-03 ppm1      1.293 ppm2      2.250 CV     1
 OR { 2335}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 43   and name HG1 ))
 ASSI { 2336}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 32   and name HA  ))
      4.300     2.300     1.700 peak  2336 spectrum    1 weight  0.10000E+01 volume  0.51671E-03 ppm1      1.290 ppm2      4.081 CV     1
 ASSI { 2337}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 34   and name HA  ))
      4.500     2.600     1.500 peak  2337 spectrum    1 weight  0.10000E+01 volume  0.62299E-03 ppm1      1.289 ppm2      4.603 CV     1
 ASSI { 2339}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 72   and name HA  ))
      4.200     2.200     1.800 peak  2339 spectrum    1 weight  0.10000E+01 volume  0.40917E-03 ppm1      2.238 ppm2      4.119 CV     1
 ASSI { 2340}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 71   and name HB2 ))
      4.500     2.500     1.500 peak  2340 spectrum    1 weight  0.10000E+01 volume  0.21613E-03 ppm1      2.246 ppm2      2.935 CV     1
 ASSI { 2342}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 72   and name HA  ))
      4.600     2.600     1.400 peak  2342 spectrum    1 weight  0.10000E+01 volume  0.70209E-03 ppm1      0.896 ppm2      4.110 CV     1
 ASSI { 2343}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 62   and name HB2 ))
      4.800     2.800     1.200 peak  2343 spectrum    1 weight  0.10000E+01 volume  0.25745E-03 ppm1      0.387 ppm2      2.400 CV     1
 OR { 2343}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 62   and name HB1 ))
 ASSI { 2344}
   (  segid "    " and resid 66   and name HD1%)
   (  segid "    " and resid 75   and name HE% )
      4.300     2.300     1.700 peak  2344 spectrum    1 weight  0.10000E+01 volume  0.26987E-03 ppm1      0.382 ppm2      6.559 CV     1
 ASSI { 2346}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 65   and name HN  ))
      3.400     1.400     1.400 peak  2346 spectrum    1 weight  0.10000E+01 volume  0.21583E-03 ppm1      0.376 ppm2      7.266 CV     1
 ASSI { 2347}
   (  segid "    " and resid 76   and name HG2%)
   (  segid "    " and resid 76   and name HD1%)
      2.500     0.800     0.800 peak  2347 spectrum    1 weight  0.10000E+01 volume  0.29094E-02 ppm1      0.527 ppm2      0.638 CV     1
 ASSI { 2349}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 80   and name HG2 ))
      4.600     2.700     1.400 peak  2349 spectrum    1 weight  0.10000E+01 volume  0.14671E-03 ppm1      0.528 ppm2      2.606 CV     1
 ASSI { 2352}
   (  segid "    " and resid 76   and name HG2%)
   (  segid "    " and resid 54   and name HD% )
      3.400     1.400     1.400 peak  2352 spectrum    1 weight  0.10000E+01 volume  0.57268E-03 ppm1      0.527 ppm2      7.460 CV     1
 ASSI { 2355}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 37   and name HN  ))
      3.900     1.900     1.900 peak  2355 spectrum    1 weight  0.10000E+01 volume  0.60745E-03 ppm1      4.088 ppm2      7.304 CV     1
 ASSI { 2357}
   (( segid "    " and resid 43   and name HB2 ))
   (  segid "    " and resid 44   and name HG2%)
      5.000     3.100     1.000 peak  2357 spectrum    1 weight  0.10000E+01 volume  0.36906E-03 ppm1      1.814 ppm2      1.110 CV     1
 ASSI { 2359}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 38   and name HN  ))
      4.400     2.400     1.600 peak  2359 spectrum    1 weight  0.10000E+01 volume  0.46464E-03 ppm1      2.310 ppm2      8.045 CV     1
 ASSI { 2364}
   (( segid "    " and resid 36   and name HG  ))
   (( segid "    " and resid 37   and name HN  ))
      5.300     3.500     0.700 peak  2364 spectrum    1 weight  0.10000E+01 volume  0.18890E-03 ppm1      1.486 ppm2      7.283 CV     1
 ASSI { 2365}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 32   and name HB1 ))
      5.300     3.500     0.700 peak  2365 spectrum    1 weight  0.10000E+01 volume  0.26286E-03 ppm1      0.621 ppm2      3.161 CV     1
 ASSI { 2367}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 35   and name HB2 ))
      5.400     3.700     0.600 peak  2367 spectrum    1 weight  0.10000E+01 volume  0.15750E-03 ppm1      0.629 ppm2      2.704 CV     1
 ASSI { 2368}
   (  segid "    " and resid 36   and name HD1%)
   (  segid "    " and resid 12   and name HB% )
      3.500     3.500     2.500 peak  2368 spectrum    1 weight  0.10000E+01 volume  0.16888E-03 ppm1      0.622 ppm2      1.708 CV     1
 ASSI { 2369}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 38   and name HB  ))
      3.400     3.400     2.600 peak  2369 spectrum    1 weight  0.10000E+01 volume  0.18860E-03 ppm1      0.620 ppm2      1.898 CV     1
 ASSI { 2370}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 37   and name HN  ))
      3.400     1.400     1.400 peak  2370 spectrum    1 weight  0.10000E+01 volume  0.20553E-03 ppm1      0.615 ppm2      7.285 CV     1
 ASSI { 2372}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 35   and name HA  ))
      3.200     3.200     2.800 peak  2372 spectrum    1 weight  0.10000E+01 volume  0.31471E-03 ppm1      0.777 ppm2      5.022 CV     1
 ASSI { 2373}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 37   and name HN  ))
      3.200     1.300     1.300 peak  2373 spectrum    1 weight  0.10000E+01 volume  0.27093E-03 ppm1      0.777 ppm2      7.284 CV     1
 ASSI { 2374}
   (  segid "    " and resid 36   and name HD2%)
   (  segid "    " and resid 32   and name HD% )
      4.100     2.100     1.900 peak  2374 spectrum    1 weight  0.10000E+01 volume  0.61435E-04 ppm1      0.775 ppm2      7.187 CV     1
 ASSI { 2375}
   (  segid "    " and resid 36   and name HD2%)
   (( segid "    " and resid 35   and name HN  ))
      3.300     1.400     1.400 peak  2375 spectrum    1 weight  0.10000E+01 volume  0.21823E-03 ppm1      0.779 ppm2      7.697 CV     1
 ASSI { 2377}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 40   and name HA  ))
      5.600     3.900     0.400 peak  2377 spectrum    1 weight  0.10000E+01 volume  0.22733E-03 ppm1      2.769 ppm2      4.117 CV     1
 OR { 2377}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 40   and name HB1 ))
 OR { 2377}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 40   and name HB2 ))
 ASSI { 2384}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 36   and name HN  ))
      4.900     3.000     1.100 peak  2384 spectrum    1 weight  0.10000E+01 volume  0.55145E-03 ppm1      4.426 ppm2      7.500 CV     1
 ASSI { 2386}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 36   and name HB2 ))
      4.600     2.700     1.400 peak  2386 spectrum    1 weight  0.10000E+01 volume  0.43395E-03 ppm1      3.094 ppm2      1.551 CV     1
 ASSI { 2387}
   (( segid "    " and resid 37   and name HB1 ))
   (  segid "    " and resid 21   and name HD1%)
      3.700     1.700     1.700 peak  2387 spectrum    1 weight  0.10000E+01 volume  0.52729E-03 ppm1      3.098 ppm2      0.839 CV     1
 ASSI { 2388}
   (( segid "    " and resid 37   and name HB2 ))
   (  segid "    " and resid 21   and name HD1%)
      4.000     2.000     2.000 peak  2388 spectrum    1 weight  0.10000E+01 volume  0.39153E-03 ppm1      2.426 ppm2      0.839 CV     1
 ASSI { 2390}
   (( segid "    " and resid 37   and name HB1 ))
   (  segid "    " and resid 38   and name HG1%)
      4.100     2.100     1.900 peak  2390 spectrum    1 weight  0.10000E+01 volume  0.89794E-03 ppm1      3.098 ppm2      0.926 CV     1
 OR { 2390}
   (( segid "    " and resid 37   and name HB1 ))
   (  segid "    " and resid 38   and name HG2%)
 ASSI { 2393}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 42   and name HB1 ))
      1.800     0.400     0.400 peak  2393 spectrum    1 weight  0.10000E+01 volume  0.90905E-02 ppm1      3.624 ppm2      3.979 CV     1
 ASSI { 2395}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 45   and name HG2 ))
      5.300     3.500     0.700 peak  2395 spectrum    1 weight  0.10000E+01 volume  0.30417E-03 ppm1      3.623 ppm2      2.309 CV     1
 OR { 2395}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 45   and name HB1 ))
 ASSI { 2397}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 41   and name HB1 ))
      3.300     1.300     1.300 peak  2397 spectrum    1 weight  0.10000E+01 volume  0.25757E-03 ppm1      4.273 ppm2      1.887 CV     1
 ASSI { 2398}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 42   and name HB2 ))
      3.900     1.900     1.900 peak  2398 spectrum    1 weight  0.10000E+01 volume  0.51886E-03 ppm1      3.939 ppm2      3.615 CV     1
 ASSI { 2399}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 46   and name HA  ))
      5.400     3.600     0.600 peak  2399 spectrum    1 weight  0.10000E+01 volume  0.19818E-03 ppm1      3.930 ppm2      3.426 CV     1
 ASSI { 2400}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 43   and name HE% )
      3.900     1.900     1.900 peak  2400 spectrum    1 weight  0.10000E+01 volume  0.10319E-02 ppm1      3.936 ppm2      1.426 CV     1
 ASSI { 2406}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      4.300     2.300     1.700 peak  2406 spectrum    1 weight  0.10000E+01 volume  0.69185E-03 ppm1      3.614 ppm2      7.491 CV     1
 ASSI { 2407}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      3.300     1.400     1.400 peak  2407 spectrum    1 weight  0.10000E+01 volume  0.80354E-03 ppm1      3.612 ppm2      7.747 CV     1
 ASSI { 2408}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      4.200     2.200     1.800 peak  2408 spectrum    1 weight  0.10000E+01 volume  0.31593E-03 ppm1      3.632 ppm2      8.108 CV     1
 ASSI { 2410}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 22   and name HA  ))
      4.000     2.000     2.000 peak  2410 spectrum    1 weight  0.10000E+01 volume  0.78438E-03 ppm1      3.613 ppm2      4.299 CV     1
 ASSI { 2411}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 40   and name H43B))
      6.000     6.000     0.000 peak  2411 spectrum    1 weight  0.10000E+01 volume  0.74555E-05 ppm1      3.638 ppm2      2.910 CV     1
 ASSI { 2420}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 52   and name HA  ))
      6.000     6.000     0.000 peak  2420 spectrum    1 weight  0.10000E+01 volume  0.75906E-04 ppm1      1.526 ppm2      4.126 CV     1
 ASSI { 2421}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 14   and name HA  ))
      4.400     2.500     1.600 peak  2421 spectrum    1 weight  0.10000E+01 volume  0.73821E-03 ppm1      1.528 ppm2      3.811 CV     1
 ASSI { 2429}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 43   and name HN  ))
      4.400     2.400     1.600 peak  2429 spectrum    1 weight  0.10000E+01 volume  0.45084E-03 ppm1      1.419 ppm2      8.279 CV     1
 ASSI { 2430}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 40   and name H42B))
      3.700     1.700     1.700 peak  2430 spectrum    1 weight  0.10000E+01 volume  0.65789E-03 ppm1      1.422 ppm2      3.292 CV     1
 ASSI { 2440}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 40   and name H2A ))
      3.500     1.600     1.600 peak  2440 spectrum    1 weight  0.10000E+01 volume  0.85627E-03 ppm1      1.428 ppm2      6.618 CV     1
 ASSI { 2443}
   (  segid "    " and resid 43   and name HE% )
   (  segid "    " and resid 32   and name HD% )
      3.800     1.800     1.800 peak  2443 spectrum    1 weight  0.10000E+01 volume  0.79359E-03 ppm1      1.418 ppm2      7.178 CV     1
 ASSI { 2445}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 46   and name HN  ))
      4.900     2.900     1.100 peak  2445 spectrum    1 weight  0.10000E+01 volume  0.20104E-03 ppm1      1.420 ppm2      8.122 CV     1
 ASSI { 2448}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 47   and name HN  ))
      5.100     3.300     0.900 peak  2448 spectrum    1 weight  0.10000E+01 volume  0.25762E-03 ppm1      1.428 ppm2      7.866 CV     1
 ASSI { 2451}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 60   and name HB2 ))
      4.600     2.600     1.400 peak  2451 spectrum    1 weight  0.10000E+01 volume  0.42393E-03 ppm1      1.415 ppm2      2.595 CV     1
 OR { 2451}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 60   and name HB1 ))
 ASSI { 2452}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 40   and name H42A))
      4.400     2.400     1.600 peak  2452 spectrum    1 weight  0.10000E+01 volume  0.99286E-03 ppm1      1.428 ppm2      3.104 CV     1
 ASSI { 2459}
   (( segid "    " and resid 13   and name HG1 ))
   (( segid "    " and resid 14   and name HN  ))
      5.300     3.500     0.700 peak  2459 spectrum    1 weight  0.10000E+01 volume  0.26753E-03 ppm1      2.616 ppm2      8.181 CV     1
 ASSI { 2460}
   (( segid "    " and resid 13   and name HG2 ))
   (( segid "    " and resid 14   and name HN  ))
      4.400     2.500     1.600 peak  2460 spectrum    1 weight  0.10000E+01 volume  0.69513E-03 ppm1      2.307 ppm2      8.196 CV     1
 ASSI { 2461}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 56   and name HB  ))
      3.600     1.600     1.600 peak  2461 spectrum    1 weight  0.10000E+01 volume  0.13710E-02 ppm1      4.413 ppm2      2.012 CV     1
 ASSI { 2463}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HB1 ))
      2.900     1.100     1.100 peak  2463 spectrum    1 weight  0.10000E+01 volume  0.33875E-02 ppm1      4.385 ppm2      2.531 CV     1
 ASSI { 2464}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 57   and name HN  ))
      4.800     2.900     1.200 peak  2464 spectrum    1 weight  0.10000E+01 volume  0.89288E-03 ppm1      4.409 ppm2      8.184 CV     1
 ASSI { 2467}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 26   and name HN  ))
      4.700     2.800     1.300 peak  2467 spectrum    1 weight  0.10000E+01 volume  0.26250E-03 ppm1      1.535 ppm2      7.499 CV     1
 ASSI { 2468}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 26   and name HN  ))
      5.400     3.600     0.600 peak  2468 spectrum    1 weight  0.10000E+01 volume  0.13949E-03 ppm1      2.054 ppm2      7.497 CV     1
 ASSI { 2469}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 26   and name HA  ))
      5.400     3.700     0.600 peak  2469 spectrum    1 weight  0.10000E+01 volume  0.37084E-03 ppm1      2.051 ppm2      3.533 CV     1
 ASSI { 2470}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 26   and name HA  ))
      5.100     3.200     0.900 peak  2470 spectrum    1 weight  0.10000E+01 volume  0.32589E-03 ppm1      1.532 ppm2      3.531 CV     1
 ASSI { 2471}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 28   and name HB1 ))
      4.400     2.400     1.600 peak  2471 spectrum    1 weight  0.10000E+01 volume  0.14249E-02 ppm1      2.059 ppm2      1.738 CV     1
 ASSI { 2474}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 14   and name HA  ))
      3.300     1.400     1.400 peak  2474 spectrum    1 weight  0.10000E+01 volume  0.28707E-03 ppm1      2.262 ppm2      3.824 CV     1
 ASSI { 2478}
   (( segid "    " and resid 45   and name HG2 ))
   (( segid "    " and resid 46   and name HN  ))
      5.100     3.200     0.900 peak  2478 spectrum    1 weight  0.10000E+01 volume  0.48134E-03 ppm1      2.282 ppm2      8.117 CV     1
 ASSI { 2483}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 25   and name HA  ))
      5.900     4.300     0.100 peak  2483 spectrum    1 weight  0.10000E+01 volume  0.23502E-03 ppm1      1.008 ppm2      4.585 CV     1
 ASSI { 2490}
   (( segid "    " and resid 56   and name HB  ))
   (( segid "    " and resid 81   and name HN  ))
      5.400     3.700     0.600 peak  2490 spectrum    1 weight  0.10000E+01 volume  0.21190E-03 ppm1      2.027 ppm2      8.289 CV     1
 ASSI { 2491}
   (( segid "    " and resid 45   and name HG2 ))
   (( segid "    " and resid 44   and name HA  ))
      5.200     3.300     0.800 peak  2491 spectrum    1 weight  0.10000E+01 volume  0.32714E-03 ppm1      2.303 ppm2      3.631 CV     1
 ASSI { 2492}
   (( segid "    " and resid 45   and name HG1 ))
   (( segid "    " and resid 44   and name HA  ))
      5.700     4.000     0.300 peak  2492 spectrum    1 weight  0.10000E+01 volume  0.14849E-03 ppm1      2.451 ppm2      3.628 CV     1
 ASSI { 2497}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 22   and name HG2 ))
      4.900     3.000     1.100 peak  2497 spectrum    1 weight  0.10000E+01 volume  0.77320E-03 ppm1      4.316 ppm2      1.943 CV     1
 ASSI { 2500}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 59   and name HB1 ))
      4.800     2.900     1.200 peak  2500 spectrum    1 weight  0.10000E+01 volume  0.38791E-03 ppm1      4.200 ppm2      2.366 CV     1
 ASSI { 2501}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 57   and name HA  ))
      4.900     3.000     1.100 peak  2501 spectrum    1 weight  0.10000E+01 volume  0.48212E-03 ppm1      1.714 ppm2      4.724 CV     1
 ASSI { 2503}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 49   and name HN  ))
      4.300     2.300     1.700 peak  2503 spectrum    1 weight  0.10000E+01 volume  0.93730E-03 ppm1      1.502 ppm2      7.919 CV     1
 ASSI { 2505}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 29   and name HB2 ))
      5.000     3.200     1.000 peak  2505 spectrum    1 weight  0.10000E+01 volume  0.18580E-03 ppm1      3.589 ppm2      2.595 CV     1
 ASSI { 2506}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 29   and name HN  ))
      3.200     1.300     1.300 peak  2506 spectrum    1 weight  0.10000E+01 volume  0.81100E-03 ppm1      3.582 ppm2      8.387 CV     1
 ASSI { 2509}
   (  segid "    " and resid 9    and name HB% )
   (( segid "    " and resid 10   and name HA2 ))
      3.800     1.800     1.800 peak  2509 spectrum    1 weight  0.10000E+01 volume  0.84927E-03 ppm1      1.522 ppm2      3.866 CV     1
 ASSI { 2511}
   (  segid "    " and resid 72   and name HB% )
   (( segid "    " and resid 75   and name HN  ))
      5.200     3.400     0.800 peak  2511 spectrum    1 weight  0.10000E+01 volume  0.25743E-03 ppm1      1.610 ppm2      7.925 CV     1
 ASSI { 2514}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 73   and name HN  ))
      4.700     2.800     1.300 peak  2514 spectrum    1 weight  0.10000E+01 volume  0.27810E-03 ppm1      0.561 ppm2      8.643 CV     1
 ASSI { 2515}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 41   and name HG  ))
      5.200     3.400     0.800 peak  2515 spectrum    1 weight  0.10000E+01 volume  0.24111E-03 ppm1      4.105 ppm2      1.723 CV     1
 ASSI { 2516}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 41   and name HG  ))
      5.900     4.300     0.100 peak  2516 spectrum    1 weight  0.10000E+01 volume  0.14659E-03 ppm1      4.144 ppm2      1.723 CV     1
 ASSI { 2520}
   (( segid "    " and resid 68   and name HA  ))
   (  segid "    " and resid 32   and name HD% )
      3.300     1.300     1.300 peak  2520 spectrum    1 weight  0.10000E+01 volume  0.58241E-03 ppm1      5.231 ppm2      7.161 CV     1
 ASSI { 2521}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      5.200     3.300     0.800 peak  2521 spectrum    1 weight  0.10000E+01 volume  0.17888E-03 ppm1      5.229 ppm2      7.488 CV     1
 ASSI { 2522}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 32   and name HB2 ))
      4.400     2.400     1.600 peak  2522 spectrum    1 weight  0.10000E+01 volume  0.31487E-03 ppm1      5.221 ppm2      3.086 CV     1
 ASSI { 2523}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 67   and name HG1 ))
      4.800     2.900     1.200 peak  2523 spectrum    1 weight  0.10000E+01 volume  0.36703E-03 ppm1      5.227 ppm2      1.577 CV     1
 ASSI { 2526}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 68   and name HN  ))
      3.900     1.900     1.900 peak  2526 spectrum    1 weight  0.10000E+01 volume  0.55613E-03 ppm1      4.331 ppm2      8.565 CV     1
 ASSI { 2527}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 70   and name HA1 ))
      4.900     3.000     1.100 peak  2527 spectrum    1 weight  0.10000E+01 volume  0.41469E-03 ppm1      4.338 ppm2      3.989 CV     1
 ASSI { 2528}
   (( segid "    " and resid 68   and name HB  ))
   (  segid "    " and resid 69   and name HG2%)
      4.200     2.200     1.800 peak  2528 spectrum    1 weight  0.10000E+01 volume  0.57339E-03 ppm1      4.323 ppm2      0.639 CV     1
 ASSI { 2533}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 68   and name HA  ))
      4.800     2.800     1.200 peak  2533 spectrum    1 weight  0.10000E+01 volume  0.14335E-03 ppm1      3.394 ppm2      5.247 CV     1
 ASSI { 2534}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 68   and name HB  ))
      5.300     3.500     0.700 peak  2534 spectrum    1 weight  0.10000E+01 volume  0.22674E-03 ppm1      3.382 ppm2      4.330 CV     1
 ASSI { 2535}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 72   and name HA  ))
      6.000     6.000     0.000 peak  2535 spectrum    1 weight  0.10000E+01 volume  0.29677E-04 ppm1      3.386 ppm2      4.114 CV     1
 ASSI { 2536}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 73   and name HA  ))
      4.600     2.600     1.400 peak  2536 spectrum    1 weight  0.10000E+01 volume  0.28152E-03 ppm1      3.382 ppm2      3.671 CV     1
 ASSI { 2539}
   (( segid "    " and resid 69   and name HB  ))
   (( segid "    " and resid 68   and name HA  ))
      5.300     3.500     0.700 peak  2539 spectrum    1 weight  0.10000E+01 volume  0.34346E-03 ppm1      2.276 ppm2      5.225 CV     1
 ASSI { 2542}
   (( segid "    " and resid 69   and name HB  ))
   (  segid "    " and resid 72   and name HB% )
      4.300     2.300     1.700 peak  2542 spectrum    1 weight  0.10000E+01 volume  0.61222E-03 ppm1      2.276 ppm2      1.600 CV     1
 ASSI { 2543}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 73   and name HA  ))
      5.100     3.200     0.900 peak  2543 spectrum    1 weight  0.10000E+01 volume  0.22267E-03 ppm1      0.463 ppm2      3.685 CV     1
 ASSI { 2545}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 28   and name HG  ))
      5.200     3.300     0.800 peak  2545 spectrum    1 weight  0.10000E+01 volume  0.53047E-03 ppm1      0.462 ppm2      1.749 CV     1
 OR { 2545}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 28   and name HB1 ))
 ASSI { 2546}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 11   and name HB2 ))
      4.400     2.500     1.600 peak  2546 spectrum    1 weight  0.10000E+01 volume  0.52261E-03 ppm1      0.457 ppm2      1.272 CV     1
 ASSI { 2547}
   (  segid "    " and resid 69   and name HG1%)
   (( segid "    " and resid 31   and name HA  ))
      3.500     1.500     1.500 peak  2547 spectrum    1 weight  0.10000E+01 volume  0.17444E-03 ppm1      0.461 ppm2      4.931 CV     1
 ASSI { 2554}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 27   and name HN  ))
      3.700     1.800     1.800 peak  2554 spectrum    1 weight  0.10000E+01 volume  0.24327E-03 ppm1      0.657 ppm2      6.374 CV     1
 ASSI { 2555}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 75   and name HN  ))
      5.200     3.400     0.800 peak  2555 spectrum    1 weight  0.10000E+01 volume  0.21358E-03 ppm1      1.109 ppm2      7.911 CV     1
 ASSI { 2556}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 4    and name HN  ))
      4.500     2.600     1.500 peak  2556 spectrum    1 weight  0.10000E+01 volume  0.49654E-03 ppm1      1.113 ppm2      9.237 CV     1
 ASSI { 2562}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 7    and name HG12))
      4.900     3.000     1.100 peak  2562 spectrum    1 weight  0.10000E+01 volume  0.49211E-03 ppm1      1.110 ppm2      0.264 CV     1
 ASSI { 2564}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 37   and name HN  ))
      3.300     1.400     1.400 peak  2564 spectrum    1 weight  0.10000E+01 volume  0.36325E-03 ppm1      1.597 ppm2      7.284 CV     1
 ASSI { 2566}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 75   and name HN  ))
      3.400     3.400     2.600 peak  2566 spectrum    1 weight  0.10000E+01 volume  0.21427E-03 ppm1      0.629 ppm2      7.925 CV     1
 ASSI { 2571}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 77   and name HA  ))
      3.200     3.200     2.800 peak  2571 spectrum    1 weight  0.10000E+01 volume  0.28725E-03 ppm1      0.625 ppm2      3.902 CV     1
 ASSI { 2575}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 76   and name HN  ))
      3.200     1.300     1.300 peak  2575 spectrum    1 weight  0.10000E+01 volume  0.99561E-03 ppm1      3.675 ppm2      8.527 CV     1
 ASSI { 2578}
   (( segid "    " and resid 73   and name HB  ))
   (( segid "    " and resid 72   and name HN  ))
      5.400     3.600     0.600 peak  2578 spectrum    1 weight  0.10000E+01 volume  0.22625E-03 ppm1      4.190 ppm2      8.183 CV     1
 ASSI { 2581}
   (( segid "    " and resid 73   and name HB  ))
   (( segid "    " and resid 74   and name HB2 ))
      5.100     3.200     0.900 peak  2581 spectrum    1 weight  0.10000E+01 volume  0.31827E-03 ppm1      4.181 ppm2      1.911 CV     1
 ASSI { 2588}
   (  segid "    " and resid 76   and name HG2%)
   (  segid "    " and resid 75   and name HD% )
      6.000     6.000     0.000 peak  2588 spectrum    1 weight  0.10000E+01 volume  0.20198E-04 ppm1      0.524 ppm2      6.817 CV     1
 ASSI { 2591}
   (  segid "    " and resid 58   and name HG2%)
   (  segid "    " and resid 75   and name HD% )
      6.000     6.000     0.000 peak  2591 spectrum    1 weight  0.10000E+01 volume  0.15210E-04 ppm1      0.329 ppm2      6.832 CV     1
 ASSI { 2595}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 23   and name HN  ))
      5.600     3.900     0.400 peak  2595 spectrum    1 weight  0.10000E+01 volume  0.11863E-03 ppm1      1.003 ppm2      8.525 CV     1
 ASSI { 2597}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 79   and name HD2 ))
      6.000     4.600     0.000 peak  2597 spectrum    1 weight  0.10000E+01 volume  0.43102E-04 ppm1      3.503 ppm2      6.971 CV     1
 ASSI { 2598}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 75   and name HB1 ))
      4.400     2.400     1.600 peak  2598 spectrum    1 weight  0.10000E+01 volume  0.50294E-03 ppm1      3.507 ppm2      3.126 CV     1
 OR { 2598}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 75   and name HB2 ))
 ASSI { 2602}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 50   and name HB% )
      5.900     4.300     0.100 peak  2602 spectrum    1 weight  0.10000E+01 volume  0.90452E-04 ppm1      3.913 ppm2      1.496 CV     1
 ASSI { 2603}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      4.000     2.000     2.000 peak  2603 spectrum    1 weight  0.10000E+01 volume  0.49045E-03 ppm1      3.918 ppm2      7.689 CV     1
 ASSI { 2604}
   (( segid "    " and resid 23   and name HB  ))
   (( segid "    " and resid 16   and name HD22))
      5.300     3.500     0.700 peak  2604 spectrum    1 weight  0.10000E+01 volume  0.28724E-03 ppm1      2.069 ppm2      8.068 CV     1
 ASSI { 2605}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 52   and name HN  ))
      5.100     3.300     0.900 peak  2605 spectrum    1 weight  0.10000E+01 volume  0.28138E-03 ppm1      1.119 ppm2      7.673 CV     1
 ASSI { 2606}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 63   and name HN  ))
      5.400     3.600     0.600 peak  2606 spectrum    1 weight  0.10000E+01 volume  0.22856E-03 ppm1      1.120 ppm2      7.596 CV     1
 ASSI { 2615}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 48   and name HN  ))
      3.900     1.900     1.900 peak  2615 spectrum    1 weight  0.10000E+01 volume  0.42990E-03 ppm1      3.428 ppm2      7.805 CV     1
 ASSI { 2620}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 45   and name HA  ))
      4.200     2.300     1.800 peak  2620 spectrum    1 weight  0.10000E+01 volume  0.36238E-03 ppm1      3.424 ppm2      4.076 CV     1
 ASSI { 2623}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 14   and name HB  ))
      3.100     1.200     1.200 peak  2623 spectrum    1 weight  0.10000E+01 volume  0.11340E-02 ppm1      0.666 ppm2      2.115 CV     1
 ASSI { 2627}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      3.600     1.700     1.700 peak  2627 spectrum    1 weight  0.10000E+01 volume  0.71545E-03 ppm1      4.064 ppm2      7.927 CV     1
 ASSI { 2628}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      6.000     6.000     0.000 peak  2628 spectrum    1 weight  0.10000E+01 volume  0.36038E-04 ppm1      3.963 ppm2      7.914 CV     1
 ASSI { 2631}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 49   and name HA  ))
      6.000     6.000     0.000 peak  2631 spectrum    1 weight  0.10000E+01 volume  0.11144E-04 ppm1      3.966 ppm2      4.241 CV     1
 ASSI { 2634}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 47   and name HA  ))
      4.400     2.400     1.600 peak  2634 spectrum    1 weight  0.10000E+01 volume  0.35514E-03 ppm1      4.177 ppm2      3.317 CV     1
 ASSI { 2638}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 63   and name HN  ))
      4.500     2.500     1.500 peak  2638 spectrum    1 weight  0.10000E+01 volume  0.26733E-03 ppm1      4.318 ppm2      7.605 CV     1
 ASSI { 2640}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 64   and name HN  ))
      4.300     2.300     1.700 peak  2640 spectrum    1 weight  0.10000E+01 volume  0.27741E-03 ppm1      4.324 ppm2      7.054 CV     1
 ASSI { 2641}
   (  segid "    " and resid 32   and name HE% )
   (( segid "    " and resid 69   and name HA  ))
      3.000     1.100     1.100 peak  2641 spectrum    1 weight  0.10000E+01 volume  0.12028E-02 ppm1      6.986 ppm2      3.390 CV     1
 ASSI { 2655}
   (( segid "    " and resid 32   and name HZ  ))
   (  segid "    " and resid 11   and name HD1%)
      3.400     1.400     1.400 peak  2655 spectrum    1 weight  0.10000E+01 volume  0.52101E-03 ppm1      6.874 ppm2      0.871 CV     1
 OR { 2655}
   (( segid "    " and resid 32   and name HZ  ))
   (  segid "    " and resid 11   and name HD2%)
 ASSI { 2661}
   (( segid "    " and resid 32   and name HZ  ))
   (  segid "    " and resid 32   and name HD% )
      4.400     2.400     1.600 peak  2661 spectrum    1 weight  0.10000E+01 volume  0.42362E-03 ppm1      6.852 ppm2      7.165 CV     1
 ASSI { 2662}
   (  segid "    " and resid 32   and name HE% )
   (( segid "    " and resid 32   and name HZ  ))
      2.000     0.500     0.500 peak  2662 spectrum    1 weight  0.10000E+01 volume  0.83504E-02 ppm1      6.985 ppm2      6.871 CV     1
 ASSI { 2663}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 51   and name HB1 ))
      5.200     3.400     0.800 peak  2663 spectrum    1 weight  0.10000E+01 volume  0.48955E-03 ppm1      1.496 ppm2      2.472 CV     1
 ASSI { 2670}
   (( segid "    " and resid 38   and name HA  ))
   (  segid "    " and resid 21   and name HD1%)
      4.100     2.100     1.900 peak  2670 spectrum    1 weight  0.10000E+01 volume  0.28076E-03 ppm1      3.968 ppm2      0.824 CV     1
 ASSI { 2672}
   (( segid "    " and resid 23   and name HB  ))
   (( segid "    " and resid 22   and name HA  ))
      5.700     4.100     0.300 peak  2672 spectrum    1 weight  0.10000E+01 volume  0.44341E-03 ppm1      2.040 ppm2      4.306 CV     1
 ASSI { 2673}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 25   and name HB1 ))
      3.700     1.800     1.800 peak  2673 spectrum    1 weight  0.10000E+01 volume  0.65202E-03 ppm1      1.763 ppm2      2.686 CV     1
 ASSI { 2675}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 80   and name HB2 ))
      5.100     3.300     0.900 peak  2675 spectrum    1 weight  0.10000E+01 volume  0.28163E-03 ppm1      3.498 ppm2      2.129 CV     1
 ASSI { 2676}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      4.700     2.700     1.300 peak  2676 spectrum    1 weight  0.10000E+01 volume  0.22107E-03 ppm1      3.614 ppm2      8.697 CV     1
 ASSI { 2681}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 73   and name HN  ))
      4.500     2.600     1.500 peak  2681 spectrum    1 weight  0.10000E+01 volume  0.25112E-03 ppm1      1.776 ppm2      8.655 CV     1
 ASSI { 2682}
   (( segid "    " and resid 76   and name HG12))
   (( segid "    " and resid 75   and name HB1 ))
      4.900     2.900     1.100 peak  2682 spectrum    1 weight  0.10000E+01 volume  0.28851E-03 ppm1      0.921 ppm2      3.120 CV     1
 ASSI { 2683}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 7    and name HG12))
      3.500     1.500     1.500 peak  2683 spectrum    1 weight  0.10000E+01 volume  0.61962E-03 ppm1      0.620 ppm2      0.272 CV     1
 ASSI { 2687}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 80   and name HB1 ))
      4.600     2.600     1.400 peak  2687 spectrum    1 weight  0.10000E+01 volume  0.26488E-03 ppm1      3.890 ppm2      2.348 CV     1
 ASSI { 2688}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 80   and name HB2 ))
      5.000     3.100     1.000 peak  2688 spectrum    1 weight  0.10000E+01 volume  0.31151E-03 ppm1      3.897 ppm2      2.148 CV     1
 ASSI { 2692}
   (( segid "    " and resid 77   and name HG  ))
   (  segid "    " and resid 73   and name HG2%)
      3.600     1.600     1.600 peak  2692 spectrum    1 weight  0.10000E+01 volume  0.59680E-03 ppm1      1.627 ppm2      1.100 CV     1
 ASSI { 2693}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 74   and name HB1 ))
      4.800     2.800     1.200 peak  2693 spectrum    1 weight  0.10000E+01 volume  0.33082E-03 ppm1      0.825 ppm2      1.966 CV     1
 ASSI { 2695}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 80   and name HE21))
      3.400     1.400     1.400 peak  2695 spectrum    1 weight  0.10000E+01 volume  0.14598E-02 ppm1      0.824 ppm2      7.648 CV     1
 OR { 2695}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 80   and name HE21))
 ASSI { 2698}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 46   and name HG1%)
      5.200     3.400     0.800 peak  2698 spectrum    1 weight  0.10000E+01 volume  0.59718E-03 ppm1      1.525 ppm2      0.637 CV     1
 ASSI { 2700}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 57   and name HN  ))
      2.300     0.700     0.700 peak  2700 spectrum    1 weight  0.10000E+01 volume  0.56852E-02 ppm1      4.680 ppm2      8.185 CV     1
 ASSI { 2706}
   (( segid "    " and resid 56   and name HB  ))
   (( segid "    " and resid 54   and name HB1 ))
      4.900     3.000     1.100 peak  2706 spectrum    1 weight  0.10000E+01 volume  0.23673E-03 ppm1      2.015 ppm2      3.457 CV     1
 ASSI { 2707}
   (  segid "    " and resid 56   and name HG2%)
   (( segid "    " and resid 58   and name HA  ))
      5.800     4.300     0.200 peak  2707 spectrum    1 weight  0.10000E+01 volume  0.58966E-04 ppm1      0.974 ppm2      4.499 CV     1
 ASSI { 2708}
   (  segid "    " and resid 56   and name HG2%)
   (  segid "    " and resid 54   and name HD% )
      4.600     2.600     1.400 peak  2708 spectrum    1 weight  0.10000E+01 volume  0.69504E-03 ppm1      0.976 ppm2      7.471 CV     1
 ASSI { 2712}
   (  segid "    " and resid 56   and name HG1%)
   (  segid "    " and resid 54   and name HD% )
      3.200     1.200     1.200 peak  2712 spectrum    1 weight  0.10000E+01 volume  0.69242E-03 ppm1      0.926 ppm2      7.476 CV     1
 ASSI { 2713}
   (  segid "    " and resid 56   and name HG1%)
   (  segid "    " and resid 75   and name HE% )
      4.900     3.000     1.100 peak  2713 spectrum    1 weight  0.10000E+01 volume  0.67965E-03 ppm1      0.926 ppm2      6.556 CV     1
 ASSI { 2714}
   (  segid "    " and resid 56   and name HG1%)
   (  segid "    " and resid 75   and name HD% )
      5.100     3.200     0.900 peak  2714 spectrum    1 weight  0.10000E+01 volume  0.33572E-03 ppm1      0.929 ppm2      6.815 CV     1
 ASSI { 2715}
   (  segid "    " and resid 56   and name HG1%)
   (( segid "    " and resid 76   and name HA  ))
      3.400     1.500     1.500 peak  2715 spectrum    1 weight  0.10000E+01 volume  0.16410E-02 ppm1      0.925 ppm2      3.511 CV     1
 ASSI { 2719}
   (( segid "    " and resid 57   and name HB1 ))
   (( segid "    " and resid 58   and name HN  ))
      3.700     1.700     1.700 peak  2719 spectrum    1 weight  0.10000E+01 volume  0.12214E-02 ppm1      1.694 ppm2      9.932 CV     1
 OR { 2719}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 58   and name HN  ))
 ASSI { 2720}
   (( segid "    " and resid 57   and name HB1 ))
   (( segid "    " and resid 59   and name HD1 ))
      3.600     1.600     1.600 peak  2720 spectrum    1 weight  0.10000E+01 volume  0.66588E-03 ppm1      1.691 ppm2      3.803 CV     1
 OR { 2720}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 59   and name HD1 ))
 OR { 2720}
   (( segid "    " and resid 57   and name HB1 ))
   (( segid "    " and resid 59   and name HD2 ))
 OR { 2720}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 59   and name HD2 ))
 ASSI { 2722}
   (( segid "    " and resid 57   and name HB1 ))
   (( segid "    " and resid 58   and name HA  ))
      4.800     2.900     1.200 peak  2722 spectrum    1 weight  0.10000E+01 volume  0.14636E-03 ppm1      1.690 ppm2      4.481 CV     1
 OR { 2722}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 58   and name HA  ))
 ASSI { 2724}
   (( segid "    " and resid 57   and name HB2 ))
   (  segid "    " and resid 56   and name HG2%)
      5.500     3.800     0.500 peak  2724 spectrum    1 weight  0.10000E+01 volume  0.26144E-03 ppm1      1.699 ppm2      0.959 CV     1
 OR { 2724}
   (( segid "    " and resid 57   and name HB1 ))
   (  segid "    " and resid 56   and name HG2%)
 ASSI { 2725}
   (( segid "    " and resid 80   and name HG1 ))
   (  segid "    " and resid 56   and name HG2%)
      5.100     3.200     0.900 peak  2725 spectrum    1 weight  0.10000E+01 volume  0.32401E-03 ppm1      2.707 ppm2      0.969 CV     1
 OR { 2725}
   (( segid "    " and resid 80   and name HG1 ))
   (  segid "    " and resid 56   and name HG1%)
 ASSI { 2726}
   (( segid "    " and resid 80   and name HG2 ))
   (  segid "    " and resid 56   and name HG2%)
      4.700     2.800     1.300 peak  2726 spectrum    1 weight  0.10000E+01 volume  0.23742E-03 ppm1      2.586 ppm2      0.969 CV     1
 OR { 2726}
   (( segid "    " and resid 80   and name HG2 ))
   (  segid "    " and resid 56   and name HG1%)
 ASSI { 2727}
   (( segid "    " and resid 80   and name HG2 ))
   (  segid "    " and resid 77   and name HD2%)
      5.000     3.100     1.000 peak  2727 spectrum    1 weight  0.10000E+01 volume  0.22361E-03 ppm1      2.598 ppm2      0.813 CV     1
 ASSI { 2729}
   (( segid "    " and resid 80   and name HG1 ))
   (  segid "    " and resid 1    and name HB% )
      4.000     2.000     2.000 peak  2729 spectrum    1 weight  0.10000E+01 volume  0.25841E-03 ppm1      2.721 ppm2      1.526 CV     1
 ASSI { 2736}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 58   and name HN  ))
      4.000     2.000     2.000 peak  2736 spectrum    1 weight  0.10000E+01 volume  0.83863E-03 ppm1      2.828 ppm2      9.929 CV     1
 ASSI { 2737}
   (( segid "    " and resid 51   and name HG2 ))
   (( segid "    " and resid 58   and name HN  ))
      2.900     1.000     1.000 peak  2737 spectrum    1 weight  0.10000E+01 volume  0.10121E-02 ppm1      2.298 ppm2      9.930 CV     1
 ASSI { 2738}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 51   and name HG1 ))
      3.900     1.900     1.900 peak  2738 spectrum    1 weight  0.10000E+01 volume  0.48134E-03 ppm1      1.727 ppm2      2.829 CV     1
 ASSI { 2743}
   (( segid "    " and resid 58   and name HG11))
   (( segid "    " and resid 57   and name HA  ))
      3.700     1.700     1.700 peak  2743 spectrum    1 weight  0.10000E+01 volume  0.64363E-03 ppm1      1.559 ppm2      4.711 CV     1
 ASSI { 2746}
   (( segid "    " and resid 58   and name HG11))
   (  segid "    " and resid 75   and name HD% )
      5.800     4.200     0.200 peak  2746 spectrum    1 weight  0.10000E+01 volume  0.18159E-03 ppm1      1.559 ppm2      6.823 CV     1
 ASSI { 2747}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 79   and name HA  ))
      5.900     4.300     0.100 peak  2747 spectrum    1 weight  0.10000E+01 volume  0.13212E-03 ppm1      0.332 ppm2      4.589 CV     1
 ASSI { 2749}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 57   and name HA  ))
      3.100     3.100     2.900 peak  2749 spectrum    1 weight  0.10000E+01 volume  0.33865E-03 ppm1      0.638 ppm2      4.719 CV     1
 ASSI { 2752}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 72   and name HA  ))
      5.100     3.300     0.900 peak  2752 spectrum    1 weight  0.10000E+01 volume  0.22333E-03 ppm1      0.638 ppm2      4.121 CV     1
 ASSI { 2754}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 51   and name HB1 ))
      3.000     3.000     3.000 peak  2754 spectrum    1 weight  0.10000E+01 volume  0.42787E-03 ppm1      0.646 ppm2      2.453 CV     1
 ASSI { 2762}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 63   and name HN  ))
      4.900     3.000     1.100 peak  2762 spectrum    1 weight  0.10000E+01 volume  0.28366E-03 ppm1      4.407 ppm2      7.596 CV     1
 ASSI { 2764}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 58   and name HA  ))
      6.000     5.800     0.000 peak  2764 spectrum    1 weight  0.10000E+01 volume  0.11330E-03 ppm1      2.395 ppm2      4.523 CV     1
 ASSI { 2765}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 60   and name HB1 ))
      5.900     4.300     0.100 peak  2765 spectrum    1 weight  0.10000E+01 volume  0.15943E-03 ppm1      1.942 ppm2      2.590 CV     1
 OR { 2765}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 60   and name HB2 ))
 ASSI { 2766}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 61   and name HB1 ))
      5.300     3.500     0.700 peak  2766 spectrum    1 weight  0.10000E+01 volume  0.90518E-04 ppm1      1.943 ppm2      2.681 CV     1
 ASSI { 2769}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 62   and name HN  ))
      5.200     3.400     0.800 peak  2769 spectrum    1 weight  0.10000E+01 volume  0.31590E-03 ppm1      2.394 ppm2      7.478 CV     1
 ASSI { 2770}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 62   and name HN  ))
      3.000     1.100     1.100 peak  2770 spectrum    1 weight  0.10000E+01 volume  0.95459E-03 ppm1      1.938 ppm2      7.476 CV     1
 ASSI { 2771}
   (( segid "    " and resid 59   and name HG2 ))
   (  segid "    " and resid 58   and name HG2%)
      5.500     3.800     0.500 peak  2771 spectrum    1 weight  0.10000E+01 volume  0.22707E-03 ppm1      1.981 ppm2      0.315 CV     1
 OR { 2771}
   (( segid "    " and resid 59   and name HG1 ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI { 2773}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 59   and name HB2 ))
      4.400     2.400     1.600 peak  2773 spectrum    1 weight  0.10000E+01 volume  0.31721E-03 ppm1      2.480 ppm2      1.940 CV     1
 OR { 2773}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 59   and name HG2 ))
 OR { 2773}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 59   and name HG1 ))
 ASSI { 2775}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 58   and name HG2%)
      4.400     2.400     1.600 peak  2775 spectrum    1 weight  0.10000E+01 volume  0.34012E-03 ppm1      4.177 ppm2      0.320 CV     1
 ASSI { 2781}
   (( segid "    " and resid 63   and name HB  ))
   (( segid "    " and resid 62   and name HN  ))
      4.700     2.800     1.300 peak  2781 spectrum    1 weight  0.10000E+01 volume  0.41894E-03 ppm1      1.904 ppm2      7.482 CV     1
 ASSI { 2783}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 66   and name HN  ))
      4.800     2.900     1.200 peak  2783 spectrum    1 weight  0.10000E+01 volume  0.21633E-03 ppm1      0.828 ppm2      7.781 CV     1
 ASSI { 2786}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 62   and name HB1 ))
      5.600     4.000     0.400 peak  2786 spectrum    1 weight  0.10000E+01 volume  0.14576E-03 ppm1      0.832 ppm2      2.406 CV     1
 OR { 2786}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 62   and name HB2 ))
 ASSI { 2788}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 66   and name HB1 ))
      3.800     1.900     1.900 peak  2788 spectrum    1 weight  0.10000E+01 volume  0.83451E-03 ppm1      0.826 ppm2      2.277 CV     1
 ASSI { 2795}
   (  segid "    " and resid 63   and name HG2%)
   (( segid "    " and resid 40   and name H43A))
      5.700     4.000     0.300 peak  2795 spectrum    1 weight  0.10000E+01 volume  0.12999E-03 ppm1      0.834 ppm2      2.844 CV     1
 ASSI { 2803}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 60   and name HB2 ))
      3.400     3.400     2.600 peak  2803 spectrum    1 weight  0.10000E+01 volume  0.22701E-03 ppm1      4.057 ppm2      2.542 CV     1
 OR { 2803}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 60   and name HB1 ))
 ASSI { 2805}
   (( segid "    " and resid 65   and name HB1 ))
   (( segid "    " and resid 62   and name HA  ))
      5.700     4.100     0.300 peak  2805 spectrum    1 weight  0.10000E+01 volume  0.25026E-03 ppm1      3.041 ppm2      4.684 CV     1
 ASSI { 2808}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 68   and name HN  ))
      4.000     2.000     2.000 peak  2808 spectrum    1 weight  0.10000E+01 volume  0.57870E-03 ppm1      4.470 ppm2      8.545 CV     1
 ASSI { 2809}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 31   and name HA  ))
      5.300     3.500     0.700 peak  2809 spectrum    1 weight  0.10000E+01 volume  0.15947E-03 ppm1      4.480 ppm2      4.901 CV     1
 ASSI { 2810}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 31   and name HA  ))
      6.000     4.500     0.000 peak  2810 spectrum    1 weight  0.10000E+01 volume  0.19237E-03 ppm1      2.063 ppm2      4.920 CV     1
 OR { 2810}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 31   and name HA  ))
 ASSI { 2811}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 67   and name HE1 ))
      3.900     1.900     1.900 peak  2811 spectrum    1 weight  0.10000E+01 volume  0.40452E-03 ppm1      2.079 ppm2      3.090 CV     1
 OR { 2811}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HE1 ))
 OR { 2811}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 67   and name HE2 ))
 OR { 2811}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HE2 ))
 ASSI { 2812}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 71   and name HB2 ))
      4.500     2.600     1.500 peak  2812 spectrum    1 weight  0.10000E+01 volume  0.20138E-03 ppm1      2.066 ppm2      2.898 CV     1
 OR { 2812}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 71   and name HB2 ))
 ASSI { 2813}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 31   and name HA  ))
      6.000     5.900     0.000 peak  2813 spectrum    1 weight  0.10000E+01 volume  0.13322E-03 ppm1      1.580 ppm2      4.897 CV     1
 ASSI { 2814}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 31   and name HA  ))
      6.000     4.700     0.000 peak  2814 spectrum    1 weight  0.10000E+01 volume  0.20762E-03 ppm1      1.471 ppm2      4.899 CV     1
 ASSI { 2815}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 71   and name HN  ))
      4.600     2.600     1.400 peak  2815 spectrum    1 weight  0.10000E+01 volume  0.26471E-03 ppm1      1.472 ppm2      8.357 CV     1
 ASSI { 2817}
   (( segid "    " and resid 70   and name HA2 ))
   (( segid "    " and resid 72   and name HN  ))
      5.700     4.100     0.300 peak  2817 spectrum    1 weight  0.10000E+01 volume  0.82308E-04 ppm1      3.795 ppm2      8.238 CV     1
 ASSI { 2819}
   (( segid "    " and resid 70   and name HA1 ))
   (( segid "    " and resid 72   and name HN  ))
      5.000     3.200     1.000 peak  2819 spectrum    1 weight  0.10000E+01 volume  0.26844E-03 ppm1      4.013 ppm2      8.230 CV     1
 ASSI { 2822}
   (( segid "    " and resid 70   and name HA2 ))
   (( segid "    " and resid 68   and name HB  ))
      6.000     4.900     0.000 peak  2822 spectrum    1 weight  0.10000E+01 volume  0.19073E-03 ppm1      3.796 ppm2      4.305 CV     1
 ASSI { 2825}
   (( segid "    " and resid 45   and name HG2 ))
   (( segid "    " and resid 44   and name HN  ))
      5.700     4.100     0.300 peak  2825 spectrum    1 weight  0.10000E+01 volume  0.25466E-03 ppm1      2.297 ppm2      7.262 CV     1
 ASSI { 2826}
   (( segid "    " and resid 26   and name HB  ))
   (( segid "    " and resid 27   and name HN  ))
      4.400     2.500     1.600 peak  2826 spectrum    1 weight  0.10000E+01 volume  0.25934E-03 ppm1      2.338 ppm2      6.368 CV     1
 ASSI { 2828}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 38   and name HN  ))
      4.500     2.600     1.500 peak  2828 spectrum    1 weight  0.10000E+01 volume  0.54595E-03 ppm1      2.773 ppm2      8.059 CV     1
 ASSI { 2829}
   (( segid "    " and resid 79   and name HB1 ))
   (  segid "    " and resid 75   and name HE% )
      4.300     2.300     1.700 peak  2829 spectrum    1 weight  0.10000E+01 volume  0.40914E-03 ppm1      3.575 ppm2      6.542 CV     1
 ASSI { 2830}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 75   and name HE% )
      3.900     1.900     1.900 peak  2830 spectrum    1 weight  0.10000E+01 volume  0.41444E-03 ppm1      2.502 ppm2      6.552 CV     1
 ASSI { 2831}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 75   and name HD% )
      4.000     2.000     2.000 peak  2831 spectrum    1 weight  0.10000E+01 volume  0.28686E-03 ppm1      2.519 ppm2      6.826 CV     1
 ASSI { 2833}
   (( segid "    " and resid 79   and name HD2 ))
   (( segid "    " and resid 79   and name HA  ))
      3.900     1.900     1.900 peak  2833 spectrum    1 weight  0.10000E+01 volume  0.54954E-03 ppm1      7.001 ppm2      4.617 CV     1
 ASSI { 2834}
   (  segid "    " and resid 47   and name HG2%)
   (( segid "    " and resid 46   and name HN  ))
      4.500     2.600     1.500 peak  2834 spectrum    1 weight  0.10000E+01 volume  0.32199E-03 ppm1      1.003 ppm2      8.118 CV     1
 ASSI {    1}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      3.200     1.300     1.300 peak     1 spectrum    1 weight  0.10000E+01 volume  0.11106E-02 ppm1      8.839 ppm2      4.815 CV     1
 ASSI {    3}
   (( segid "    " and resid 2    and name HN  ))
   (  segid "    " and resid 2    and name HB% )
      2.600     0.800     0.800 peak     3 spectrum    1 weight  0.10000E+01 volume  0.35354E-02 ppm1      8.843 ppm2      1.559 CV     1
 ASSI {    5}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 1    and name HA  ))
      2.600     0.900     0.900 peak     5 spectrum    1 weight  0.10000E+01 volume  0.29851E-02 ppm1      8.843 ppm2      4.037 CV     1
 ASSI {    6}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 80   and name HE22))
      3.500     1.500     1.500 peak     6 spectrum    1 weight  0.10000E+01 volume  0.48986E-03 ppm1      8.838 ppm2      7.726 CV     1
 ASSI {    7}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 80   and name HE21))
      4.000     2.000     2.000 peak     7 spectrum    1 weight  0.10000E+01 volume  0.95943E-03 ppm1      8.842 ppm2      7.640 CV     1
 ASSI {   11}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 6    and name HB1 ))
      3.500     1.500     1.500 peak    11 spectrum    1 weight  0.10000E+01 volume  0.28182E-02 ppm1      8.538 ppm2      2.492 CV     1
 ASSI {   12}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 6    and name HG2 ))
      3.600     1.600     1.600 peak    12 spectrum    1 weight  0.10000E+01 volume  0.78925E-03 ppm1      8.537 ppm2      2.390 CV     1
 OR {   12}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 6    and name HG1 ))
 ASSI {   15}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      2.300     0.600     0.600 peak    15 spectrum    1 weight  0.10000E+01 volume  0.62081E-02 ppm1      8.539 ppm2      4.826 CV     1
 ASSI {   16}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HB  ))
      3.800     1.800     1.800 peak    16 spectrum    1 weight  0.10000E+01 volume  0.44413E-03 ppm1      8.536 ppm2      4.732 CV     1
 ASSI {   17}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 4    and name HN  ))
      4.500     2.500     1.500 peak    17 spectrum    1 weight  0.10000E+01 volume  0.24017E-03 ppm1      8.543 ppm2      9.246 CV     1
 ASSI {   21}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HB1 ))
      2.400     0.700     0.700 peak    21 spectrum    1 weight  0.10000E+01 volume  0.33603E-02 ppm1      9.236 ppm2      2.178 CV     1
 OR {   21}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HG2 ))
 ASSI {   22}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HB2 ))
      2.700     0.900     0.900 peak    22 spectrum    1 weight  0.10000E+01 volume  0.25684E-02 ppm1      9.235 ppm2      2.034 CV     1
 ASSI {   24}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 7    and name HD1%)
      4.600     2.700     1.400 peak    24 spectrum    1 weight  0.10000E+01 volume  0.30521E-03 ppm1      9.236 ppm2      0.527 CV     1
 OR {   24}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
 ASSI {   27}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HB  ))
      2.100     0.600     0.600 peak    27 spectrum    1 weight  0.10000E+01 volume  0.30179E-02 ppm1      9.235 ppm2      4.722 CV     1
 ASSI {   32}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      4.300     2.300     1.700 peak    32 spectrum    1 weight  0.10000E+01 volume  0.26781E-03 ppm1      9.233 ppm2      7.695 CV     1
 ASSI {   34}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 5    and name HN  ))
      2.800     1.000     1.000 peak    34 spectrum    1 weight  0.10000E+01 volume  0.13675E-02 ppm1      9.232 ppm2      8.868 CV     1
 ASSI {   44}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 3    and name HB  ))
      3.300     1.400     1.400 peak    44 spectrum    1 weight  0.10000E+01 volume  0.16420E-02 ppm1      8.866 ppm2      4.725 CV     1
 ASSI {   45}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 7    and name HD1%)
      4.900     3.100     1.100 peak    45 spectrum    1 weight  0.10000E+01 volume  0.36934E-03 ppm1      8.866 ppm2      0.537 CV     1
 OR {   45}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
 ASSI {   48}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 8    and name HG2%)
      4.900     3.000     1.100 peak    48 spectrum    1 weight  0.10000E+01 volume  0.24340E-03 ppm1      8.860 ppm2      1.059 CV     1
 ASSI {   49}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 3    and name HG2%)
      4.800     2.900     1.200 peak    49 spectrum    1 weight  0.10000E+01 volume  0.65942E-03 ppm1      8.866 ppm2      1.366 CV     1
 ASSI {   51}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HG2 ))
      3.500     1.600     1.600 peak    51 spectrum    1 weight  0.10000E+01 volume  0.14058E-02 ppm1      8.866 ppm2      2.317 CV     1
 ASSI {   52}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HG2 ))
      3.200     1.300     1.300 peak    52 spectrum    1 weight  0.10000E+01 volume  0.17551E-02 ppm1      8.865 ppm2      2.171 CV     1
 ASSI {   53}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HB1 ))
      2.700     0.900     0.900 peak    53 spectrum    1 weight  0.10000E+01 volume  0.44944E-02 ppm1      8.868 ppm2      2.091 CV     1
 ASSI {   54}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HB2 ))
      2.500     0.800     0.800 peak    54 spectrum    1 weight  0.10000E+01 volume  0.31306E-02 ppm1      8.866 ppm2      1.996 CV     1
 ASSI {   56}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      2.500     0.800     0.800 peak    56 spectrum    1 weight  0.10000E+01 volume  0.27801E-02 ppm1      8.865 ppm2      7.691 CV     1
 ASSI {   58}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 7    and name HN  ))
      2.300     0.600     0.600 peak    58 spectrum    1 weight  0.10000E+01 volume  0.42802E-02 ppm1      7.691 ppm2      8.392 CV     1
 ASSI {   59}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 3    and name HN  ))
      3.800     1.800     1.800 peak    59 spectrum    1 weight  0.10000E+01 volume  0.71358E-03 ppm1      7.692 ppm2      8.549 CV     1
 ASSI {   61}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 54   and name HE% )
      4.700     2.800     1.300 peak    61 spectrum    1 weight  0.10000E+01 volume  0.54492E-03 ppm1      7.697 ppm2      7.106 CV     1
 ASSI {   62}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 3    and name HB  ))
      4.500     2.600     1.500 peak    62 spectrum    1 weight  0.10000E+01 volume  0.31186E-03 ppm1      7.693 ppm2      4.712 CV     1
 ASSI {   68}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HB1 ))
      3.200     1.300     1.300 peak    68 spectrum    1 weight  0.10000E+01 volume  0.39028E-02 ppm1      7.691 ppm2      2.488 CV     1
 ASSI {   70}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 4    and name HB1 ))
      5.200     3.400     0.800 peak    70 spectrum    1 weight  0.10000E+01 volume  0.21547E-03 ppm1      7.696 ppm2      2.223 CV     1
 OR {   70}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 4    and name HG1 ))
 ASSI {   72}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HB2 ))
      3.100     1.200     1.200 peak    72 spectrum    1 weight  0.10000E+01 volume  0.22157E-02 ppm1      7.695 ppm2      1.981 CV     1
 ASSI {   75}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 3    and name HG2%)
      4.700     2.800     1.300 peak    75 spectrum    1 weight  0.10000E+01 volume  0.48892E-03 ppm1      7.689 ppm2      1.366 CV     1
 ASSI {   76}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 8    and name HG2%)
      5.400     3.600     0.600 peak    76 spectrum    1 weight  0.10000E+01 volume  0.17096E-03 ppm1      7.688 ppm2      1.051 CV     1
 ASSI {   78}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 7    and name HD1%)
      5.900     4.300     0.100 peak    78 spectrum    1 weight  0.10000E+01 volume  0.20570E-03 ppm1      7.698 ppm2      0.532 CV     1
 OR {   78}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
 ASSI {   79}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 7    and name HG12))
      5.900     4.300     0.100 peak    79 spectrum    1 weight  0.10000E+01 volume  0.38413E-03 ppm1      7.699 ppm2      0.287 CV     1
 ASSI {   82}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 7    and name HD1%)
      3.600     1.600     1.600 peak    82 spectrum    1 weight  0.10000E+01 volume  0.22317E-02 ppm1      8.393 ppm2      0.538 CV     1
 OR {   82}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
 ASSI {   83}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 73   and name HG2%)
      4.800     2.800     1.200 peak    83 spectrum    1 weight  0.10000E+01 volume  0.36603E-03 ppm1      8.393 ppm2      1.121 CV     1
 ASSI {   85}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 8    and name HG2%)
      4.600     2.700     1.400 peak    85 spectrum    1 weight  0.10000E+01 volume  0.49348E-03 ppm1      8.390 ppm2      1.033 CV     1
 ASSI {   93}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HB1 ))
      3.500     1.600     1.600 peak    93 spectrum    1 weight  0.10000E+01 volume  0.12911E-02 ppm1      8.392 ppm2      2.493 CV     1
 ASSI {  103}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      2.400     0.700     0.700 peak   103 spectrum    1 weight  0.10000E+01 volume  0.69385E-02 ppm1      7.729 ppm2      8.391 CV     1
 ASSI {  104}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      4.000     2.000     2.000 peak   104 spectrum    1 weight  0.10000E+01 volume  0.48596E-03 ppm1      7.732 ppm2      9.239 CV     1
 ASSI {  106}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      4.400     2.400     1.600 peak   106 spectrum    1 weight  0.10000E+01 volume  0.24341E-03 ppm1      7.731 ppm2      8.899 CV     1
 ASSI {  112}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      3.100     1.200     1.200 peak   112 spectrum    1 weight  0.10000E+01 volume  0.14471E-02 ppm1      8.389 ppm2      3.891 CV     1
 ASSI {  116}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      3.900     1.900     1.900 peak   116 spectrum    1 weight  0.10000E+01 volume  0.57776E-03 ppm1      7.729 ppm2      3.883 CV     1
 ASSI {  119}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      3.300     1.400     1.400 peak   119 spectrum    1 weight  0.10000E+01 volume  0.11203E-02 ppm1      7.729 ppm2      4.131 CV     1
 ASSI {  122}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HB  ))
      2.300     0.700     0.700 peak   122 spectrum    1 weight  0.10000E+01 volume  0.29093E-02 ppm1      8.387 ppm2      1.787 CV     1
 ASSI {  123}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 4    and name HG2 ))
      4.300     2.300     1.700 peak   123 spectrum    1 weight  0.10000E+01 volume  0.55298E-03 ppm1      8.388 ppm2      2.198 CV     1
 OR {  123}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 4    and name HG1 ))
 OR {  123}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 4    and name HB1 ))
 ASSI {  133}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
      3.200     1.300     1.300 peak   133 spectrum    1 weight  0.10000E+01 volume  0.14291E-02 ppm1      8.388 ppm2      0.551 CV     1
 ASSI {  135}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 69   and name HG2%)
      5.300     3.600     0.700 peak   135 spectrum    1 weight  0.10000E+01 volume  0.37870E-03 ppm1      8.389 ppm2      0.642 CV     1
 ASSI {  136}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
      5.100     3.300     0.900 peak   136 spectrum    1 weight  0.10000E+01 volume  0.24952E-03 ppm1      7.729 ppm2      0.560 CV     1
 ASSI {  137}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      2.500     0.800     0.800 peak   137 spectrum    1 weight  0.10000E+01 volume  0.30148E-02 ppm1      8.394 ppm2      7.728 CV     1
 ASSI {  138}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      2.500     0.800     0.800 peak   138 spectrum    1 weight  0.10000E+01 volume  0.30344E-02 ppm1      8.395 ppm2      9.240 CV     1
 ASSI {  139}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      4.200     2.200     1.800 peak   139 spectrum    1 weight  0.10000E+01 volume  0.58135E-03 ppm1      8.391 ppm2      8.903 CV     1
 ASSI {  141}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 54   and name HE% )
      4.300     2.400     1.700 peak   141 spectrum    1 weight  0.10000E+01 volume  0.37674E-03 ppm1      8.395 ppm2      7.134 CV     1
 ASSI {  142}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 54   and name HZ  ))
      4.300     2.300     1.700 peak   142 spectrum    1 weight  0.10000E+01 volume  0.50150E-03 ppm1      8.399 ppm2      7.469 CV     1
 OR {  142}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 54   and name HD% )
 ASSI {  144}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      3.400     1.500     1.500 peak   144 spectrum    1 weight  0.10000E+01 volume  0.11001E-02 ppm1      8.394 ppm2      4.228 CV     1
 ASSI {  146}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      4.500     2.600     1.500 peak   146 spectrum    1 weight  0.10000E+01 volume  0.24492E-03 ppm1      8.390 ppm2      3.395 CV     1
 ASSI {  147}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
      5.000     3.200     1.000 peak   147 spectrum    1 weight  0.10000E+01 volume  0.35838E-03 ppm1      8.392 ppm2      2.093 CV     1
 ASSI {  149}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 9    and name HB% )
      2.700     0.900     0.900 peak   149 spectrum    1 weight  0.10000E+01 volume  0.36263E-02 ppm1      8.394 ppm2      1.519 CV     1
 ASSI {  151}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 8    and name HG1%)
      5.100     3.300     0.900 peak   151 spectrum    1 weight  0.10000E+01 volume  0.28722E-03 ppm1      8.391 ppm2      0.881 CV     1
 ASSI {  152}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
      4.900     3.000     1.100 peak   152 spectrum    1 weight  0.10000E+01 volume  0.22615E-03 ppm1      8.393 ppm2      0.553 CV     1
 OR {  152}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 7    and name HD1%)
 ASSI {  158}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      4.000     2.000     2.000 peak   158 spectrum    1 weight  0.10000E+01 volume  0.40945E-03 ppm1      9.238 ppm2      7.948 CV     1
 ASSI {  169}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
      4.300     2.300     1.700 peak   169 spectrum    1 weight  0.10000E+01 volume  0.34549E-03 ppm1      9.241 ppm2      0.558 CV     1
 OR {  169}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 7    and name HD1%)
 ASSI {  183}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      2.500     0.800     0.800 peak   183 spectrum    1 weight  0.10000E+01 volume  0.34112E-02 ppm1      9.241 ppm2      8.908 CV     1
 ASSI {  188}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HA2 ))
      3.300     1.300     1.300 peak   188 spectrum    1 weight  0.10000E+01 volume  0.17569E-02 ppm1      9.239 ppm2      3.875 CV     1
 ASSI {  192}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 11   and name HD1%)
      4.100     2.100     1.900 peak   192 spectrum    1 weight  0.10000E+01 volume  0.16729E-02 ppm1      9.240 ppm2      0.878 CV     1
 OR {  192}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 11   and name HD2%)
 ASSI {  194}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 8    and name HG2%)
      5.100     3.200     0.900 peak   194 spectrum    1 weight  0.10000E+01 volume  0.30935E-03 ppm1      9.239 ppm2      1.044 CV     1
 ASSI {  197}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HG  ))
      3.200     1.300     1.300 peak   197 spectrum    1 weight  0.10000E+01 volume  0.30734E-02 ppm1      9.238 ppm2      1.991 CV     1
 ASSI {  203}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      3.100     1.200     1.200 peak   203 spectrum    1 weight  0.10000E+01 volume  0.14626E-02 ppm1      8.908 ppm2      4.232 CV     1
 ASSI {  208}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
      3.200     1.300     1.300 peak   208 spectrum    1 weight  0.10000E+01 volume  0.12580E-02 ppm1      8.909 ppm2      1.285 CV     1
 ASSI {  209}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 11   and name HD2%)
      4.100     2.100     1.900 peak   209 spectrum    1 weight  0.10000E+01 volume  0.88555E-03 ppm1      8.909 ppm2      0.906 CV     1
 ASSI {  212}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      2.600     0.800     0.800 peak   212 spectrum    1 weight  0.10000E+01 volume  0.28218E-02 ppm1      7.947 ppm2      8.908 CV     1
 ASSI {  218}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      2.900     1.000     1.000 peak   218 spectrum    1 weight  0.10000E+01 volume  0.18632E-02 ppm1      7.946 ppm2      4.053 CV     1
 ASSI {  220}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 10   and name HA2 ))
      3.400     1.500     1.500 peak   220 spectrum    1 weight  0.10000E+01 volume  0.65802E-03 ppm1      7.941 ppm2      3.852 CV     1
 ASSI {  221}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HG1 ))
      3.000     1.100     1.100 peak   221 spectrum    1 weight  0.10000E+01 volume  0.23386E-02 ppm1      7.947 ppm2      2.615 CV     1
 ASSI {  222}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HG2 ))
      2.700     0.900     0.900 peak   222 spectrum    1 weight  0.10000E+01 volume  0.49529E-02 ppm1      7.947 ppm2      2.299 CV     1
 OR {  222}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HB1 ))
 ASSI {  223}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HB2 ))
      2.600     0.800     0.800 peak   223 spectrum    1 weight  0.10000E+01 volume  0.23838E-02 ppm1      7.947 ppm2      2.225 CV     1
 ASSI {  225}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 9    and name HB% )
      3.000     3.000     3.000 peak   225 spectrum    1 weight  0.10000E+01 volume  0.46973E-03 ppm1      7.943 ppm2      1.515 CV     1
 ASSI {  229}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      3.700     1.700     1.700 peak   229 spectrum    1 weight  0.10000E+01 volume  0.77264E-03 ppm1      8.195 ppm2      8.901 CV     1
 ASSI {  232}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      3.600     1.600     1.600 peak   232 spectrum    1 weight  0.10000E+01 volume  0.76618E-03 ppm1      8.195 ppm2      3.943 CV     1
 ASSI {  233}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      3.000     1.100     1.100 peak   233 spectrum    1 weight  0.10000E+01 volume  0.13928E-02 ppm1      8.194 ppm2      4.253 CV     1
 ASSI {  235}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      2.500     0.800     0.800 peak   235 spectrum    1 weight  0.10000E+01 volume  0.27717E-02 ppm1      8.194 ppm2      7.943 CV     1
 ASSI {  237}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HB1 ))
      3.600     1.700     1.700 peak   237 spectrum    1 weight  0.10000E+01 volume  0.16240E-02 ppm1      8.196 ppm2      2.312 CV     1
 OR {  237}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HG2 ))
 ASSI {  238}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HB2 ))
      2.700     0.900     0.900 peak   238 spectrum    1 weight  0.10000E+01 volume  0.17408E-02 ppm1      8.195 ppm2      2.218 CV     1
 ASSI {  240}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HG11))
      3.000     1.100     1.100 peak   240 spectrum    1 weight  0.10000E+01 volume  0.39637E-02 ppm1      8.196 ppm2      1.989 CV     1
 ASSI {  244}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 14   and name HG2%)
      3.300     1.400     1.400 peak   244 spectrum    1 weight  0.10000E+01 volume  0.33541E-02 ppm1      8.196 ppm2      1.060 CV     1
 OR {  244}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HG12))
 ASSI {  246}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 11   and name HD2%)
      4.200     2.200     1.800 peak   246 spectrum    1 weight  0.10000E+01 volume  0.52616E-03 ppm1      8.193 ppm2      0.889 CV     1
 ASSI {  250}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      2.400     0.700     0.700 peak   250 spectrum    1 weight  0.10000E+01 volume  0.25386E-02 ppm1      8.796 ppm2      8.195 CV     1
 ASSI {  252}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      4.200     2.200     1.800 peak   252 spectrum    1 weight  0.10000E+01 volume  0.37692E-03 ppm1      8.793 ppm2      7.950 CV     1
 ASSI {  255}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      4.300     2.300     1.700 peak   255 spectrum    1 weight  0.10000E+01 volume  0.33413E-03 ppm1      8.795 ppm2      3.942 CV     1
 ASSI {  259}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HB  ))
      2.600     0.800     0.800 peak   259 spectrum    1 weight  0.10000E+01 volume  0.28604E-02 ppm1      8.797 ppm2      2.096 CV     1
 ASSI {  260}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HG11))
      4.900     3.000     1.100 peak   260 spectrum    1 weight  0.10000E+01 volume  0.42231E-03 ppm1      8.798 ppm2      1.989 CV     1
 ASSI {  261}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 12   and name HB% )
      4.900     3.000     1.100 peak   261 spectrum    1 weight  0.10000E+01 volume  0.37028E-03 ppm1      8.793 ppm2      1.679 CV     1
 ASSI {  263}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 14   and name HG2%)
      3.300     1.300     1.300 peak   263 spectrum    1 weight  0.10000E+01 volume  0.17948E-02 ppm1      8.795 ppm2      1.071 CV     1
 OR {  263}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HG12))
 ASSI {  266}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 11   and name HD2%)
      4.600     2.700     1.400 peak   266 spectrum    1 weight  0.10000E+01 volume  0.27393E-03 ppm1      8.793 ppm2      0.843 CV     1
 OR {  266}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 11   and name HD1%)
 ASSI {  268}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 46   and name HG1%)
      4.300     2.300     1.700 peak   268 spectrum    1 weight  0.10000E+01 volume  0.32267E-03 ppm1      8.793 ppm2      0.674 CV     1
 ASSI {  269}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      2.400     0.700     0.700 peak   269 spectrum    1 weight  0.10000E+01 volume  0.33441E-02 ppm1      8.686 ppm2      8.788 CV     1
 ASSI {  272}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      3.200     1.300     1.300 peak   272 spectrum    1 weight  0.10000E+01 volume  0.11129E-02 ppm1      8.685 ppm2      4.679 CV     1
 ASSI {  273}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      2.500     0.800     0.800 peak   273 spectrum    1 weight  0.10000E+01 volume  0.23710E-02 ppm1      8.689 ppm2      8.401 CV     1
 ASSI {  274}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      3.800     1.800     1.800 peak   274 spectrum    1 weight  0.10000E+01 volume  0.69326E-03 ppm1      8.686 ppm2      8.191 CV     1
 ASSI {  275}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HD22))
      5.800     4.200     0.200 peak   275 spectrum    1 weight  0.10000E+01 volume  0.44572E-03 ppm1      8.691 ppm2      8.062 CV     1
 ASSI {  276}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      4.400     2.400     1.600 peak   276 spectrum    1 weight  0.10000E+01 volume  0.30848E-03 ppm1      8.690 ppm2      7.955 CV     1
 ASSI {  278}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HD21))
      6.000     4.600     0.000 peak   278 spectrum    1 weight  0.10000E+01 volume  0.11351E-03 ppm1      8.680 ppm2      6.862 CV     1
 ASSI {  281}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      3.100     1.200     1.200 peak   281 spectrum    1 weight  0.10000E+01 volume  0.14479E-02 ppm1      8.686 ppm2      3.943 CV     1
 ASSI {  284}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HB  ))
      2.700     0.900     0.900 peak   284 spectrum    1 weight  0.10000E+01 volume  0.21814E-02 ppm1      8.688 ppm2      2.249 CV     1
 ASSI {  285}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
      5.600     3.900     0.400 peak   285 spectrum    1 weight  0.10000E+01 volume  0.37783E-03 ppm1      8.684 ppm2      2.123 CV     1
 ASSI {  287}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 15   and name HG1%)
      3.100     1.200     1.200 peak   287 spectrum    1 weight  0.10000E+01 volume  0.18573E-02 ppm1      8.687 ppm2      0.996 CV     1
 ASSI {  288}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 11   and name HD2%)
      4.500     2.600     1.500 peak   288 spectrum    1 weight  0.10000E+01 volume  0.65774E-03 ppm1      8.690 ppm2      0.922 CV     1
 ASSI {  290}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      4.600     2.600     1.400 peak   290 spectrum    1 weight  0.10000E+01 volume  0.23973E-03 ppm1      8.402 ppm2      8.789 CV     1
 ASSI {  293}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      2.300     0.700     0.700 peak   293 spectrum    1 weight  0.10000E+01 volume  0.39612E-02 ppm1      8.401 ppm2      8.221 CV     1
 ASSI {  294}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      3.700     1.700     1.700 peak   294 spectrum    1 weight  0.10000E+01 volume  0.43505E-03 ppm1      8.402 ppm2      4.682 CV     1
 ASSI {  296}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      4.200     2.200     1.800 peak   296 spectrum    1 weight  0.10000E+01 volume  0.28043E-03 ppm1      8.400 ppm2      3.605 CV     1
 ASSI {  297}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
      3.000     1.100     1.100 peak   297 spectrum    1 weight  0.10000E+01 volume  0.11656E-02 ppm1      8.403 ppm2      3.104 CV     1
 ASSI {  298}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HG2 ))
      2.000     0.500     0.500 peak   298 spectrum    1 weight  0.10000E+01 volume  0.56281E-02 ppm1      8.401 ppm2      2.260 CV     1
 OR {  298}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
 ASSI {  299}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
      3.100     1.200     1.200 peak   299 spectrum    1 weight  0.10000E+01 volume  0.34758E-02 ppm1      8.402 ppm2      2.137 CV     1
 ASSI {  302}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 18   and name HB  ))
      4.400     2.400     1.600 peak   302 spectrum    1 weight  0.10000E+01 volume  0.62602E-03 ppm1      8.400 ppm2      1.633 CV     1
 OR {  302}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 18   and name HG11))
 ASSI {  303}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 15   and name HG1%)
      4.300     2.400     1.700 peak   303 spectrum    1 weight  0.10000E+01 volume  0.43102E-03 ppm1      8.401 ppm2      0.976 CV     1
 ASSI {  306}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      2.500     0.800     0.800 peak   306 spectrum    1 weight  0.10000E+01 volume  0.33697E-02 ppm1      8.219 ppm2      8.471 CV     1
 ASSI {  307}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 18   and name HG2%)
      3.800     1.800     1.800 peak   307 spectrum    1 weight  0.10000E+01 volume  0.18152E-02 ppm1      8.216 ppm2      0.950 CV     1
 ASSI {  310}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HB  ))
      2.200     0.600     0.600 peak   310 spectrum    1 weight  0.10000E+01 volume  0.76412E-02 ppm1      8.218 ppm2      1.635 CV     1
 OR {  310}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HG11))
 ASSI {  313}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      2.900     1.000     1.000 peak   313 spectrum    1 weight  0.10000E+01 volume  0.31202E-02 ppm1      8.220 ppm2      3.929 CV     1
 ASSI {  314}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      5.000     3.100     1.000 peak   314 spectrum    1 weight  0.10000E+01 volume  0.30405E-03 ppm1      8.211 ppm2      3.839 CV     1
 ASSI {  315}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      3.200     1.300     1.300 peak   315 spectrum    1 weight  0.10000E+01 volume  0.10270E-02 ppm1      8.214 ppm2      3.601 CV     1
 ASSI {  316}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
      3.200     1.300     1.300 peak   316 spectrum    1 weight  0.10000E+01 volume  0.18600E-02 ppm1      8.216 ppm2      2.135 CV     1
 ASSI {  318}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HG1 ))
      4.100     2.100     1.900 peak   318 spectrum    1 weight  0.10000E+01 volume  0.29228E-03 ppm1      8.215 ppm2      2.433 CV     1
 ASSI {  319}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      3.000     1.100     1.100 peak   319 spectrum    1 weight  0.10000E+01 volume  0.17645E-02 ppm1      8.464 ppm2      4.825 CV     1
 ASSI {  321}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      3.400     1.400     1.400 peak   321 spectrum    1 weight  0.10000E+01 volume  0.13522E-02 ppm1      8.464 ppm2      3.932 CV     1
 ASSI {  324}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 18   and name HG2%)
      3.300     1.300     1.300 peak   324 spectrum    1 weight  0.10000E+01 volume  0.16856E-02 ppm1      8.464 ppm2      0.958 CV     1
 ASSI {  325}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HG12))
      4.700     2.800     1.300 peak   325 spectrum    1 weight  0.10000E+01 volume  0.49529E-03 ppm1      8.465 ppm2      1.301 CV     1
 ASSI {  326}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HG11))
      3.600     1.600     1.600 peak   326 spectrum    1 weight  0.10000E+01 volume  0.30774E-02 ppm1      8.465 ppm2      1.630 CV     1
 ASSI {  328}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 17   and name HG2 ))
      3.400     3.400     2.600 peak   328 spectrum    1 weight  0.10000E+01 volume  0.18982E-03 ppm1      8.468 ppm2      2.246 CV     1
 ASSI {  329}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      4.500     2.500     1.500 peak   329 spectrum    1 weight  0.10000E+01 volume  0.48902E-03 ppm1      8.462 ppm2      6.472 CV     1
 ASSI {  331}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      2.200     0.600     0.600 peak   331 spectrum    1 weight  0.10000E+01 volume  0.45509E-02 ppm1      8.465 ppm2      7.832 CV     1
 ASSI {  333}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      3.800     1.800     1.800 peak   333 spectrum    1 weight  0.10000E+01 volume  0.55351E-03 ppm1      7.836 ppm2      8.209 CV     1
 ASSI {  336}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      2.400     0.700     0.700 peak   336 spectrum    1 weight  0.10000E+01 volume  0.25607E-02 ppm1      7.834 ppm2      6.465 CV     1
 ASSI {  337}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      3.500     1.500     1.500 peak   337 spectrum    1 weight  0.10000E+01 volume  0.10588E-02 ppm1      7.833 ppm2      4.826 CV     1
 ASSI {  338}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      3.300     1.300     1.300 peak   338 spectrum    1 weight  0.10000E+01 volume  0.85286E-03 ppm1      7.832 ppm2      4.673 CV     1
 ASSI {  340}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HA2 ))
      2.300     0.700     0.700 peak   340 spectrum    1 weight  0.10000E+01 volume  0.51505E-02 ppm1      7.833 ppm2      3.945 CV     1
 ASSI {  342}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      4.400     2.400     1.600 peak   342 spectrum    1 weight  0.10000E+01 volume  0.28709E-03 ppm1      7.829 ppm2      3.597 CV     1
 ASSI {  343}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 18   and name HG12))
      3.000     3.000     3.000 peak   343 spectrum    1 weight  0.10000E+01 volume  0.45478E-03 ppm1      7.842 ppm2      1.301 CV     1
 ASSI {  344}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 18   and name HG2%)
      4.900     3.000     1.100 peak   344 spectrum    1 weight  0.10000E+01 volume  0.47513E-03 ppm1      7.833 ppm2      0.949 CV     1
 ASSI {  345}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 21   and name HD1%)
      6.000     4.500     0.000 peak   345 spectrum    1 weight  0.10000E+01 volume  0.20419E-03 ppm1      7.833 ppm2      0.845 CV     1
 ASSI {  346}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 18   and name HB  ))
      4.600     2.600     1.400 peak   346 spectrum    1 weight  0.10000E+01 volume  0.63370E-03 ppm1      7.835 ppm2      1.627 CV     1
 ASSI {  348}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 16   and name HD22))
      4.600     2.600     1.400 peak   348 spectrum    1 weight  0.10000E+01 volume  0.41626E-03 ppm1      6.465 ppm2      8.060 CV     1
 ASSI {  353}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      2.700     0.900     0.900 peak   353 spectrum    1 weight  0.10000E+01 volume  0.23249E-02 ppm1      6.466 ppm2      4.677 CV     1
 ASSI {  355}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HA1 ))
      3.400     1.400     1.400 peak   355 spectrum    1 weight  0.10000E+01 volume  0.13049E-02 ppm1      6.469 ppm2      4.059 CV     1
 ASSI {  357}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
      5.000     3.100     1.000 peak   357 spectrum    1 weight  0.10000E+01 volume  0.41513E-03 ppm1      6.465 ppm2      3.104 CV     1
 ASSI {  358}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      5.100     3.300     0.900 peak   358 spectrum    1 weight  0.10000E+01 volume  0.19533E-03 ppm1      6.468 ppm2      2.737 CV     1
 ASSI {  360}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HB  ))
      2.200     0.600     0.600 peak   360 spectrum    1 weight  0.10000E+01 volume  0.46679E-02 ppm1      6.466 ppm2      1.601 CV     1
 ASSI {  362}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 21   and name HG2%)
      3.600     1.600     1.600 peak   362 spectrum    1 weight  0.10000E+01 volume  0.23726E-02 ppm1      6.466 ppm2      1.008 CV     1
 ASSI {  367}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      2.600     0.800     0.800 peak   367 spectrum    1 weight  0.10000E+01 volume  0.24784E-02 ppm1      9.248 ppm2      8.515 CV     1
 ASSI {  371}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 16   and name HD21))
      3.200     1.300     1.300 peak   371 spectrum    1 weight  0.10000E+01 volume  0.72632E-03 ppm1      8.516 ppm2      6.857 CV     1
 ASSI {  372}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 16   and name HD22))
      4.100     2.100     1.900 peak   372 spectrum    1 weight  0.10000E+01 volume  0.43536E-03 ppm1      8.516 ppm2      8.061 CV     1
 ASSI {  382}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      2.600     0.800     0.800 peak   382 spectrum    1 weight  0.10000E+01 volume  0.26841E-02 ppm1      7.734 ppm2      9.247 CV     1
 ASSI {  389}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      2.200     0.600     0.600 peak   389 spectrum    1 weight  0.10000E+01 volume  0.45584E-02 ppm1      7.736 ppm2      7.488 CV     1
 ASSI {  391}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      4.800     2.900     1.200 peak   391 spectrum    1 weight  0.10000E+01 volume  0.27932E-03 ppm1      7.734 ppm2      4.295 CV     1
 ASSI {  392}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      3.100     1.200     1.200 peak   392 spectrum    1 weight  0.10000E+01 volume  0.12078E-02 ppm1      7.735 ppm2      4.042 CV     1
 ASSI {  393}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 22   and name HD2 ))
      5.100     3.200     0.900 peak   393 spectrum    1 weight  0.10000E+01 volume  0.28661E-03 ppm1      7.732 ppm2      3.705 CV     1
 ASSI {  395}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
      2.400     0.700     0.700 peak   395 spectrum    1 weight  0.10000E+01 volume  0.36122E-02 ppm1      7.734 ppm2      2.686 CV     1
 ASSI {  398}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HG2 ))
      3.300     1.400     1.400 peak   398 spectrum    1 weight  0.10000E+01 volume  0.12859E-02 ppm1      7.733 ppm2      2.287 CV     1
 ASSI {  400}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HB1 ))
      3.600     1.600     1.600 peak   400 spectrum    1 weight  0.10000E+01 volume  0.11934E-02 ppm1      7.733 ppm2      2.006 CV     1
 OR {  400}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HB2 ))
 ASSI {  403}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 23   and name HG2%)
      2.500     2.500     3.500 peak   403 spectrum    1 weight  0.10000E+01 volume  0.11965E-02 ppm1      7.734 ppm2      1.009 CV     1
 ASSI {  404}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 26   and name HG2%)
      3.500     1.600     1.600 peak   404 spectrum    1 weight  0.10000E+01 volume  0.10917E-02 ppm1      7.734 ppm2      0.918 CV     1
 ASSI {  408}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      3.400     1.500     1.500 peak   408 spectrum    1 weight  0.10000E+01 volume  0.11026E-02 ppm1      7.490 ppm2      4.599 CV     1
 ASSI {  409}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      3.500     1.500     1.500 peak   409 spectrum    1 weight  0.10000E+01 volume  0.12146E-02 ppm1      7.489 ppm2      4.041 CV     1
 ASSI {  412}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
      3.700     1.800     1.800 peak   412 spectrum    1 weight  0.10000E+01 volume  0.72357E-03 ppm1      7.489 ppm2      2.688 CV     1
 ASSI {  413}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      4.500     2.500     1.500 peak   413 spectrum    1 weight  0.10000E+01 volume  0.69335E-03 ppm1      7.489 ppm2      2.591 CV     1
 ASSI {  414}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HB  ))
      2.200     0.600     0.600 peak   414 spectrum    1 weight  0.10000E+01 volume  0.56103E-02 ppm1      7.489 ppm2      2.339 CV     1
 ASSI {  415}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 24   and name HB2 ))
      3.100     3.100     2.900 peak   415 spectrum    1 weight  0.10000E+01 volume  0.36772E-03 ppm1      7.490 ppm2      2.018 CV     1
 OR {  415}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 24   and name HB1 ))
 ASSI {  417}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 12   and name HB% )
      3.500     1.500     1.500 peak   417 spectrum    1 weight  0.10000E+01 volume  0.88333E-03 ppm1      7.488 ppm2      1.687 CV     1
 ASSI {  421}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 26   and name HG2%)
      2.300     0.700     0.700 peak   421 spectrum    1 weight  0.10000E+01 volume  0.59593E-02 ppm1      7.489 ppm2      0.922 CV     1
 ASSI {  423}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      5.200     3.300     0.800 peak   423 spectrum    1 weight  0.10000E+01 volume  0.38251E-03 ppm1      7.490 ppm2      9.251 CV     1
 ASSI {  426}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HB1 ))
      3.400     1.400     1.400 peak   426 spectrum    1 weight  0.10000E+01 volume  0.17707E-02 ppm1      6.368 ppm2      2.050 CV     1
 ASSI {  427}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HD2 ))
      3.300     1.400     1.400 peak   427 spectrum    1 weight  0.10000E+01 volume  0.20467E-02 ppm1      6.368 ppm2      1.796 CV     1
 OR {  427}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HD1 ))
 ASSI {  428}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      2.500     0.800     0.800 peak   428 spectrum    1 weight  0.10000E+01 volume  0.21332E-02 ppm1      6.369 ppm2      1.537 CV     1
 ASSI {  429}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HG2 ))
      2.400     0.700     0.700 peak   429 spectrum    1 weight  0.10000E+01 volume  0.34037E-02 ppm1      6.369 ppm2      1.341 CV     1
 OR {  429}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HG1 ))
 ASSI {  431}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      2.800     1.000     1.000 peak   431 spectrum    1 weight  0.10000E+01 volume  0.12285E-02 ppm1      6.367 ppm2      4.626 CV     1
 ASSI {  432}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      3.200     1.300     1.300 peak   432 spectrum    1 weight  0.10000E+01 volume  0.78928E-03 ppm1      6.370 ppm2      7.498 CV     1
 ASSI {  434}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 26   and name HG2%)
      4.300     2.400     1.700 peak   434 spectrum    1 weight  0.10000E+01 volume  0.70334E-03 ppm1      6.370 ppm2      0.923 CV     1
 ASSI {  438}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HE1 ))
      4.600     2.600     1.400 peak   438 spectrum    1 weight  0.10000E+01 volume  0.37817E-03 ppm1      6.369 ppm2      3.036 CV     1
 OR {  438}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HE2 ))
 ASSI {  441}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      4.700     2.800     1.300 peak   441 spectrum    1 weight  0.10000E+01 volume  0.25352E-03 ppm1      8.460 ppm2      6.367 CV     1
 ASSI {  445}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      2.500     0.800     0.800 peak   445 spectrum    1 weight  0.10000E+01 volume  0.33803E-02 ppm1      8.457 ppm2      4.631 CV     1
 ASSI {  446}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 28   and name HD2%)
      3.500     1.500     1.500 peak   446 spectrum    1 weight  0.10000E+01 volume  0.13060E-02 ppm1      8.456 ppm2      0.906 CV     1
 ASSI {  447}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 28   and name HD1%)
      4.100     2.100     1.900 peak   447 spectrum    1 weight  0.10000E+01 volume  0.10098E-02 ppm1      8.457 ppm2      0.810 CV     1
 ASSI {  449}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 8    and name HG2%)
      4.900     3.100     1.100 peak   449 spectrum    1 weight  0.10000E+01 volume  0.16790E-03 ppm1      8.453 ppm2      1.012 CV     1
 ASSI {  450}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HB1 ))
      2.500     0.800     0.800 peak   450 spectrum    1 weight  0.10000E+01 volume  0.62265E-02 ppm1      8.457 ppm2      1.753 CV     1
 OR {  450}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HG  ))
 ASSI {  453}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HB2 ))
      2.700     0.900     0.900 peak   453 spectrum    1 weight  0.10000E+01 volume  0.15557E-02 ppm1      8.457 ppm2      1.467 CV     1
 ASSI {  454}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HG1 ))
      4.500     2.500     1.500 peak   454 spectrum    1 weight  0.10000E+01 volume  0.84778E-03 ppm1      8.457 ppm2      1.330 CV     1
 OR {  454}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HG2 ))
 ASSI {  455}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HB1 ))
      2.500     0.800     0.800 peak   455 spectrum    1 weight  0.10000E+01 volume  0.21615E-02 ppm1      8.457 ppm2      2.055 CV     1
 ASSI {  456}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 69   and name HG2%)
      4.400     2.400     1.600 peak   456 spectrum    1 weight  0.10000E+01 volume  0.44575E-03 ppm1      8.456 ppm2      0.651 CV     1
 ASSI {  457}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 69   and name HB  ))
      5.400     3.600     0.600 peak   457 spectrum    1 weight  0.10000E+01 volume  0.18443E-03 ppm1      8.457 ppm2      2.290 CV     1
 ASSI {  460}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
      3.000     1.100     1.100 peak   460 spectrum    1 weight  0.10000E+01 volume  0.19375E-02 ppm1      8.398 ppm2      2.589 CV     1
 ASSI {  461}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HB1 ))
      3.300     1.400     1.400 peak   461 spectrum    1 weight  0.10000E+01 volume  0.14735E-02 ppm1      8.390 ppm2      2.770 CV     1
 ASSI {  462}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      3.100     1.200     1.200 peak   462 spectrum    1 weight  0.10000E+01 volume  0.83123E-03 ppm1      8.393 ppm2      1.535 CV     1
 ASSI {  463}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HB2 ))
      3.200     1.300     1.300 peak   463 spectrum    1 weight  0.10000E+01 volume  0.11854E-02 ppm1      8.395 ppm2      1.468 CV     1
 ASSI {  464}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 27   and name HG2 ))
      4.500     2.500     1.500 peak   464 spectrum    1 weight  0.10000E+01 volume  0.86897E-03 ppm1      8.391 ppm2      1.345 CV     1
 OR {  464}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 27   and name HG1 ))
 ASSI {  465}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 27   and name HB1 ))
      3.500     1.500     1.500 peak   465 spectrum    1 weight  0.10000E+01 volume  0.13645E-02 ppm1      8.395 ppm2      2.056 CV     1
 ASSI {  466}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HB1 ))
      3.400     1.400     1.400 peak   466 spectrum    1 weight  0.10000E+01 volume  0.20717E-02 ppm1      8.395 ppm2      1.734 CV     1
 OR {  466}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HG  ))
 ASSI {  467}
   (( segid "    " and resid 29   and name HN  ))
   (  segid "    " and resid 28   and name HD2%)
      4.800     2.900     1.200 peak   467 spectrum    1 weight  0.10000E+01 volume  0.41732E-03 ppm1      8.393 ppm2      0.910 CV     1
 ASSI {  468}
   (( segid "    " and resid 29   and name HN  ))
   (  segid "    " and resid 28   and name HD1%)
      5.600     3.900     0.400 peak   468 spectrum    1 weight  0.10000E+01 volume  0.22001E-03 ppm1      8.399 ppm2      0.805 CV     1
 ASSI {  469}
   (( segid "    " and resid 29   and name HN  ))
   (  segid "    " and resid 69   and name HG2%)
      4.900     2.900     1.100 peak   469 spectrum    1 weight  0.10000E+01 volume  0.18991E-03 ppm1      8.392 ppm2      0.660 CV     1
 ASSI {  471}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      2.700     0.900     0.900 peak   471 spectrum    1 weight  0.10000E+01 volume  0.29356E-02 ppm1      8.395 ppm2      7.506 CV     1
 ASSI {  475}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 69   and name HG2%)
      3.500     1.500     1.500 peak   475 spectrum    1 weight  0.10000E+01 volume  0.52666E-03 ppm1      7.502 ppm2      0.639 CV     1
 ASSI {  476}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 69   and name HG1%)
      3.900     1.900     1.900 peak   476 spectrum    1 weight  0.10000E+01 volume  0.88567E-03 ppm1      7.504 ppm2      0.452 CV     1
 ASSI {  479}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HD2 ))
      3.800     1.800     1.800 peak   479 spectrum    1 weight  0.10000E+01 volume  0.10898E-02 ppm1      7.505 ppm2      1.464 CV     1
 ASSI {  480}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HG2 ))
      2.400     0.700     0.700 peak   480 spectrum    1 weight  0.10000E+01 volume  0.44160E-02 ppm1      7.504 ppm2      1.351 CV     1
 ASSI {  481}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HG1 ))
      3.700     1.700     1.700 peak   481 spectrum    1 weight  0.10000E+01 volume  0.15632E-02 ppm1      7.504 ppm2      1.795 CV     1
 ASSI {  482}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
      3.000     1.200     1.200 peak   482 spectrum    1 weight  0.10000E+01 volume  0.40783E-02 ppm1      7.504 ppm2      2.049 CV     1
 ASSI {  484}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HB1 ))
      4.600     2.700     1.400 peak   484 spectrum    1 weight  0.10000E+01 volume  0.48187E-03 ppm1      7.504 ppm2      2.770 CV     1
 ASSI {  485}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
      4.500     2.500     1.500 peak   485 spectrum    1 weight  0.10000E+01 volume  0.50388E-03 ppm1      7.505 ppm2      2.590 CV     1
 ASSI {  487}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HE1 ))
      4.600     2.700     1.400 peak   487 spectrum    1 weight  0.10000E+01 volume  0.51087E-03 ppm1      7.507 ppm2      3.029 CV     1
 ASSI {  488}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HE2 ))
      5.400     3.600     0.600 peak   488 spectrum    1 weight  0.10000E+01 volume  0.28529E-03 ppm1      7.506 ppm2      2.961 CV     1
 ASSI {  493}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      4.300     2.300     1.700 peak   493 spectrum    1 weight  0.10000E+01 volume  0.60430E-03 ppm1      7.503 ppm2      6.373 CV     1
 ASSI {  497}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
      4.900     3.000     1.100 peak   497 spectrum    1 weight  0.10000E+01 volume  0.23406E-03 ppm1     10.188 ppm2      8.168 CV     1
 ASSI {  498}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      4.000     2.000     2.000 peak   498 spectrum    1 weight  0.10000E+01 volume  0.40149E-03 ppm1     10.184 ppm2      7.670 CV     1
 ASSI {  499}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      4.100     2.100     1.900 peak   499 spectrum    1 weight  0.10000E+01 volume  0.58710E-03 ppm1     10.183 ppm2      7.503 CV     1
 ASSI {  504}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      3.100     1.200     1.200 peak   504 spectrum    1 weight  0.10000E+01 volume  0.58585E-03 ppm1     10.185 ppm2      4.915 CV     1
 ASSI {  505}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HE1 ))
      3.600     1.600     1.600 peak   505 spectrum    1 weight  0.10000E+01 volume  0.21692E-02 ppm1     10.185 ppm2      3.041 CV     1
 ASSI {  508}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      6.000     4.800     0.000 peak   508 spectrum    1 weight  0.10000E+01 volume  0.17182E-03 ppm1     10.173 ppm2      2.439 CV     1
 ASSI {  510}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
      3.800     1.800     1.800 peak   510 spectrum    1 weight  0.10000E+01 volume  0.49420E-03 ppm1     10.184 ppm2      2.052 CV     1
 ASSI {  511}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HG1 ))
      5.900     4.400     0.100 peak   511 spectrum    1 weight  0.10000E+01 volume  0.21480E-03 ppm1     10.187 ppm2      1.795 CV     1
 ASSI {  512}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HD1 ))
      4.800     2.900     1.200 peak   512 spectrum    1 weight  0.10000E+01 volume  0.82006E-03 ppm1     10.184 ppm2      1.558 CV     1
 ASSI {  513}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HD2 ))
      4.500     2.500     1.500 peak   513 spectrum    1 weight  0.10000E+01 volume  0.63785E-03 ppm1     10.187 ppm2      1.469 CV     1
 ASSI {  514}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
      3.900     1.900     1.900 peak   514 spectrum    1 weight  0.10000E+01 volume  0.12677E-02 ppm1     10.185 ppm2      1.365 CV     1
 OR {  514}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HG2 ))
 ASSI {  515}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 68   and name HG2%)
      4.300     2.300     1.700 peak   515 spectrum    1 weight  0.10000E+01 volume  0.47469E-03 ppm1     10.185 ppm2      1.057 CV     1
 ASSI {  516}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 36   and name HD2%)
      5.600     3.900     0.400 peak   516 spectrum    1 weight  0.10000E+01 volume  0.21170E-03 ppm1     10.193 ppm2      0.791 CV     1
 ASSI {  520}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 32   and name HD% )
      2.800     1.000     1.000 peak   520 spectrum    1 weight  0.10000E+01 volume  0.20994E-02 ppm1      8.179 ppm2      7.174 CV     1
 ASSI {  524}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      2.700     0.900     0.900 peak   524 spectrum    1 weight  0.10000E+01 volume  0.16872E-02 ppm1      8.179 ppm2      5.228 CV     1
 ASSI {  527}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
      2.500     0.800     0.800 peak   527 spectrum    1 weight  0.10000E+01 volume  0.17807E-02 ppm1      8.179 ppm2      3.091 CV     1
 ASSI {  528}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      2.600     0.800     0.800 peak   528 spectrum    1 weight  0.10000E+01 volume  0.19334E-02 ppm1      8.179 ppm2      4.077 CV     1
 ASSI {  529}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 68   and name HB  ))
      4.900     3.000     1.100 peak   529 spectrum    1 weight  0.10000E+01 volume  0.34412E-03 ppm1      8.175 ppm2      4.329 CV     1
 ASSI {  530}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 68   and name HG2%)
      4.700     2.700     1.300 peak   530 spectrum    1 weight  0.10000E+01 volume  0.49570E-03 ppm1      8.179 ppm2      1.050 CV     1
 ASSI {  532}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 69   and name HG1%)
      4.500     2.500     1.500 peak   532 spectrum    1 weight  0.10000E+01 volume  0.22225E-03 ppm1      8.179 ppm2      0.461 CV     1
 ASSI {  535}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 33   and name HG2%)
      5.400     3.600     0.600 peak   535 spectrum    1 weight  0.10000E+01 volume  0.22919E-03 ppm1      8.182 ppm2      1.301 CV     1
 ASSI {  542}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      2.900     1.000     1.000 peak   542 spectrum    1 weight  0.10000E+01 volume  0.18655E-02 ppm1      8.596 ppm2      4.485 CV     1
 ASSI {  543}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
      3.200     1.200     1.200 peak   543 spectrum    1 weight  0.10000E+01 volume  0.12455E-02 ppm1      8.597 ppm2      8.181 CV     1
 ASSI {  545}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 32   and name HD% )
      4.900     3.000     1.100 peak   545 spectrum    1 weight  0.10000E+01 volume  0.45952E-03 ppm1      8.598 ppm2      7.172 CV     1
 ASSI {  547}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
      3.400     1.400     1.400 peak   547 spectrum    1 weight  0.10000E+01 volume  0.13354E-02 ppm1      8.597 ppm2      3.155 CV     1
 ASSI {  548}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
      2.500     0.800     0.800 peak   548 spectrum    1 weight  0.10000E+01 volume  0.22457E-02 ppm1      8.595 ppm2      3.093 CV     1
 ASSI {  549}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HB1 ))
      3.500     1.500     1.500 peak   549 spectrum    1 weight  0.10000E+01 volume  0.92088E-03 ppm1      7.972 ppm2      2.771 CV     1
 ASSI {  550}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      3.500     1.500     1.500 peak   550 spectrum    1 weight  0.10000E+01 volume  0.11641E-02 ppm1      7.968 ppm2      2.438 CV     1
 ASSI {  552}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      3.300     1.300     1.300 peak   552 spectrum    1 weight  0.10000E+01 volume  0.95946E-03 ppm1      7.971 ppm2      4.596 CV     1
 ASSI {  553}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HB  ))
      4.000     2.000     2.000 peak   553 spectrum    1 weight  0.10000E+01 volume  0.10313E-02 ppm1      7.970 ppm2      4.173 CV     1
 ASSI {  554}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 33   and name HG2%)
      4.700     2.800     1.300 peak   554 spectrum    1 weight  0.10000E+01 volume  0.52963E-03 ppm1      7.971 ppm2      1.284 CV     1
 ASSI {  555}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      3.200     1.300     1.300 peak   555 spectrum    1 weight  0.10000E+01 volume  0.10591E-02 ppm1      7.970 ppm2      8.591 CV     1
 ASSI {  556}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      2.700     0.900     0.900 peak   556 spectrum    1 weight  0.10000E+01 volume  0.13005E-02 ppm1      7.971 ppm2      7.673 CV     1
 ASSI {  559}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HB1 ))
      3.500     1.500     1.500 peak   559 spectrum    1 weight  0.10000E+01 volume  0.18056E-02 ppm1      7.666 ppm2      3.036 CV     1
 ASSI {  560}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      4.200     2.200     1.800 peak   560 spectrum    1 weight  0.10000E+01 volume  0.41866E-03 ppm1      7.673 ppm2      4.595 CV     1
 ASSI {  561}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
      2.700     0.900     0.900 peak   561 spectrum    1 weight  0.10000E+01 volume  0.12755E-02 ppm1      7.667 ppm2      2.729 CV     1
 ASSI {  562}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      3.800     1.800     1.800 peak   562 spectrum    1 weight  0.10000E+01 volume  0.59275E-03 ppm1      7.502 ppm2      5.022 CV     1
 ASSI {  563}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 36   and name HG  ))
      4.000     2.000     2.000 peak   563 spectrum    1 weight  0.10000E+01 volume  0.60058E-03 ppm1      7.661 ppm2      1.467 CV     1
 ASSI {  564}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HG  ))
      2.400     0.700     0.700 peak   564 spectrum    1 weight  0.10000E+01 volume  0.25300E-02 ppm1      7.507 ppm2      1.468 CV     1
 ASSI {  565}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      3.900     1.900     1.900 peak   565 spectrum    1 weight  0.10000E+01 volume  0.10605E-02 ppm1      7.670 ppm2      2.439 CV     1
 ASSI {  569}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      3.000     1.100     1.100 peak   569 spectrum    1 weight  0.10000E+01 volume  0.16224E-02 ppm1      7.667 ppm2      3.853 CV     1
 ASSI {  570}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      2.200     0.600     0.600 peak   570 spectrum    1 weight  0.10000E+01 volume  0.38001E-02 ppm1      7.669 ppm2      7.506 CV     1
 ASSI {  573}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      5.300     3.500     0.700 peak   573 spectrum    1 weight  0.10000E+01 volume  0.41382E-03 ppm1      7.506 ppm2      8.045 CV     1
 ASSI {  574}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      2.400     0.700     0.700 peak   574 spectrum    1 weight  0.10000E+01 volume  0.25731E-02 ppm1      7.505 ppm2      7.281 CV     1
 ASSI {  576}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HB1 ))
      3.400     1.500     1.500 peak   576 spectrum    1 weight  0.10000E+01 volume  0.16938E-02 ppm1      7.505 ppm2      3.038 CV     1
 ASSI {  578}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
      3.400     1.400     1.400 peak   578 spectrum    1 weight  0.10000E+01 volume  0.21514E-02 ppm1      7.506 ppm2      2.303 CV     1
 ASSI {  579}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
      2.700     0.900     0.900 peak   579 spectrum    1 weight  0.10000E+01 volume  0.14570E-02 ppm1      7.506 ppm2      1.578 CV     1
 ASSI {  583}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      3.200     1.300     1.300 peak   583 spectrum    1 weight  0.10000E+01 volume  0.22472E-02 ppm1      7.290 ppm2      8.040 CV     1
 ASSI {  585}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      3.100     1.200     1.200 peak   585 spectrum    1 weight  0.10000E+01 volume  0.16919E-02 ppm1      7.285 ppm2      2.415 CV     1
 ASSI {  587}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 38   and name HG1%)
      3.900     1.900     1.900 peak   587 spectrum    1 weight  0.10000E+01 volume  0.63798E-03 ppm1      7.281 ppm2      0.930 CV     1
 OR {  587}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
 ASSI {  590}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      4.200     2.200     1.800 peak   590 spectrum    1 weight  0.10000E+01 volume  0.44619E-03 ppm1      8.054 ppm2      4.069 CV     1
 ASSI {  594}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
      4.500     2.500     1.500 peak   594 spectrum    1 weight  0.10000E+01 volume  0.15332E-03 ppm1      8.049 ppm2      3.169 CV     1
 ASSI {  596}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
      3.900     1.900     1.900 peak   596 spectrum    1 weight  0.10000E+01 volume  0.45125E-03 ppm1      8.044 ppm2      1.583 CV     1
 ASSI {  597}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      5.300     3.500     0.700 peak   597 spectrum    1 weight  0.10000E+01 volume  0.30348E-03 ppm1      8.050 ppm2      2.412 CV     1
 ASSI {  599}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      3.200     1.200     1.200 peak   599 spectrum    1 weight  0.10000E+01 volume  0.11083E-02 ppm1      8.296 ppm2      4.647 CV     1
 ASSI {  602}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
      3.300     1.400     1.400 peak   602 spectrum    1 weight  0.10000E+01 volume  0.31989E-02 ppm1      8.297 ppm2      0.931 CV     1
 OR {  602}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 38   and name HG1%)
 ASSI {  610}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      3.500     1.500     1.500 peak   610 spectrum    1 weight  0.10000E+01 volume  0.64946E-03 ppm1      8.979 ppm2      8.304 CV     1
 ASSI {  611}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      2.900     1.100     1.100 peak   611 spectrum    1 weight  0.10000E+01 volume  0.16523E-02 ppm1      8.979 ppm2      8.054 CV     1
 ASSI {  614}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HB1 ))
      2.700     0.900     0.900 peak   614 spectrum    1 weight  0.10000E+01 volume  0.30436E-02 ppm1      8.978 ppm2      3.077 CV     1
 ASSI {  616}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HB2 ))
      3.500     1.500     1.500 peak   616 spectrum    1 weight  0.10000E+01 volume  0.14917E-02 ppm1      8.979 ppm2      2.770 CV     1
 ASSI {  617}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      2.400     0.700     0.700 peak   617 spectrum    1 weight  0.10000E+01 volume  0.47647E-02 ppm1      8.976 ppm2      4.101 CV     1
 OR {  617}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
 ASSI {  619}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
      3.600     1.600     1.600 peak   619 spectrum    1 weight  0.10000E+01 volume  0.31287E-02 ppm1      8.977 ppm2      4.152 CV     1
 ASSI {  621}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      3.200     1.300     1.300 peak   621 spectrum    1 weight  0.10000E+01 volume  0.11217E-02 ppm1      8.055 ppm2      8.978 CV     1
 ASSI {  622}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 42   and name HN  ))
      2.400     0.700     0.700 peak   622 spectrum    1 weight  0.10000E+01 volume  0.37099E-02 ppm1      8.053 ppm2      8.336 CV     1
 ASSI {  627}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 41   and name HD2%)
      4.300     2.300     1.700 peak   627 spectrum    1 weight  0.10000E+01 volume  0.84550E-03 ppm1      8.054 ppm2      0.977 CV     1
 ASSI {  628}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 41   and name HD1%)
      4.600     2.600     1.400 peak   628 spectrum    1 weight  0.10000E+01 volume  0.78525E-03 ppm1      8.052 ppm2      0.901 CV     1
 ASSI {  632}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name H28B))
      3.800     1.800     1.800 peak   632 spectrum    1 weight  0.10000E+01 volume  0.24167E-03 ppm1      8.053 ppm2      3.310 CV     1
 ASSI {  633}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 39   and name HB1 ))
      3.800     1.800     1.800 peak   633 spectrum    1 weight  0.10000E+01 volume  0.60149E-03 ppm1      8.055 ppm2      3.081 CV     1
 ASSI {  634}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 39   and name HB2 ))
      5.100     3.200     0.900 peak   634 spectrum    1 weight  0.10000E+01 volume  0.45568E-03 ppm1      8.055 ppm2      2.761 CV     1
 ASSI {  635}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      2.700     0.900     0.900 peak   635 spectrum    1 weight  0.10000E+01 volume  0.27795E-02 ppm1      8.054 ppm2      4.274 CV     1
 ASSI {  636}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      3.000     1.100     1.100 peak   636 spectrum    1 weight  0.10000E+01 volume  0.15592E-02 ppm1      8.055 ppm2      4.104 CV     1
 OR {  636}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
 ASSI {  637}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      4.300     2.400     1.700 peak   637 spectrum    1 weight  0.10000E+01 volume  0.24859E-03 ppm1      8.054 ppm2      4.644 CV     1
 ASSI {  639}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HB1 ))
      3.000     1.100     1.100 peak   639 spectrum    1 weight  0.10000E+01 volume  0.18693E-02 ppm1      8.338 ppm2      3.974 CV     1
 ASSI {  641}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 39   and name HB1 ))
      4.100     2.100     1.900 peak   641 spectrum    1 weight  0.10000E+01 volume  0.11242E-03 ppm1      8.343 ppm2      3.087 CV     1
 ASSI {  642}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 39   and name HB2 ))
      6.000     4.800     0.000 peak   642 spectrum    1 weight  0.10000E+01 volume  0.13865E-03 ppm1      8.341 ppm2      2.778 CV     1
 ASSI {  644}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
      3.700     1.700     1.700 peak   644 spectrum    1 weight  0.10000E+01 volume  0.10517E-02 ppm1      8.338 ppm2      1.623 CV     1
 ASSI {  645}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HB1 ))
      3.700     1.700     1.700 peak   645 spectrum    1 weight  0.10000E+01 volume  0.16269E-02 ppm1      8.339 ppm2      1.883 CV     1
 ASSI {  646}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 41   and name HD2%)
      3.300     1.400     1.400 peak   646 spectrum    1 weight  0.10000E+01 volume  0.78790E-03 ppm1      8.339 ppm2      0.935 CV     1
 OR {  646}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 41   and name HD1%)
 ASSI {  647}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HG  ))
      3.700     1.700     1.700 peak   647 spectrum    1 weight  0.10000E+01 volume  0.29501E-03 ppm1      8.340 ppm2      1.720 CV     1
 ASSI {  648}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 44   and name HN  ))
      4.900     3.000     1.100 peak   648 spectrum    1 weight  0.10000E+01 volume  0.22777E-03 ppm1      8.343 ppm2      7.246 CV     1
 ASSI {  649}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      4.300     2.400     1.700 peak   649 spectrum    1 weight  0.10000E+01 volume  0.21632E-03 ppm1      8.282 ppm2      8.997 CV     1
 ASSI {  651}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 44   and name HN  ))
      2.800     0.900     0.900 peak   651 spectrum    1 weight  0.10000E+01 volume  0.18173E-02 ppm1      8.284 ppm2      7.251 CV     1
 ASSI {  652}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
      4.500     2.500     1.500 peak   652 spectrum    1 weight  0.10000E+01 volume  0.25739E-03 ppm1      8.288 ppm2      6.995 CV     1
 ASSI {  653}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      3.300     1.400     1.400 peak   653 spectrum    1 weight  0.10000E+01 volume  0.92903E-03 ppm1      8.283 ppm2      4.100 CV     1
 ASSI {  654}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      2.700     0.900     0.900 peak   654 spectrum    1 weight  0.10000E+01 volume  0.23950E-02 ppm1      8.285 ppm2      3.940 CV     1
 ASSI {  655}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      3.400     1.500     1.500 peak   655 spectrum    1 weight  0.10000E+01 volume  0.78912E-03 ppm1      8.283 ppm2      4.270 CV     1
 ASSI {  656}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
      4.000     2.000     2.000 peak   656 spectrum    1 weight  0.10000E+01 volume  0.56765E-03 ppm1      8.283 ppm2      3.618 CV     1
 ASSI {  657}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
      3.300     1.300     1.300 peak   657 spectrum    1 weight  0.10000E+01 volume  0.15616E-02 ppm1      8.285 ppm2      1.813 CV     1
 ASSI {  658}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HG2 ))
      3.500     1.500     1.500 peak   658 spectrum    1 weight  0.10000E+01 volume  0.17435E-02 ppm1      8.283 ppm2      2.223 CV     1
 OR {  658}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HG1 ))
 ASSI {  659}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HB1 ))
      2.500     0.800     0.800 peak   659 spectrum    1 weight  0.10000E+01 volume  0.24379E-02 ppm1      8.284 ppm2      2.061 CV     1
 ASSI {  661}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 44   and name HG2%)
      5.000     3.100     1.000 peak   661 spectrum    1 weight  0.10000E+01 volume  0.29552E-03 ppm1      8.283 ppm2      1.130 CV     1
 ASSI {  665}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
      2.500     0.800     0.800 peak   665 spectrum    1 weight  0.10000E+01 volume  0.27523E-02 ppm1      7.252 ppm2      7.002 CV     1
 ASSI {  666}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      3.400     1.400     1.400 peak   666 spectrum    1 weight  0.10000E+01 volume  0.84091E-03 ppm1      7.251 ppm2      4.270 CV     1
 ASSI {  669}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 44   and name HB  ))
      2.500     0.800     0.800 peak   669 spectrum    1 weight  0.10000E+01 volume  0.41042E-02 ppm1      7.252 ppm2      2.230 CV     1
 ASSI {  670}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HB1 ))
      3.300     1.400     1.400 peak   670 spectrum    1 weight  0.10000E+01 volume  0.72157E-03 ppm1      7.253 ppm2      2.063 CV     1
 ASSI {  671}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
      3.700     1.700     1.700 peak   671 spectrum    1 weight  0.10000E+01 volume  0.91714E-03 ppm1      7.251 ppm2      1.818 CV     1
 ASSI {  673}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 44   and name HG1%)
      4.200     2.200     1.800 peak   673 spectrum    1 weight  0.10000E+01 volume  0.14220E-02 ppm1      7.252 ppm2      0.980 CV     1
 ASSI {  680}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      3.400     1.500     1.500 peak   680 spectrum    1 weight  0.10000E+01 volume  0.67378E-03 ppm1      7.000 ppm2      3.639 CV     1
 ASSI {  682}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 44   and name HG1%)
      3.300     1.400     1.400 peak   682 spectrum    1 weight  0.10000E+01 volume  0.20267E-02 ppm1      6.999 ppm2      0.975 CV     1
 ASSI {  686}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HG2 ))
      2.900     1.100     1.100 peak   686 spectrum    1 weight  0.10000E+01 volume  0.57542E-02 ppm1      6.998 ppm2      2.293 CV     1
 OR {  686}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HB1 ))
 ASSI {  692}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
      2.400     0.700     0.700 peak   692 spectrum    1 weight  0.10000E+01 volume  0.34277E-02 ppm1      8.113 ppm2      7.001 CV     1
 ASSI {  693}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      2.500     0.800     0.800 peak   693 spectrum    1 weight  0.10000E+01 volume  0.31599E-02 ppm1      8.120 ppm2      5.227 CV     1
 ASSI {  694}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      4.200     2.200     1.800 peak   694 spectrum    1 weight  0.10000E+01 volume  0.46114E-03 ppm1      8.120 ppm2      4.918 CV     1
 ASSI {  695}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HB1 ))
      2.800     1.000     1.000 peak   695 spectrum    1 weight  0.10000E+01 volume  0.83201E-02 ppm1      8.115 ppm2      2.295 CV     1
 OR {  695}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HG2 ))
 ASSI {  696}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
      2.700     0.900     0.900 peak   696 spectrum    1 weight  0.10000E+01 volume  0.90293E-03 ppm1      8.113 ppm2      2.185 CV     1
 ASSI {  701}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 46   and name HG1%)
      3.800     1.800     1.800 peak   701 spectrum    1 weight  0.10000E+01 volume  0.20321E-02 ppm1      8.117 ppm2      0.662 CV     1
 ASSI {  703}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 68   and name HG2%)
      4.200     2.200     1.800 peak   703 spectrum    1 weight  0.10000E+01 volume  0.12349E-02 ppm1      8.118 ppm2      1.066 CV     1
 ASSI {  709}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      3.500     1.500     1.500 peak   709 spectrum    1 weight  0.10000E+01 volume  0.95756E-03 ppm1      8.113 ppm2      4.070 CV     1
 ASSI {  713}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
      2.500     0.800     0.800 peak   713 spectrum    1 weight  0.10000E+01 volume  0.22122E-02 ppm1      7.871 ppm2      8.109 CV     1
 ASSI {  715}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HG1 ))
      4.700     2.700     1.300 peak   715 spectrum    1 weight  0.10000E+01 volume  0.39019E-03 ppm1      8.113 ppm2      2.470 CV     1
 ASSI {  723}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      4.200     2.200     1.800 peak   723 spectrum    1 weight  0.10000E+01 volume  0.22748E-03 ppm1      7.870 ppm2      4.062 CV     1
 ASSI {  730}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
      3.900     1.900     1.900 peak   730 spectrum    1 weight  0.10000E+01 volume  0.36047E-03 ppm1      7.875 ppm2      7.010 CV     1
 ASSI {  732}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      3.100     1.200     1.200 peak   732 spectrum    1 weight  0.10000E+01 volume  0.10776E-02 ppm1      7.785 ppm2      4.070 CV     1
 ASSI {  733}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      2.800     1.000     1.000 peak   733 spectrum    1 weight  0.10000E+01 volume  0.22110E-02 ppm1      7.784 ppm2      3.915 CV     1
 ASSI {  746}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 47   and name HG1%)
      4.700     2.800     1.300 peak   746 spectrum    1 weight  0.10000E+01 volume  0.39247E-03 ppm1      7.922 ppm2      0.898 CV     1
 ASSI {  752}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
      5.200     3.400     0.800 peak   752 spectrum    1 weight  0.10000E+01 volume  0.17835E-03 ppm1      7.923 ppm2      2.165 CV     1
 ASSI {  754}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      3.400     1.400     1.400 peak   754 spectrum    1 weight  0.10000E+01 volume  0.85327E-03 ppm1      7.922 ppm2      3.428 CV     1
 ASSI {  755}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      4.300     2.300     1.700 peak   755 spectrum    1 weight  0.10000E+01 volume  0.32086E-03 ppm1      7.924 ppm2      3.325 CV     1
 ASSI {  757}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      3.400     1.500     1.500 peak   757 spectrum    1 weight  0.10000E+01 volume  0.96767E-03 ppm1      7.922 ppm2      3.921 CV     1
 ASSI {  759}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
      2.500     0.800     0.800 peak   759 spectrum    1 weight  0.10000E+01 volume  0.35564E-02 ppm1      7.923 ppm2      8.816 CV     1
 ASSI {  763}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 14   and name HG2%)
      3.400     1.400     1.400 peak   763 spectrum    1 weight  0.10000E+01 volume  0.73047E-03 ppm1      8.813 ppm2      1.064 CV     1
 OR {  763}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 14   and name HG12))
 ASSI {  765}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 47   and name HG1%)
      4.300     2.300     1.700 peak   765 spectrum    1 weight  0.10000E+01 volume  0.53662E-03 ppm1      8.814 ppm2      0.889 CV     1
 ASSI {  769}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 48   and name HB  ))
      3.000     3.000     3.000 peak   769 spectrum    1 weight  0.10000E+01 volume  0.39503E-03 ppm1      8.814 ppm2      2.087 CV     1
 ASSI {  770}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      3.800     1.800     1.800 peak   770 spectrum    1 weight  0.10000E+01 volume  0.47666E-03 ppm1      8.815 ppm2      3.432 CV     1
 ASSI {  771}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      3.300     1.400     1.400 peak   771 spectrum    1 weight  0.10000E+01 volume  0.89891E-03 ppm1      8.815 ppm2      3.328 CV     1
 ASSI {  772}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      3.500     1.600     1.600 peak   772 spectrum    1 weight  0.10000E+01 volume  0.95812E-03 ppm1      8.816 ppm2      4.245 CV     1
 ASSI {  781}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 48   and name HN  ))
      4.200     2.200     1.800 peak   781 spectrum    1 weight  0.10000E+01 volume  0.30733E-03 ppm1      8.817 ppm2      7.776 CV     1
 ASSI {  782}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      4.300     2.400     1.700 peak   782 spectrum    1 weight  0.10000E+01 volume  0.27493E-03 ppm1      8.810 ppm2      7.702 CV     1
 ASSI {  783}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 47   and name HG1%)
      3.900     1.900     1.900 peak   783 spectrum    1 weight  0.10000E+01 volume  0.58678E-03 ppm1      8.856 ppm2      0.904 CV     1
 ASSI {  784}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HN  ))
      2.700     0.900     0.900 peak   784 spectrum    1 weight  0.10000E+01 volume  0.20564E-02 ppm1      7.703 ppm2      8.854 CV     1
 ASSI {  785}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
      3.700     1.700     1.700 peak   785 spectrum    1 weight  0.10000E+01 volume  0.85380E-03 ppm1      7.701 ppm2      7.964 CV     1
 ASSI {  786}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 53   and name HN  ))
      2.600     0.800     0.800 peak   786 spectrum    1 weight  0.10000E+01 volume  0.25228E-02 ppm1      7.702 ppm2      8.204 CV     1
 ASSI {  790}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      3.200     1.300     1.300 peak   790 spectrum    1 weight  0.10000E+01 volume  0.13591E-02 ppm1      8.857 ppm2      3.927 CV     1
 ASSI {  791}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HB1 ))
      3.500     1.500     1.500 peak   791 spectrum    1 weight  0.10000E+01 volume  0.25994E-02 ppm1      8.856 ppm2      2.457 CV     1
 ASSI {  795}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 50   and name HB% )
      2.700     0.900     0.900 peak   795 spectrum    1 weight  0.10000E+01 volume  0.25108E-02 ppm1      8.856 ppm2      1.501 CV     1
 ASSI {  799}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 48   and name HG1%)
      4.300     2.300     1.700 peak   799 spectrum    1 weight  0.10000E+01 volume  0.32361E-03 ppm1      7.699 ppm2      0.997 CV     1
 ASSI {  800}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 50   and name HB% )
      4.700     2.700     1.300 peak   800 spectrum    1 weight  0.10000E+01 volume  0.44716E-03 ppm1      7.699 ppm2      1.505 CV     1
 ASSI {  801}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HG1 ))
      3.700     1.700     1.700 peak   801 spectrum    1 weight  0.10000E+01 volume  0.22212E-02 ppm1      7.702 ppm2      2.445 CV     1
 ASSI {  803}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HG2 ))
      4.300     2.300     1.700 peak   803 spectrum    1 weight  0.10000E+01 volume  0.84053E-03 ppm1      7.702 ppm2      2.243 CV     1
 ASSI {  805}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HB2 ))
      2.600     0.800     0.800 peak   805 spectrum    1 weight  0.10000E+01 volume  0.24863E-02 ppm1      7.702 ppm2      2.043 CV     1
 ASSI {  806}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HG1 ))
      4.900     3.000     1.100 peak   806 spectrum    1 weight  0.10000E+01 volume  0.31886E-03 ppm1      7.700 ppm2      2.823 CV     1
 ASSI {  807}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      3.300     1.400     1.400 peak   807 spectrum    1 weight  0.10000E+01 volume  0.10291E-02 ppm1      7.703 ppm2      4.233 CV     1
 ASSI {  808}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      2.900     1.000     1.000 peak   808 spectrum    1 weight  0.10000E+01 volume  0.23280E-02 ppm1      7.703 ppm2      4.124 CV     1
 ASSI {  810}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      3.800     1.800     1.800 peak   810 spectrum    1 weight  0.10000E+01 volume  0.56184E-03 ppm1      7.702 ppm2      3.938 CV     1
 ASSI {  811}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 54   and name HD% )
      4.300     2.300     1.700 peak   811 spectrum    1 weight  0.10000E+01 volume  0.59609E-03 ppm1      7.701 ppm2      7.437 CV     1
 OR {  811}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 54   and name HZ  ))
 ASSI {  812}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HD2 ))
      5.000     3.100     1.000 peak   812 spectrum    1 weight  0.10000E+01 volume  0.41382E-03 ppm1      8.203 ppm2      2.709 CV     1
 ASSI {  814}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HG2 ))
      4.400     2.400     1.600 peak   814 spectrum    1 weight  0.10000E+01 volume  0.45468E-03 ppm1      8.206 ppm2      2.240 CV     1
 ASSI {  815}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HB2 ))
      3.500     1.600     1.600 peak   815 spectrum    1 weight  0.10000E+01 volume  0.14960E-02 ppm1      8.202 ppm2      2.045 CV     1
 ASSI {  816}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
      3.100     1.200     1.200 peak   816 spectrum    1 weight  0.10000E+01 volume  0.13888E-02 ppm1      8.211 ppm2      2.140 CV     1
 ASSI {  819}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 14   and name HD1%)
      4.200     2.200     1.800 peak   819 spectrum    1 weight  0.10000E+01 volume  0.59206E-03 ppm1      8.208 ppm2      0.739 CV     1
 ASSI {  826}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
      2.600     0.800     0.800 peak   826 spectrum    1 weight  0.10000E+01 volume  0.22471E-02 ppm1      8.139 ppm2      2.749 CV     1
 ASSI {  828}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 52   and name HB2 ))
      3.300     3.300     2.700 peak   828 spectrum    1 weight  0.10000E+01 volume  0.22103E-03 ppm1      8.137 ppm2      2.041 CV     1
 ASSI {  829}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HB1 ))
      3.000     1.100     1.100 peak   829 spectrum    1 weight  0.10000E+01 volume  0.85289E-03 ppm1      8.138 ppm2      1.618 CV     1
 ASSI {  831}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
      3.800     1.800     1.800 peak   831 spectrum    1 weight  0.10000E+01 volume  0.15114E-02 ppm1      8.138 ppm2      1.079 CV     1
 ASSI {  832}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 56   and name HG2%)
      5.300     3.500     0.700 peak   832 spectrum    1 weight  0.10000E+01 volume  0.39356E-03 ppm1      8.137 ppm2      0.972 CV     1
 ASSI {  833}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 56   and name HG1%)
      4.200     2.200     1.800 peak   833 spectrum    1 weight  0.10000E+01 volume  0.42631E-03 ppm1      8.144 ppm2      0.899 CV     1
 ASSI {  837}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      3.100     1.200     1.200 peak   837 spectrum    1 weight  0.10000E+01 volume  0.12126E-02 ppm1      8.141 ppm2      4.848 CV     1
 ASSI {  838}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      5.100     3.300     0.900 peak   838 spectrum    1 weight  0.10000E+01 volume  0.56328E-03 ppm1      8.139 ppm2      4.497 CV     1
 ASSI {  839}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      3.700     1.700     1.700 peak   839 spectrum    1 weight  0.10000E+01 volume  0.38192E-03 ppm1      8.135 ppm2      4.190 CV     1
 ASSI {  841}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 55   and name HN  ))
      2.500     0.800     0.800 peak   841 spectrum    1 weight  0.10000E+01 volume  0.35205E-02 ppm1      8.141 ppm2      7.823 CV     1
 ASSI {  845}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      3.400     1.400     1.400 peak   845 spectrum    1 weight  0.10000E+01 volume  0.87053E-03 ppm1      7.825 ppm2      4.852 CV     1
 ASSI {  847}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      4.100     2.100     1.900 peak   847 spectrum    1 weight  0.10000E+01 volume  0.29718E-03 ppm1      7.818 ppm2      3.917 CV     1
 ASSI {  848}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      3.600     1.700     1.700 peak   848 spectrum    1 weight  0.10000E+01 volume  0.59434E-03 ppm1      7.823 ppm2      4.119 CV     1
 ASSI {  851}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
      3.100     3.100     2.900 peak   851 spectrum    1 weight  0.10000E+01 volume  0.32067E-03 ppm1      7.830 ppm2      1.096 CV     1
 ASSI {  852}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      3.000     1.100     1.100 peak   852 spectrum    1 weight  0.10000E+01 volume  0.20517E-02 ppm1      7.830 ppm2      4.185 CV     1
 ASSI {  853}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      2.600     0.900     0.900 peak   853 spectrum    1 weight  0.10000E+01 volume  0.43639E-02 ppm1      7.829 ppm2      4.489 CV     1
 ASSI {  854}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      3.000     1.200     1.200 peak   854 spectrum    1 weight  0.10000E+01 volume  0.13878E-02 ppm1      7.830 ppm2      4.691 CV     1
 ASSI {  857}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 51   and name HG2 ))
      5.200     3.400     0.800 peak   857 spectrum    1 weight  0.10000E+01 volume  0.23730E-03 ppm1      7.826 ppm2      2.303 CV     1
 ASSI {  858}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 51   and name HB2 ))
      4.800     2.800     1.200 peak   858 spectrum    1 weight  0.10000E+01 volume  0.46757E-03 ppm1      7.824 ppm2      2.116 CV     1
 ASSI {  859}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 54   and name HB1 ))
      5.900     4.400     0.100 peak   859 spectrum    1 weight  0.10000E+01 volume  0.13366E-03 ppm1      7.822 ppm2      3.427 CV     1
 ASSI {  861}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HN  ))
      4.500     2.500     1.500 peak   861 spectrum    1 weight  0.10000E+01 volume  0.58735E-03 ppm1      8.182 ppm2      7.837 CV     1
 ASSI {  862}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 54   and name HD% )
      5.600     3.900     0.400 peak   862 spectrum    1 weight  0.10000E+01 volume  0.46754E-03 ppm1      8.179 ppm2      7.457 CV     1
 ASSI {  863}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 80   and name HE21))
      5.900     4.400     0.100 peak   863 spectrum    1 weight  0.10000E+01 volume  0.45044E-03 ppm1      8.184 ppm2      7.650 CV     1
 ASSI {  866}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HB  ))
      3.300     1.300     1.300 peak   866 spectrum    1 weight  0.10000E+01 volume  0.37187E-02 ppm1      8.182 ppm2      2.010 CV     1
 ASSI {  867}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HB2 ))
      2.200     0.600     0.600 peak   867 spectrum    1 weight  0.10000E+01 volume  0.54936E-02 ppm1      8.182 ppm2      1.686 CV     1
 OR {  867}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HB1 ))
 ASSI {  868}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HG1 ))
      3.300     1.400     1.400 peak   868 spectrum    1 weight  0.10000E+01 volume  0.10085E-02 ppm1      8.180 ppm2      1.370 CV     1
 OR {  868}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HG2 ))
 ASSI {  869}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 56   and name HG1%)
      2.800     1.000     1.000 peak   869 spectrum    1 weight  0.10000E+01 volume  0.22367E-02 ppm1      8.181 ppm2      0.934 CV     1
 ASSI {  871}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      2.200     0.600     0.600 peak   871 spectrum    1 weight  0.10000E+01 volume  0.53075E-02 ppm1      9.926 ppm2      4.717 CV     1
 ASSI {  872}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      5.500     3.800     0.500 peak   872 spectrum    1 weight  0.10000E+01 volume  0.23683E-03 ppm1      9.932 ppm2      4.184 CV     1
 ASSI {  874}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
      2.600     0.800     0.800 peak   874 spectrum    1 weight  0.10000E+01 volume  0.29496E-02 ppm1      9.926 ppm2      1.704 CV     1
 ASSI {  878}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 51   and name HB2 ))
      5.100     3.200     0.900 peak   878 spectrum    1 weight  0.10000E+01 volume  0.28717E-03 ppm1      9.929 ppm2      2.116 CV     1
 ASSI {  879}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 56   and name HG2%)
      5.400     3.600     0.600 peak   879 spectrum    1 weight  0.10000E+01 volume  0.22554E-03 ppm1      9.927 ppm2      0.978 CV     1
 ASSI {  880}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 47   and name HG1%)
      3.600     1.700     1.700 peak   880 spectrum    1 weight  0.10000E+01 volume  0.77788E-03 ppm1      9.926 ppm2      0.887 CV     1
 ASSI {  883}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      4.300     2.400     1.700 peak   883 spectrum    1 weight  0.10000E+01 volume  0.66885E-03 ppm1      9.927 ppm2      0.323 CV     1
 ASSI {  885}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HG2 ))
      4.600     2.600     1.400 peak   885 spectrum    1 weight  0.10000E+01 volume  0.35432E-03 ppm1      9.920 ppm2      1.366 CV     1
 ASSI {  888}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HN  ))
      4.100     2.100     1.900 peak   888 spectrum    1 weight  0.10000E+01 volume  0.34977E-03 ppm1      9.925 ppm2      8.182 CV     1
 ASSI {  889}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
      2.700     0.900     0.900 peak   889 spectrum    1 weight  0.10000E+01 volume  0.20968E-02 ppm1      8.638 ppm2      7.478 CV     1
 ASSI {  893}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HB1 ))
      2.500     0.800     0.800 peak   893 spectrum    1 weight  0.10000E+01 volume  0.36091E-02 ppm1      8.635 ppm2      2.587 CV     1
 ASSI {  899}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HB1 ))
      3.500     1.500     1.500 peak   899 spectrum    1 weight  0.10000E+01 volume  0.99605E-03 ppm1      8.637 ppm2      2.389 CV     1
 ASSI {  900}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HB2 ))
      3.400     1.400     1.400 peak   900 spectrum    1 weight  0.10000E+01 volume  0.11781E-02 ppm1      8.634 ppm2      1.941 CV     1
 ASSI {  901}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      2.900     1.000     1.000 peak   901 spectrum    1 weight  0.10000E+01 volume  0.22614E-02 ppm1      8.638 ppm2      4.319 CV     1
 ASSI {  903}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
      2.700     0.900     0.900 peak   903 spectrum    1 weight  0.10000E+01 volume  0.28310E-02 ppm1      8.637 ppm2      2.480 CV     1
 ASSI {  904}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 59   and name HB1 ))
      4.100     2.100     1.900 peak   904 spectrum    1 weight  0.10000E+01 volume  0.79827E-03 ppm1      8.636 ppm2      2.389 CV     1
 ASSI {  906}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 59   and name HB2 ))
      2.900     1.100     1.100 peak   906 spectrum    1 weight  0.10000E+01 volume  0.13801E-02 ppm1      8.637 ppm2      1.944 CV     1
 OR {  906}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 59   and name HG2 ))
 ASSI {  908}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      3.300     1.400     1.400 peak   908 spectrum    1 weight  0.10000E+01 volume  0.95747E-03 ppm1      7.474 ppm2      4.664 CV     1
 ASSI {  910}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
      3.400     1.400     1.400 peak   910 spectrum    1 weight  0.10000E+01 volume  0.12733E-02 ppm1      7.474 ppm2      2.476 CV     1
 ASSI {  911}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HB1 ))
      3.700     1.700     1.700 peak   911 spectrum    1 weight  0.10000E+01 volume  0.73890E-03 ppm1      7.474 ppm2      2.649 CV     1
 ASSI {  912}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 59   and name HB2 ))
      2.700     0.900     0.900 peak   912 spectrum    1 weight  0.10000E+01 volume  0.21800E-02 ppm1      7.475 ppm2      1.939 CV     1
 OR {  912}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 59   and name HG2 ))
 ASSI {  913}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 63   and name HG2%)
      5.200     3.400     0.800 peak   913 spectrum    1 weight  0.10000E+01 volume  0.60377E-03 ppm1      7.472 ppm2      0.822 CV     1
 ASSI {  914}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      4.100     2.100     1.900 peak   914 spectrum    1 weight  0.10000E+01 volume  0.61132E-03 ppm1      7.476 ppm2      0.324 CV     1
 ASSI {  915}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      5.000     3.100     1.000 peak   915 spectrum    1 weight  0.10000E+01 volume  0.37418E-03 ppm1      7.476 ppm2      3.204 CV     1
 ASSI {  916}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 59   and name HD2 ))
      4.200     2.200     1.800 peak   916 spectrum    1 weight  0.10000E+01 volume  0.42727E-03 ppm1      7.474 ppm2      3.821 CV     1
 ASSI {  918}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 63   and name HN  ))
      2.100     0.600     0.600 peak   918 spectrum    1 weight  0.10000E+01 volume  0.62418E-02 ppm1      7.473 ppm2      7.594 CV     1
 ASSI {  920}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      3.300     1.400     1.400 peak   920 spectrum    1 weight  0.10000E+01 volume  0.91033E-03 ppm1      7.599 ppm2      0.331 CV     1
 ASSI {  921}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 63   and name HG2%)
      3.500     1.500     1.500 peak   921 spectrum    1 weight  0.10000E+01 volume  0.29182E-02 ppm1      7.600 ppm2      0.816 CV     1
 ASSI {  923}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HB  ))
      2.400     0.700     0.700 peak   923 spectrum    1 weight  0.10000E+01 volume  0.34256E-02 ppm1      7.600 ppm2      1.904 CV     1
 ASSI {  926}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 60   and name HB2 ))
      5.600     3.900     0.400 peak   926 spectrum    1 weight  0.10000E+01 volume  0.21777E-03 ppm1      7.601 ppm2      2.578 CV     1
 OR {  926}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 60   and name HB1 ))
 ASSI {  931}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      4.200     2.200     1.800 peak   931 spectrum    1 weight  0.10000E+01 volume  0.30069E-03 ppm1      7.597 ppm2      4.658 CV     1
 ASSI {  932}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 64   and name HN  ))
      2.600     0.800     0.800 peak   932 spectrum    1 weight  0.10000E+01 volume  0.18317E-02 ppm1      7.601 ppm2      7.049 CV     1
 ASSI {  938}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 63   and name HG1%)
      3.200     1.200     1.200 peak   938 spectrum    1 weight  0.10000E+01 volume  0.12821E-02 ppm1      7.047 ppm2      0.788 CV     1
 OR {  938}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 63   and name HG2%)
 ASSI {  942}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
      3.200     1.300     1.300 peak   942 spectrum    1 weight  0.10000E+01 volume  0.20365E-02 ppm1      7.049 ppm2      1.755 CV     1
 ASSI {  944}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HN  ))
      2.700     0.900     0.900 peak   944 spectrum    1 weight  0.10000E+01 volume  0.26229E-02 ppm1      7.738 ppm2      7.266 CV     1
 ASSI {  958}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 66   and name HD1%)
      4.500     2.500     1.500 peak   958 spectrum    1 weight  0.10000E+01 volume  0.78363E-03 ppm1      7.740 ppm2      0.374 CV     1
 ASSI {  960}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      3.100     1.200     1.200 peak   960 spectrum    1 weight  0.10000E+01 volume  0.13179E-02 ppm1      7.740 ppm2      4.508 CV     1
 ASSI {  961}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HN  ))
      5.200     3.300     0.800 peak   961 spectrum    1 weight  0.10000E+01 volume  0.25295E-03 ppm1      8.156 ppm2      7.745 CV     1
 ASSI {  962}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      3.800     1.800     1.800 peak   962 spectrum    1 weight  0.10000E+01 volume  0.50934E-03 ppm1      7.740 ppm2      4.883 CV     1
 ASSI {  963}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      3.600     1.600     1.600 peak   963 spectrum    1 weight  0.10000E+01 volume  0.53503E-03 ppm1      7.742 ppm2      4.058 CV     1
 ASSI {  967}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HB1 ))
      3.600     1.700     1.700 peak   967 spectrum    1 weight  0.10000E+01 volume  0.20373E-02 ppm1      7.738 ppm2      2.238 CV     1
 ASSI {  968}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HG  ))
      2.600     0.800     0.800 peak   968 spectrum    1 weight  0.10000E+01 volume  0.30818E-02 ppm1      7.739 ppm2      1.783 CV     1
 ASSI {  969}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HB2 ))
      2.900     1.100     1.100 peak   969 spectrum    1 weight  0.10000E+01 volume  0.11233E-02 ppm1      7.741 ppm2      0.888 CV     1
 ASSI {  971}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 40   and name H3A ))
      5.100     3.300     0.900 peak   971 spectrum    1 weight  0.10000E+01 volume  0.16149E-03 ppm1      7.741 ppm2      6.012 CV     1
 ASSI {  973}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      2.300     0.700     0.700 peak   973 spectrum    1 weight  0.10000E+01 volume  0.44226E-02 ppm1      8.155 ppm2      4.506 CV     1
 ASSI {  974}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HE1 ))
      3.900     1.900     1.900 peak   974 spectrum    1 weight  0.10000E+01 volume  0.12617E-02 ppm1      8.157 ppm2      3.082 CV     1
 OR {  974}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HE2 ))
 ASSI {  975}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 71   and name HB2 ))
      3.300     1.300     1.300 peak   975 spectrum    1 weight  0.10000E+01 volume  0.98937E-03 ppm1      8.157 ppm2      2.900 CV     1
 ASSI {  979}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 66   and name HD1%)
      6.000     4.500     0.000 peak   979 spectrum    1 weight  0.10000E+01 volume  0.17361E-03 ppm1      8.153 ppm2      0.372 CV     1
 ASSI {  980}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HN  ))
      2.400     0.700     0.700 peak   980 spectrum    1 weight  0.10000E+01 volume  0.34746E-02 ppm1      8.551 ppm2      8.155 CV     1
 ASSI {  981}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      5.700     4.000     0.300 peak   981 spectrum    1 weight  0.10000E+01 volume  0.21691E-03 ppm1      8.551 ppm2      4.898 CV     1
 ASSI {  983}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HG1 ))
      4.200     2.200     1.800 peak   983 spectrum    1 weight  0.10000E+01 volume  0.19484E-03 ppm1      8.550 ppm2      5.387 CV     1
 ASSI {  990}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 72   and name HB% )
      4.500     2.500     1.500 peak   990 spectrum    1 weight  0.10000E+01 volume  0.28765E-03 ppm1      8.550 ppm2      1.582 CV     1
 ASSI {  996}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HN  ))
      2.600     0.800     0.800 peak   996 spectrum    1 weight  0.10000E+01 volume  0.16417E-02 ppm1      9.412 ppm2      8.123 CV     1
 ASSI {  997}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 71   and name HN  ))
      2.900     1.000     1.000 peak   997 spectrum    1 weight  0.10000E+01 volume  0.14998E-02 ppm1      9.413 ppm2      8.371 CV     1
 ASSI {  998}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      4.500     2.500     1.500 peak   998 spectrum    1 weight  0.10000E+01 volume  0.27555E-03 ppm1      9.411 ppm2      7.506 CV     1
 ASSI {  999}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      4.800     2.800     1.200 peak   999 spectrum    1 weight  0.10000E+01 volume  0.32436E-03 ppm1      9.413 ppm2      5.219 CV     1
 ASSI { 1000}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      4.500     2.500     1.500 peak  1000 spectrum    1 weight  0.10000E+01 volume  0.40346E-03 ppm1      9.413 ppm2      4.489 CV     1
 ASSI { 1006}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HB  ))
      3.200     1.200     1.200 peak  1006 spectrum    1 weight  0.10000E+01 volume  0.23990E-02 ppm1      9.412 ppm2      2.282 CV     1
 ASSI { 1007}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 67   and name HD2 ))
      3.900     3.900     2.100 peak  1007 spectrum    1 weight  0.10000E+01 volume  0.49205E-03 ppm1      9.414 ppm2      1.745 CV     1
 ASSI { 1014}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HB2 ))
      2.800     1.000     1.000 peak  1014 spectrum    1 weight  0.10000E+01 volume  0.14864E-02 ppm1      8.370 ppm2      2.901 CV     1
 ASSI { 1015}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HB1 ))
      3.400     1.500     1.500 peak  1015 spectrum    1 weight  0.10000E+01 volume  0.21802E-02 ppm1      8.371 ppm2      3.082 CV     1
 ASSI { 1017}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HA1 ))
      2.900     1.100     1.100 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.14943E-02 ppm1      8.371 ppm2      4.013 CV     1
 ASSI { 1019}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 68   and name HG1 ))
      3.600     1.600     1.600 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.55217E-03 ppm1      8.371 ppm2      5.379 CV     1
 ASSI { 1021}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 72   and name HB% )
      5.000     3.100     1.000 peak  1021 spectrum    1 weight  0.10000E+01 volume  0.41235E-03 ppm1      8.359 ppm2      1.618 CV     1
 ASSI { 1023}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 73   and name HN  ))
      2.700     0.900     0.900 peak  1023 spectrum    1 weight  0.10000E+01 volume  0.21999E-02 ppm1      8.218 ppm2      8.639 CV     1
 ASSI { 1024}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HN  ))
      2.600     0.800     0.800 peak  1024 spectrum    1 weight  0.10000E+01 volume  0.26093E-02 ppm1      8.218 ppm2      8.375 CV     1
 ASSI { 1025}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 70   and name HN  ))
      4.400     2.500     1.600 peak  1025 spectrum    1 weight  0.10000E+01 volume  0.28217E-03 ppm1      8.212 ppm2      9.415 CV     1
 ASSI { 1029}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 72   and name HB% )
      2.400     0.700     0.700 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.46757E-02 ppm1      8.221 ppm2      1.608 CV     1
 ASSI { 1031}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      3.500     1.500     1.500 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.10894E-02 ppm1      8.216 ppm2      4.492 CV     1
 ASSI { 1032}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      4.500     2.500     1.500 peak  1032 spectrum    1 weight  0.10000E+01 volume  0.65948E-03 ppm1      8.220 ppm2      3.683 CV     1
 ASSI { 1033}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      3.400     1.400     1.400 peak  1033 spectrum    1 weight  0.10000E+01 volume  0.71864E-03 ppm1      8.216 ppm2      3.386 CV     1
 ASSI { 1034}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HB1 ))
      3.200     1.300     1.300 peak  1034 spectrum    1 weight  0.10000E+01 volume  0.21927E-02 ppm1      8.218 ppm2      3.084 CV     1
 ASSI { 1039}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 70   and name HN  ))
      4.300     2.300     1.700 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.37452E-03 ppm1      8.643 ppm2      9.391 CV     1
 ASSI { 1042}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 74   and name HN  ))
      2.900     1.100     1.100 peak  1042 spectrum    1 weight  0.10000E+01 volume  0.21067E-02 ppm1      8.642 ppm2      8.009 CV     1
 ASSI { 1043}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HB  ))
      2.400     0.700     0.700 peak  1043 spectrum    1 weight  0.10000E+01 volume  0.47079E-02 ppm1      8.642 ppm2      4.182 CV     1
 ASSI { 1044}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      3.400     1.400     1.400 peak  1044 spectrum    1 weight  0.10000E+01 volume  0.85140E-03 ppm1      8.643 ppm2      4.100 CV     1
 ASSI { 1045}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      2.200     0.600     0.600 peak  1045 spectrum    1 weight  0.10000E+01 volume  0.96377E-02 ppm1      8.642 ppm2      3.678 CV     1
 ASSI { 1048}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 70   and name HA2 ))
      3.300     1.400     1.400 peak  1048 spectrum    1 weight  0.10000E+01 volume  0.84091E-03 ppm1      8.642 ppm2      3.774 CV     1
 ASSI { 1049}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 72   and name HB% )
      2.900     1.000     1.000 peak  1049 spectrum    1 weight  0.10000E+01 volume  0.27994E-02 ppm1      8.641 ppm2      1.602 CV     1
 ASSI { 1055}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
      4.400     2.400     1.600 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.52485E-03 ppm1      8.641 ppm2      0.548 CV     1
 OR { 1055}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 7    and name HD1%)
 ASSI { 1060}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      3.200     1.300     1.300 peak  1060 spectrum    1 weight  0.10000E+01 volume  0.16991E-02 ppm1      8.006 ppm2      3.681 CV     1
 ASSI { 1061}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 75   and name HB2 ))
      5.000     3.100     1.000 peak  1061 spectrum    1 weight  0.10000E+01 volume  0.27149E-03 ppm1      8.006 ppm2      3.110 CV     1
 OR { 1061}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 75   and name HB1 ))
 ASSI { 1062}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HB1 ))
      3.000     1.100     1.100 peak  1062 spectrum    1 weight  0.10000E+01 volume  0.35841E-02 ppm1      8.006 ppm2      1.974 CV     1
 ASSI { 1063}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HB2 ))
      2.300     0.700     0.700 peak  1063 spectrum    1 weight  0.10000E+01 volume  0.37558E-02 ppm1      8.006 ppm2      1.906 CV     1
 ASSI { 1064}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HG1 ))
      3.700     1.700     1.700 peak  1064 spectrum    1 weight  0.10000E+01 volume  0.73387E-03 ppm1      8.005 ppm2      1.467 CV     1
 OR { 1064}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HG2 ))
 ASSI { 1065}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
      4.300     2.300     1.700 peak  1065 spectrum    1 weight  0.10000E+01 volume  0.56418E-03 ppm1      8.006 ppm2      0.816 CV     1
 OR { 1065}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
 ASSI { 1069}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 75   and name HD% )
      4.400     2.400     1.600 peak  1069 spectrum    1 weight  0.10000E+01 volume  0.93970E-03 ppm1      7.935 ppm2      6.827 CV     1
 ASSI { 1070}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
      2.600     0.900     0.900 peak  1070 spectrum    1 weight  0.10000E+01 volume  0.24025E-02 ppm1      7.931 ppm2      8.535 CV     1
 ASSI { 1071}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      3.500     1.500     1.500 peak  1071 spectrum    1 weight  0.10000E+01 volume  0.12979E-02 ppm1      7.931 ppm2      4.115 CV     1
 ASSI { 1073}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      4.100     2.100     1.900 peak  1073 spectrum    1 weight  0.10000E+01 volume  0.30388E-03 ppm1      7.937 ppm2      3.676 CV     1
 ASSI { 1074}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HB2 ))
      2.300     0.600     0.600 peak  1074 spectrum    1 weight  0.10000E+01 volume  0.61066E-02 ppm1      7.931 ppm2      3.119 CV     1
 OR { 1074}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HB1 ))
 ASSI { 1075}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HB1 ))
      3.100     1.200     1.200 peak  1075 spectrum    1 weight  0.10000E+01 volume  0.23840E-02 ppm1      7.930 ppm2      1.978 CV     1
 ASSI { 1076}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HB2 ))
      3.100     1.200     1.200 peak  1076 spectrum    1 weight  0.10000E+01 volume  0.13404E-02 ppm1      7.931 ppm2      1.902 CV     1
 ASSI { 1080}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 66   and name HD1%)
      5.000     3.200     1.000 peak  1080 spectrum    1 weight  0.10000E+01 volume  0.32074E-03 ppm1      7.934 ppm2      0.382 CV     1
 ASSI { 1082}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 75   and name HD% )
      3.600     1.700     1.700 peak  1082 spectrum    1 weight  0.10000E+01 volume  0.71371E-03 ppm1      8.541 ppm2      6.816 CV     1
 ASSI { 1084}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HG11))
      2.100     0.500     0.500 peak  1084 spectrum    1 weight  0.10000E+01 volume  0.34736E-02 ppm1      8.535 ppm2      1.986 CV     1
 ASSI { 1086}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HB1 ))
      2.400     0.700     0.700 peak  1086 spectrum    1 weight  0.10000E+01 volume  0.25025E-02 ppm1      8.538 ppm2      3.123 CV     1
 OR { 1086}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HB2 ))
 ASSI { 1088}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HG12))
      3.500     1.600     1.600 peak  1088 spectrum    1 weight  0.10000E+01 volume  0.18541E-02 ppm1      8.538 ppm2      0.918 CV     1
 ASSI { 1089}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 76   and name HD1%)
      3.500     1.500     1.500 peak  1089 spectrum    1 weight  0.10000E+01 volume  0.19557E-02 ppm1      8.536 ppm2      0.626 CV     1
 ASSI { 1090}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
      3.600     1.600     1.600 peak  1090 spectrum    1 weight  0.10000E+01 volume  0.20256E-02 ppm1      8.531 ppm2      0.527 CV     1
 ASSI { 1092}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      3.500     1.600     1.600 peak  1092 spectrum    1 weight  0.10000E+01 volume  0.59705E-03 ppm1      8.492 ppm2      3.504 CV     1
 ASSI { 1093}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HB1 ))
      3.000     1.100     1.100 peak  1093 spectrum    1 weight  0.10000E+01 volume  0.62765E-02 ppm1      8.494 ppm2      1.764 CV     1
 ASSI { 1096}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
      2.500     0.800     0.800 peak  1096 spectrum    1 weight  0.10000E+01 volume  0.29799E-02 ppm1      8.253 ppm2      8.504 CV     1
 ASSI { 1097}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      2.600     0.800     0.800 peak  1097 spectrum    1 weight  0.10000E+01 volume  0.24700E-02 ppm1      8.252 ppm2      7.713 CV     1
 ASSI { 1099}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 80   and name HN  ))
      2.300     0.700     0.700 peak  1099 spectrum    1 weight  0.10000E+01 volume  0.49888E-02 ppm1      7.710 ppm2      7.863 CV     1
 ASSI { 1100}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      3.200     1.300     1.300 peak  1100 spectrum    1 weight  0.10000E+01 volume  0.10338E-02 ppm1      8.254 ppm2      3.909 CV     1
 ASSI { 1102}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      3.600     1.600     1.600 peak  1102 spectrum    1 weight  0.10000E+01 volume  0.60579E-03 ppm1      8.249 ppm2      4.218 CV     1
 ASSI { 1103}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HB1 ))
      3.300     1.300     1.300 peak  1103 spectrum    1 weight  0.10000E+01 volume  0.21562E-02 ppm1      8.253 ppm2      1.757 CV     1
 ASSI { 1104}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HB2 ))
      2.600     0.900     0.900 peak  1104 spectrum    1 weight  0.10000E+01 volume  0.22418E-02 ppm1      8.253 ppm2      1.674 CV     1
 ASSI { 1106}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HB1 ))
      2.700     0.900     0.900 peak  1106 spectrum    1 weight  0.10000E+01 volume  0.37889E-02 ppm1      8.253 ppm2      2.533 CV     1
 ASSI { 1107}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
      4.300     2.300     1.700 peak  1107 spectrum    1 weight  0.10000E+01 volume  0.45574E-03 ppm1      8.253 ppm2      0.522 CV     1
 ASSI { 1108}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
      4.300     2.300     1.700 peak  1108 spectrum    1 weight  0.10000E+01 volume  0.63585E-03 ppm1      8.255 ppm2      0.819 CV     1
 ASSI { 1109}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      3.100     1.200     1.200 peak  1109 spectrum    1 weight  0.10000E+01 volume  0.15561E-02 ppm1      7.713 ppm2      4.627 CV     1
 ASSI { 1112}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      3.200     1.300     1.300 peak  1112 spectrum    1 weight  0.10000E+01 volume  0.94632E-03 ppm1      7.713 ppm2      3.493 CV     1
 ASSI { 1114}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HB2 ))
      2.400     0.700     0.700 peak  1114 spectrum    1 weight  0.10000E+01 volume  0.30689E-02 ppm1      7.712 ppm2      2.510 CV     1
 ASSI { 1116}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 56   and name HG2%)
      4.100     2.100     1.900 peak  1116 spectrum    1 weight  0.10000E+01 volume  0.57786E-03 ppm1      7.710 ppm2      0.947 CV     1
 OR { 1116}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 56   and name HG1%)
 ASSI { 1122}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HG2 ))
      2.600     0.800     0.800 peak  1122 spectrum    1 weight  0.10000E+01 volume  0.21075E-02 ppm1      7.863 ppm2      2.590 CV     1
 ASSI { 1123}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HG1 ))
      3.100     1.200     1.200 peak  1123 spectrum    1 weight  0.10000E+01 volume  0.35573E-02 ppm1      7.863 ppm2      2.705 CV     1
 ASSI { 1124}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HB2 ))
      3.200     1.300     1.300 peak  1124 spectrum    1 weight  0.10000E+01 volume  0.27297E-02 ppm1      7.863 ppm2      2.144 CV     1
 ASSI { 1125}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HB1 ))
      2.700     0.900     0.900 peak  1125 spectrum    1 weight  0.10000E+01 volume  0.24513E-02 ppm1      7.862 ppm2      2.335 CV     1
 ASSI { 1126}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      3.600     1.600     1.600 peak  1126 spectrum    1 weight  0.10000E+01 volume  0.76668E-03 ppm1      7.864 ppm2      4.623 CV     1
 ASSI { 1127}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      4.100     2.100     1.900 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.49280E-03 ppm1      7.863 ppm2      3.896 CV     1
 ASSI { 1128}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      4.100     2.100     1.900 peak  1128 spectrum    1 weight  0.10000E+01 volume  0.47581E-03 ppm1      7.864 ppm2      3.500 CV     1
 ASSI { 1129}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 56   and name HG2%)
      3.600     1.600     1.600 peak  1129 spectrum    1 weight  0.10000E+01 volume  0.82143E-03 ppm1      7.860 ppm2      0.945 CV     1
 OR { 1129}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 56   and name HG1%)
 ASSI { 1130}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
      4.100     2.100     1.900 peak  1130 spectrum    1 weight  0.10000E+01 volume  0.53556E-03 ppm1      7.861 ppm2      0.523 CV     1
 ASSI { 1134}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 55   and name HB1 ))
      3.600     3.600     2.400 peak  1134 spectrum    1 weight  0.10000E+01 volume  0.15396E-03 ppm1      8.299 ppm2      3.253 CV     1
 ASSI { 1135}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HG1 ))
      4.200     2.200     1.800 peak  1135 spectrum    1 weight  0.10000E+01 volume  0.33840E-03 ppm1      8.305 ppm2      2.697 CV     1
 ASSI { 1136}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HG2 ))
      4.900     3.000     1.100 peak  1136 spectrum    1 weight  0.10000E+01 volume  0.41248E-03 ppm1      8.309 ppm2      2.585 CV     1
 ASSI { 1138}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HB1 ))
      3.700     1.700     1.700 peak  1138 spectrum    1 weight  0.10000E+01 volume  0.18587E-02 ppm1      8.304 ppm2      2.335 CV     1
 ASSI { 1140}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 56   and name HG2%)
      4.600     2.700     1.400 peak  1140 spectrum    1 weight  0.10000E+01 volume  0.54739E-03 ppm1      8.304 ppm2      0.962 CV     1
 ASSI { 1143}
   (( segid "    " and resid 16   and name HD21))
   (( segid "    " and resid 16   and name HD22))
      1.700     0.300     0.500 peak  1143 spectrum    1 weight  0.10000E+01 volume  0.14410E-01 ppm1      6.855 ppm2      8.060 CV     1
 ASSI { 1145}
   (( segid "    " and resid 16   and name HD22))
   (  segid "    " and resid 15   and name HG1%)
      4.300     2.300     1.700 peak  1145 spectrum    1 weight  0.10000E+01 volume  0.10699E-02 ppm1      8.060 ppm2      0.996 CV     1
 ASSI { 1146}
   (( segid "    " and resid 16   and name HD21))
   (  segid "    " and resid 15   and name HG1%)
      3.600     1.600     1.600 peak  1146 spectrum    1 weight  0.10000E+01 volume  0.87053E-03 ppm1      6.853 ppm2      0.992 CV     1
 ASSI { 1148}
   (( segid "    " and resid 16   and name HD21))
   (( segid "    " and resid 16   and name HB1 ))
      3.800     1.800     1.800 peak  1148 spectrum    1 weight  0.10000E+01 volume  0.13993E-02 ppm1      6.853 ppm2      3.107 CV     1
 ASSI { 1152}
   (( segid "    " and resid 16   and name HD22))
   (( segid "    " and resid 16   and name HA  ))
      3.800     1.800     1.800 peak  1152 spectrum    1 weight  0.10000E+01 volume  0.13902E-02 ppm1      8.058 ppm2      4.679 CV     1
 ASSI { 1153}
   (( segid "    " and resid 16   and name HD21))
   (( segid "    " and resid 16   and name HA  ))
      3.200     1.300     1.300 peak  1153 spectrum    1 weight  0.10000E+01 volume  0.92591E-03 ppm1      6.853 ppm2      4.682 CV     1
 ASSI { 1156}
   (( segid "    " and resid 16   and name HD22))
   (( segid "    " and resid 22   and name HB1 ))
      5.400     3.700     0.600 peak  1156 spectrum    1 weight  0.10000E+01 volume  0.27339E-03 ppm1      8.056 ppm2      2.352 CV     1
 ASSI { 1157}
   (( segid "    " and resid 65   and name HD21))
   (( segid "    " and resid 65   and name HD22))
      1.700     0.400     0.500 peak  1157 spectrum    1 weight  0.10000E+01 volume  0.13838E-01 ppm1      7.006 ppm2      7.731 CV     1
 ASSI { 1158}
   (( segid "    " and resid 65   and name HD21))
   (( segid "    " and resid 65   and name HB2 ))
      2.700     0.900     0.900 peak  1158 spectrum    1 weight  0.10000E+01 volume  0.13471E-02 ppm1      7.006 ppm2      2.729 CV     1
 ASSI { 1159}
   (( segid "    " and resid 65   and name HD21))
   (( segid "    " and resid 65   and name HB1 ))
      4.100     2.100     1.900 peak  1159 spectrum    1 weight  0.10000E+01 volume  0.67625E-03 ppm1      7.007 ppm2      3.047 CV     1
 ASSI { 1160}
   (( segid "    " and resid 65   and name HD22))
   (( segid "    " and resid 65   and name HB1 ))
      4.500     2.500     1.500 peak  1160 spectrum    1 weight  0.10000E+01 volume  0.10997E-02 ppm1      7.729 ppm2      3.051 CV     1
 ASSI { 1161}
   (( segid "    " and resid 65   and name HD22))
   (( segid "    " and resid 65   and name HB2 ))
      3.700     1.700     1.700 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.24919E-02 ppm1      7.729 ppm2      2.727 CV     1
 ASSI { 1163}
   (( segid "    " and resid 65   and name HD21))
   (( segid "    " and resid 62   and name HA  ))
      4.100     2.100     1.900 peak  1163 spectrum    1 weight  0.10000E+01 volume  0.23300E-03 ppm1      7.009 ppm2      4.667 CV     1
 ASSI { 1164}
   (( segid "    " and resid 4    and name HE22))
   (( segid "    " and resid 4    and name HE21))
      1.500     0.300     0.700 peak  1164 spectrum    1 weight  0.10000E+01 volume  0.21699E-01 ppm1      7.509 ppm2      6.832 CV     1
 ASSI { 1167}
   (( segid "    " and resid 4    and name HE22))
   (( segid "    " and resid 4    and name HG1 ))
      3.900     1.900     1.900 peak  1167 spectrum    1 weight  0.10000E+01 volume  0.13307E-02 ppm1      7.509 ppm2      2.226 CV     1
 OR { 1167}
   (( segid "    " and resid 4    and name HE22))
   (( segid "    " and resid 4    and name HB1 ))
 ASSI { 1168}
   (( segid "    " and resid 4    and name HE21))
   (( segid "    " and resid 4    and name HG1 ))
      3.800     1.900     1.900 peak  1168 spectrum    1 weight  0.10000E+01 volume  0.70924E-03 ppm1      6.833 ppm2      2.222 CV     1
 OR { 1168}
   (( segid "    " and resid 4    and name HE21))
   (( segid "    " and resid 4    and name HB1 ))
 ASSI { 1169}
   (( segid "    " and resid 4    and name HE22))
   (( segid "    " and resid 4    and name HG2 ))
      4.100     2.100     1.900 peak  1169 spectrum    1 weight  0.10000E+01 volume  0.90006E-03 ppm1      7.513 ppm2      2.165 CV     1
 OR { 1169}
   (( segid "    " and resid 4    and name HE22))
   (( segid "    " and resid 4    and name HB1 ))
 ASSI { 1172}
   (( segid "    " and resid 4    and name HE21))
   (  segid "    " and resid 73   and name HG2%)
      5.400     3.600     0.600 peak  1172 spectrum    1 weight  0.10000E+01 volume  0.25531E-03 ppm1      6.832 ppm2      1.104 CV     1
 ASSI { 1173}
   (( segid "    " and resid 4    and name HE21))
   (  segid "    " and resid 8    and name HG2%)
      4.000     2.000     2.000 peak  1173 spectrum    1 weight  0.10000E+01 volume  0.15395E-03 ppm1      6.835 ppm2      1.024 CV     1
 ASSI { 1175}
   (( segid "    " and resid 4    and name HE21))
   (  segid "    " and resid 28   and name HD1%)
      3.800     1.800     1.800 peak  1175 spectrum    1 weight  0.10000E+01 volume  0.56250E-03 ppm1      6.831 ppm2      0.816 CV     1
 ASSI { 1176}
   (( segid "    " and resid 4    and name HE22))
   (  segid "    " and resid 73   and name HG2%)
      6.000     4.600     0.000 peak  1176 spectrum    1 weight  0.10000E+01 volume  0.27865E-03 ppm1      7.509 ppm2      1.123 CV     1
 ASSI { 1182}
   (( segid "    " and resid 80   and name HE22))
   (( segid "    " and resid 77   and name HA  ))
      3.000     1.100     1.100 peak  1182 spectrum    1 weight  0.10000E+01 volume  0.16688E-02 ppm1      7.714 ppm2      3.891 CV     1
 ASSI { 1183}
   (( segid "    " and resid 80   and name HE21))
   (( segid "    " and resid 80   and name HA  ))
      5.200     3.400     0.800 peak  1183 spectrum    1 weight  0.10000E+01 volume  0.27044E-03 ppm1      7.639 ppm2      4.423 CV     1
 ASSI { 1184}
   (( segid "    " and resid 80   and name HE22))
   (( segid "    " and resid 80   and name HA  ))
      3.300     3.300     2.700 peak  1184 spectrum    1 weight  0.10000E+01 volume  0.22487E-03 ppm1      7.714 ppm2      4.411 CV     1
 ASSI { 1185}
   (( segid "    " and resid 80   and name HE21))
   (( segid "    " and resid 54   and name HB1 ))
      3.900     1.900     1.900 peak  1185 spectrum    1 weight  0.10000E+01 volume  0.30423E-03 ppm1      7.645 ppm2      3.426 CV     1
 ASSI { 1186}
   (( segid "    " and resid 80   and name HE22))
   (( segid "    " and resid 54   and name HB1 ))
      3.800     1.800     1.800 peak  1186 spectrum    1 weight  0.10000E+01 volume  0.13609E-03 ppm1      7.715 ppm2      3.418 CV     1
 ASSI { 1187}
   (( segid "    " and resid 80   and name HE22))
   (( segid "    " and resid 80   and name HG1 ))
      3.400     1.500     1.500 peak  1187 spectrum    1 weight  0.10000E+01 volume  0.22202E-02 ppm1      7.714 ppm2      2.706 CV     1
 ASSI { 1188}
   (( segid "    " and resid 80   and name HE21))
   (( segid "    " and resid 80   and name HG1 ))
      3.500     1.500     1.500 peak  1188 spectrum    1 weight  0.10000E+01 volume  0.10290E-02 ppm1      7.643 ppm2      2.706 CV     1
 ASSI { 1189}
   (( segid "    " and resid 80   and name HE22))
   (( segid "    " and resid 80   and name HG2 ))
      3.500     1.500     1.500 peak  1189 spectrum    1 weight  0.10000E+01 volume  0.14733E-02 ppm1      7.714 ppm2      2.593 CV     1
 ASSI { 1190}
   (( segid "    " and resid 80   and name HE21))
   (( segid "    " and resid 80   and name HG2 ))
      3.300     1.400     1.400 peak  1190 spectrum    1 weight  0.10000E+01 volume  0.56843E-03 ppm1      7.646 ppm2      2.590 CV     1
 ASSI { 1191}
   (( segid "    " and resid 80   and name HE21))
   (( segid "    " and resid 80   and name HB2 ))
      4.400     2.500     1.600 peak  1191 spectrum    1 weight  0.10000E+01 volume  0.13646E-03 ppm1      7.643 ppm2      2.161 CV     1
 ASSI { 1192}
   (( segid "    " and resid 80   and name HE22))
   (( segid "    " and resid 80   and name HB2 ))
      4.800     2.800     1.200 peak  1192 spectrum    1 weight  0.10000E+01 volume  0.41800E-03 ppm1      7.715 ppm2      2.146 CV     1
 ASSI { 1193}
   (( segid "    " and resid 80   and name HE22))
   (( segid "    " and resid 80   and name HB1 ))
      4.700     2.800     1.300 peak  1193 spectrum    1 weight  0.10000E+01 volume  0.41195E-03 ppm1      7.714 ppm2      2.330 CV     1
 ASSI { 1194}
   (( segid "    " and resid 80   and name HE21))
   (( segid "    " and resid 80   and name HB1 ))
      3.100     1.200     1.200 peak  1194 spectrum    1 weight  0.10000E+01 volume  0.26001E-03 ppm1      7.639 ppm2      2.331 CV     1
 ASSI { 1195}
   (( segid "    " and resid 80   and name HE22))
   (  segid "    " and resid 2    and name HB% )
      2.800     1.000     1.000 peak  1195 spectrum    1 weight  0.10000E+01 volume  0.11056E-02 ppm1      7.716 ppm2      1.527 CV     1
 ASSI { 1196}
   (( segid "    " and resid 80   and name HE21))
   (  segid "    " and resid 2    and name HB% )
      4.100     2.100     1.900 peak  1196 spectrum    1 weight  0.10000E+01 volume  0.12135E-02 ppm1      7.641 ppm2      1.525 CV     1
 ASSI { 1199}
   (( segid "    " and resid 80   and name HE21))
   (  segid "    " and resid 77   and name HD2%)
      3.500     1.500     1.500 peak  1199 spectrum    1 weight  0.10000E+01 volume  0.12875E-02 ppm1      7.641 ppm2      0.822 CV     1
 ASSI { 1200}
   (( segid "    " and resid 80   and name HE22))
   (  segid "    " and resid 77   and name HD2%)
      2.900     1.100     1.100 peak  1200 spectrum    1 weight  0.10000E+01 volume  0.13234E-02 ppm1      7.716 ppm2      0.826 CV     1
 ASSI { 1203}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HD2 ))
      5.600     3.900     0.400 peak  1203 spectrum    1 weight  0.10000E+01 volume  0.24327E-03 ppm1      8.641 ppm2      3.779 CV     1
 OR { 1203}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HD1 ))
 ASSI { 1204}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
      5.200     3.400     0.800 peak  1204 spectrum    1 weight  0.10000E+01 volume  0.32654E-03 ppm1      8.635 ppm2      2.495 CV     1
 ASSI { 1205}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 63   and name HG1%)
      6.000     4.800     0.000 peak  1205 spectrum    1 weight  0.10000E+01 volume  0.14024E-03 ppm1      8.640 ppm2      0.805 CV     1
 OR { 1205}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 63   and name HG2%)
 ASSI { 1210}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      4.900     3.000     1.100 peak  1210 spectrum    1 weight  0.10000E+01 volume  0.19627E-03 ppm1      6.466 ppm2      8.686 CV     1
 ASSI { 1213}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 22   and name HD2 ))
      5.500     3.700     0.500 peak  1213 spectrum    1 weight  0.10000E+01 volume  0.23671E-03 ppm1      6.466 ppm2      3.691 CV     1
 ASSI { 1215}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      5.400     3.600     0.600 peak  1215 spectrum    1 weight  0.10000E+01 volume  0.24119E-03 ppm1      6.465 ppm2      4.836 CV     1
 ASSI { 1218}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HG1 ))
      5.800     4.300     0.200 peak  1218 spectrum    1 weight  0.10000E+01 volume  0.81481E-04 ppm1      8.125 ppm2      5.403 CV     1
 ASSI { 1220}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 70   and name HA2 ))
      2.900     2.900     3.100 peak  1220 spectrum    1 weight  0.10000E+01 volume  0.56269E-03 ppm1      8.001 ppm2      3.783 CV     1
 ASSI { 1223}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 56   and name HB  ))
      5.800     4.200     0.200 peak  1223 spectrum    1 weight  0.10000E+01 volume  0.14911E-03 ppm1      7.860 ppm2      2.024 CV     1
 ASSI { 1224}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 6    and name HB1 ))
      5.100     3.200     0.900 peak  1224 spectrum    1 weight  0.10000E+01 volume  0.17417E-03 ppm1      8.395 ppm2      2.497 CV     1
 ASSI { 1228}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 51   and name HB1 ))
      4.400     2.500     1.600 peak  1228 spectrum    1 weight  0.10000E+01 volume  0.19105E-03 ppm1      7.825 ppm2      2.443 CV     1
 ASSI { 1229}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
      4.200     2.200     1.800 peak  1229 spectrum    1 weight  0.10000E+01 volume  0.16822E-02 ppm1      8.518 ppm2      3.122 CV     1
 ASSI { 1231}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HG1 ))
      6.000     4.900     0.000 peak  1231 spectrum    1 weight  0.10000E+01 volume  0.20217E-03 ppm1      8.686 ppm2      2.423 CV     1
 ASSI { 1239}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 75   and name HN  ))
      3.600     1.600     1.600 peak  1239 spectrum    1 weight  0.10000E+01 volume  0.65786E-03 ppm1      8.643 ppm2      7.916 CV     1
 ASSI { 1241}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
      5.800     4.300     0.200 peak  1241 spectrum    1 weight  0.10000E+01 volume  0.16546E-03 ppm1      7.490 ppm2      2.109 CV     1
 ASSI { 1242}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      4.500     2.500     1.500 peak  1242 spectrum    1 weight  0.10000E+01 volume  0.41479E-03 ppm1      7.257 ppm2      4.099 CV     1
 ASSI { 1248}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HB1 ))
      4.600     2.600     1.400 peak  1248 spectrum    1 weight  0.10000E+01 volume  0.49532E-03 ppm1      7.825 ppm2      3.441 CV     1
 ASSI {    1}
   (( segid "    " and resid 40   and name H3A ))
   (( segid "    " and resid 40   and name H4B ))
      3.300     1.400     1.400 peak     1 spectrum    1 weight  0.10000E+01 volume  0.73390E-03 ppm1      6.010 ppm2      1.580 CV     1
 ASSI {    3}
   (( segid "    " and resid 40   and name H3A ))
   (( segid "    " and resid 40   and name H4A ))
      3.400     1.500     1.500 peak     3 spectrum    1 weight  0.10000E+01 volume  0.58666E-03 ppm1      6.015 ppm2      1.767 CV     1
 ASSI {    5}
   (( segid "    " and resid 40   and name H3A ))
   (( segid "    " and resid 40   and name H5B ))
      3.000     1.100     1.100 peak     5 spectrum    1 weight  0.10000E+01 volume  0.72488E-03 ppm1      6.016 ppm2      0.793 CV     1
 ASSI {    6}
   (( segid "    " and resid 40   and name H3A ))
   (( segid "    " and resid 40   and name H5A ))
      3.500     1.500     1.500 peak     6 spectrum    1 weight  0.10000E+01 volume  0.81516E-03 ppm1      6.014 ppm2      1.020 CV     1
 ASSI {    7}
   (( segid "    " and resid 40   and name H32A))
   (  segid "    " and resid 40   and name H30%)
      2.700     0.900     0.900 peak     7 spectrum    1 weight  0.10000E+01 volume  0.72466E-02 ppm1      4.042 ppm2      0.865 CV     1
 OR {    7}
   (( segid "    " and resid 40   and name H32A))
   (  segid "    " and resid 40   and name H31%)
 ASSI {    8}
   (( segid "    " and resid 40   and name H28A))
   (  segid "    " and resid 40   and name H31%)
      2.500     0.800     0.800 peak     8 spectrum    1 weight  0.10000E+01 volume  0.11133E-01 ppm1      3.739 ppm2      0.875 CV     1
 OR {    8}
   (( segid "    " and resid 40   and name H28A))
   (  segid "    " and resid 40   and name H30%)
 ASSI {   12}
   (( segid "    " and resid 40   and name H2A ))
   (( segid "    " and resid 40   and name H4A ))
      3.000     1.200     1.200 peak    12 spectrum    1 weight  0.10000E+01 volume  0.11026E-02 ppm1      6.628 ppm2      1.774 CV     1
 ASSI {   13}
   (  segid "    " and resid 40   and name H30%)
   (( segid "    " and resid 40   and name H41A))
      3.800     1.800     1.800 peak    13 spectrum    1 weight  0.10000E+01 volume  0.17373E-02 ppm1      0.867 ppm2      8.244 CV     1
 OR {   13}
   (  segid "    " and resid 40   and name H31%)
   (( segid "    " and resid 40   and name H41A))
 ASSI {   14}
   (  segid "    " and resid 40   and name H30%)
   (( segid "    " and resid 40   and name H36A))
      2.700     0.900     0.900 peak    14 spectrum    1 weight  0.10000E+01 volume  0.49186E-02 ppm1      0.866 ppm2      8.066 CV     1
 OR {   14}
   (  segid "    " and resid 40   and name H31%)
   (( segid "    " and resid 40   and name H36A))
 ASSI {   18}
   (( segid "    " and resid 40   and name H36A))
   (( segid "    " and resid 40   and name H32A))
      2.000     0.400     0.600 peak    18 spectrum    1 weight  0.10000E+01 volume  0.15701E-01 ppm1      8.070 ppm2      4.042 CV     1
 ASSI {   23}
   (( segid "    " and resid 40   and name H36A))
   (( segid "    " and resid 40   and name H28A))
      5.000     3.100     1.000 peak    23 spectrum    1 weight  0.10000E+01 volume  0.71143E-03 ppm1      8.070 ppm2      3.734 CV     1
 ASSI {   24}
   (( segid "    " and resid 40   and name H28A))
   (( segid "    " and resid 40   and name H32A))
      2.900     1.000     1.000 peak    24 spectrum    1 weight  0.10000E+01 volume  0.30148E-02 ppm1      3.743 ppm2      4.042 CV     1
 ASSI {   25}
   (( segid "    " and resid 40   and name H37B))
   (( segid "    " and resid 40   and name H32A))
      4.600     2.600     1.400 peak    25 spectrum    1 weight  0.10000E+01 volume  0.93084E-03 ppm1      3.603 ppm2      4.043 CV     1
 ASSI {   26}
   (( segid "    " and resid 40   and name H37A))
   (( segid "    " and resid 40   and name H32A))
      4.700     2.700     1.300 peak    26 spectrum    1 weight  0.10000E+01 volume  0.94963E-03 ppm1      3.386 ppm2      4.042 CV     1
 ASSI {   27}
   (( segid "    " and resid 40   and name H28B))
   (( segid "    " and resid 40   and name H32A))
      3.000     1.000     0.900 peak    27 spectrum    1 weight  0.10000E+01 volume  0.19445E-02 ppm1      3.300 ppm2      4.042 CV     1
 ASSI {   31}
   (( segid "    " and resid 40   and name H37A))
   (( segid "    " and resid 40   and name H38A))
      2.700     0.900     0.900 peak    31 spectrum    1 weight  0.10000E+01 volume  0.36834E-02 ppm1      3.389 ppm2      2.459 CV     1
 OR {   31}
   (( segid "    " and resid 40   and name H37A))
   (( segid "    " and resid 40   and name H38B))
 ASSI {   32}
   (( segid "    " and resid 40   and name H37B))
   (( segid "    " and resid 40   and name H38B))
      2.600     0.800     0.800 peak    32 spectrum    1 weight  0.10000E+01 volume  0.36547E-02 ppm1      3.602 ppm2      2.460 CV     1
 OR {   32}
   (( segid "    " and resid 40   and name H37B))
   (( segid "    " and resid 40   and name H38A))
 ASSI {   38}
   (( segid "    " and resid 40   and name H37B))
   (( segid "    " and resid 40   and name H36A))
      2.500     0.800     0.800 peak    38 spectrum    1 weight  0.10000E+01 volume  0.34683E-02 ppm1      3.604 ppm2      8.068 CV     1
 ASSI {   39}
   (( segid "    " and resid 40   and name H37A))
   (( segid "    " and resid 40   and name H36A))
      2.700     0.900     0.900 peak    39 spectrum    1 weight  0.10000E+01 volume  0.49657E-02 ppm1      3.384 ppm2      8.066 CV     1
 ASSI {   40}
   (( segid "    " and resid 40   and name H38B))
   (( segid "    " and resid 40   and name H41A))
      2.000     0.500     0.500 peak    40 spectrum    1 weight  0.10000E+01 volume  0.10714E-01 ppm1      2.460 ppm2      8.243 CV     1
 OR {   40}
   (( segid "    " and resid 40   and name H38A))
   (( segid "    " and resid 40   and name H41A))
 ASSI {   41}
   (( segid "    " and resid 40   and name H38B))
   (( segid "    " and resid 40   and name H36A))
      2.900     1.000     1.000 peak    41 spectrum    1 weight  0.10000E+01 volume  0.30920E-02 ppm1      2.461 ppm2      8.066 CV     1
 OR {   41}
   (( segid "    " and resid 40   and name H38A))
   (( segid "    " and resid 40   and name H36A))
 ASSI {   42}
   (( segid "    " and resid 40   and name H43B))
   (( segid "    " and resid 40   and name H41A))
      2.900     1.000     1.000 peak    42 spectrum    1 weight  0.10000E+01 volume  0.14659E-02 ppm1      2.948 ppm2      8.245 CV     1
 ASSI {   43}
   (( segid "    " and resid 40   and name H43A))
   (( segid "    " and resid 40   and name H41A))
      3.600     1.600     1.600 peak    43 spectrum    1 weight  0.10000E+01 volume  0.12217E-02 ppm1      2.838 ppm2      8.244 CV     1
 ASSI {   44}
   (( segid "    " and resid 40   and name H42B))
   (( segid "    " and resid 40   and name H41A))
      2.300     0.700     0.700 peak    44 spectrum    1 weight  0.10000E+01 volume  0.41248E-02 ppm1      3.286 ppm2      8.244 CV     1
 ASSI {   45}
   (( segid "    " and resid 40   and name H42A))
   (( segid "    " and resid 40   and name H41A))
      2.700     0.900     0.900 peak    45 spectrum    1 weight  0.10000E+01 volume  0.38488E-02 ppm1      3.104 ppm2      8.243 CV     1
 ASSI {   46}
   (( segid "    " and resid 40   and name H43B))
   (( segid "    " and resid 40   and name H42A))
      3.000     1.100     1.100 peak    46 spectrum    1 weight  0.10000E+01 volume  0.29923E-02 ppm1      2.948 ppm2      3.113 CV     1
 ASSI {   47}
   (( segid "    " and resid 40   and name H43A))
   (( segid "    " and resid 40   and name H42A))
      2.500     0.800     0.800 peak    47 spectrum    1 weight  0.10000E+01 volume  0.21606E-02 ppm1      2.840 ppm2      3.111 CV     1
 ASSI {   48}
   (( segid "    " and resid 40   and name H43B))
   (( segid "    " and resid 40   and name H42B))
      2.800     1.000     1.000 peak    48 spectrum    1 weight  0.10000E+01 volume  0.15936E-02 ppm1      2.947 ppm2      3.295 CV     1
 ASSI {   49}
   (( segid "    " and resid 40   and name H37B))
   (( segid "    " and resid 40   and name H41A))
      4.600     2.700     1.400 peak    49 spectrum    1 weight  0.10000E+01 volume  0.88917E-03 ppm1      3.594 ppm2      8.245 CV     1
 ASSI {   50}
   (( segid "    " and resid 40   and name H37A))
   (( segid "    " and resid 40   and name H41A))
      4.700     2.700     1.300 peak    50 spectrum    1 weight  0.10000E+01 volume  0.77061E-03 ppm1      3.392 ppm2      8.246 CV     1
 ASSI {   51}
   (( segid "    " and resid 40   and name H38B))
   (  segid "    " and resid 40   and name H30%)
      4.000     2.000     2.000 peak    51 spectrum    1 weight  0.10000E+01 volume  0.13563E-02 ppm1      2.464 ppm2      0.862 CV     1
 OR {   51}
   (( segid "    " and resid 40   and name H38A))
   (  segid "    " and resid 40   and name H30%)
 ASSI {   52}
   (( segid "    " and resid 40   and name H2A ))
   (( segid "    " and resid 40   and name H5B ))
      4.800     2.900     1.200 peak    52 spectrum    1 weight  0.10000E+01 volume  0.61229E-03 ppm1      6.630 ppm2      0.779 CV     1
 ASSI {   53}
   (( segid "    " and resid 40   and name H2A ))
   (( segid "    " and resid 40   and name H4B ))
      3.200     1.300     1.300 peak    53 spectrum    1 weight  0.10000E+01 volume  0.71417E-03 ppm1      6.631 ppm2      1.588 CV     1
 ASSI {   54}
   (( segid "    " and resid 40   and name H42B))
   (( segid "    " and resid 40   and name H36A))
      4.600     2.700     1.400 peak    54 spectrum    1 weight  0.10000E+01 volume  0.94298E-03 ppm1      3.295 ppm2      8.066 CV     1
 ASSI {   55}
   (( segid "    " and resid 40   and name H28B))
   (  segid "    " and resid 40   and name H30%)
      2.300     0.700     0.700 peak    55 spectrum    1 weight  0.10000E+01 volume  0.11185E-01 ppm1      3.299 ppm2      0.874 CV     1
 OR {   55}
   (( segid "    " and resid 40   and name H28B))
   (  segid "    " and resid 40   and name H31%)
 ASSI {   56}
   (( segid "    " and resid 40   and name H43B))
   (  segid "    " and resid 40   and name H30%)
      3.800     1.800     1.800 peak    56 spectrum    1 weight  0.10000E+01 volume  0.97379E-03 ppm1      2.948 ppm2      0.862 CV     1
 ASSI {   57}
   (( segid "    " and resid 40   and name H43A))
   (  segid "    " and resid 40   and name H30%)
      2.900     1.100     1.100 peak    57 spectrum    1 weight  0.10000E+01 volume  0.15188E-02 ppm1      2.840 ppm2      0.862 CV     1
 ASSI {    3}
   (  segid "    " and resid 43   and name HE% )
   (( segid "    " and resid 40   and name H3A ))
      3.200     1.300     1.300 peak     3 spectrum    1 weight  0.10000E+01 volume  0.88214E-03 ppm1      1.418 ppm2      6.021 CV     1
 ASSI {    8}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 40   and name H3A ))
      4.200     2.200     1.800 peak     8 spectrum    1 weight  0.10000E+01 volume  0.57411E-03 ppm1      2.239 ppm2      6.023 CV     1
 ASSI {    9}
   (( segid "    " and resid 43   and name HB1 ))
   (( segid "    " and resid 40   and name H3A ))
      5.600     3.900     0.400 peak     9 spectrum    1 weight  0.10000E+01 volume  0.24065E-03 ppm1      2.061 ppm2      6.021 CV     1
 ASSI {   10}
   (( segid "    " and resid 63   and name HB  ))
   (( segid "    " and resid 40   and name H3A ))
      6.000     4.600     0.000 peak    10 spectrum    1 weight  0.10000E+01 volume  0.21274E-03 ppm1      1.906 ppm2      6.023 CV     1
 ASSI {   12}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 40   and name H3A ))
      3.300     1.400     1.400 peak    12 spectrum    1 weight  0.10000E+01 volume  0.48181E-03 ppm1      0.894 ppm2      6.022 CV     1
 ASSI {   13}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 40   and name H3A ))
      3.000     3.000     3.000 peak    13 spectrum    1 weight  0.10000E+01 volume  0.44507E-03 ppm1      0.634 ppm2      6.022 CV     1
 ASSI {   24}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 40   and name H2A ))
      4.900     2.900     1.100 peak    24 spectrum    1 weight  0.10000E+01 volume  0.21757E-03 ppm1      2.242 ppm2      6.636 CV     1
 ASSI {   25}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 40   and name H2A ))
      3.900     1.900     1.900 peak    25 spectrum    1 weight  0.10000E+01 volume  0.33694E-03 ppm1      0.912 ppm2      6.636 CV     1
 ASSI {   28}
   (  segid "    " and resid 50   and name HB% )
   (  segid "    " and resid 40   and name H8% )
      2.400     0.700     0.700 peak    28 spectrum    1 weight  0.10000E+01 volume  0.45908E-02 ppm1      1.498 ppm2      0.629 CV     1
 ASSI {   29}
   (( segid "    " and resid 76   and name HG11))
   (  segid "    " and resid 40   and name H8% )
      3.700     1.700     1.700 peak    29 spectrum    1 weight  0.10000E+01 volume  0.82084E-03 ppm1      1.995 ppm2      0.627 CV     1
 ASSI {   31}
   (( segid "    " and resid 32   and name HZ  ))
   (  segid "    " and resid 40   and name H8% )
      3.800     1.800     1.800 peak    31 spectrum    1 weight  0.10000E+01 volume  0.53746E-03 ppm1      6.869 ppm2      0.630 CV     1
 ASSI {   32}
   (  segid "    " and resid 32   and name HE% )
   (  segid "    " and resid 40   and name H8% )
      4.500     2.500     1.500 peak    32 spectrum    1 weight  0.10000E+01 volume  0.52379E-03 ppm1      6.994 ppm2      0.629 CV     1
 ASSI {   33}
   (( segid "    " and resid 54   and name HZ  ))
   (  segid "    " and resid 40   and name H8% )
      5.100     3.200     0.900 peak    33 spectrum    1 weight  0.10000E+01 volume  0.34952E-03 ppm1      7.471 ppm2      0.628 CV     1
 OR {   33}
   (  segid "    " and resid 54   and name HD% )
   (  segid "    " and resid 40   and name H8% )
 ASSI {   34}
   (  segid "    " and resid 32   and name HE% )
   (( segid "    " and resid 40   and name H4B ))
      4.900     3.000     1.100 peak    34 spectrum    1 weight  0.10000E+01 volume  0.22725E-03 ppm1      6.998 ppm2      1.571 CV     1
 ASSI {   35}
   (  segid "    " and resid 32   and name HE% )
   (( segid "    " and resid 40   and name H4A ))
      3.800     1.800     1.800 peak    35 spectrum    1 weight  0.10000E+01 volume  0.21740E-03 ppm1      6.995 ppm2      1.746 CV     1
 ASSI {   36}
   (  segid "    " and resid 32   and name HD% )
   (( segid "    " and resid 40   and name H4B ))
      4.700     2.700     1.300 peak    36 spectrum    1 weight  0.10000E+01 volume  0.24278E-03 ppm1      7.191 ppm2      1.571 CV     1
 ASSI {   37}
   (  segid "    " and resid 54   and name HE% )
   (  segid "    " and resid 40   and name H8% )
      4.500     2.600     1.500 peak    37 spectrum    1 weight  0.10000E+01 volume  0.23058E-03 ppm1      7.141 ppm2      0.629 CV     1
 ASSI {   39}
   (( segid "    " and resid 32   and name HZ  ))
   (( segid "    " and resid 40   and name H7A ))
      3.900     1.900     1.900 peak    39 spectrum    1 weight  0.10000E+01 volume  0.36756E-03 ppm1      6.873 ppm2      0.961 CV     1
 OR {   39}
   (( segid "    " and resid 32   and name HZ  ))
   (( segid "    " and resid 40   and name H7B ))
 ASSI {   47}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 40   and name H8% )
      4.300     2.300     1.700 peak    47 spectrum    1 weight  0.10000E+01 volume  0.67453E-03 ppm1      4.106 ppm2      0.626 CV     1
 ASSI {   50}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 40   and name H3A ))
      4.500     2.500     1.500 peak    50 spectrum    1 weight  0.10000E+01 volume  0.65015E-03 ppm1      1.810 ppm2      6.023 CV     1
 ASSI {   51}
   (( segid "    " and resid 43   and name HB1 ))
   (( segid "    " and resid 40   and name H2A ))
      5.400     3.600     0.600 peak    51 spectrum    1 weight  0.10000E+01 volume  0.15953E-03 ppm1      2.063 ppm2      6.641 CV     1
 ASSI {   54}
   (( segid "    " and resid 40   and name H42A))
   (  segid "    " and resid 40   and name H30%)
      3.600     1.600     1.600 peak    54 spectrum    1 weight  0.10000E+01 volume  0.90777E-03 ppm1      3.107 ppm2      0.860 CV     1

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ALA   1           HT1      ALA   1 -13.738   4.402   4.428
    2    H2   ALA   1           HT2      ALA   1 -12.788   3.240   3.716
    3    H3   ALA   1           HT3      ALA   1 -14.487   3.043   3.736
    4    HA   ALA   1           HA       ALA   1 -13.728   3.742   1.550
    5    HB1  ALA   1           HB1      ALA   1 -15.126   5.728   1.303
    6    HB2  ALA   1           HB2      ALA   1 -15.149   5.942   3.055
    7    HB3  ALA   1           HB3      ALA   1 -15.918   4.528   2.327
    8    H    ALA   2           HN       ALA   2 -12.479   5.123   0.276
    9    HA   ALA   2           HA       ALA   2 -11.084   7.352   1.424
   10    HB1  ALA   2           HB1      ALA   2  -8.845   6.445   1.022
   11    HB2  ALA   2           HB2      ALA   2  -9.548   4.890   0.579
   12    HB3  ALA   2           HB3      ALA   2  -9.707   5.491   2.230
   13    H    THR   3           HN       THR   3  -9.388   8.069  -0.365
   14    HA   THR   3           HA       THR   3 -10.576   7.571  -2.986
   15    HB   THR   3           HB       THR   3  -9.713   9.906  -3.510
   16    HG1  THR   3           HG1      THR   3  -9.561  11.184  -1.452
   17   HG21  THR   3          HG21      THR   3 -11.809   9.689  -1.339
   18   HG22  THR   3          HG22      THR   3 -12.100   9.489  -3.069
   19   HG23  THR   3          HG23      THR   3 -11.602  11.058  -2.434
   20    H    GLN   4           HN       GLN   4  -8.603   8.628  -4.644
   21    HA   GLN   4           HA       GLN   4  -6.434   6.857  -4.411
   22    HB2  GLN   4           HB2      GLN   4  -7.236   7.635  -6.538
   23    HB3  GLN   4           HB1      GLN   4  -7.031   9.311  -6.075
   24    HG2  GLN   4           HG2      GLN   4  -4.552   8.790  -5.904
   25    HG3  GLN   4           HG1      GLN   4  -4.931   7.262  -6.698
   26   HE21  GLN   4          HE21      GLN   4  -4.871  10.712  -7.016
   27   HE22  GLN   4          HE22      GLN   4  -4.953  10.740  -8.746
   28    H    GLU   5           HN       GLU   5  -7.161  10.172  -3.696
   29    HA   GLU   5           HA       GLU   5  -4.586  10.993  -2.945
   30    HB2  GLU   5           HB2      GLU   5  -7.327  12.098  -2.504
   31    HB3  GLU   5           HB1      GLU   5  -5.973  12.789  -1.622
   32    HG2  GLU   5           HG2      GLU   5  -6.563  13.993  -3.723
   33    HG3  GLU   5           HG1      GLU   5  -4.892  13.454  -3.637
   34    H    GLU   6           HN       GLU   6  -6.984   9.211  -1.251
   35    HA   GLU   6           HA       GLU   6  -5.503   9.514   1.203
   36    HB2  GLU   6           HB2      GLU   6  -7.944   7.929   0.510
   37    HB3  GLU   6           HB1      GLU   6  -7.066   7.612   1.999
   38    HG2  GLU   6           HG2      GLU   6  -8.283  10.228   1.178
   39    HG3  GLU   6           HG1      GLU   6  -8.943   9.089   2.356
   40    H    ILE   7           HN       ILE   7  -5.833   7.178  -1.350
   41    HA   ILE   7           HA       ILE   7  -4.363   5.144  -0.024
   42    HB   ILE   7           HB       ILE   7  -4.975   5.564  -2.971
   43   HG12  ILE   7          HG12      ILE   7  -6.179   3.686  -0.929
   44   HG13  ILE   7          HG11      ILE   7  -6.893   5.212  -1.425
   45   HG21  ILE   7          HG21      ILE   7  -2.969   4.162  -2.722
   46   HG22  ILE   7          HG22      ILE   7  -4.339   3.205  -3.283
   47   HG23  ILE   7          HG23      ILE   7  -3.835   3.114  -1.596
   48   HD11  ILE   7          HD11      ILE   7  -7.116   4.356  -3.697
   49   HD12  ILE   7          HD12      ILE   7  -7.953   3.339  -2.524
   50   HD13  ILE   7          HD13      ILE   7  -6.402   2.826  -3.184
   51    H    VAL   8           HN       VAL   8  -3.435   7.196  -2.767
   52    HA   VAL   8           HA       VAL   8  -0.721   6.491  -2.839
   53    HB   VAL   8           HB       VAL   8  -2.101   9.044  -3.730
   54   HG11  VAL   8          HG11      VAL   8   0.308   9.360  -3.631
   55   HG12  VAL   8          HG12      VAL   8  -0.274   9.313  -5.296
   56   HG13  VAL   8          HG13      VAL   8   0.548   7.906  -4.613
   57   HG21  VAL   8          HG21      VAL   8  -2.177   7.975  -5.925
   58   HG22  VAL   8          HG22      VAL   8  -3.083   7.072  -4.711
   59   HG23  VAL   8          HG23      VAL   8  -1.492   6.507  -5.227
   60    H    ALA   9           HN       ALA   9  -2.087   9.582  -1.710
   61    HA   ALA   9           HA       ALA   9   0.266  10.487  -0.481
   62    HB1  ALA   9           HB1      ALA   9  -1.126  12.238   0.481
   63    HB2  ALA   9           HB2      ALA   9  -2.570  11.284   0.103
   64    HB3  ALA   9           HB3      ALA   9  -1.587  11.935  -1.204
   65    H    GLY  10           HN       GLY  10  -2.494   8.717   0.809
   66    HA2  GLY  10           HA2      GLY  10  -1.822   8.961   3.562
   67    HA3  GLY  10           HA1      GLY  10  -2.940   7.816   2.852
   68    H    LEU  11           HN       LEU  11  -1.210   6.391   1.140
   69    HA   LEU  11           HA       LEU  11  -0.088   4.559   2.852
   70    HB2  LEU  11           HB2      LEU  11  -0.001   5.056  -0.015
   71    HB3  LEU  11           HB1      LEU  11   1.323   4.089   0.594
   72    HG   LEU  11           HG       LEU  11  -1.628   3.509   0.959
   73   HD11  LEU  11          HD11      LEU  11  -1.242   1.640  -0.555
   74   HD12  LEU  11          HD12      LEU  11   0.430   2.163  -0.775
   75   HD13  LEU  11          HD13      LEU  11  -0.895   3.180  -1.343
   76   HD21  LEU  11          HD21      LEU  11  -0.869   1.373   1.897
   77   HD22  LEU  11          HD22      LEU  11  -0.268   2.749   2.832
   78   HD23  LEU  11          HD23      LEU  11   0.805   1.905   1.732
   79    H    ALA  12           HN       ALA  12   1.347   7.341   1.384
   80    HA   ALA  12           HA       ALA  12   3.991   6.578   1.989
   81    HB1  ALA  12           HB1      ALA  12   3.450   8.251   0.347
   82    HB2  ALA  12           HB2      ALA  12   4.608   8.805   1.563
   83    HB3  ALA  12           HB3      ALA  12   2.919   9.346   1.638
   84    H    GLU  13           HN       GLU  13   1.501   8.079   3.845
   85    HA   GLU  13           HA       GLU  13   3.106   8.958   6.015
   86    HB2  GLU  13           HB2      GLU  13   0.207   8.092   5.935
   87    HB3  GLU  13           HB1      GLU  13   0.976   8.857   7.314
   88    HG2  GLU  13           HG2      GLU  13   1.294  10.887   6.072
   89    HG3  GLU  13           HG1      GLU  13   0.703  10.120   4.596
   90    H    ILE  14           HN       ILE  14   1.176   6.071   5.442
   91    HA   ILE  14           HA       ILE  14   1.937   4.635   7.752
   92    HB   ILE  14           HB       ILE  14   0.794   3.735   5.094
   93   HG12  ILE  14          HG12      ILE  14  -1.165   3.044   6.515
   94   HG13  ILE  14          HG11      ILE  14  -0.354   3.743   7.901
   95   HG21  ILE  14          HG21      ILE  14   2.202   1.912   5.794
   96   HG22  ILE  14          HG22      ILE  14   0.504   1.468   5.971
   97   HG23  ILE  14          HG23      ILE  14   1.454   1.912   7.391
   98   HD11  ILE  14          HD11      ILE  14  -0.499   5.945   6.853
   99   HD12  ILE  14          HD12      ILE  14  -2.085   5.199   7.046
  100   HD13  ILE  14          HD13      ILE  14  -1.309   5.224   5.463
  101    H    VAL  15           HN       VAL  15   3.218   4.550   4.452
  102    HA   VAL  15           HA       VAL  15   5.192   2.647   4.869
  103    HB   VAL  15           HB       VAL  15   4.955   4.849   2.802
  104   HG11  VAL  15          HG11      VAL  15   6.741   3.750   1.552
  105   HG12  VAL  15          HG12      VAL  15   7.026   2.659   2.919
  106   HG13  VAL  15          HG13      VAL  15   7.307   4.395   3.090
  107   HG21  VAL  15          HG21      VAL  15   3.337   3.040   2.664
  108   HG22  VAL  15          HG22      VAL  15   4.643   1.855   2.654
  109   HG23  VAL  15          HG23      VAL  15   4.459   2.978   1.305
  110    H    ASN  16           HN       ASN  16   5.120   6.014   5.585
  111    HA   ASN  16           HA       ASN  16   7.931   6.304   6.036
  112    HB2  ASN  16           HB2      ASN  16   6.262   8.182   5.573
  113    HB3  ASN  16           HB1      ASN  16   5.776   8.023   7.258
  114   HD21  ASN  16          HD21      ASN  16   8.249   8.926   5.089
  115   HD22  ASN  16          HD22      ASN  16   9.234   9.824   6.174
  116    H    GLU  17           HN       GLU  17   5.234   5.218   7.887
  117    HA   GLU  17           HA       GLU  17   6.546   5.334  10.442
  118    HB2  GLU  17           HB2      GLU  17   4.122   3.728   9.607
  119    HB3  GLU  17           HB1      GLU  17   4.636   4.059  11.252
  120    HG2  GLU  17           HG2      GLU  17   3.785   6.093   9.248
  121    HG3  GLU  17           HG1      GLU  17   2.735   5.445  10.514
  122    H    ILE  18           HN       ILE  18   5.538   2.784   8.233
  123    HA   ILE  18           HA       ILE  18   6.624   0.572   9.568
  124    HB   ILE  18           HB       ILE  18   6.216   0.901   6.589
  125   HG12  ILE  18          HG12      ILE  18   4.149   1.382   7.806
  126   HG13  ILE  18          HG11      ILE  18   4.029  -0.152   6.960
  127   HG21  ILE  18          HG21      ILE  18   7.605  -1.029   7.096
  128   HG22  ILE  18          HG22      ILE  18   6.009  -1.551   6.550
  129   HG23  ILE  18          HG23      ILE  18   6.414  -1.607   8.263
  130   HD11  ILE  18          HD11      ILE  18   4.544   0.203   9.905
  131   HD12  ILE  18          HD12      ILE  18   4.406  -1.340   9.064
  132   HD13  ILE  18          HD13      ILE  18   3.010  -0.262   9.166
  133    H    ALA  19           HN       ALA  19   7.981   2.456   6.862
  134    HA   ALA  19           HA       ALA  19  10.567   1.158   7.442
  135    HB1  ALA  19           HB1      ALA  19  11.168   1.396   5.096
  136    HB2  ALA  19           HB2      ALA  19   9.622   2.180   4.767
  137    HB3  ALA  19           HB3      ALA  19   9.663   0.487   5.261
  138    H    GLY  20           HN       GLY  20   9.133   4.106   6.147
  139    HA2  GLY  20           HA2      GLY  20   9.883   6.209   7.222
  140    HA3  GLY  20           HA1      GLY  20  11.506   5.531   7.199
  141    H    ILE  21           HN       ILE  21   9.270   5.196   4.563
  142    HA   ILE  21           HA       ILE  21  11.091   6.582   2.793
  143    HB   ILE  21           HB       ILE  21   8.446   5.167   2.294
  144   HG12  ILE  21          HG12      ILE  21  10.155   3.598   3.025
  145   HG13  ILE  21          HG11      ILE  21   9.785   3.345   1.325
  146   HG21  ILE  21          HG21      ILE  21  10.424   6.165   0.264
  147   HG22  ILE  21          HG22      ILE  21   8.812   6.814   0.569
  148   HG23  ILE  21          HG23      ILE  21   8.998   5.185  -0.082
  149   HD11  ILE  21          HD11      ILE  21  12.193   4.783   2.422
  150   HD12  ILE  21          HD12      ILE  21  11.831   4.538   0.713
  151   HD13  ILE  21          HD13      ILE  21  12.165   3.151   1.751
  152    HA   PRO  22           HA       PRO  22   9.404  10.678   3.225
  153    HB2  PRO  22           HB2      PRO  22   9.370  10.480   0.237
  154    HB3  PRO  22           HB1      PRO  22   9.882  11.825   1.268
  155    HG2  PRO  22           HG2      PRO  22  11.679  10.182   0.211
  156    HG3  PRO  22           HG1      PRO  22  11.869  10.801   1.861
  157    HD2  PRO  22           HD2      PRO  22  11.168   8.077   0.938
  158    HD3  PRO  22           HD1      PRO  22  11.922   8.594   2.457
  159    H    VAL  23           HN       VAL  23   7.536  11.681   3.305
  160    HA   VAL  23           HA       VAL  23   5.162  10.107   3.098
  161    HB   VAL  23           HB       VAL  23   4.014  12.065   4.093
  162   HG11  VAL  23          HG11      VAL  23   5.101  10.421   5.525
  163   HG12  VAL  23          HG12      VAL  23   5.222  12.040   6.214
  164   HG13  VAL  23          HG13      VAL  23   6.616  11.316   5.412
  165   HG21  VAL  23          HG21      VAL  23   6.734  13.315   3.853
  166   HG22  VAL  23          HG22      VAL  23   5.367  14.032   4.724
  167   HG23  VAL  23          HG23      VAL  23   5.297  13.798   2.966
  168    H    GLU  24           HN       GLU  24   6.462  11.202   0.593
  169    HA   GLU  24           HA       GLU  24   3.933  11.754  -0.792
  170    HB2  GLU  24           HB2      GLU  24   4.908  13.575  -2.055
  171    HB3  GLU  24           HB1      GLU  24   5.001  13.946  -0.336
  172    HG2  GLU  24           HG2      GLU  24   7.328  13.349  -0.275
  173    HG3  GLU  24           HG1      GLU  24   7.268  12.787  -1.941
  174    H    ASP  25           HN       ASP  25   6.447   9.770  -0.457
  175    HA   ASP  25           HA       ASP  25   7.402   9.884  -3.198
  176    HB2  ASP  25           HB2      ASP  25   9.015  10.020  -1.437
  177    HB3  ASP  25           HB1      ASP  25   8.494   8.505  -0.741
  178    H    VAL  26           HN       VAL  26   4.998   8.378  -1.651
  179    HA   VAL  26           HA       VAL  26   5.392   5.827  -2.972
  180    HB   VAL  26           HB       VAL  26   3.392   6.652  -0.808
  181   HG11  VAL  26          HG11      VAL  26   4.020   3.924  -1.920
  182   HG12  VAL  26          HG12      VAL  26   2.545   4.842  -2.220
  183   HG13  VAL  26          HG13      VAL  26   2.916   4.273  -0.591
  184   HG21  VAL  26          HG21      VAL  26   5.670   6.608   0.033
  185   HG22  VAL  26          HG22      VAL  26   5.891   4.981  -0.609
  186   HG23  VAL  26          HG23      VAL  26   4.734   5.266   0.690
  187    H    LYS  27           HN       LYS  27   5.127   7.001  -4.862
  188    HA   LYS  27           HA       LYS  27   2.578   8.243  -5.506
  189    HB2  LYS  27           HB2      LYS  27   5.142   7.946  -7.070
  190    HB3  LYS  27           HB1      LYS  27   3.686   8.764  -7.609
  191    HG2  LYS  27           HG2      LYS  27   5.115   9.596  -5.127
  192    HG3  LYS  27           HG1      LYS  27   5.561  10.201  -6.723
  193    HD2  LYS  27           HD2      LYS  27   3.238  10.985  -7.033
  194    HD3  LYS  27           HD1      LYS  27   2.866  10.456  -5.391
  195    HE2  LYS  27           HE2      LYS  27   3.338  12.862  -5.506
  196    HE3  LYS  27           HE1      LYS  27   4.500  12.005  -4.495
  197    HZ1  LYS  27           HZ1      LYS  27   4.970  12.923  -7.299
  198    HZ2  LYS  27           HZ2      LYS  27   6.053  12.024  -6.413
  199    HZ3  LYS  27           HZ3      LYS  27   5.670  13.562  -5.904
  200    H    LEU  28           HN       LEU  28   1.594   7.720  -7.610
  201    HA   LEU  28           HA       LEU  28   0.683   5.141  -7.801
  202    HB2  LEU  28           HB2      LEU  28   0.665   7.385  -9.792
  203    HB3  LEU  28           HB1      LEU  28  -0.094   5.838 -10.137
  204    HG   LEU  28           HG       LEU  28  -0.837   7.483  -7.707
  205   HD11  LEU  28          HD11      LEU  28  -2.794   8.208  -8.949
  206   HD12  LEU  28          HD12      LEU  28  -2.175   7.430 -10.410
  207   HD13  LEU  28          HD13      LEU  28  -1.317   8.813  -9.707
  208   HD21  LEU  28          HD21      LEU  28  -2.251   5.297  -9.204
  209   HD22  LEU  28          HD22      LEU  28  -2.822   6.106  -7.743
  210   HD23  LEU  28          HD23      LEU  28  -1.381   5.091  -7.691
  211    H    ASP  29           HN       ASP  29   3.469   6.477  -9.473
  212    HA   ASP  29           HA       ASP  29   3.773   3.976 -10.971
  213    HB2  ASP  29           HB2      ASP  29   5.443   5.059 -12.305
  214    HB3  ASP  29           HB1      ASP  29   4.109   6.184 -12.139
  215    H    LYS  30           HN       LYS  30   4.338   4.479  -7.955
  216    HA   LYS  30           HA       LYS  30   7.132   3.626  -7.943
  217    HB2  LYS  30           HB2      LYS  30   5.435   4.884  -5.771
  218    HB3  LYS  30           HB1      LYS  30   7.093   4.344  -5.562
  219    HG2  LYS  30           HG2      LYS  30   6.420   6.357  -7.667
  220    HG3  LYS  30           HG1      LYS  30   6.594   6.853  -5.989
  221    HD2  LYS  30           HD2      LYS  30   8.713   5.348  -7.533
  222    HD3  LYS  30           HD1      LYS  30   8.662   7.110  -7.386
  223    HE2  LYS  30           HE2      LYS  30   8.735   6.856  -4.919
  224    HE3  LYS  30           HE1      LYS  30   8.898   5.119  -5.131
  225    HZ1  LYS  30           HZ1      LYS  30  10.968   5.545  -6.335
  226    HZ2  LYS  30           HZ2      LYS  30  11.013   6.077  -4.739
  227    HZ3  LYS  30           HZ3      LYS  30  10.834   7.203  -5.995
  228    H    SER  31           HN       SER  31   7.181   1.536  -7.979
  229    HA   SER  31           HA       SER  31   5.205  -0.194  -6.932
  230    HB2  SER  31           HB2      SER  31   6.548  -0.769  -8.889
  231    HB3  SER  31           HB1      SER  31   8.014  -0.675  -7.924
  232    HG   SER  31           HG       SER  31   7.091  -2.807  -8.336
  233    H    PHE  32           HN       PHE  32   5.073  -1.079  -5.023
  234    HA   PHE  32           HA       PHE  32   6.389  -0.170  -2.729
  235    HB2  PHE  32           HB2      PHE  32   4.980  -2.805  -3.156
  236    HB3  PHE  32           HB1      PHE  32   5.483  -2.189  -1.596
  237    HD1  PHE  32           HD1      PHE  32   4.409  -0.062  -0.760
  238    HD2  PHE  32           HD2      PHE  32   2.951  -2.246  -4.099
  239    HE1  PHE  32           HE1      PHE  32   2.208   0.996  -0.487
  240    HE2  PHE  32           HE2      PHE  32   0.755  -1.188  -3.840
  241    HZ   PHE  32           HZ       PHE  32   0.376   0.428  -2.036
  242    H    THR  33           HN       THR  33   6.781  -3.241  -4.420
  243    HA   THR  33           HA       THR  33   9.052  -3.775  -2.732
  244    HB   THR  33           HB       THR  33   7.287  -5.491  -2.879
  245    HG1  THR  33           HG1      THR  33   9.753  -5.912  -2.838
  246   HG21  THR  33          HG21      THR  33   6.589  -5.112  -5.160
  247   HG22  THR  33          HG22      THR  33   7.030  -6.816  -4.943
  248   HG23  THR  33          HG23      THR  33   8.143  -5.696  -5.750
  249    H    ASP  34           HN       ASP  34   9.154  -1.881  -5.047
  250    HA   ASP  34           HA       ASP  34  11.539  -3.084  -6.229
  251    HB2  ASP  34           HB2      ASP  34   9.898  -3.486  -7.952
  252    HB3  ASP  34           HB1      ASP  34   9.386  -1.802  -7.918
  253    H    ASP  35           HN       ASP  35   9.660  -0.032  -6.300
  254    HA   ASP  35           HA       ASP  35  12.224   1.316  -6.657
  255    HB2  ASP  35           HB2      ASP  35   9.981   1.658  -8.025
  256    HB3  ASP  35           HB1      ASP  35   9.623   2.752  -6.695
  257    H    LEU  36           HN       LEU  36   9.481   1.032  -4.534
  258    HA   LEU  36           HA       LEU  36  10.245   3.175  -2.802
  259    HB2  LEU  36           HB2      LEU  36   8.349   0.869  -2.367
  260    HB3  LEU  36           HB1      LEU  36   8.542   2.225  -1.277
  261    HG   LEU  36           HG       LEU  36   7.472   2.333  -4.089
  262   HD11  LEU  36          HD11      LEU  36   6.140   2.714  -1.414
  263   HD12  LEU  36          HD12      LEU  36   5.915   1.342  -2.500
  264   HD13  LEU  36          HD13      LEU  36   5.382   2.951  -2.986
  265   HD21  LEU  36          HD21      LEU  36   7.853   4.503  -2.043
  266   HD22  LEU  36          HD22      LEU  36   7.015   4.660  -3.599
  267   HD23  LEU  36          HD23      LEU  36   8.737   4.285  -3.557
  268    H    ASP  37           HN       ASP  37  10.080  -0.323  -2.411
  269    HA   ASP  37           HA       ASP  37  11.074  -1.797  -1.118
  270    HB2  ASP  37           HB2      ASP  37  13.233  -1.145  -2.088
  271    HB3  ASP  37           HB1      ASP  37  13.360   0.203  -0.962
  272    H    VAL  38           HN       VAL  38   9.979  -2.117   0.567
  273    HA   VAL  38           HA       VAL  38  10.085  -0.142   2.703
  274    HB   VAL  38           HB       VAL  38   8.045   0.225   1.407
  275   HG11  VAL  38          HG11      VAL  38   6.196  -1.365   1.311
  276   HG12  VAL  38          HG12      VAL  38   7.253  -2.599   1.997
  277   HG13  VAL  38          HG13      VAL  38   7.629  -1.894   0.427
  278   HG21  VAL  38          HG21      VAL  38   7.460  -0.936   4.127
  279   HG22  VAL  38          HG22      VAL  38   6.370   0.114   3.218
  280   HG23  VAL  38          HG23      VAL  38   7.930   0.726   3.769
  281    H    ASP  39           HN       ASP  39  11.722  -1.681   3.307
  282    HA   ASP  39           HA       ASP  39  12.588  -3.170   4.700
  283    HB2  ASP  39           HB2      ASP  39  11.041  -2.531   6.420
  284    HB3  ASP  39           HB1      ASP  39   9.762  -3.517   5.710
  285    H    SER  40           HN       SER  40   9.778  -4.391   3.079
  286    HA   SER  40           HA       SER  40   9.594  -5.999   1.528
  287    HB2  SER  40           HB2      SER  40  11.968  -5.953   0.965
  288    HB3  SER  40           HB1      SER  40  12.378  -6.904   2.381
  289    H    LEU  41           HN       LEU  41  10.735  -7.239   4.685
  290    HA   LEU  41           HA       LEU  41   8.784  -9.332   4.277
  291    HB2  LEU  41           HB2      LEU  41   9.550 -10.301   6.428
  292    HB3  LEU  41           HB1      LEU  41  10.827 -10.126   5.252
  293    HG   LEU  41           HG       LEU  41  11.483  -8.016   6.546
  294   HD11  LEU  41          HD11      LEU  41   9.737  -9.303   8.641
  295   HD12  LEU  41          HD12      LEU  41   9.451  -7.767   7.825
  296   HD13  LEU  41          HD13      LEU  41  10.838  -7.938   8.902
  297   HD21  LEU  41          HD21      LEU  41  12.785 -10.055   6.580
  298   HD22  LEU  41          HD22      LEU  41  11.746 -10.721   7.839
  299   HD23  LEU  41          HD23      LEU  41  12.761  -9.319   8.182
  300    H    SER  42           HN       SER  42   9.152  -6.452   6.103
  301    HA   SER  42           HA       SER  42   6.839  -6.809   7.701
  302    HB2  SER  42           HB2      SER  42   8.337  -4.249   7.145
  303    HB3  SER  42           HB1      SER  42   7.219  -4.553   8.477
  304    HG   SER  42           HG       SER  42   9.732  -5.697   7.966
  305    H    MET  43           HN       MET  43   7.088  -6.149   4.463
  306    HA   MET  43           HA       MET  43   5.483  -4.032   4.101
  307    HB2  MET  43           HB2      MET  43   4.776  -4.975   1.783
  308    HB3  MET  43           HB1      MET  43   6.440  -4.724   2.029
  309    HG2  MET  43           HG2      MET  43   5.964  -6.773   0.838
  310    HG3  MET  43           HG1      MET  43   6.796  -7.094   2.350
  311    HE1  MET  43           HE1      MET  43   2.255  -7.847   1.809
  312    HE2  MET  43           HE2      MET  43   3.245  -7.251   0.494
  313    HE3  MET  43           HE3      MET  43   2.966  -6.236   1.922
  314    H    VAL  44           HN       VAL  44   4.303  -7.138   5.101
  315    HA   VAL  44           HA       VAL  44   1.594  -6.734   4.447
  316    HB   VAL  44           HB       VAL  44   2.654  -8.470   6.716
  317   HG11  VAL  44          HG11      VAL  44   0.586  -9.759   6.454
  318   HG12  VAL  44          HG12      VAL  44   0.033  -8.611   5.237
  319   HG13  VAL  44          HG13      VAL  44   0.258  -8.085   6.904
  320   HG21  VAL  44          HG21      VAL  44   3.678  -9.071   4.612
  321   HG22  VAL  44          HG22      VAL  44   2.080  -9.214   3.852
  322   HG23  VAL  44          HG23      VAL  44   2.553 -10.327   5.138
  323    H    GLU  45           HN       GLU  45   3.583  -5.565   6.972
  324    HA   GLU  45           HA       GLU  45   1.493  -4.885   8.786
  325    HB2  GLU  45           HB2      GLU  45   4.388  -4.010   8.667
  326    HB3  GLU  45           HB1      GLU  45   3.300  -3.746  10.032
  327    HG2  GLU  45           HG2      GLU  45   3.039  -6.164  10.298
  328    HG3  GLU  45           HG1      GLU  45   4.066  -6.421   8.913
  329    H    VAL  46           HN       VAL  46   3.185  -3.342   6.155
  330    HA   VAL  46           HA       VAL  46   2.156  -0.714   6.376
  331    HB   VAL  46           HB       VAL  46   2.476  -2.248   3.772
  332   HG11  VAL  46          HG11      VAL  46   2.935  -0.035   2.773
  333   HG12  VAL  46          HG12      VAL  46   2.650   0.721   4.335
  334   HG13  VAL  46          HG13      VAL  46   1.340  -0.104   3.512
  335   HG21  VAL  46          HG21      VAL  46   4.781  -1.397   3.660
  336   HG22  VAL  46          HG22      VAL  46   4.530  -2.475   5.032
  337   HG23  VAL  46          HG23      VAL  46   4.597  -0.731   5.283
  338    H    VAL  47           HN       VAL  47   0.934  -3.618   4.777
  339    HA   VAL  47           HA       VAL  47  -1.510  -2.752   3.810
  340    HB   VAL  47           HB       VAL  47  -1.054  -5.445   5.131
  341   HG11  VAL  47          HG11      VAL  47  -3.372  -5.020   4.585
  342   HG12  VAL  47          HG12      VAL  47  -2.712  -6.265   3.523
  343   HG13  VAL  47          HG13      VAL  47  -2.932  -4.619   2.924
  344   HG21  VAL  47          HG21      VAL  47   0.744  -5.045   3.554
  345   HG22  VAL  47          HG22      VAL  47  -0.427  -4.625   2.302
  346   HG23  VAL  47          HG23      VAL  47  -0.355  -6.274   2.922
  347    H    VAL  48           HN       VAL  48  -0.912  -4.299   6.950
  348    HA   VAL  48           HA       VAL  48  -3.355  -4.142   8.187
  349    HB   VAL  48           HB       VAL  48  -0.634  -3.665   9.456
  350   HG11  VAL  48          HG11      VAL  48  -1.648  -4.415  11.556
  351   HG12  VAL  48          HG12      VAL  48  -3.226  -4.489  10.773
  352   HG13  VAL  48          HG13      VAL  48  -2.411  -2.938  10.969
  353   HG21  VAL  48          HG21      VAL  48  -2.263  -6.181   9.133
  354   HG22  VAL  48          HG22      VAL  48  -0.730  -6.051   9.999
  355   HG23  VAL  48          HG23      VAL  48  -0.786  -5.772   8.259
  356    H    ALA  49           HN       ALA  49  -0.895  -1.574   8.291
  357    HA   ALA  49           HA       ALA  49  -2.540   0.226   9.784
  358    HB1  ALA  49           HB1      ALA  49  -0.749   1.844   9.485
  359    HB2  ALA  49           HB2      ALA  49   0.003   0.809   8.271
  360    HB3  ALA  49           HB3      ALA  49  -0.093   0.273   9.951
  361    H    ALA  50           HN       ALA  50  -2.013  -0.353   6.417
  362    HA   ALA  50           HA       ALA  50  -3.267   2.034   5.485
  363    HB1  ALA  50           HB1      ALA  50  -3.311   0.888   3.321
  364    HB2  ALA  50           HB2      ALA  50  -2.839  -0.622   4.102
  365    HB3  ALA  50           HB3      ALA  50  -1.724   0.746   4.076
  366    H    GLU  51           HN       GLU  51  -4.271  -1.267   6.176
  367    HA   GLU  51           HA       GLU  51  -6.939  -1.059   5.383
  368    HB2  GLU  51           HB2      GLU  51  -5.735  -2.790   7.547
  369    HB3  GLU  51           HB1      GLU  51  -7.361  -2.975   6.911
  370    HG2  GLU  51           HG2      GLU  51  -6.415  -3.440   4.694
  371    HG3  GLU  51           HG1      GLU  51  -4.795  -3.315   5.377
  372    H    GLU  52           HN       GLU  52  -5.274  -0.268   8.265
  373    HA   GLU  52           HA       GLU  52  -7.388   0.455   9.944
  374    HB2  GLU  52           HB2      GLU  52  -5.146   0.123  10.755
  375    HB3  GLU  52           HB1      GLU  52  -4.533   1.407   9.733
  376    HG2  GLU  52           HG2      GLU  52  -5.842   3.021  11.063
  377    HG3  GLU  52           HG1      GLU  52  -6.332   1.696  12.120
  378    H    ARG  53           HN       ARG  53  -5.546   2.210   7.527
  379    HA   ARG  53           HA       ARG  53  -6.590   4.808   8.063
  380    HB2  ARG  53           HB2      ARG  53  -4.389   4.598   7.192
  381    HB3  ARG  53           HB1      ARG  53  -4.949   3.662   5.826
  382    HG2  ARG  53           HG2      ARG  53  -4.332   5.881   5.122
  383    HG3  ARG  53           HG1      ARG  53  -6.066   5.660   4.934
  384    HD2  ARG  53           HD2      ARG  53  -6.499   6.969   6.892
  385    HD3  ARG  53           HD1      ARG  53  -4.777   7.039   7.286
  386    HE   ARG  53           HE       ARG  53  -6.098   8.424   5.041
  387   HH11  ARG  53          HH11      ARG  53  -3.404   8.107   7.335
  388   HH12  ARG  53          HH12      ARG  53  -2.548   9.436   6.691
  389   HH21  ARG  53          HH21      ARG  53  -4.877  10.234   4.153
  390   HH22  ARG  53          HH22      ARG  53  -3.339  10.594   4.868
  391    H    PHE  54           HN       PHE  54  -7.146   2.575   5.310
  392    HA   PHE  54           HA       PHE  54  -9.143   4.470   4.214
  393    HB2  PHE  54           HB2      PHE  54  -8.568   1.793   3.003
  394    HB3  PHE  54           HB1      PHE  54  -9.055   3.283   2.219
  395    HD1  PHE  54           HD1      PHE  54  -7.142   5.231   2.820
  396    HD2  PHE  54           HD2      PHE  54  -6.594   1.052   2.359
  397    HE1  PHE  54           HE1      PHE  54  -4.800   5.613   2.211
  398    HE2  PHE  54           HE2      PHE  54  -4.229   1.437   1.749
  399    HZ   PHE  54           HZ       PHE  54  -3.343   3.721   1.684
  400    H    ASP  55           HN       ASP  55  -9.055   1.925   6.258
  401    HA   ASP  55           HA       ASP  55 -10.194   0.122   6.798
  402    HB2  ASP  55           HB2      ASP  55 -11.933   1.802   7.506
  403    HB3  ASP  55           HB1      ASP  55 -12.709   1.590   5.931
  404    H    VAL  56           HN       VAL  56  -9.066  -0.762   5.145
  405    HA   VAL  56           HA       VAL  56 -10.782  -1.676   2.981
  406    HB   VAL  56           HB       VAL  56  -8.801  -0.272   2.234
  407   HG11  VAL  56          HG11      VAL  56  -7.125  -0.871   3.802
  408   HG12  VAL  56          HG12      VAL  56  -6.575  -1.306   2.173
  409   HG13  VAL  56          HG13      VAL  56  -7.165  -2.551   3.262
  410   HG21  VAL  56          HG21      VAL  56  -9.807  -1.796   0.670
  411   HG22  VAL  56          HG22      VAL  56  -8.796  -3.114   1.268
  412   HG23  VAL  56          HG23      VAL  56  -8.061  -1.748   0.428
  413    H    LYS  57           HN       LYS  57 -10.251  -3.909   2.338
  414    HA   LYS  57           HA       LYS  57  -9.289  -5.441   4.648
  415    HB2  LYS  57           HB2      LYS  57 -11.601  -6.239   2.844
  416    HB3  LYS  57           HB1      LYS  57 -10.952  -7.192   4.157
  417    HG2  LYS  57           HG2      LYS  57 -12.946  -6.313   5.006
  418    HG3  LYS  57           HG1      LYS  57 -11.706  -5.263   5.684
  419    HD2  LYS  57           HD2      LYS  57 -12.207  -3.541   4.077
  420    HD3  LYS  57           HD1      LYS  57 -13.287  -4.614   3.187
  421    HE2  LYS  57           HE2      LYS  57 -14.630  -3.127   4.499
  422    HE3  LYS  57           HE1      LYS  57 -14.732  -4.733   5.212
  423    HZ1  LYS  57           HZ1      LYS  57 -12.879  -3.831   6.810
  424    HZ2  LYS  57           HZ2      LYS  57 -14.469  -3.389   6.991
  425    HZ3  LYS  57           HZ3      LYS  57 -13.446  -2.301   6.291
  426    H    ILE  58           HN       ILE  58  -7.311  -6.019   3.873
  427    HA   ILE  58           HA       ILE  58  -7.372  -7.529   1.367
  428    HB   ILE  58           HB       ILE  58  -4.994  -5.746   1.980
  429   HG12  ILE  58          HG12      ILE  58  -7.299  -5.070   0.124
  430   HG13  ILE  58          HG11      ILE  58  -7.002  -4.292   1.677
  431   HG21  ILE  58          HG21      ILE  58  -6.084  -7.010  -0.522
  432   HG22  ILE  58          HG22      ILE  58  -4.741  -7.662   0.430
  433   HG23  ILE  58          HG23      ILE  58  -4.571  -6.110  -0.419
  434   HD11  ILE  58          HD11      ILE  58  -5.168  -4.228  -0.714
  435   HD12  ILE  58          HD12      ILE  58  -4.868  -3.446   0.839
  436   HD13  ILE  58          HD13      ILE  58  -6.219  -2.920  -0.166
  437    HA   PRO  59           HA       PRO  59  -5.402 -10.149   4.527
  438    HB2  PRO  59           HB2      PRO  59  -5.873 -12.453   3.140
  439    HB3  PRO  59           HB1      PRO  59  -7.068 -11.703   4.203
  440    HG2  PRO  59           HG2      PRO  59  -6.804 -11.517   1.226
  441    HG3  PRO  59           HG1      PRO  59  -8.263 -11.777   2.203
  442    HD2  PRO  59           HD2      PRO  59  -7.658  -9.373   1.197
  443    HD3  PRO  59           HD1      PRO  59  -8.410  -9.549   2.798
  444    H    ASP  60           HN       ASP  60  -3.512 -11.498   4.427
  445    HA   ASP  60           HA       ASP  60  -1.450 -10.631   2.788
  446    HB2  ASP  60           HB2      ASP  60  -0.173 -12.631   3.599
  447    HB3  ASP  60           HB1      ASP  60  -0.886 -11.648   4.872
  448    H    ASP  61           HN       ASP  61  -3.565 -13.378   2.307
  449    HA   ASP  61           HA       ASP  61  -2.141 -14.506   0.118
  450    HB2  ASP  61           HB2      ASP  61  -3.689 -15.874   1.367
  451    HB3  ASP  61           HB1      ASP  61  -5.018 -14.784   0.998
  452    H    ASP  62           HN       ASP  62  -4.252 -11.857   0.404
  453    HA   ASP  62           HA       ASP  62  -4.963 -11.849  -2.402
  454    HB2  ASP  62           HB2      ASP  62  -6.574 -11.202  -0.531
  455    HB3  ASP  62           HB1      ASP  62  -5.582  -9.759  -0.338
  456    H    VAL  63           HN       VAL  63  -3.157  -9.825  -0.079
  457    HA   VAL  63           HA       VAL  63  -2.458  -7.845  -1.937
  458    HB   VAL  63           HB       VAL  63  -2.543  -7.260   0.394
  459   HG11  VAL  63          HG11      VAL  63  -1.901  -9.343   1.409
  460   HG12  VAL  63          HG12      VAL  63  -0.917  -8.024   2.044
  461   HG13  VAL  63          HG13      VAL  63  -0.243  -9.131   0.852
  462   HG21  VAL  63          HG21      VAL  63  -1.039  -5.910  -0.900
  463   HG22  VAL  63          HG22      VAL  63   0.287  -7.032  -0.599
  464   HG23  VAL  63          HG23      VAL  63  -0.400  -6.101   0.734
  465    H    LYS  64           HN       LYS  64  -1.025 -10.869  -1.390
  466    HA   LYS  64           HA       LYS  64   1.615 -10.372  -2.066
  467    HB2  LYS  64           HB2      LYS  64   1.781 -12.818  -2.604
  468    HB3  LYS  64           HB1      LYS  64   1.144 -12.425  -1.018
  469    HG2  LYS  64           HG2      LYS  64  -1.155 -12.776  -1.980
  470    HG3  LYS  64           HG1      LYS  64  -0.362 -13.404  -3.423
  471    HD2  LYS  64           HD2      LYS  64   0.146 -14.495  -0.657
  472    HD3  LYS  64           HD1      LYS  64  -1.110 -15.126  -1.716
  473    HE2  LYS  64           HE2      LYS  64   1.812 -14.999  -2.451
  474    HE3  LYS  64           HE1      LYS  64   1.048 -16.408  -1.718
  475    HZ1  LYS  64           HZ1      LYS  64  -0.499 -16.437  -3.644
  476    HZ2  LYS  64           HZ2      LYS  64   1.107 -16.727  -4.041
  477    HZ3  LYS  64           HZ3      LYS  64   0.434 -15.222  -4.385
  478    H    ASN  65           HN       ASN  65  -0.815  -9.760  -4.181
  479    HA   ASN  65           HA       ASN  65   0.800 -10.509  -6.497
  480    HB2  ASN  65           HB2      ASN  65  -2.186 -10.115  -6.316
  481    HB3  ASN  65           HB1      ASN  65  -1.285 -10.459  -7.778
  482   HD21  ASN  65          HD21      ASN  65  -2.648 -11.727  -4.881
  483   HD22  ASN  65          HD22      ASN  65  -2.421 -13.390  -5.223
  484    H    LEU  66           HN       LEU  66   0.484  -7.891  -4.645
  485    HA   LEU  66           HA       LEU  66  -0.420  -5.996  -6.634
  486    HB2  LEU  66           HB2      LEU  66   0.791  -5.536  -3.912
  487    HB3  LEU  66           HB1      LEU  66   0.203  -4.258  -4.951
  488    HG   LEU  66           HG       LEU  66  -1.428  -6.421  -3.630
  489   HD11  LEU  66          HD11      LEU  66  -0.689  -4.608  -2.178
  490   HD12  LEU  66          HD12      LEU  66  -2.436  -4.580  -2.432
  491   HD13  LEU  66          HD13      LEU  66  -1.405  -3.429  -3.281
  492   HD21  LEU  66          HD21      LEU  66  -2.344  -4.214  -5.474
  493   HD22  LEU  66          HD22      LEU  66  -3.372  -5.344  -4.581
  494   HD23  LEU  66          HD23      LEU  66  -2.315  -5.940  -5.852
  495    H    LYS  67           HN       LYS  67   1.111  -3.855  -6.668
  496    HA   LYS  67           HA       LYS  67   3.872  -4.576  -7.130
  497    HB2  LYS  67           HB2      LYS  67   2.836  -5.075  -9.304
  498    HB3  LYS  67           HB1      LYS  67   2.125  -3.468  -9.352
  499    HG2  LYS  67           HG2      LYS  67   4.515  -2.597  -9.209
  500    HG3  LYS  67           HG1      LYS  67   5.013  -4.243  -9.607
  501    HD2  LYS  67           HD2      LYS  67   3.219  -2.455 -11.241
  502    HD3  LYS  67           HD1      LYS  67   4.908  -2.810 -11.587
  503    HE2  LYS  67           HE2      LYS  67   4.312  -5.205 -11.824
  504    HE3  LYS  67           HE1      LYS  67   2.619  -4.770 -11.589
  505    HZ1  LYS  67           HZ1      LYS  67   3.143  -4.973 -13.924
  506    HZ2  LYS  67           HZ2      LYS  67   4.389  -3.841 -13.766
  507    HZ3  LYS  67           HZ3      LYS  67   2.796  -3.338 -13.584
  508    H    THR  68           HN       THR  68   1.877  -1.884  -8.341
  509    HA   THR  68           HA       THR  68   3.616  -0.054  -6.842
  510    HB   THR  68           HB       THR  68   2.869   1.672  -8.438
  511    HG1  THR  68           HG1      THR  68   1.371  -0.468  -9.633
  512   HG21  THR  68          HG21      THR  68   4.872   0.404  -9.040
  513   HG22  THR  68          HG22      THR  68   3.958   0.840 -10.485
  514   HG23  THR  68          HG23      THR  68   3.877  -0.804  -9.850
  515    H    VAL  69           HN       VAL  69   2.214   2.139  -6.482
  516    HA   VAL  69           HA       VAL  69  -0.111   1.176  -5.183
  517    HB   VAL  69           HB       VAL  69  -0.525   3.231  -4.159
  518   HG11  VAL  69          HG11      VAL  69   2.418   2.874  -4.264
  519   HG12  VAL  69          HG12      VAL  69   1.256   2.099  -3.179
  520   HG13  VAL  69          HG13      VAL  69   1.537   3.837  -3.077
  521   HG21  VAL  69          HG21      VAL  69   0.639   5.321  -4.658
  522   HG22  VAL  69          HG22      VAL  69  -0.377   4.740  -5.970
  523   HG23  VAL  69          HG23      VAL  69   1.377   4.542  -6.062
  524    H    GLY  70           HN       GLY  70   0.615   2.093  -8.248
  525    HA2  GLY  70           HA2      GLY  70  -1.788   3.320  -9.048
  526    HA3  GLY  70           HA1      GLY  70  -0.706   2.370 -10.076
  527    H    ASP  71           HN       ASP  71  -0.683  -0.017  -8.832
  528    HA   ASP  71           HA       ASP  71  -3.215  -1.193  -9.540
  529    HB2  ASP  71           HB2      ASP  71  -1.247  -2.644  -7.739
  530    HB3  ASP  71           HB1      ASP  71  -2.330  -3.269  -8.937
  531    H    ALA  72           HN       ALA  72  -1.524  -0.477  -6.530
  532    HA   ALA  72           HA       ALA  72  -3.417  -1.581  -4.835
  533    HB1  ALA  72           HB1      ALA  72  -1.166  -0.811  -4.130
  534    HB2  ALA  72           HB2      ALA  72  -2.473  -0.318  -3.059
  535    HB3  ALA  72           HB3      ALA  72  -1.774   0.852  -4.174
  536    H    THR  73           HN       THR  73  -3.449   1.581  -6.372
  537    HA   THR  73           HA       THR  73  -5.407   2.698  -4.782
  538    HB   THR  73           HB       THR  73  -4.750   3.332  -7.668
  539    HG1  THR  73           HG1      THR  73  -3.072   3.666  -6.113
  540   HG21  THR  73          HG21      THR  73  -6.328   4.963  -5.662
  541   HG22  THR  73          HG22      THR  73  -6.996   4.183  -7.098
  542   HG23  THR  73          HG23      THR  73  -5.837   5.502  -7.265
  543    H    LYS  74           HN       LYS  74  -5.981   1.262  -8.015
  544    HA   LYS  74           HA       LYS  74  -8.790   1.568  -7.682
  545    HB2  LYS  74           HB2      LYS  74  -9.026   0.649  -9.876
  546    HB3  LYS  74           HB1      LYS  74  -7.401   1.327  -9.859
  547    HG2  LYS  74           HG2      LYS  74  -7.849  -1.553  -9.312
  548    HG3  LYS  74           HG1      LYS  74  -7.740  -0.911 -10.948
  549    HD2  LYS  74           HD2      LYS  74  -5.575  -0.036 -10.504
  550    HD3  LYS  74           HD1      LYS  74  -5.679  -0.508  -8.802
  551    HE2  LYS  74           HE2      LYS  74  -4.344  -2.134 -10.075
  552    HE3  LYS  74           HE1      LYS  74  -5.833  -2.883  -9.519
  553    HZ1  LYS  74           HZ1      LYS  74  -5.341  -3.483 -11.780
  554    HZ2  LYS  74           HZ2      LYS  74  -5.293  -1.860 -12.250
  555    HZ3  LYS  74           HZ3      LYS  74  -6.764  -2.557 -11.742
  556    H    TYR  75           HN       TYR  75  -6.558  -0.702  -6.681
  557    HA   TYR  75           HA       TYR  75  -8.161  -3.052  -6.455
  558    HB2  TYR  75           HB2      TYR  75  -5.654  -2.779  -6.678
  559    HB3  TYR  75           HB1      TYR  75  -5.663  -2.311  -4.992
  560    HD1  TYR  75           HD1      TYR  75  -6.104  -4.970  -7.377
  561    HD2  TYR  75           HD2      TYR  75  -5.999  -3.944  -3.271
  562    HE1  TYR  75           HE1      TYR  75  -5.827  -7.306  -6.832
  563    HE2  TYR  75           HE2      TYR  75  -5.742  -6.277  -2.670
  564    HH   TYR  75           HH       TYR  75  -6.088  -8.408  -3.594
  565    H    ILE  76           HN       ILE  76  -6.751  -0.727  -4.168
  566    HA   ILE  76           HA       ILE  76  -8.022  -1.714  -1.894
  567    HB   ILE  76           HB       ILE  76  -6.735   0.951  -2.509
  568   HG12  ILE  76          HG12      ILE  76  -5.859  -1.345  -0.743
  569   HG13  ILE  76          HG11      ILE  76  -5.300  -1.058  -2.385
  570   HG21  ILE  76          HG21      ILE  76  -7.794   0.045   0.162
  571   HG22  ILE  76          HG22      ILE  76  -8.428   1.370  -0.816
  572   HG23  ILE  76          HG23      ILE  76  -6.812   1.482  -0.120
  573   HD11  ILE  76          HD11      ILE  76  -4.890   0.777  -0.046
  574   HD12  ILE  76          HD12      ILE  76  -4.279   1.028  -1.684
  575   HD13  ILE  76          HD13      ILE  76  -3.686  -0.324  -0.713
  576    H    LEU  77           HN       LEU  77  -8.964   0.733  -4.245
  577    HA   LEU  77           HA       LEU  77 -11.148   1.717  -2.859
  578    HB2  LEU  77           HB2      LEU  77 -10.699   1.510  -5.834
  579    HB3  LEU  77           HB1      LEU  77 -12.051   2.369  -5.124
  580    HG   LEU  77           HG       LEU  77  -9.139   3.056  -4.692
  581   HD11  LEU  77          HD11      LEU  77 -11.239   4.442  -6.355
  582   HD12  LEU  77          HD12      LEU  77  -9.844   3.559  -6.969
  583   HD13  LEU  77          HD13      LEU  77  -9.612   5.040  -6.037
  584   HD21  LEU  77          HD21      LEU  77 -11.657   4.471  -3.821
  585   HD22  LEU  77          HD22      LEU  77 -10.011   5.079  -3.624
  586   HD23  LEU  77          HD23      LEU  77 -10.521   3.621  -2.773
  587    H    ASP  78           HN       ASP  78 -10.872  -1.148  -4.864
  588    HA   ASP  78           HA       ASP  78 -13.710  -1.712  -4.736
  589    HB2  ASP  78           HB2      ASP  78 -12.370  -2.307  -6.728
  590    HB3  ASP  78           HB1      ASP  78 -11.440  -3.434  -5.750
  591    H    HIS  79           HN       HIS  79 -10.974  -2.398  -2.846
  592    HA   HIS  79           HA       HIS  79 -12.221  -4.730  -1.547
  593    HB2  HIS  79           HB2      HIS  79  -9.361  -3.777  -1.580
  594    HB3  HIS  79           HB1      HIS  79  -9.927  -5.035  -0.488
  595    HD1  HIS  79           HD1      HIS  79  -9.095  -7.241  -1.438
  596    HD2  HIS  79           HD2      HIS  79 -10.541  -4.700  -4.398
  597    HE1  HIS  79           HE1      HIS  79  -8.914  -8.497  -3.556
  598    HE2  HIS  79           HE2      HIS  79 -10.270  -7.119  -5.143
  599    H    GLN  80           HN       GLN  80 -12.437  -1.573  -1.055
  600    HA   GLN  80           HA       GLN  80 -12.091  -1.725   1.870
  601    HB2  GLN  80           HB2      GLN  80 -11.944   0.681   1.893
  602    HB3  GLN  80           HB1      GLN  80 -10.811   0.039   0.713
  603    HG2  GLN  80           HG2      GLN  80 -12.407   0.584  -1.084
  604    HG3  GLN  80           HG1      GLN  80 -13.495   1.273   0.112
  605   HE21  GLN  80          HE21      GLN  80 -10.008   1.633   0.172
  606   HE22  GLN  80          HE22      GLN  80 -10.015   3.324  -0.183
  607    H    ALA  81           HN       ALA  81 -13.702  -0.232   3.045
  608    HA   ALA  81           HA       ALA  81 -16.334  -0.532   1.806
  609    HB1  ALA  81           HB1      ALA  81 -15.646  -0.627   4.753
  610    HB2  ALA  81           HB2      ALA  81 -16.071  -2.015   3.753
  611    HB3  ALA  81           HB3      ALA  81 -17.269  -0.757   4.070
  612    H2   SOO 101           H2A      SOO 101   3.971  -5.819  -0.534
  613    H3   SOO 101           H3A      SOO 101   1.954  -4.042  -2.056
  614    H4   SOO 101           H4A      SOO 101   1.916  -4.726   0.814
  615    H4A  SOO 101           H4B      SOO 101   3.055  -3.400   0.528
  616    H5   SOO 101           H5A      SOO 101   0.163  -3.468  -0.341
  617    H5A  SOO 101           H5B      SOO 101   1.296  -2.148  -0.621
  618    H6   SOO 101           H6A      SOO 101   1.511  -1.785   1.765
  619    H6A  SOO 101           H6B      SOO 101   0.423  -3.134   2.087
  620    H7   SOO 101           H7A      SOO 101  -0.330  -0.627   0.567
  621    H7A  SOO 101           H7B      SOO 101  -0.733  -0.963   2.260
  622    H8   SOO 101           H8C      SOO 101  -2.610  -1.482   0.776
  623    H8A  SOO 101           H8A      SOO 101  -1.992  -2.943   1.548
  624    H8B  SOO 101           H8B      SOO 101  -1.589  -2.595  -0.134
  625    H28  SOO 101          H28A      SOO 101   9.663 -11.050   1.682
  626   H28A  SOO 101          H28B      SOO 101   9.592  -9.352   1.201
  627    H30  SOO 101          H30A      SOO 101  10.617 -10.054  -1.653
  628   H30A  SOO 101          H30B      SOO 101   9.429  -8.811  -1.239
  629   H30B  SOO 101          H30C      SOO 101   9.014 -10.084  -2.386
  630    H31  SOO 101          H31A      SOO 101   8.902 -12.804   0.109
  631   H31A  SOO 101          H31B      SOO 101  10.284 -12.395  -0.901
  632   H31B  SOO 101          H31C      SOO 101   8.661 -12.416  -1.594
  633    H32  SOO 101          H32A      SOO 101   7.488  -9.353   0.230
  634   HO33  SOO 101          H33A      SOO 101   6.841 -11.327  -1.668
  635   HN36  SOO 101          H36A      SOO 101   5.294 -10.337   0.227
  636    H37  SOO 101          H37A      SOO 101   4.824 -12.574   2.077
  637   H37A  SOO 101          H37B      SOO 101   4.356 -10.960   2.571
  638    H38  SOO 101          H38A      SOO 101   3.260 -12.477   0.215
  639   H38A  SOO 101          H38B      SOO 101   2.379 -11.989   1.672
  640   HN41  SOO 101          H41A      SOO 101   4.378 -10.576  -0.911
  641    H42  SOO 101          H42A      SOO 101   3.328  -9.255  -2.622
  642   H42A  SOO 101          H42B      SOO 101   2.565  -8.288  -1.329
  643    H43  SOO 101          H43A      SOO 101   5.541  -8.749  -1.565
  644   H43A  SOO 101          H43B      SOO 101   4.728  -7.411  -0.702
  Start of MODEL    2
    1    H1   ALA   1           HT1      ALA   1 -14.335   3.737   2.803
    2    H2   ALA   1           HT2      ALA   1 -15.863   3.636   2.103
    3    H3   ALA   1           HT3      ALA   1 -15.280   5.130   2.696
    4    HA   ALA   1           HA       ALA   1 -14.143   3.616   0.444
    5    HB1  ALA   1           HB1      ALA   1 -15.720   6.188   0.496
    6    HB2  ALA   1           HB2      ALA   1 -16.298   4.633  -0.104
    7    HB3  ALA   1           HB3      ALA   1 -14.976   5.459  -0.927
    8    H    ALA   2           HN       ALA   2 -12.769   5.318  -0.823
    9    HA   ALA   2           HA       ALA   2 -11.507   7.422   0.611
   10    HB1  ALA   2           HB1      ALA   2  -9.237   6.436   0.717
   11    HB2  ALA   2           HB2      ALA   2  -9.887   4.892   0.170
   12    HB3  ALA   2           HB3      ALA   2 -10.368   5.545   1.738
   13    H    THR   3           HN       THR   3 -10.535   8.778  -0.898
   14    HA   THR   3           HA       THR   3 -10.833   8.041  -3.663
   15    HB   THR   3           HB       THR   3  -9.918  10.302  -4.136
   16    HG1  THR   3           HG1      THR   3  -9.721  11.579  -1.961
   17   HG21  THR   3          HG21      THR   3 -12.328  10.066  -3.684
   18   HG22  THR   3          HG22      THR   3 -11.722  11.608  -3.073
   19   HG23  THR   3          HG23      THR   3 -12.025  10.277  -1.960
   20    H    GLN   4           HN       GLN   4  -8.858   8.690  -5.177
   21    HA   GLN   4           HA       GLN   4  -6.687   7.009  -4.634
   22    HB2  GLN   4           HB2      GLN   4  -7.130   7.436  -6.913
   23    HB3  GLN   4           HB1      GLN   4  -7.225   9.160  -6.687
   24    HG2  GLN   4           HG2      GLN   4  -4.621   7.666  -6.420
   25    HG3  GLN   4           HG1      GLN   4  -5.230   8.183  -7.989
   26   HE21  GLN   4          HE21      GLN   4  -2.786   9.022  -6.635
   27   HE22  GLN   4          HE22      GLN   4  -2.911  10.724  -6.408
   28    H    GLU   5           HN       GLU   5  -7.196  10.423  -4.230
   29    HA   GLU   5           HA       GLU   5  -4.631  11.209  -3.432
   30    HB2  GLU   5           HB2      GLU   5  -6.714  12.630  -3.936
   31    HB3  GLU   5           HB1      GLU   5  -7.162  12.336  -2.264
   32    HG2  GLU   5           HG2      GLU   5  -6.092  14.424  -2.298
   33    HG3  GLU   5           HG1      GLU   5  -4.918  13.288  -1.622
   34    H    GLU   6           HN       GLU   6  -7.362   9.894  -1.588
   35    HA   GLU   6           HA       GLU   6  -6.111  10.159   0.947
   36    HB2  GLU   6           HB2      GLU   6  -8.423   8.445   0.063
   37    HB3  GLU   6           HB1      GLU   6  -7.898   8.616   1.728
   38    HG2  GLU   6           HG2      GLU   6  -8.387  10.999   1.639
   39    HG3  GLU   6           HG1      GLU   6  -8.912  10.825  -0.037
   40    H    ILE   7           HN       ILE   7  -6.412   7.532  -1.362
   41    HA   ILE   7           HA       ILE   7  -5.240   5.549   0.268
   42    HB   ILE   7           HB       ILE   7  -5.419   5.703  -2.758
   43   HG12  ILE   7          HG12      ILE   7  -7.083   4.182  -0.738
   44   HG13  ILE   7          HG11      ILE   7  -7.568   5.690  -1.500
   45   HG21  ILE   7          HG21      ILE   7  -3.631   4.168  -2.093
   46   HG22  ILE   7          HG22      ILE   7  -5.017   3.261  -2.710
   47   HG23  ILE   7          HG23      ILE   7  -4.727   3.356  -0.975
   48   HD11  ILE   7          HD11      ILE   7  -8.632   3.795  -2.557
   49   HD12  ILE   7          HD12      ILE   7  -7.056   3.080  -2.897
   50   HD13  ILE   7          HD13      ILE   7  -7.527   4.590  -3.678
   51    H    VAL   8           HN       VAL   8  -3.808   7.289  -2.463
   52    HA   VAL   8           HA       VAL   8  -1.239   6.244  -2.203
   53    HB   VAL   8           HB       VAL   8  -2.155   8.875  -3.404
   54   HG11  VAL   8          HG11      VAL   8   0.380   7.318  -3.838
   55   HG12  VAL   8          HG12      VAL   8   0.250   8.866  -2.996
   56   HG13  VAL   8          HG13      VAL   8  -0.119   8.761  -4.721
   57   HG21  VAL   8          HG21      VAL   8  -1.735   6.136  -4.553
   58   HG22  VAL   8          HG22      VAL   8  -2.003   7.581  -5.505
   59   HG23  VAL   8          HG23      VAL   8  -3.266   7.006  -4.409
   60    H    ALA   9           HN       ALA   9  -2.361   9.474  -1.158
   61    HA   ALA   9           HA       ALA   9   0.019  10.144   0.188
   62    HB1  ALA   9           HB1      ALA   9  -1.646  11.820  -0.494
   63    HB2  ALA   9           HB2      ALA   9  -1.238  11.954   1.218
   64    HB3  ALA   9           HB3      ALA   9  -2.756  11.200   0.729
   65    H    GLY  10           HN       GLY  10  -2.803   8.352   1.242
   66    HA2  GLY  10           HA2      GLY  10  -2.216   8.441   4.031
   67    HA3  GLY  10           HA1      GLY  10  -3.308   7.314   3.230
   68    H    LEU  11           HN       LEU  11  -1.573   6.182   1.429
   69    HA   LEU  11           HA       LEU  11  -0.409   4.079   2.773
   70    HB2  LEU  11           HB2      LEU  11  -0.618   5.059   0.119
   71    HB3  LEU  11           HB1      LEU  11   1.020   4.496   0.363
   72    HG   LEU  11           HG       LEU  11  -1.504   2.878   0.848
   73   HD11  LEU  11          HD11      LEU  11  -1.164   3.324  -1.517
   74   HD12  LEU  11          HD12      LEU  11  -0.845   1.629  -1.147
   75   HD13  LEU  11          HD13      LEU  11   0.496   2.744  -1.401
   76   HD21  LEU  11          HD21      LEU  11   0.343   2.211   2.291
   77   HD22  LEU  11          HD22      LEU  11   1.404   2.076   0.892
   78   HD23  LEU  11          HD23      LEU  11   0.033   0.978   1.066
   79    H    ALA  12           HN       ALA  12   1.040   6.997   1.505
   80    HA   ALA  12           HA       ALA  12   3.689   6.354   2.032
   81    HB1  ALA  12           HB1      ALA  12   4.177   8.647   1.730
   82    HB2  ALA  12           HB2      ALA  12   2.464   9.078   1.899
   83    HB3  ALA  12           HB3      ALA  12   3.014   8.098   0.526
   84    H    GLU  13           HN       GLU  13   1.247   7.652   4.159
   85    HA   GLU  13           HA       GLU  13   3.023   8.589   6.170
   86    HB2  GLU  13           HB2      GLU  13   0.171   7.618   6.431
   87    HB3  GLU  13           HB1      GLU  13   1.073   8.394   7.721
   88    HG2  GLU  13           HG2      GLU  13   1.241  10.424   6.351
   89    HG3  GLU  13           HG1      GLU  13   0.295   9.630   5.091
   90    H    ILE  14           HN       ILE  14   1.274   5.568   5.754
   91    HA   ILE  14           HA       ILE  14   2.395   4.311   8.034
   92    HB   ILE  14           HB       ILE  14   1.058   3.128   5.580
   93   HG12  ILE  14          HG12      ILE  14  -0.758   2.505   7.227
   94   HG13  ILE  14          HG11      ILE  14   0.088   3.457   8.429
   95   HG21  ILE  14          HG21      ILE  14   0.949   0.979   6.758
   96   HG22  ILE  14          HG22      ILE  14   1.951   1.652   8.044
   97   HG23  ILE  14          HG23      ILE  14   2.606   1.479   6.416
   98   HD11  ILE  14          HD11      ILE  14  -0.285   5.457   7.084
   99   HD12  ILE  14          HD12      ILE  14  -1.799   4.648   7.498
  100   HD13  ILE  14          HD13      ILE  14  -1.124   4.483   5.878
  101    H    VAL  15           HN       VAL  15   3.215   4.259   4.590
  102    HA   VAL  15           HA       VAL  15   5.338   2.463   4.725
  103    HB   VAL  15           HB       VAL  15   4.844   4.739   2.782
  104   HG11  VAL  15          HG11      VAL  15   6.881   2.517   2.573
  105   HG12  VAL  15          HG12      VAL  15   7.219   4.239   2.808
  106   HG13  VAL  15          HG13      VAL  15   6.473   3.687   1.307
  107   HG21  VAL  15          HG21      VAL  15   4.475   1.757   2.550
  108   HG22  VAL  15          HG22      VAL  15   4.168   2.936   1.272
  109   HG23  VAL  15          HG23      VAL  15   3.194   2.955   2.742
  110    H    ASN  16           HN       ASN  16   5.214   5.853   5.449
  111    HA   ASN  16           HA       ASN  16   8.010   6.299   5.583
  112    HB2  ASN  16           HB2      ASN  16   6.152   8.031   5.323
  113    HB3  ASN  16           HB1      ASN  16   5.895   7.860   7.054
  114   HD21  ASN  16          HD21      ASN  16   8.045   8.860   4.584
  115   HD22  ASN  16          HD22      ASN  16   9.084   9.842   5.531
  116    H    GLU  17           HN       GLU  17   5.644   5.079   7.784
  117    HA   GLU  17           HA       GLU  17   7.312   5.253  10.132
  118    HB2  GLU  17           HB2      GLU  17   4.837   3.582   9.659
  119    HB3  GLU  17           HB1      GLU  17   5.550   3.984  11.214
  120    HG2  GLU  17           HG2      GLU  17   4.394   5.944   9.284
  121    HG3  GLU  17           HG1      GLU  17   3.516   5.290  10.659
  122    H    ILE  18           HN       ILE  18   6.035   2.652   8.116
  123    HA   ILE  18           HA       ILE  18   7.338   0.443   9.230
  124    HB   ILE  18           HB       ILE  18   6.503   0.868   6.354
  125   HG12  ILE  18          HG12      ILE  18   4.659   1.183   7.964
  126   HG13  ILE  18          HG11      ILE  18   4.416  -0.235   6.961
  127   HG21  ILE  18          HG21      ILE  18   8.025  -1.012   6.532
  128   HG22  ILE  18          HG22      ILE  18   6.389  -1.583   6.205
  129   HG23  ILE  18          HG23      ILE  18   7.054  -1.703   7.834
  130   HD11  ILE  18          HD11      ILE  18   5.173  -1.644   8.830
  131   HD12  ILE  18          HD12      ILE  18   3.749  -0.682   9.202
  132   HD13  ILE  18          HD13      ILE  18   5.330  -0.194   9.830
  133    H    ALA  19           HN       ALA  19   8.283   2.375   6.382
  134    HA   ALA  19           HA       ALA  19  10.946   1.124   6.553
  135    HB1  ALA  19           HB1      ALA  19   9.727   0.508   4.516
  136    HB2  ALA  19           HB2      ALA  19  11.178   1.439   4.156
  137    HB3  ALA  19           HB3      ALA  19   9.596   2.214   4.091
  138    H    GLY  20           HN       GLY  20   9.294   4.102   5.657
  139    HA2  GLY  20           HA2      GLY  20  10.144   6.197   6.573
  140    HA3  GLY  20           HA1      GLY  20  11.763   5.524   6.427
  141    H    ILE  21           HN       ILE  21   9.182   5.364   4.079
  142    HA   ILE  21           HA       ILE  21  10.939   6.660   2.160
  143    HB   ILE  21           HB       ILE  21   8.308   5.182   1.778
  144   HG12  ILE  21          HG12      ILE  21  10.127   3.693   2.383
  145   HG13  ILE  21          HG11      ILE  21   9.685   3.446   0.699
  146   HG21  ILE  21          HG21      ILE  21   8.744   5.295  -0.633
  147   HG22  ILE  21          HG22      ILE  21  10.160   6.297  -0.328
  148   HG23  ILE  21          HG23      ILE  21   8.550   6.904   0.067
  149   HD11  ILE  21          HD11      ILE  21  12.091   3.397   0.987
  150   HD12  ILE  21          HD12      ILE  21  12.053   5.012   1.704
  151   HD13  ILE  21          HD13      ILE  21  11.612   4.790   0.011
  152    HA   PRO  22           HA       PRO  22   9.236  10.669   2.816
  153    HB2  PRO  22           HB2      PRO  22   9.328  10.646  -0.182
  154    HB3  PRO  22           HB1      PRO  22   9.823  11.923   0.942
  155    HG2  PRO  22           HG2      PRO  22  11.646  10.357  -0.143
  156    HG3  PRO  22           HG1      PRO  22  11.756  10.803   1.569
  157    HD2  PRO  22           HD2      PRO  22  10.978   8.211   0.337
  158    HD3  PRO  22           HD1      PRO  22  11.785   8.533   1.883
  159    H    VAL  23           HN       VAL  23   7.344  11.539   2.960
  160    HA   VAL  23           HA       VAL  23   5.062   9.963   2.528
  161    HB   VAL  23           HB       VAL  23   3.757  11.844   3.462
  162   HG11  VAL  23          HG11      VAL  23   4.831  11.809   5.663
  163   HG12  VAL  23          HG12      VAL  23   6.287  11.131   4.933
  164   HG13  VAL  23          HG13      VAL  23   4.784  10.207   4.927
  165   HG21  VAL  23          HG21      VAL  23   6.434  13.207   3.448
  166   HG22  VAL  23          HG22      VAL  23   4.980  13.842   4.238
  167   HG23  VAL  23          HG23      VAL  23   5.041  13.662   2.475
  168    H    GLU  24           HN       GLU  24   6.462  11.907   0.172
  169    HA   GLU  24           HA       GLU  24   3.898  11.961  -1.232
  170    HB2  GLU  24           HB2      GLU  24   4.995  14.174  -0.754
  171    HB3  GLU  24           HB1      GLU  24   6.361  13.637  -1.726
  172    HG2  GLU  24           HG2      GLU  24   4.735  13.231  -3.536
  173    HG3  GLU  24           HG1      GLU  24   3.559  14.136  -2.575
  174    H    ASP  25           HN       ASP  25   6.634  10.236  -0.842
  175    HA   ASP  25           HA       ASP  25   7.362  10.008  -3.656
  176    HB2  ASP  25           HB2      ASP  25   9.081  10.283  -1.881
  177    HB3  ASP  25           HB1      ASP  25   8.653   8.705  -1.257
  178    H    VAL  26           HN       VAL  26   5.342   8.436  -1.418
  179    HA   VAL  26           HA       VAL  26   5.465   5.948  -2.886
  180    HB   VAL  26           HB       VAL  26   3.653   6.764  -0.578
  181   HG11  VAL  26          HG11      VAL  26   3.362   4.364  -0.208
  182   HG12  VAL  26          HG12      VAL  26   4.365   4.025  -1.620
  183   HG13  VAL  26          HG13      VAL  26   2.817   4.845  -1.814
  184   HG21  VAL  26          HG21      VAL  26   5.955   6.931   0.135
  185   HG22  VAL  26          HG22      VAL  26   6.283   5.308  -0.466
  186   HG23  VAL  26          HG23      VAL  26   5.183   5.540   0.894
  187    H    LYS  27           HN       LYS  27   4.937   7.405  -4.742
  188    HA   LYS  27           HA       LYS  27   2.149   8.051  -4.909
  189    HB2  LYS  27           HB2      LYS  27   2.984   9.245  -6.923
  190    HB3  LYS  27           HB1      LYS  27   3.309   9.993  -5.363
  191    HG2  LYS  27           HG2      LYS  27   5.617   8.816  -5.647
  192    HG3  LYS  27           HG1      LYS  27   5.125   8.608  -7.329
  193    HD2  LYS  27           HD2      LYS  27   4.837  11.035  -7.540
  194    HD3  LYS  27           HD1      LYS  27   5.329  11.236  -5.858
  195    HE2  LYS  27           HE2      LYS  27   7.244  11.712  -7.161
  196    HE3  LYS  27           HE1      LYS  27   7.498  10.109  -6.483
  197    HZ1  LYS  27           HZ1      LYS  27   8.129   9.989  -8.730
  198    HZ2  LYS  27           HZ2      LYS  27   6.796  10.859  -9.237
  199    HZ3  LYS  27           HZ3      LYS  27   6.582   9.278  -8.764
  200    H    LEU  28           HN       LEU  28   1.356   7.930  -7.191
  201    HA   LEU  28           HA       LEU  28   0.783   5.295  -7.716
  202    HB2  LEU  28           HB2      LEU  28   0.559   7.648  -9.553
  203    HB3  LEU  28           HB1      LEU  28  -0.098   6.065  -9.930
  204    HG   LEU  28           HG       LEU  28  -0.895   7.723  -7.532
  205   HD11  LEU  28          HD11      LEU  28  -2.318   7.262 -10.138
  206   HD12  LEU  28          HD12      LEU  28  -1.614   8.789  -9.590
  207   HD13  LEU  28          HD13      LEU  28  -2.987   8.084  -8.730
  208   HD21  LEU  28          HD21      LEU  28  -2.715   6.117  -7.337
  209   HD22  LEU  28          HD22      LEU  28  -1.149   5.328  -7.192
  210   HD23  LEU  28          HD23      LEU  28  -2.063   5.201  -8.699
  211    H    ASP  29           HN       ASP  29   3.362   7.082  -9.201
  212    HA   ASP  29           HA       ASP  29   3.909   5.022 -11.187
  213    HB2  ASP  29           HB2      ASP  29   5.668   6.495 -11.983
  214    HB3  ASP  29           HB1      ASP  29   4.180   7.402 -11.759
  215    H    LYS  30           HN       LYS  30   4.349   4.490  -8.143
  216    HA   LYS  30           HA       LYS  30   7.200   3.864  -8.332
  217    HB2  LYS  30           HB2      LYS  30   5.680   4.940  -5.947
  218    HB3  LYS  30           HB1      LYS  30   7.367   4.434  -5.935
  219    HG2  LYS  30           HG2      LYS  30   6.575   6.488  -7.927
  220    HG3  LYS  30           HG1      LYS  30   6.631   6.979  -6.237
  221    HD2  LYS  30           HD2      LYS  30   8.926   5.595  -7.621
  222    HD3  LYS  30           HD1      LYS  30   8.757   7.357  -7.573
  223    HE2  LYS  30           HE2      LYS  30   8.622   7.224  -5.113
  224    HE3  LYS  30           HE1      LYS  30   8.903   5.497  -5.220
  225    HZ1  LYS  30           HZ1      LYS  30  10.848   7.531  -6.182
  226    HZ2  LYS  30           HZ2      LYS  30  11.096   5.845  -5.917
  227    HZ3  LYS  30           HZ3      LYS  30  10.770   6.892  -4.630
  228    H    SER  31           HN       SER  31   7.710   1.860  -7.774
  229    HA   SER  31           HA       SER  31   5.545   0.041  -7.074
  230    HB2  SER  31           HB2      SER  31   6.979  -0.428  -9.064
  231    HB3  SER  31           HB1      SER  31   8.362  -0.561  -7.990
  232    HG   SER  31           HG       SER  31   7.207  -2.546  -8.625
  233    H    PHE  32           HN       PHE  32   5.506  -1.101  -5.252
  234    HA   PHE  32           HA       PHE  32   6.892  -0.324  -2.938
  235    HB2  PHE  32           HB2      PHE  32   5.447  -2.926  -3.477
  236    HB3  PHE  32           HB1      PHE  32   6.085  -2.477  -1.906
  237    HD1  PHE  32           HD1      PHE  32   5.197  -0.314  -0.878
  238    HD2  PHE  32           HD2      PHE  32   3.324  -2.336  -4.104
  239    HE1  PHE  32           HE1      PHE  32   3.082   0.824  -0.348
  240    HE2  PHE  32           HE2      PHE  32   1.207  -1.196  -3.600
  241    HZ   PHE  32           HZ       PHE  32   1.082   0.383  -1.714
  242    H    THR  33           HN       THR  33   7.210  -3.643  -4.258
  243    HA   THR  33           HA       THR  33   9.796  -3.819  -3.054
  244    HB   THR  33           HB       THR  33   9.515  -6.225  -3.946
  245    HG1  THR  33           HG1      THR  33   7.513  -6.744  -4.684
  246   HG21  THR  33          HG21      THR  33   9.153  -5.589  -1.589
  247   HG22  THR  33          HG22      THR  33   7.975  -6.793  -2.107
  248   HG23  THR  33          HG23      THR  33   7.505  -5.096  -1.976
  249    H    ASP  34           HN       ASP  34  10.348  -2.063  -4.755
  250    HA   ASP  34           HA       ASP  34  12.138  -3.182  -6.649
  251    HB2  ASP  34           HB2      ASP  34  10.183  -3.520  -8.043
  252    HB3  ASP  34           HB1      ASP  34   9.680  -1.849  -7.809
  253    H    ASP  35           HN       ASP  35  10.182  -0.248  -6.056
  254    HA   ASP  35           HA       ASP  35  12.611   1.311  -6.565
  255    HB2  ASP  35           HB2      ASP  35  10.577   1.792  -7.934
  256    HB3  ASP  35           HB1      ASP  35   9.731   2.238  -6.460
  257    H    LEU  36           HN       LEU  36   9.782   1.148  -4.453
  258    HA   LEU  36           HA       LEU  36  10.745   3.065  -2.595
  259    HB2  LEU  36           HB2      LEU  36   8.610   0.973  -2.204
  260    HB3  LEU  36           HB1      LEU  36   8.860   2.393  -1.213
  261    HG   LEU  36           HG       LEU  36   7.943   2.361  -4.086
  262   HD11  LEU  36          HD11      LEU  36   5.846   3.208  -3.185
  263   HD12  LEU  36          HD12      LEU  36   6.488   3.061  -1.551
  264   HD13  LEU  36          HD13      LEU  36   6.239   1.616  -2.533
  265   HD21  LEU  36          HD21      LEU  36   7.627   4.784  -3.796
  266   HD22  LEU  36          HD22      LEU  36   9.304   4.279  -3.684
  267   HD23  LEU  36          HD23      LEU  36   8.412   4.685  -2.214
  268    H    ASP  37           HN       ASP  37  10.379  -0.443  -2.416
  269    HA   ASP  37           HA       ASP  37  11.055  -1.996  -1.048
  270    HB2  ASP  37           HB2      ASP  37  13.542  -0.326  -1.048
  271    HB3  ASP  37           HB1      ASP  37  13.425  -1.705   0.042
  272    H    VAL  38           HN       VAL  38   9.588  -2.031   0.306
  273    HA   VAL  38           HA       VAL  38   9.722  -0.223   2.611
  274    HB   VAL  38           HB       VAL  38   7.366  -1.992   1.891
  275   HG11  VAL  38          HG11      VAL  38   7.532   0.590   3.447
  276   HG12  VAL  38          HG12      VAL  38   7.332  -1.028   4.123
  277   HG13  VAL  38          HG13      VAL  38   6.059  -0.330   3.123
  278   HG21  VAL  38          HG21      VAL  38   7.830  -0.643  -0.084
  279   HG22  VAL  38          HG22      VAL  38   7.846   0.822   0.903
  280   HG23  VAL  38          HG23      VAL  38   6.353  -0.095   0.708
  281    H    ASP  39           HN       ASP  39  11.570  -2.147   2.557
  282    HA   ASP  39           HA       ASP  39  12.620  -3.718   3.815
  283    HB2  ASP  39           HB2      ASP  39  11.529  -2.319   5.659
  284    HB3  ASP  39           HB1      ASP  39  10.267  -3.555   5.641
  285    H    SER  40           HN       SER  40  10.345  -4.219   2.016
  286    HA   SER  40           HA       SER  40   9.169  -5.793   0.978
  287    HB2  SER  40           HB2      SER  40  10.273  -8.003   0.702
  288    HB3  SER  40           HB1      SER  40  11.334  -6.624   0.409
  289    H    LEU  41           HN       LEU  41  10.154  -7.795   3.690
  290    HA   LEU  41           HA       LEU  41   7.659  -9.147   3.745
  291    HB2  LEU  41           HB2      LEU  41   8.523 -10.156   5.900
  292    HB3  LEU  41           HB1      LEU  41   9.480 -10.426   4.466
  293    HG   LEU  41           HG       LEU  41  11.013  -8.578   5.259
  294   HD11  LEU  41          HD11      LEU  41   9.531  -8.897   7.858
  295   HD12  LEU  41          HD12      LEU  41   9.468  -7.497   6.804
  296   HD13  LEU  41          HD13      LEU  41  10.991  -7.929   7.590
  297   HD21  LEU  41          HD21      LEU  41  12.168 -10.010   6.877
  298   HD22  LEU  41          HD22      LEU  41  11.599 -10.920   5.476
  299   HD23  LEU  41          HD23      LEU  41  10.724 -11.013   7.005
  300    H    SER  42           HN       SER  42   8.783  -6.328   5.257
  301    HA   SER  42           HA       SER  42   6.829  -6.277   7.293
  302    HB2  SER  42           HB2      SER  42   8.697  -4.149   6.280
  303    HB3  SER  42           HB1      SER  42   7.604  -3.926   7.649
  304    HG   SER  42           HG       SER  42   9.997  -5.182   7.564
  305    H    MET  43           HN       MET  43   6.625  -5.749   3.999
  306    HA   MET  43           HA       MET  43   5.003  -3.553   3.969
  307    HB2  MET  43           HB2      MET  43   5.037  -3.770   1.723
  308    HB3  MET  43           HB1      MET  43   6.015  -5.199   1.933
  309    HG2  MET  43           HG2      MET  43   3.032  -5.191   1.766
  310    HG3  MET  43           HG1      MET  43   4.122  -5.462   0.417
  311    HE1  MET  43           HE1      MET  43   2.662  -7.533  -0.039
  312    HE2  MET  43           HE2      MET  43   1.694  -7.320   1.423
  313    HE3  MET  43           HE3      MET  43   2.442  -8.893   1.065
  314    H    VAL  44           HN       VAL  44   4.280  -6.773   4.865
  315    HA   VAL  44           HA       VAL  44   1.513  -6.781   4.479
  316    HB   VAL  44           HB       VAL  44   3.134  -8.297   6.558
  317   HG11  VAL  44          HG11      VAL  44   1.229  -9.835   6.705
  318   HG12  VAL  44          HG12      VAL  44   0.303  -8.796   5.620
  319   HG13  VAL  44          HG13      VAL  44   0.768  -8.208   7.215
  320   HG21  VAL  44          HG21      VAL  44   2.086  -9.102   3.853
  321   HG22  VAL  44          HG22      VAL  44   2.941 -10.158   4.981
  322   HG23  VAL  44          HG23      VAL  44   3.769  -8.769   4.266
  323    H    GLU  45           HN       GLU  45   3.525  -5.485   7.019
  324    HA   GLU  45           HA       GLU  45   1.395  -4.976   8.832
  325    HB2  GLU  45           HB2      GLU  45   4.143  -3.726   8.698
  326    HB3  GLU  45           HB1      GLU  45   3.045  -3.668  10.073
  327    HG2  GLU  45           HG2      GLU  45   3.158  -6.116  10.231
  328    HG3  GLU  45           HG1      GLU  45   4.310  -6.123   8.906
  329    H    VAL  46           HN       VAL  46   3.104  -3.182   6.344
  330    HA   VAL  46           HA       VAL  46   1.883  -0.702   6.480
  331    HB   VAL  46           HB       VAL  46   2.368  -2.245   3.902
  332   HG11  VAL  46          HG11      VAL  46   1.031  -0.252   3.538
  333   HG12  VAL  46          HG12      VAL  46   2.639  -0.034   2.858
  334   HG13  VAL  46          HG13      VAL  46   2.221   0.728   4.389
  335   HG21  VAL  46          HG21      VAL  46   4.383  -2.219   5.233
  336   HG22  VAL  46          HG22      VAL  46   4.257  -0.471   5.427
  337   HG23  VAL  46          HG23      VAL  46   4.559  -1.165   3.832
  338    H    VAL  47           HN       VAL  47   0.819  -3.598   4.727
  339    HA   VAL  47           HA       VAL  47  -1.687  -2.854   3.751
  340    HB   VAL  47           HB       VAL  47  -0.994  -5.548   4.952
  341   HG11  VAL  47          HG11      VAL  47  -2.604  -6.439   3.344
  342   HG12  VAL  47          HG12      VAL  47  -2.977  -4.800   2.809
  343   HG13  VAL  47          HG13      VAL  47  -3.360  -5.299   4.457
  344   HG21  VAL  47          HG21      VAL  47   0.716  -4.886   3.375
  345   HG22  VAL  47          HG22      VAL  47  -0.513  -4.534   2.160
  346   HG23  VAL  47          HG23      VAL  47  -0.263  -6.191   2.712
  347    H    VAL  48           HN       VAL  48  -1.098  -4.528   6.835
  348    HA   VAL  48           HA       VAL  48  -3.658  -4.474   7.884
  349    HB   VAL  48           HB       VAL  48  -1.035  -4.205   9.393
  350   HG11  VAL  48          HG11      VAL  48  -2.932  -3.614  10.816
  351   HG12  VAL  48          HG12      VAL  48  -2.232  -5.155  11.307
  352   HG13  VAL  48          HG13      VAL  48  -3.739  -5.122  10.388
  353   HG21  VAL  48          HG21      VAL  48  -1.102  -6.151   7.960
  354   HG22  VAL  48          HG22      VAL  48  -2.657  -6.629   8.642
  355   HG23  VAL  48          HG23      VAL  48  -1.209  -6.637   9.653
  356    H    ALA  49           HN       ALA  49  -1.153  -2.006   8.216
  357    HA   ALA  49           HA       ALA  49  -2.778  -0.265   9.784
  358    HB1  ALA  49           HB1      ALA  49  -0.205   0.329   8.339
  359    HB2  ALA  49           HB2      ALA  49  -0.331  -0.287   9.989
  360    HB3  ALA  49           HB3      ALA  49  -0.943   1.322   9.595
  361    H    ALA  50           HN       ALA  50  -2.216  -0.679   6.381
  362    HA   ALA  50           HA       ALA  50  -3.404   1.774   5.579
  363    HB1  ALA  50           HB1      ALA  50  -1.946   0.505   4.058
  364    HB2  ALA  50           HB2      ALA  50  -3.540   0.744   3.345
  365    HB3  ALA  50           HB3      ALA  50  -3.110  -0.817   4.040
  366    H    GLU  51           HN       GLU  51  -4.544  -1.465   6.260
  367    HA   GLU  51           HA       GLU  51  -7.185  -1.056   5.505
  368    HB2  GLU  51           HB2      GLU  51  -6.147  -2.817   7.716
  369    HB3  GLU  51           HB1      GLU  51  -7.769  -2.880   7.050
  370    HG2  GLU  51           HG2      GLU  51  -6.824  -3.508   4.882
  371    HG3  GLU  51           HG1      GLU  51  -5.215  -3.530   5.621
  372    H    GLU  52           HN       GLU  52  -5.361  -0.309   8.331
  373    HA   GLU  52           HA       GLU  52  -7.503   0.541   9.958
  374    HB2  GLU  52           HB2      GLU  52  -5.271  -0.145  10.774
  375    HB3  GLU  52           HB1      GLU  52  -4.588   1.310  10.066
  376    HG2  GLU  52           HG2      GLU  52  -5.955   2.665  11.557
  377    HG3  GLU  52           HG1      GLU  52  -6.618   1.192  12.270
  378    H    ARG  53           HN       ARG  53  -5.313   2.110   7.712
  379    HA   ARG  53           HA       ARG  53  -6.073   4.784   8.200
  380    HB2  ARG  53           HB2      ARG  53  -3.965   4.124   7.065
  381    HB3  ARG  53           HB1      ARG  53  -4.905   3.651   5.654
  382    HG2  ARG  53           HG2      ARG  53  -4.413   5.737   4.962
  383    HG3  ARG  53           HG1      ARG  53  -5.796   6.168   5.963
  384    HD2  ARG  53           HD2      ARG  53  -2.883   6.302   6.703
  385    HD3  ARG  53           HD1      ARG  53  -3.954   7.672   6.425
  386    HE   ARG  53           HE       ARG  53  -4.949   6.128   8.553
  387   HH11  ARG  53          HH11      ARG  53  -2.371   8.471   7.808
  388   HH12  ARG  53          HH12      ARG  53  -1.986   8.719   9.448
  389   HH21  ARG  53          HH21      ARG  53  -4.298   6.448  10.807
  390   HH22  ARG  53          HH22      ARG  53  -3.058   7.552  11.166
  391    H    PHE  54           HN       PHE  54  -7.039   2.535   5.564
  392    HA   PHE  54           HA       PHE  54  -8.978   4.564   4.628
  393    HB2  PHE  54           HB2      PHE  54  -8.464   1.955   3.232
  394    HB3  PHE  54           HB1      PHE  54  -9.052   3.467   2.567
  395    HD1  PHE  54           HD1      PHE  54  -7.282   5.452   3.103
  396    HD2  PHE  54           HD2      PHE  54  -6.410   1.343   2.490
  397    HE1  PHE  54           HE1      PHE  54  -5.007   6.050   2.325
  398    HE2  PHE  54           HE2      PHE  54  -4.150   1.918   1.730
  399    HZ   PHE  54           HZ       PHE  54  -3.374   4.167   1.787
  400    H    ASP  55           HN       ASP  55  -8.974   1.855   6.592
  401    HA   ASP  55           HA       ASP  55 -10.452   0.345   7.325
  402    HB2  ASP  55           HB2      ASP  55 -11.977   2.271   7.743
  403    HB3  ASP  55           HB1      ASP  55 -12.565   2.174   6.091
  404    H    VAL  56           HN       VAL  56  -9.211   0.158   4.766
  405    HA   VAL  56           HA       VAL  56 -11.107  -1.222   3.104
  406    HB   VAL  56           HB       VAL  56  -9.084   0.080   2.201
  407   HG11  VAL  56          HG11      VAL  56  -7.330  -0.744   3.616
  408   HG12  VAL  56          HG12      VAL  56  -6.972  -1.129   1.921
  409   HG13  VAL  56          HG13      VAL  56  -7.565  -2.381   2.990
  410   HG21  VAL  56          HG21      VAL  56  -9.494  -2.732   1.187
  411   HG22  VAL  56          HG22      VAL  56  -8.719  -1.425   0.290
  412   HG23  VAL  56          HG23      VAL  56 -10.421  -1.301   0.729
  413    H    LYS  57           HN       LYS  57 -10.357  -3.487   2.368
  414    HA   LYS  57           HA       LYS  57  -9.543  -5.063   4.707
  415    HB2  LYS  57           HB2      LYS  57 -12.095  -5.352   3.167
  416    HB3  LYS  57           HB1      LYS  57 -11.303  -6.812   3.723
  417    HG2  LYS  57           HG2      LYS  57 -12.977  -6.251   5.316
  418    HG3  LYS  57           HG1      LYS  57 -11.424  -5.898   6.050
  419    HD2  LYS  57           HD2      LYS  57 -12.963  -4.144   6.605
  420    HD3  LYS  57           HD1      LYS  57 -11.773  -3.500   5.478
  421    HE2  LYS  57           HE2      LYS  57 -13.360  -3.705   3.651
  422    HE3  LYS  57           HE1      LYS  57 -14.537  -4.457   4.730
  423    HZ1  LYS  57           HZ1      LYS  57 -14.998  -2.063   4.404
  424    HZ2  LYS  57           HZ2      LYS  57 -13.482  -1.687   5.043
  425    HZ3  LYS  57           HZ3      LYS  57 -14.634  -2.409   6.007
  426    H    ILE  58           HN       ILE  58  -7.683  -5.877   4.081
  427    HA   ILE  58           HA       ILE  58  -7.655  -7.486   1.654
  428    HB   ILE  58           HB       ILE  58  -5.269  -5.664   2.074
  429   HG12  ILE  58          HG12      ILE  58  -7.623  -4.990   0.272
  430   HG13  ILE  58          HG11      ILE  58  -7.273  -4.165   1.787
  431   HG21  ILE  58          HG21      ILE  58  -4.947  -6.140  -0.306
  432   HG22  ILE  58          HG22      ILE  58  -6.504  -6.950  -0.342
  433   HG23  ILE  58          HG23      ILE  58  -5.169  -7.662   0.587
  434   HD11  ILE  58          HD11      ILE  58  -5.145  -3.414   0.876
  435   HD12  ILE  58          HD12      ILE  58  -6.509  -2.878  -0.103
  436   HD13  ILE  58          HD13      ILE  58  -5.506  -4.226  -0.649
  437    HA   PRO  59           HA       PRO  59  -5.454  -9.738   4.970
  438    HB2  PRO  59           HB2      PRO  59  -5.806 -12.193   3.818
  439    HB3  PRO  59           HB1      PRO  59  -7.031 -11.421   4.836
  440    HG2  PRO  59           HG2      PRO  59  -6.844 -11.546   1.858
  441    HG3  PRO  59           HG1      PRO  59  -8.262 -11.750   2.903
  442    HD2  PRO  59           HD2      PRO  59  -7.753  -9.444   1.596
  443    HD3  PRO  59           HD1      PRO  59  -8.541  -9.483   3.188
  444    H    ASP  60           HN       ASP  60  -3.552 -11.233   4.814
  445    HA   ASP  60           HA       ASP  60  -1.682 -10.065   3.051
  446    HB2  ASP  60           HB2      ASP  60   0.039 -11.513   3.941
  447    HB3  ASP  60           HB1      ASP  60  -0.920 -10.849   5.251
  448    H    ASP  61           HN       ASP  61  -3.389 -13.104   2.882
  449    HA   ASP  61           HA       ASP  61  -1.951 -14.237   0.725
  450    HB2  ASP  61           HB2      ASP  61  -3.494 -15.578   2.040
  451    HB3  ASP  61           HB1      ASP  61  -4.843 -14.563   1.561
  452    H    ASP  62           HN       ASP  62  -4.373 -11.799   0.868
  453    HA   ASP  62           HA       ASP  62  -5.090 -11.913  -1.949
  454    HB2  ASP  62           HB2      ASP  62  -6.656 -11.291   0.013
  455    HB3  ASP  62           HB1      ASP  62  -5.783  -9.761   0.014
  456    H    VAL  63           HN       VAL  63  -3.329  -9.738   0.248
  457    HA   VAL  63           HA       VAL  63  -2.849  -7.724  -1.637
  458    HB   VAL  63           HB       VAL  63  -2.752  -7.276   0.778
  459   HG11  VAL  63          HG11      VAL  63  -0.807  -7.850   2.104
  460   HG12  VAL  63          HG12      VAL  63  -0.151  -8.769   0.748
  461   HG13  VAL  63          HG13      VAL  63  -1.649  -9.290   1.522
  462   HG21  VAL  63          HG21      VAL  63  -0.180  -6.624  -0.635
  463   HG22  VAL  63          HG22      VAL  63  -0.804  -5.799   0.791
  464   HG23  VAL  63          HG23      VAL  63  -1.684  -5.712  -0.738
  465    H    LYS  64           HN       LYS  64  -1.291 -10.683  -1.216
  466    HA   LYS  64           HA       LYS  64   1.306 -10.301  -2.124
  467    HB2  LYS  64           HB2      LYS  64  -0.547 -12.635  -2.554
  468    HB3  LYS  64           HB1      LYS  64   1.159 -12.666  -2.955
  469    HG2  LYS  64           HG2      LYS  64   1.757 -12.359  -0.655
  470    HG3  LYS  64           HG1      LYS  64   0.064 -12.138  -0.210
  471    HD2  LYS  64           HD2      LYS  64   0.844 -14.393   0.327
  472    HD3  LYS  64           HD1      LYS  64  -0.425 -14.426  -0.892
  473    HE2  LYS  64           HE2      LYS  64   1.326 -14.626  -2.639
  474    HE3  LYS  64           HE1      LYS  64   2.542 -14.708  -1.366
  475    HZ1  LYS  64           HZ1      LYS  64   1.534 -16.748  -0.561
  476    HZ2  LYS  64           HZ2      LYS  64   1.828 -16.887  -2.234
  477    HZ3  LYS  64           HZ3      LYS  64   0.279 -16.585  -1.677
  478    H    ASN  65           HN       ASN  65  -1.426  -9.567  -3.895
  479    HA   ASN  65           HA       ASN  65  -0.324 -10.311  -6.496
  480    HB2  ASN  65           HB2      ASN  65  -3.117  -9.499  -5.684
  481    HB3  ASN  65           HB1      ASN  65  -2.612  -9.837  -7.332
  482   HD21  ASN  65          HD21      ASN  65  -3.472 -11.177  -4.272
  483   HD22  ASN  65          HD22      ASN  65  -3.486 -12.833  -4.739
  484    H    LEU  66           HN       LEU  66   0.225  -7.799  -4.626
  485    HA   LEU  66           HA       LEU  66  -0.573  -5.772  -6.568
  486    HB2  LEU  66           HB2      LEU  66   0.637  -5.346  -3.833
  487    HB3  LEU  66           HB1      LEU  66  -0.024  -4.110  -4.887
  488    HG   LEU  66           HG       LEU  66  -1.497  -6.231  -3.361
  489   HD11  LEU  66          HD11      LEU  66  -1.699  -3.240  -3.371
  490   HD12  LEU  66          HD12      LEU  66  -0.958  -4.250  -2.126
  491   HD13  LEU  66          HD13      LEU  66  -2.695  -4.345  -2.420
  492   HD21  LEU  66          HD21      LEU  66  -2.435  -6.140  -5.602
  493   HD22  LEU  66          HD22      LEU  66  -2.669  -4.387  -5.440
  494   HD23  LEU  66          HD23      LEU  66  -3.533  -5.512  -4.386
  495    H    LYS  67           HN       LYS  67   1.130  -3.925  -6.892
  496    HA   LYS  67           HA       LYS  67   3.827  -4.987  -7.076
  497    HB2  LYS  67           HB2      LYS  67   2.676  -5.415  -9.136
  498    HB3  LYS  67           HB1      LYS  67   2.096  -3.764  -9.190
  499    HG2  LYS  67           HG2      LYS  67   4.521  -3.101  -9.318
  500    HG3  LYS  67           HG1      LYS  67   4.840  -4.813  -9.681
  501    HD2  LYS  67           HD2      LYS  67   2.996  -4.628 -11.390
  502    HD3  LYS  67           HD1      LYS  67   3.088  -2.881 -11.112
  503    HE2  LYS  67           HE2      LYS  67   5.322  -4.630 -11.889
  504    HE3  LYS  67           HE1      LYS  67   4.346  -3.701 -13.051
  505    HZ1  LYS  67           HZ1      LYS  67   6.266  -2.707 -10.996
  506    HZ2  LYS  67           HZ2      LYS  67   5.105  -1.690 -11.687
  507    HZ3  LYS  67           HZ3      LYS  67   6.256  -2.388 -12.651
  508    H    THR  68           HN       THR  68   2.026  -2.109  -8.245
  509    HA   THR  68           HA       THR  68   3.921  -0.376  -6.822
  510    HB   THR  68           HB       THR  68   3.160   1.386  -8.362
  511    HG1  THR  68           HG1      THR  68   1.514  -0.652  -9.538
  512   HG21  THR  68          HG21      THR  68   4.998  -0.029  -9.127
  513   HG22  THR  68          HG22      THR  68   3.993   0.482 -10.488
  514   HG23  THR  68          HG23      THR  68   3.845  -1.154  -9.847
  515    H    VAL  69           HN       VAL  69   2.561   1.887  -6.444
  516    HA   VAL  69           HA       VAL  69   0.308   1.009  -4.908
  517    HB   VAL  69           HB       VAL  69   0.013   3.168  -3.989
  518   HG11  VAL  69          HG11      VAL  69   2.935   2.608  -4.153
  519   HG12  VAL  69          HG12      VAL  69   1.745   1.953  -3.009
  520   HG13  VAL  69          HG13      VAL  69   2.130   3.674  -2.988
  521   HG21  VAL  69          HG21      VAL  69   0.252   4.513  -5.950
  522   HG22  VAL  69          HG22      VAL  69   1.985   4.195  -5.983
  523   HG23  VAL  69          HG23      VAL  69   1.285   5.127  -4.661
  524    H    GLY  70           HN       GLY  70   0.837   1.865  -8.069
  525    HA2  GLY  70           HA2      GLY  70  -1.634   3.152  -8.630
  526    HA3  GLY  70           HA1      GLY  70  -0.624   2.261  -9.785
  527    H    ASP  71           HN       ASP  71  -0.386  -0.081  -8.677
  528    HA   ASP  71           HA       ASP  71  -2.689  -1.592  -9.186
  529    HB2  ASP  71           HB2      ASP  71  -0.372  -2.236  -7.336
  530    HB3  ASP  71           HB1      ASP  71  -1.585  -3.391  -7.856
  531    H    ALA  72           HN       ALA  72  -1.174  -0.723  -6.123
  532    HA   ALA  72           HA       ALA  72  -3.031  -1.760  -4.382
  533    HB1  ALA  72           HB1      ALA  72  -2.081  -0.344  -2.670
  534    HB2  ALA  72           HB2      ALA  72  -1.356   0.695  -3.901
  535    HB3  ALA  72           HB3      ALA  72  -0.808  -0.972  -3.715
  536    H    THR  73           HN       THR  73  -2.981   1.555  -5.672
  537    HA   THR  73           HA       THR  73  -5.024   2.603  -4.183
  538    HB   THR  73           HB       THR  73  -4.307   3.278  -7.057
  539    HG1  THR  73           HG1      THR  73  -2.604   3.574  -5.620
  540   HG21  THR  73          HG21      THR  73  -5.867   4.909  -5.025
  541   HG22  THR  73          HG22      THR  73  -6.539   4.188  -6.482
  542   HG23  THR  73          HG23      THR  73  -5.359   5.488  -6.606
  543    H    LYS  74           HN       LYS  74  -5.302   1.234  -7.489
  544    HA   LYS  74           HA       LYS  74  -8.117   1.427  -7.637
  545    HB2  LYS  74           HB2      LYS  74  -6.120  -0.188  -9.217
  546    HB3  LYS  74           HB1      LYS  74  -7.844  -0.296  -9.515
  547    HG2  LYS  74           HG2      LYS  74  -6.787   1.161 -11.107
  548    HG3  LYS  74           HG1      LYS  74  -7.898   2.066 -10.071
  549    HD2  LYS  74           HD2      LYS  74  -6.030   2.934  -8.782
  550    HD3  LYS  74           HD1      LYS  74  -4.903   1.937  -9.691
  551    HE2  LYS  74           HE2      LYS  74  -6.582   4.170 -10.825
  552    HE3  LYS  74           HE1      LYS  74  -4.873   4.281 -10.409
  553    HZ1  LYS  74           HZ1      LYS  74  -6.093   2.637 -12.568
  554    HZ2  LYS  74           HZ2      LYS  74  -4.530   2.405 -12.013
  555    HZ3  LYS  74           HZ3      LYS  74  -4.951   3.884 -12.702
  556    H    TYR  75           HN       TYR  75  -5.947  -0.997  -6.509
  557    HA   TYR  75           HA       TYR  75  -7.765  -3.121  -6.428
  558    HB2  TYR  75           HB2      TYR  75  -5.250  -3.190  -6.406
  559    HB3  TYR  75           HB1      TYR  75  -5.329  -2.710  -4.721
  560    HD1  TYR  75           HD1      TYR  75  -6.119  -5.387  -7.117
  561    HD2  TYR  75           HD2      TYR  75  -5.802  -4.242  -3.044
  562    HE1  TYR  75           HE1      TYR  75  -6.376  -7.713  -6.467
  563    HE2  TYR  75           HE2      TYR  75  -6.064  -6.569  -2.350
  564    HH   TYR  75           HH       TYR  75  -5.977  -9.128  -4.622
  565    H    ILE  76           HN       ILE  76  -6.654  -0.726  -4.124
  566    HA   ILE  76           HA       ILE  76  -8.259  -1.570  -1.896
  567    HB   ILE  76           HB       ILE  76  -6.718   0.963  -2.528
  568   HG12  ILE  76          HG12      ILE  76  -6.213  -1.183  -0.462
  569   HG13  ILE  76          HG11      ILE  76  -5.433  -1.096  -2.036
  570   HG21  ILE  76          HG21      ILE  76  -8.534   1.645  -1.202
  571   HG22  ILE  76          HG22      ILE  76  -7.083   1.656  -0.186
  572   HG23  ILE  76          HG23      ILE  76  -8.278   0.355  -0.025
  573   HD11  ILE  76          HD11      ILE  76  -4.433   1.018  -1.428
  574   HD12  ILE  76          HD12      ILE  76  -4.003  -0.253  -0.274
  575   HD13  ILE  76          HD13      ILE  76  -5.235   0.954   0.142
  576    H    LEU  77           HN       LEU  77  -8.701   0.778  -4.462
  577    HA   LEU  77           HA       LEU  77 -11.099   1.755  -3.531
  578    HB2  LEU  77           HB2      LEU  77 -10.182   1.324  -6.391
  579    HB3  LEU  77           HB1      LEU  77 -11.655   2.179  -6.003
  580    HG   LEU  77           HG       LEU  77  -8.912   3.076  -5.115
  581   HD11  LEU  77          HD11      LEU  77  -9.087   3.107  -7.559
  582   HD12  LEU  77          HD12      LEU  77  -9.098   4.743  -6.897
  583   HD13  LEU  77          HD13      LEU  77 -10.603   3.996  -7.437
  584   HD21  LEU  77          HD21      LEU  77 -11.586   4.452  -5.187
  585   HD22  LEU  77          HD22      LEU  77 -10.056   5.177  -4.695
  586   HD23  LEU  77          HD23      LEU  77 -10.760   3.874  -3.741
  587    H    ASP  78           HN       ASP  78 -10.319  -0.994  -5.570
  588    HA   ASP  78           HA       ASP  78 -12.852  -2.067  -6.107
  589    HB2  ASP  78           HB2      ASP  78 -10.888  -2.759  -7.337
  590    HB3  ASP  78           HB1      ASP  78 -10.144  -3.388  -5.875
  591    H    HIS  79           HN       HIS  79 -10.550  -2.768  -3.536
  592    HA   HIS  79           HA       HIS  79 -12.394  -4.561  -2.274
  593    HB2  HIS  79           HB2      HIS  79  -9.562  -3.877  -1.707
  594    HB3  HIS  79           HB1      HIS  79 -10.538  -4.651  -0.455
  595    HD1  HIS  79           HD1      HIS  79 -11.445  -7.049  -0.947
  596    HD2  HIS  79           HD2      HIS  79  -8.900  -5.543  -3.879
  597    HE1  HIS  79           HE1      HIS  79 -10.845  -8.985  -2.374
  598    HE2  HIS  79           HE2      HIS  79  -9.197  -8.146  -4.010
  599    H    GLN  80           HN       GLN  80 -12.456  -1.380  -2.286
  600    HA   GLN  80           HA       GLN  80 -12.921  -0.667   0.399
  601    HB2  GLN  80           HB2      GLN  80 -14.052   0.374  -2.163
  602    HB3  GLN  80           HB1      GLN  80 -14.474   1.050  -0.564
  603    HG2  GLN  80           HG2      GLN  80 -11.766   0.962  -1.760
  604    HG3  GLN  80           HG1      GLN  80 -12.863   2.349  -1.775
  605   HE21  GLN  80          HE21      GLN  80 -10.357   2.112  -0.610
  606   HE22  GLN  80          HE22      GLN  80 -10.597   2.394   1.094
  607    H    ALA  81           HN       ALA  81 -14.687  -0.738   1.595
  608    HA   ALA  81           HA       ALA  81 -17.196  -1.745   0.704
  609    HB1  ALA  81           HB1      ALA  81 -15.977  -3.866   0.907
  610    HB2  ALA  81           HB2      ALA  81 -17.188  -3.725   2.180
  611    HB3  ALA  81           HB3      ALA  81 -15.485  -3.436   2.547
  612    H2   SOO 101           H2A      SOO 101   4.237  -4.798  -1.288
  613    H3   SOO 101           H3A      SOO 101   1.242  -5.221  -1.882
  614    H4   SOO 101           H4A      SOO 101   2.290  -3.970   0.498
  615    H4A  SOO 101           H4B      SOO 101   2.632  -2.815  -0.792
  616    H5   SOO 101           H5A      SOO 101  -0.082  -3.962  -0.155
  617    H5A  SOO 101           H5B      SOO 101   0.275  -2.743  -1.377
  618    H6   SOO 101           H6A      SOO 101   1.104  -1.253   0.434
  619    H6A  SOO 101           H6B      SOO 101   0.565  -2.450   1.610
  620    H7   SOO 101           H7A      SOO 101  -1.221  -1.031  -0.386
  621    H7A  SOO 101           H7B      SOO 101  -1.102  -0.653   1.340
  622    H8   SOO 101           H8C      SOO 101  -2.008  -3.272   0.145
  623    H8A  SOO 101           H8A      SOO 101  -3.052  -2.043   0.854
  624    H8B  SOO 101           H8B      SOO 101  -1.900  -2.911   1.868
  625    H28  SOO 101          H28A      SOO 101  10.916 -10.952   2.792
  626   H28A  SOO 101          H28B      SOO 101   9.880  -9.683   2.140
  627    H30  SOO 101          H30A      SOO 101  10.387 -10.626  -0.794
  628   H30A  SOO 101          H30B      SOO 101   8.856 -10.028  -0.152
  629   H30B  SOO 101          H30C      SOO 101   8.932 -11.619  -0.907
  630    H31  SOO 101          H31A      SOO 101  10.172 -13.514   0.303
  631   H31A  SOO 101          H31B      SOO 101  10.931 -13.181   1.857
  632   H31B  SOO 101          H31C      SOO 101  11.605 -12.486   0.382
  633    H32  SOO 101          H32A      SOO 101   8.691 -12.425   2.753
  634   HO33  SOO 101          H33A      SOO 101   7.556 -10.278   1.332
  635   HN36  SOO 101          H36A      SOO 101   6.144 -11.990   2.015
  636    H37  SOO 101          H37A      SOO 101   5.443 -13.958  -0.103
  637   H37A  SOO 101          H37B      SOO 101   4.809 -14.098   1.524
  638    H38  SOO 101          H38A      SOO 101   3.128 -13.073   0.323
  639   H38A  SOO 101          H38B      SOO 101   3.855 -11.769   1.301
  640   HN41  SOO 101          H41A      SOO 101   3.760 -10.002   0.166
  641    H42  SOO 101          H42A      SOO 101   4.459  -9.956  -2.685
  642   H42A  SOO 101          H42B      SOO 101   3.110  -9.038  -2.021
  643    H43  SOO 101          H43A      SOO 101   6.022  -8.661  -1.296
  644   H43A  SOO 101          H43B      SOO 101   4.651  -7.800  -0.584
  Start of MODEL    3
    1    H1   ALA   1           HT1      ALA   1 -16.063   4.791   2.017
    2    H2   ALA   1           HT2      ALA   1 -14.717   3.910   2.500
    3    H3   ALA   1           HT3      ALA   1 -16.036   3.088   1.805
    4    HA   ALA   1           HA       ALA   1 -14.272   3.291   0.236
    5    HB1  ALA   1           HB1      ALA   1 -16.541   3.596  -0.645
    6    HB2  ALA   1           HB2      ALA   1 -15.364   4.559  -1.540
    7    HB3  ALA   1           HB3      ALA   1 -16.417   5.331  -0.356
    8    H    ALA   2           HN       ALA   2 -12.822   4.627  -0.930
    9    HA   ALA   2           HA       ALA   2 -12.242   7.240   0.224
   10    HB1  ALA   2           HB1      ALA   2 -10.232   4.995  -0.065
   11    HB2  ALA   2           HB2      ALA   2 -10.847   5.640   1.455
   12    HB3  ALA   2           HB3      ALA   2  -9.855   6.654   0.403
   13    H    THR   3           HN       THR   3 -10.270   8.072  -1.137
   14    HA   THR   3           HA       THR   3 -10.815   7.505  -3.970
   15    HB   THR   3           HB       THR   3 -10.086   9.864  -4.367
   16    HG1  THR   3           HG1      THR   3 -10.292  10.045  -1.539
   17   HG21  THR   3          HG21      THR   3 -12.281   9.570  -2.337
   18   HG22  THR   3          HG22      THR   3 -12.485   9.344  -4.086
   19   HG23  THR   3          HG23      THR   3 -12.070  10.939  -3.426
   20    H    GLN   4           HN       GLN   4  -8.816   8.288  -5.371
   21    HA   GLN   4           HA       GLN   4  -6.544   6.835  -4.720
   22    HB2  GLN   4           HB2      GLN   4  -7.005   7.221  -6.994
   23    HB3  GLN   4           HB1      GLN   4  -7.278   8.923  -6.750
   24    HG2  GLN   4           HG2      GLN   4  -4.523   7.773  -6.448
   25    HG3  GLN   4           HG1      GLN   4  -5.181   8.134  -8.044
   26   HE21  GLN   4          HE21      GLN   4  -2.920   9.393  -6.676
   27   HE22  GLN   4          HE22      GLN   4  -3.337  11.066  -6.537
   28    H    GLU   5           HN       GLU   5  -7.421  10.144  -4.243
   29    HA   GLU   5           HA       GLU   5  -4.919  11.207  -3.507
   30    HB2  GLU   5           HB2      GLU   5  -7.646  12.085  -2.561
   31    HB3  GLU   5           HB1      GLU   5  -6.174  13.040  -2.506
   32    HG2  GLU   5           HG2      GLU   5  -6.087  13.027  -4.948
   33    HG3  GLU   5           HG1      GLU   5  -7.582  12.090  -4.987
   34    H    GLU   6           HN       GLU   6  -7.366   9.502  -1.687
   35    HA   GLU   6           HA       GLU   6  -6.176  10.084   0.830
   36    HB2  GLU   6           HB2      GLU   6  -8.374   8.205   0.025
   37    HB3  GLU   6           HB1      GLU   6  -7.856   8.454   1.690
   38    HG2  GLU   6           HG2      GLU   6  -8.508  10.713   1.661
   39    HG3  GLU   6           HG1      GLU   6  -8.724  10.700  -0.087
   40    H    ILE   7           HN       ILE   7  -6.293   7.414  -1.407
   41    HA   ILE   7           HA       ILE   7  -4.985   5.497   0.187
   42    HB   ILE   7           HB       ILE   7  -5.324   5.703  -2.814
   43   HG12  ILE   7          HG12      ILE   7  -6.723   4.013  -0.732
   44   HG13  ILE   7          HG11      ILE   7  -7.366   5.491  -1.427
   45   HG21  ILE   7          HG21      ILE   7  -4.338   3.348  -1.184
   46   HG22  ILE   7          HG22      ILE   7  -3.363   4.302  -2.302
   47   HG23  ILE   7          HG23      ILE   7  -4.700   3.325  -2.911
   48   HD11  ILE   7          HD11      ILE   7  -7.434   4.444  -3.609
   49   HD12  ILE   7          HD12      ILE   7  -8.344   3.507  -2.425
   50   HD13  ILE   7          HD13      ILE   7  -6.743   2.971  -2.934
   51    H    VAL   8           HN       VAL   8  -3.729   7.379  -2.541
   52    HA   VAL   8           HA       VAL   8  -1.082   6.542  -2.367
   53    HB   VAL   8           HB       VAL   8  -2.269   9.113  -3.464
   54   HG11  VAL   8          HG11      VAL   8   0.440   7.900  -3.990
   55   HG12  VAL   8          HG12      VAL   8   0.127   9.395  -3.098
   56   HG13  VAL   8          HG13      VAL   8  -0.255   9.294  -4.818
   57   HG21  VAL   8          HG21      VAL   8  -1.538   6.496  -4.747
   58   HG22  VAL   8          HG22      VAL   8  -2.059   7.933  -5.617
   59   HG23  VAL   8          HG23      VAL   8  -3.166   7.128  -4.499
   60    H    ALA   9           HN       ALA   9  -2.369   9.703  -1.264
   61    HA   ALA   9           HA       ALA   9  -0.053  10.498   0.091
   62    HB1  ALA   9           HB1      ALA   9  -1.431  12.201   1.153
   63    HB2  ALA   9           HB2      ALA   9  -2.892  11.347   0.653
   64    HB3  ALA   9           HB3      ALA   9  -1.827  12.053  -0.560
   65    H    GLY  10           HN       GLY  10  -2.746   8.522   1.175
   66    HA2  GLY  10           HA2      GLY  10  -2.126   8.662   3.955
   67    HA3  GLY  10           HA1      GLY  10  -3.211   7.518   3.175
   68    H    LEU  11           HN       LEU  11  -1.488   6.269   1.390
   69    HA   LEU  11           HA       LEU  11  -0.289   4.297   2.851
   70    HB2  LEU  11           HB2      LEU  11  -0.349   5.155   0.101
   71    HB3  LEU  11           HB1      LEU  11   1.161   4.365   0.495
   72    HG   LEU  11           HG       LEU  11  -1.631   3.228   0.850
   73   HD11  LEU  11          HD11      LEU  11  -0.939   3.334  -1.479
   74   HD12  LEU  11          HD12      LEU  11  -0.975   1.666  -0.908
   75   HD13  LEU  11          HD13      LEU  11   0.566   2.507  -1.083
   76   HD21  LEU  11          HD21      LEU  11  -0.129   2.441   2.594
   77   HD22  LEU  11          HD22      LEU  11   1.069   1.998   1.393
   78   HD23  LEU  11          HD23      LEU  11  -0.474   1.136   1.454
   79    H    ALA  12           HN       ALA  12   1.136   7.171   1.473
   80    HA   ALA  12           HA       ALA  12   3.787   6.558   1.970
   81    HB1  ALA  12           HB1      ALA  12   4.258   8.849   1.737
   82    HB2  ALA  12           HB2      ALA  12   2.543   9.274   1.937
   83    HB3  ALA  12           HB3      ALA  12   3.086   8.332   0.525
   84    H    GLU  13           HN       GLU  13   1.364   7.763   4.161
   85    HA   GLU  13           HA       GLU  13   3.143   8.681   6.170
   86    HB2  GLU  13           HB2      GLU  13   0.338   7.606   6.484
   87    HB3  GLU  13           HB1      GLU  13   1.214   8.565   7.663
   88    HG2  GLU  13           HG2      GLU  13   1.246  10.436   6.047
   89    HG3  GLU  13           HG1      GLU  13   0.249   9.463   4.963
   90    H    ILE  14           HN       ILE  14   1.310   5.692   5.775
   91    HA   ILE  14           HA       ILE  14   2.440   4.374   8.020
   92    HB   ILE  14           HB       ILE  14   0.987   3.206   5.608
   93   HG12  ILE  14          HG12      ILE  14  -0.836   2.760   7.311
   94   HG13  ILE  14          HG11      ILE  14   0.080   3.732   8.448
   95   HG21  ILE  14          HG21      ILE  14   0.770   1.126   6.876
   96   HG22  ILE  14          HG22      ILE  14   1.807   1.798   8.133
   97   HG23  ILE  14          HG23      ILE  14   2.452   1.517   6.515
   98   HD11  ILE  14          HD11      ILE  14  -0.203   5.672   6.994
   99   HD12  ILE  14          HD12      ILE  14  -1.752   4.977   7.474
  100   HD13  ILE  14          HD13      ILE  14  -1.115   4.680   5.856
  101    H    VAL  15           HN       VAL  15   3.196   4.370   4.583
  102    HA   VAL  15           HA       VAL  15   5.234   2.487   4.611
  103    HB   VAL  15           HB       VAL  15   4.831   4.890   2.806
  104   HG11  VAL  15          HG11      VAL  15   6.490   3.876   1.303
  105   HG12  VAL  15          HG12      VAL  15   6.849   2.652   2.528
  106   HG13  VAL  15          HG13      VAL  15   7.201   4.354   2.842
  107   HG21  VAL  15          HG21      VAL  15   4.158   3.182   1.179
  108   HG22  VAL  15          HG22      VAL  15   3.153   3.135   2.626
  109   HG23  VAL  15          HG23      VAL  15   4.413   1.927   2.395
  110    H    ASN  16           HN       ASN  16   5.294   5.908   5.290
  111    HA   ASN  16           HA       ASN  16   8.086   6.190   5.555
  112    HB2  ASN  16           HB2      ASN  16   6.425   8.028   5.272
  113    HB3  ASN  16           HB1      ASN  16   5.955   7.792   6.948
  114   HD21  ASN  16          HD21      ASN  16   8.457   8.743   4.813
  115   HD22  ASN  16          HD22      ASN  16   9.362   9.701   5.933
  116    H    GLU  17           HN       GLU  17   5.627   5.129   7.763
  117    HA   GLU  17           HA       GLU  17   7.198   5.297  10.143
  118    HB2  GLU  17           HB2      GLU  17   4.787   3.563   9.580
  119    HB3  GLU  17           HB1      GLU  17   5.432   3.966  11.162
  120    HG2  GLU  17           HG2      GLU  17   4.256   5.920   9.205
  121    HG3  GLU  17           HG1      GLU  17   3.416   5.229  10.588
  122    H    ILE  18           HN       ILE  18   6.018   2.565   8.306
  123    HA   ILE  18           HA       ILE  18   7.642   0.694   9.740
  124    HB   ILE  18           HB       ILE  18   5.754   0.312   7.411
  125   HG12  ILE  18          HG12      ILE  18   5.409  -0.032  10.399
  126   HG13  ILE  18          HG11      ILE  18   4.777   1.301   9.447
  127   HG21  ILE  18          HG21      ILE  18   6.961  -1.704   9.325
  128   HG22  ILE  18          HG22      ILE  18   7.368  -1.549   7.617
  129   HG23  ILE  18          HG23      ILE  18   5.746  -2.050   8.095
  130   HD11  ILE  18          HD11      ILE  18   3.995  -1.584   9.203
  131   HD12  ILE  18          HD12      ILE  18   3.352  -0.254   8.240
  132   HD13  ILE  18          HD13      ILE  18   3.061  -0.306   9.979
  133    H    ALA  19           HN       ALA  19   7.613   1.840   6.350
  134    HA   ALA  19           HA       ALA  19   9.942   0.182   5.804
  135    HB1  ALA  19           HB1      ALA  19   9.626   0.813   3.484
  136    HB2  ALA  19           HB2      ALA  19   8.370   1.966   3.963
  137    HB3  ALA  19           HB3      ALA  19   8.115   0.236   4.201
  138    H    GLY  20           HN       GLY  20   9.076   3.575   6.008
  139    HA2  GLY  20           HA2      GLY  20  10.566   5.266   6.754
  140    HA3  GLY  20           HA1      GLY  20  11.917   4.223   6.328
  141    H    ILE  21           HN       ILE  21   9.231   4.913   4.225
  142    HA   ILE  21           HA       ILE  21  11.112   6.216   2.388
  143    HB   ILE  21           HB       ILE  21   8.479   4.797   1.870
  144   HG12  ILE  21          HG12      ILE  21  10.313   3.267   2.354
  145   HG13  ILE  21          HG11      ILE  21   9.815   3.133   0.675
  146   HG21  ILE  21          HG21      ILE  21   8.675   6.628   0.306
  147   HG22  ILE  21          HG22      ILE  21   8.886   5.083  -0.522
  148   HG23  ILE  21          HG23      ILE  21  10.290   6.088  -0.155
  149   HD11  ILE  21          HD11      ILE  21  12.236   3.026   0.909
  150   HD12  ILE  21          HD12      ILE  21  12.239   4.613   1.680
  151   HD13  ILE  21          HD13      ILE  21  11.750   4.453  -0.006
  152    HA   PRO  22           HA       PRO  22   9.527  10.261   3.145
  153    HB2  PRO  22           HB2      PRO  22   9.329  10.701   0.279
  154    HB3  PRO  22           HB1      PRO  22  10.435  11.421   1.444
  155    HG2  PRO  22           HG2      PRO  22  10.876   9.205  -0.389
  156    HG3  PRO  22           HG1      PRO  22  12.060  10.113   0.561
  157    HD2  PRO  22           HD2      PRO  22  11.379   7.502   1.024
  158    HD3  PRO  22           HD1      PRO  22  11.997   8.582   2.283
  159    H    VAL  23           HN       VAL  23   7.650  11.319   3.234
  160    HA   VAL  23           HA       VAL  23   5.227   9.827   2.666
  161    HB   VAL  23           HB       VAL  23   4.063  11.689   3.840
  162   HG11  VAL  23          HG11      VAL  23   6.481  10.636   5.288
  163   HG12  VAL  23          HG12      VAL  23   4.931   9.812   5.127
  164   HG13  VAL  23          HG13      VAL  23   5.039  11.318   6.041
  165   HG21  VAL  23          HG21      VAL  23   5.440  13.462   4.890
  166   HG22  VAL  23          HG22      VAL  23   5.490  13.486   3.116
  167   HG23  VAL  23          HG23      VAL  23   6.839  12.813   4.010
  168    H    GLU  24           HN       GLU  24   6.808  11.146   0.536
  169    HA   GLU  24           HA       GLU  24   4.584  12.471  -0.863
  170    HB2  GLU  24           HB2      GLU  24   6.183  14.127  -1.725
  171    HB3  GLU  24           HB1      GLU  24   6.071  14.203   0.029
  172    HG2  GLU  24           HG2      GLU  24   8.134  12.876   0.209
  173    HG3  GLU  24           HG1      GLU  24   8.249  12.849  -1.548
  174    H    ASP  25           HN       ASP  25   6.502   9.907  -0.708
  175    HA   ASP  25           HA       ASP  25   7.440  10.021  -3.479
  176    HB2  ASP  25           HB2      ASP  25   9.173  10.034  -1.799
  177    HB3  ASP  25           HB1      ASP  25   8.556   8.558  -1.099
  178    H    VAL  26           HN       VAL  26   5.166   8.517  -1.484
  179    HA   VAL  26           HA       VAL  26   5.302   5.994  -2.885
  180    HB   VAL  26           HB       VAL  26   3.453   6.925  -0.646
  181   HG11  VAL  26          HG11      VAL  26   2.498   5.090  -1.950
  182   HG12  VAL  26          HG12      VAL  26   2.953   4.548  -0.334
  183   HG13  VAL  26          HG13      VAL  26   3.974   4.154  -1.718
  184   HG21  VAL  26          HG21      VAL  26   4.851   5.564   0.836
  185   HG22  VAL  26          HG22      VAL  26   5.758   6.883   0.094
  186   HG23  VAL  26          HG23      VAL  26   5.944   5.236  -0.511
  187    H    LYS  27           HN       LYS  27   4.918   7.111  -4.787
  188    HA   LYS  27           HA       LYS  27   2.258   8.254  -5.152
  189    HB2  LYS  27           HB2      LYS  27   4.755   8.505  -6.820
  190    HB3  LYS  27           HB1      LYS  27   3.194   9.237  -7.177
  191    HG2  LYS  27           HG2      LYS  27   3.305  10.568  -5.159
  192    HG3  LYS  27           HG1      LYS  27   4.845   9.821  -4.735
  193    HD2  LYS  27           HD2      LYS  27   5.139  12.041  -5.757
  194    HD3  LYS  27           HD1      LYS  27   5.878  10.763  -6.724
  195    HE2  LYS  27           HE2      LYS  27   4.710  12.323  -8.167
  196    HE3  LYS  27           HE1      LYS  27   3.906  10.758  -8.191
  197    HZ1  LYS  27           HZ1      LYS  27   3.045  13.165  -6.687
  198    HZ2  LYS  27           HZ2      LYS  27   2.278  11.688  -6.567
  199    HZ3  LYS  27           HZ3      LYS  27   2.288  12.526  -8.042
  200    H    LEU  28           HN       LEU  28   1.370   7.926  -7.391
  201    HA   LEU  28           HA       LEU  28   0.476   5.403  -7.667
  202    HB2  LEU  28           HB2      LEU  28   0.623   7.561  -9.742
  203    HB3  LEU  28           HB1      LEU  28  -0.175   6.031 -10.043
  204    HG   LEU  28           HG       LEU  28  -0.943   7.961  -7.835
  205   HD11  LEU  28          HD11      LEU  28  -2.934   8.395  -9.169
  206   HD12  LEU  28          HD12      LEU  28  -2.302   7.376 -10.461
  207   HD13  LEU  28          HD13      LEU  28  -1.473   8.882 -10.035
  208   HD21  LEU  28          HD21      LEU  28  -2.286   5.458  -8.845
  209   HD22  LEU  28          HD22      LEU  28  -2.917   6.546  -7.605
  210   HD23  LEU  28          HD23      LEU  28  -1.440   5.633  -7.309
  211    H    ASP  29           HN       ASP  29   3.201   6.619  -9.685
  212    HA   ASP  29           HA       ASP  29   3.504   3.800 -10.361
  213    HB2  ASP  29           HB2      ASP  29   3.245   5.301 -12.332
  214    HB3  ASP  29           HB1      ASP  29   4.751   6.100 -11.882
  215    H    LYS  30           HN       LYS  30   4.241   3.816  -8.142
  216    HA   LYS  30           HA       LYS  30   7.160   3.700  -8.139
  217    HB2  LYS  30           HB2      LYS  30   5.302   4.552  -5.891
  218    HB3  LYS  30           HB1      LYS  30   7.030   4.276  -5.712
  219    HG2  LYS  30           HG2      LYS  30   5.875   6.337  -7.575
  220    HG3  LYS  30           HG1      LYS  30   6.321   6.676  -5.899
  221    HD2  LYS  30           HD2      LYS  30   8.219   5.518  -7.932
  222    HD3  LYS  30           HD1      LYS  30   8.070   7.251  -7.608
  223    HE2  LYS  30           HE2      LYS  30   8.628   6.906  -5.310
  224    HE3  LYS  30           HE1      LYS  30   8.683   5.169  -5.537
  225    HZ1  LYS  30           HZ1      LYS  30  10.525   7.064  -6.919
  226    HZ2  LYS  30           HZ2      LYS  30  10.548   5.374  -6.980
  227    HZ3  LYS  30           HZ3      LYS  30  10.892   6.165  -5.528
  228    H    SER  31           HN       SER  31   7.796   1.649  -7.599
  229    HA   SER  31           HA       SER  31   5.671  -0.281  -7.191
  230    HB2  SER  31           HB2      SER  31   7.386  -0.578  -8.976
  231    HB3  SER  31           HB1      SER  31   8.625  -0.680  -7.731
  232    HG   SER  31           HG       SER  31   8.084  -2.707  -7.383
  233    H    PHE  32           HN       PHE  32   5.428  -1.505  -5.385
  234    HA   PHE  32           HA       PHE  32   6.756  -0.769  -2.954
  235    HB2  PHE  32           HB2      PHE  32   5.118  -3.252  -3.482
  236    HB3  PHE  32           HB1      PHE  32   5.581  -2.614  -1.937
  237    HD1  PHE  32           HD1      PHE  32   4.705  -0.245  -1.345
  238    HD2  PHE  32           HD2      PHE  32   3.011  -2.776  -4.294
  239    HE1  PHE  32           HE1      PHE  32   2.558   0.940  -1.121
  240    HE2  PHE  32           HE2      PHE  32   0.869  -1.597  -4.097
  241    HZ   PHE  32           HZ       PHE  32   0.638   0.264  -2.503
  242    H    THR  33           HN       THR  33   7.888  -2.340  -1.788
  243    HA   THR  33           HA       THR  33   9.870  -3.441  -1.542
  244    HB   THR  33           HB       THR  33   9.895  -5.802  -2.493
  245    HG1  THR  33           HG1      THR  33   8.060  -4.781  -4.159
  246   HG21  THR  33          HG21      THR  33   8.880  -5.323  -0.321
  247   HG22  THR  33          HG22      THR  33   7.972  -6.578  -1.163
  248   HG23  THR  33          HG23      THR  33   7.353  -4.927  -1.107
  249    H    ASP  34           HN       ASP  34   9.818  -1.511  -3.744
  250    HA   ASP  34           HA       ASP  34  12.335  -2.299  -5.006
  251    HB2  ASP  34           HB2      ASP  34   9.939  -1.267  -6.568
  252    HB3  ASP  34           HB1      ASP  34  11.575  -1.317  -7.200
  253    H    ASP  35           HN       ASP  35  10.044   0.330  -5.550
  254    HA   ASP  35           HA       ASP  35  12.041   2.377  -5.202
  255    HB2  ASP  35           HB2      ASP  35   9.024   2.481  -5.403
  256    HB3  ASP  35           HB1      ASP  35  10.054   3.893  -5.311
  257    H    LEU  36           HN       LEU  36   9.116   1.358  -3.701
  258    HA   LEU  36           HA       LEU  36   9.354   3.108  -1.407
  259    HB2  LEU  36           HB2      LEU  36   7.364   0.955  -1.918
  260    HB3  LEU  36           HB1      LEU  36   7.194   2.381  -0.918
  261    HG   LEU  36           HG       LEU  36   7.402   2.391  -3.911
  262   HD11  LEU  36          HD11      LEU  36   5.055   2.716  -2.091
  263   HD12  LEU  36          HD12      LEU  36   5.484   1.292  -3.020
  264   HD13  LEU  36          HD13      LEU  36   5.033   2.792  -3.874
  265   HD21  LEU  36          HD21      LEU  36   6.686   4.717  -3.694
  266   HD22  LEU  36          HD22      LEU  36   8.227   4.428  -2.887
  267   HD23  LEU  36          HD23      LEU  36   6.747   4.576  -1.932
  268    H    ASP  37           HN       ASP  37  10.792   0.418  -2.162
  269    HA   ASP  37           HA       ASP  37  10.830  -1.834  -1.058
  270    HB2  ASP  37           HB2      ASP  37  13.006  -0.805  -1.517
  271    HB3  ASP  37           HB1      ASP  37  12.955   0.016   0.041
  272    H    VAL  38           HN       VAL  38   9.592  -2.742   0.419
  273    HA   VAL  38           HA       VAL  38   8.917  -1.020   2.682
  274    HB   VAL  38           HB       VAL  38   7.152  -3.252   1.643
  275   HG11  VAL  38          HG11      VAL  38   6.547  -0.742   3.188
  276   HG12  VAL  38          HG12      VAL  38   6.619  -2.380   3.837
  277   HG13  VAL  38          HG13      VAL  38   5.365  -1.947   2.671
  278   HG21  VAL  38          HG21      VAL  38   5.895  -1.595   0.340
  279   HG22  VAL  38          HG22      VAL  38   7.545  -1.789  -0.258
  280   HG23  VAL  38          HG23      VAL  38   7.119  -0.380   0.715
  281    H    ASP  39           HN       ASP  39  11.201  -2.563   2.732
  282    HA   ASP  39           HA       ASP  39  12.426  -3.823   4.148
  283    HB2  ASP  39           HB2      ASP  39  11.284  -2.531   5.870
  284    HB3  ASP  39           HB1      ASP  39   9.936  -3.652   5.859
  285    H    SER  40           HN       SER  40   9.969  -4.969   2.575
  286    HA   SER  40           HA       SER  40   9.203  -6.834   1.713
  287    HB2  SER  40           HB2      SER  40  10.647  -8.645   1.305
  288    HB3  SER  40           HB1      SER  40  11.630  -7.190   1.278
  289    H    LEU  41           HN       LEU  41  10.345  -7.574   4.947
  290    HA   LEU  41           HA       LEU  41   8.232  -9.527   5.105
  291    HB2  LEU  41           HB2      LEU  41   9.106 -10.118   7.354
  292    HB3  LEU  41           HB1      LEU  41  10.262 -10.289   6.058
  293    HG   LEU  41           HG       LEU  41  11.158  -7.990   6.854
  294   HD11  LEU  41          HD11      LEU  41   9.671  -8.841   9.327
  295   HD12  LEU  41          HD12      LEU  41   9.347  -7.417   8.338
  296   HD13  LEU  41          HD13      LEU  41  10.864  -7.541   9.230
  297   HD21  LEU  41          HD21      LEU  41  12.596  -9.087   8.492
  298   HD22  LEU  41          HD22      LEU  41  12.379 -10.066   7.040
  299   HD23  LEU  41          HD23      LEU  41  11.502 -10.468   8.518
  300    H    SER  42           HN       SER  42   8.921  -6.427   6.681
  301    HA   SER  42           HA       SER  42   6.608  -6.617   8.308
  302    HB2  SER  42           HB2      SER  42   7.086  -4.229   8.902
  303    HB3  SER  42           HB1      SER  42   8.407  -5.360   9.230
  304    HG   SER  42           HG       SER  42   9.517  -4.541   7.614
  305    H    MET  43           HN       MET  43   6.966  -5.862   5.150
  306    HA   MET  43           HA       MET  43   5.281  -3.819   4.693
  307    HB2  MET  43           HB2      MET  43   4.788  -4.857   2.373
  308    HB3  MET  43           HB1      MET  43   6.443  -4.616   2.833
  309    HG2  MET  43           HG2      MET  43   6.045  -6.686   1.642
  310    HG3  MET  43           HG1      MET  43   6.772  -6.908   3.222
  311    HE1  MET  43           HE1      MET  43   3.585  -7.391   1.032
  312    HE2  MET  43           HE2      MET  43   2.971  -6.285   2.281
  313    HE3  MET  43           HE3      MET  43   2.415  -7.964   2.213
  314    H    VAL  44           HN       VAL  44   4.263  -6.976   5.714
  315    HA   VAL  44           HA       VAL  44   1.504  -6.800   5.084
  316    HB   VAL  44           HB       VAL  44   2.809  -8.314   7.387
  317   HG11  VAL  44          HG11      VAL  44   0.416  -7.995   7.788
  318   HG12  VAL  44          HG12      VAL  44   0.765  -9.683   7.419
  319   HG13  VAL  44          HG13      VAL  44   0.052  -8.640   6.187
  320   HG21  VAL  44          HG21      VAL  44   1.957  -9.254   4.652
  321   HG22  VAL  44          HG22      VAL  44   2.610 -10.278   5.930
  322   HG23  VAL  44          HG23      VAL  44   3.618  -9.026   5.196
  323    H    GLU  45           HN       GLU  45   3.406  -5.517   7.689
  324    HA   GLU  45           HA       GLU  45   1.230  -4.794   9.329
  325    HB2  GLU  45           HB2      GLU  45   4.050  -3.689   9.242
  326    HB3  GLU  45           HB1      GLU  45   2.904  -3.464  10.560
  327    HG2  GLU  45           HG2      GLU  45   2.848  -5.899  10.906
  328    HG3  GLU  45           HG1      GLU  45   4.016  -6.087   9.620
  329    H    VAL  46           HN       VAL  46   3.157  -3.098   6.852
  330    HA   VAL  46           HA       VAL  46   1.801  -0.669   6.836
  331    HB   VAL  46           HB       VAL  46   2.830  -2.194   4.408
  332   HG11  VAL  46          HG11      VAL  46   1.278  -0.396   3.724
  333   HG12  VAL  46          HG12      VAL  46   2.928   0.013   3.273
  334   HG13  VAL  46          HG13      VAL  46   2.188   0.769   4.674
  335   HG21  VAL  46          HG21      VAL  46   4.144  -0.081   6.108
  336   HG22  VAL  46          HG22      VAL  46   4.823  -0.797   4.646
  337   HG23  VAL  46          HG23      VAL  46   4.553  -1.794   6.074
  338    H    VAL  47           HN       VAL  47   1.000  -3.645   5.092
  339    HA   VAL  47           HA       VAL  47  -1.393  -2.858   3.843
  340    HB   VAL  47           HB       VAL  47  -0.848  -5.584   5.059
  341   HG11  VAL  47          HG11      VAL  47  -3.145  -5.276   4.327
  342   HG12  VAL  47          HG12      VAL  47  -2.301  -6.409   3.271
  343   HG13  VAL  47          HG13      VAL  47  -2.582  -4.752   2.740
  344   HG21  VAL  47          HG21      VAL  47  -0.079  -4.530   2.346
  345   HG22  VAL  47          HG22      VAL  47   0.086  -6.200   2.885
  346   HG23  VAL  47          HG23      VAL  47   1.023  -4.925   3.666
  347    H    VAL  48           HN       VAL  48  -1.074  -4.469   7.006
  348    HA   VAL  48           HA       VAL  48  -3.761  -4.372   7.756
  349    HB   VAL  48           HB       VAL  48  -1.328  -4.234   9.566
  350   HG11  VAL  48          HG11      VAL  48  -2.798  -5.142  11.296
  351   HG12  VAL  48          HG12      VAL  48  -4.166  -5.036  10.189
  352   HG13  VAL  48          HG13      VAL  48  -3.356  -3.565  10.736
  353   HG21  VAL  48          HG21      VAL  48  -1.309  -6.186   8.108
  354   HG22  VAL  48          HG22      VAL  48  -2.945  -6.598   8.620
  355   HG23  VAL  48          HG23      VAL  48  -1.616  -6.657   9.779
  356    H    ALA  49           HN       ALA  49  -1.238  -1.963   8.244
  357    HA   ALA  49           HA       ALA  49  -2.912  -0.193   9.722
  358    HB1  ALA  49           HB1      ALA  49  -0.478  -0.185  10.018
  359    HB2  ALA  49           HB2      ALA  49  -1.077   1.406   9.539
  360    HB3  ALA  49           HB3      ALA  49  -0.280   0.369   8.356
  361    H    ALA  50           HN       ALA  50  -2.199  -0.693   6.367
  362    HA   ALA  50           HA       ALA  50  -3.406   1.713   5.437
  363    HB1  ALA  50           HB1      ALA  50  -2.975  -0.916   3.998
  364    HB2  ALA  50           HB2      ALA  50  -1.838   0.433   4.032
  365    HB3  ALA  50           HB3      ALA  50  -3.401   0.617   3.237
  366    H    GLU  51           HN       GLU  51  -4.485  -1.570   6.101
  367    HA   GLU  51           HA       GLU  51  -7.082  -1.377   5.215
  368    HB2  GLU  51           HB2      GLU  51  -6.085  -2.833   7.676
  369    HB3  GLU  51           HB1      GLU  51  -7.676  -3.056   6.975
  370    HG2  GLU  51           HG2      GLU  51  -6.600  -3.900   4.911
  371    HG3  GLU  51           HG1      GLU  51  -5.038  -3.719   5.712
  372    H    GLU  52           HN       GLU  52  -5.609  -0.547   8.235
  373    HA   GLU  52           HA       GLU  52  -7.776   0.495   9.649
  374    HB2  GLU  52           HB2      GLU  52  -5.656  -0.096  10.643
  375    HB3  GLU  52           HB1      GLU  52  -4.836   1.122   9.694
  376    HG2  GLU  52           HG2      GLU  52  -6.089   2.852  10.915
  377    HG3  GLU  52           HG1      GLU  52  -6.800   1.580  11.911
  378    H    ARG  53           HN       ARG  53  -5.313   2.046   7.684
  379    HA   ARG  53           HA       ARG  53  -5.990   4.702   7.984
  380    HB2  ARG  53           HB2      ARG  53  -3.848   3.822   7.181
  381    HB3  ARG  53           HB1      ARG  53  -4.610   3.370   5.666
  382    HG2  ARG  53           HG2      ARG  53  -3.330   5.407   5.446
  383    HG3  ARG  53           HG1      ARG  53  -5.050   5.714   5.192
  384    HD2  ARG  53           HD2      ARG  53  -5.248   6.544   7.470
  385    HD3  ARG  53           HD1      ARG  53  -3.536   6.204   7.748
  386    HE   ARG  53           HE       ARG  53  -2.983   8.075   6.557
  387   HH11  ARG  53          HH11      ARG  53  -6.464   7.488   6.168
  388   HH12  ARG  53          HH12      ARG  53  -6.737   8.975   5.399
  389   HH21  ARG  53          HH21      ARG  53  -3.365  10.018   5.606
  390   HH22  ARG  53          HH22      ARG  53  -4.923  10.515   5.058
  391    H    PHE  54           HN       PHE  54  -7.062   2.455   5.423
  392    HA   PHE  54           HA       PHE  54  -8.698   4.658   4.292
  393    HB2  PHE  54           HB2      PHE  54  -8.182   2.018   2.937
  394    HB3  PHE  54           HB1      PHE  54  -8.691   3.536   2.215
  395    HD1  PHE  54           HD1      PHE  54  -6.847   5.504   2.905
  396    HD2  PHE  54           HD2      PHE  54  -6.154   1.359   2.324
  397    HE1  PHE  54           HE1      PHE  54  -4.501   5.986   2.385
  398    HE2  PHE  54           HE2      PHE  54  -3.783   1.831   1.799
  399    HZ   PHE  54           HZ       PHE  54  -2.960   4.148   1.843
  400    H    ASP  55           HN       ASP  55  -9.070   2.306   6.447
  401    HA   ASP  55           HA       ASP  55 -10.704   1.026   7.279
  402    HB2  ASP  55           HB2      ASP  55 -12.171   3.018   7.075
  403    HB3  ASP  55           HB1      ASP  55 -12.542   2.595   5.410
  404    H    VAL  56           HN       VAL  56  -9.288   0.439   4.703
  405    HA   VAL  56           HA       VAL  56 -11.101  -1.282   3.259
  406    HB   VAL  56           HB       VAL  56  -9.230   0.086   2.135
  407   HG11  VAL  56          HG11      VAL  56  -7.027  -0.910   1.919
  408   HG12  VAL  56          HG12      VAL  56  -7.455  -2.127   3.088
  409   HG13  VAL  56          HG13      VAL  56  -7.365  -0.424   3.590
  410   HG21  VAL  56          HG21      VAL  56  -9.367  -2.852   1.471
  411   HG22  VAL  56          HG22      VAL  56  -8.729  -1.596   0.406
  412   HG23  VAL  56          HG23      VAL  56 -10.432  -1.585   0.864
  413    H    LYS  57           HN       LYS  57  -9.950  -3.494   2.693
  414    HA   LYS  57           HA       LYS  57  -8.763  -4.753   5.012
  415    HB2  LYS  57           HB2      LYS  57 -11.313  -5.769   3.686
  416    HB3  LYS  57           HB1      LYS  57 -10.278  -6.777   4.667
  417    HG2  LYS  57           HG2      LYS  57 -12.078  -6.175   6.049
  418    HG3  LYS  57           HG1      LYS  57 -10.739  -5.158   6.569
  419    HD2  LYS  57           HD2      LYS  57 -11.675  -3.321   5.192
  420    HD3  LYS  57           HD1      LYS  57 -13.049  -4.355   4.802
  421    HE2  LYS  57           HE2      LYS  57 -13.622  -4.503   7.160
  422    HE3  LYS  57           HE1      LYS  57 -12.223  -3.513   7.571
  423    HZ1  LYS  57           HZ1      LYS  57 -13.204  -1.683   6.314
  424    HZ2  LYS  57           HZ2      LYS  57 -14.260  -2.212   7.531
  425    HZ3  LYS  57           HZ3      LYS  57 -14.532  -2.648   5.922
  426    H    ILE  58           HN       ILE  58  -7.064  -5.769   4.251
  427    HA   ILE  58           HA       ILE  58  -7.214  -7.081   1.650
  428    HB   ILE  58           HB       ILE  58  -4.785  -5.359   2.270
  429   HG12  ILE  58          HG12      ILE  58  -7.074  -4.556   0.441
  430   HG13  ILE  58          HG11      ILE  58  -6.773  -3.843   2.023
  431   HG21  ILE  58          HG21      ILE  58  -4.549  -7.212   0.674
  432   HG22  ILE  58          HG22      ILE  58  -4.384  -5.646  -0.136
  433   HG23  ILE  58          HG23      ILE  58  -5.896  -6.548  -0.262
  434   HD11  ILE  58          HD11      ILE  58  -4.921  -3.736  -0.347
  435   HD12  ILE  58          HD12      ILE  58  -4.612  -3.024   1.234
  436   HD13  ILE  58          HD13      ILE  58  -5.940  -2.423   0.244
  437    HA   PRO  59           HA       PRO  59  -5.063  -9.775   4.572
  438    HB2  PRO  59           HB2      PRO  59  -5.547 -11.867   2.593
  439    HB3  PRO  59           HB1      PRO  59  -6.181 -11.719   4.235
  440    HG2  PRO  59           HG2      PRO  59  -7.716 -11.444   2.005
  441    HG3  PRO  59           HG1      PRO  59  -8.076 -10.668   3.555
  442    HD2  PRO  59           HD2      PRO  59  -6.851  -9.501   1.091
  443    HD3  PRO  59           HD1      PRO  59  -7.990  -8.782   2.245
  444    H    ASP  60           HN       ASP  60  -3.112 -11.075   4.370
  445    HA   ASP  60           HA       ASP  60  -1.313  -9.981   2.508
  446    HB2  ASP  60           HB2      ASP  60   0.409 -11.496   3.336
  447    HB3  ASP  60           HB1      ASP  60  -0.421 -10.685   4.658
  448    H    ASP  61           HN       ASP  61  -3.392 -12.609   2.215
  449    HA   ASP  61           HA       ASP  61  -2.083 -14.001   0.101
  450    HB2  ASP  61           HB2      ASP  61  -3.985 -15.027   1.215
  451    HB3  ASP  61           HB1      ASP  61  -5.030 -13.692   0.753
  452    H    ASP  62           HN       ASP  62  -4.177 -11.233   0.279
  453    HA   ASP  62           HA       ASP  62  -4.540 -10.889  -2.523
  454    HB2  ASP  62           HB2      ASP  62  -5.245  -9.307  -0.101
  455    HB3  ASP  62           HB1      ASP  62  -5.267  -8.518  -1.672
  456    H    VAL  63           HN       VAL  63  -2.526  -9.308  -0.077
  457    HA   VAL  63           HA       VAL  63  -1.609  -7.234  -1.704
  458    HB   VAL  63           HB       VAL  63  -1.394  -7.235   0.763
  459   HG11  VAL  63          HG11      VAL  63   0.961  -9.048   0.340
  460   HG12  VAL  63          HG12      VAL  63  -0.583  -9.512   1.035
  461   HG13  VAL  63          HG13      VAL  63   0.438  -8.338   1.874
  462   HG21  VAL  63          HG21      VAL  63  -0.188  -5.584  -0.470
  463   HG22  VAL  63          HG22      VAL  63   1.138  -6.709  -0.767
  464   HG23  VAL  63          HG23      VAL  63   0.817  -6.133   0.869
  465    H    LYS  64           HN       LYS  64  -0.638 -10.508  -1.686
  466    HA   LYS  64           HA       LYS  64   1.937 -10.365  -2.715
  467    HB2  LYS  64           HB2      LYS  64  -0.181 -12.449  -3.277
  468    HB3  LYS  64           HB1      LYS  64   1.531 -12.635  -3.616
  469    HG2  LYS  64           HG2      LYS  64   2.018 -12.464  -1.247
  470    HG3  LYS  64           HG1      LYS  64   0.302 -12.245  -0.904
  471    HD2  LYS  64           HD2      LYS  64  -0.145 -14.460  -1.879
  472    HD3  LYS  64           HD1      LYS  64   1.588 -14.680  -2.142
  473    HE2  LYS  64           HE2      LYS  64   0.242 -14.258   0.526
  474    HE3  LYS  64           HE1      LYS  64   0.814 -15.804  -0.101
  475    HZ1  LYS  64           HZ1      LYS  64   2.368 -14.721   1.480
  476    HZ2  LYS  64           HZ2      LYS  64   2.585 -13.457   0.408
  477    HZ3  LYS  64           HZ3      LYS  64   3.066 -15.008  -0.021
  478    H    ASN  65           HN       ASN  65  -1.027  -9.485  -4.138
  479    HA   ASN  65           HA       ASN  65  -0.126  -9.911  -6.892
  480    HB2  ASN  65           HB2      ASN  65  -2.860  -9.166  -5.831
  481    HB3  ASN  65           HB1      ASN  65  -2.461  -9.460  -7.519
  482   HD21  ASN  65          HD21      ASN  65  -3.037 -10.879  -4.420
  483   HD22  ASN  65          HD22      ASN  65  -3.106 -12.526  -4.952
  484    H    LEU  66           HN       LEU  66   0.398  -7.604  -4.748
  485    HA   LEU  66           HA       LEU  66  -0.456  -5.385  -6.411
  486    HB2  LEU  66           HB2      LEU  66   0.681  -5.521  -3.644
  487    HB3  LEU  66           HB1      LEU  66   0.486  -3.997  -4.474
  488    HG   LEU  66           HG       LEU  66  -1.702  -5.931  -3.695
  489   HD11  LEU  66          HD11      LEU  66  -2.446  -4.134  -2.250
  490   HD12  LEU  66          HD12      LEU  66  -1.084  -3.136  -2.768
  491   HD13  LEU  66          HD13      LEU  66  -0.795  -4.621  -1.860
  492   HD21  LEU  66          HD21      LEU  66  -1.889  -3.306  -5.164
  493   HD22  LEU  66          HD22      LEU  66  -3.251  -4.270  -4.586
  494   HD23  LEU  66          HD23      LEU  66  -2.191  -4.904  -5.845
  495    H    LYS  67           HN       LYS  67   1.099  -3.610  -6.777
  496    HA   LYS  67           HA       LYS  67   3.839  -4.390  -6.801
  497    HB2  LYS  67           HB2      LYS  67   4.281  -4.030  -9.191
  498    HB3  LYS  67           HB1      LYS  67   3.173  -5.369  -8.954
  499    HG2  LYS  67           HG2      LYS  67   2.411  -2.595  -9.862
  500    HG3  LYS  67           HG1      LYS  67   2.720  -3.949 -10.936
  501    HD2  LYS  67           HD2      LYS  67   0.503  -3.686  -8.900
  502    HD3  LYS  67           HD1      LYS  67   0.344  -3.600 -10.644
  503    HE2  LYS  67           HE2      LYS  67   1.167  -5.953 -10.798
  504    HE3  LYS  67           HE1      LYS  67   1.132  -6.029  -9.038
  505    HZ1  LYS  67           HZ1      LYS  67  -1.328  -5.521  -9.197
  506    HZ2  LYS  67           HZ2      LYS  67  -0.876  -6.988  -9.866
  507    HZ3  LYS  67           HZ3      LYS  67  -1.184  -5.680 -10.870
  508    H    THR  68           HN       THR  68   1.829  -1.846  -8.357
  509    HA   THR  68           HA       THR  68   3.577   0.030  -6.977
  510    HB   THR  68           HB       THR  68   2.756   1.655  -8.695
  511    HG1  THR  68           HG1      THR  68   1.725   0.757 -10.518
  512   HG21  THR  68          HG21      THR  68   4.096   0.765 -10.558
  513   HG22  THR  68          HG22      THR  68   4.078  -0.832  -9.803
  514   HG23  THR  68          HG23      THR  68   4.903   0.510  -9.010
  515    H    VAL  69           HN       VAL  69   2.219   2.193  -6.546
  516    HA   VAL  69           HA       VAL  69  -0.065   1.205  -5.159
  517    HB   VAL  69           HB       VAL  69  -0.375   3.201  -4.017
  518   HG11  VAL  69          HG11      VAL  69   1.763   3.839  -3.103
  519   HG12  VAL  69          HG12      VAL  69   2.557   2.908  -4.382
  520   HG13  VAL  69          HG13      VAL  69   1.495   2.102  -3.216
  521   HG21  VAL  69          HG21      VAL  69   0.689   5.335  -4.538
  522   HG22  VAL  69          HG22      VAL  69  -0.436   4.772  -5.769
  523   HG23  VAL  69          HG23      VAL  69   1.304   4.631  -6.038
  524    H    GLY  70           HN       GLY  70   0.487   2.316  -8.197
  525    HA2  GLY  70           HA2      GLY  70  -1.964   3.589  -8.758
  526    HA3  GLY  70           HA1      GLY  70  -0.932   2.761  -9.926
  527    H    ASP  71           HN       ASP  71  -0.863   0.245  -9.039
  528    HA   ASP  71           HA       ASP  71  -3.422  -0.784  -9.746
  529    HB2  ASP  71           HB2      ASP  71  -1.105  -1.956 -10.046
  530    HB3  ASP  71           HB1      ASP  71  -1.300  -2.359  -8.336
  531    H    ALA  72           HN       ALA  72  -1.583  -0.429  -6.772
  532    HA   ALA  72           HA       ALA  72  -3.278  -1.783  -5.032
  533    HB1  ALA  72           HB1      ALA  72  -2.181  -0.640  -3.227
  534    HB2  ALA  72           HB2      ALA  72  -1.583   0.597  -4.324
  535    HB3  ALA  72           HB3      ALA  72  -0.984  -1.061  -4.454
  536    H    THR  73           HN       THR  73  -3.349   1.608  -6.036
  537    HA   THR  73           HA       THR  73  -5.299   2.550  -4.347
  538    HB   THR  73           HB       THR  73  -4.734   3.271  -7.241
  539    HG1  THR  73           HG1      THR  73  -3.051   3.758  -5.853
  540   HG21  THR  73          HG21      THR  73  -5.959   5.360  -6.842
  541   HG22  THR  73          HG22      THR  73  -6.398   4.803  -5.232
  542   HG23  THR  73          HG23      THR  73  -7.029   3.968  -6.655
  543    H    LYS  74           HN       LYS  74  -5.733   1.156  -7.591
  544    HA   LYS  74           HA       LYS  74  -8.575   1.279  -7.512
  545    HB2  LYS  74           HB2      LYS  74  -6.894  -0.489  -9.289
  546    HB3  LYS  74           HB1      LYS  74  -8.523   0.105  -9.600
  547    HG2  LYS  74           HG2      LYS  74  -5.996   1.717  -9.490
  548    HG3  LYS  74           HG1      LYS  74  -6.948   1.328 -10.924
  549    HD2  LYS  74           HD2      LYS  74  -7.991   2.920  -8.585
  550    HD3  LYS  74           HD1      LYS  74  -7.271   3.660 -10.011
  551    HE2  LYS  74           HE2      LYS  74  -9.679   1.841 -10.068
  552    HE3  LYS  74           HE1      LYS  74  -9.758   3.602 -10.066
  553    HZ1  LYS  74           HZ1      LYS  74  -9.918   2.899 -12.317
  554    HZ2  LYS  74           HZ2      LYS  74  -8.617   1.848 -12.174
  555    HZ3  LYS  74           HZ3      LYS  74  -8.350   3.509 -12.122
  556    H    TYR  75           HN       TYR  75  -6.203  -1.037  -6.631
  557    HA   TYR  75           HA       TYR  75  -7.767  -3.320  -6.384
  558    HB2  TYR  75           HB2      TYR  75  -5.231  -3.043  -6.333
  559    HB3  TYR  75           HB1      TYR  75  -5.425  -2.567  -4.656
  560    HD1  TYR  75           HD2      TYR  75  -6.324  -4.248  -3.011
  561    HD2  TYR  75           HD1      TYR  75  -5.266  -5.216  -6.996
  562    HE1  TYR  75           HE2      TYR  75  -6.226  -6.566  -2.371
  563    HE2  TYR  75           HE1      TYR  75  -5.131  -7.531  -6.458
  564    HH   TYR  75           HH       TYR  75  -6.345  -8.850  -3.500
  565    H    ILE  76           HN       ILE  76  -6.647  -0.918  -4.040
  566    HA   ILE  76           HA       ILE  76  -8.089  -1.758  -1.798
  567    HB   ILE  76           HB       ILE  76  -6.960   0.953  -2.562
  568   HG12  ILE  76          HG12      ILE  76  -6.003  -1.151  -0.610
  569   HG13  ILE  76          HG11      ILE  76  -5.364  -0.889  -2.224
  570   HG21  ILE  76          HG21      ILE  76  -8.091   0.130   0.119
  571   HG22  ILE  76          HG22      ILE  76  -8.790   1.312  -0.981
  572   HG23  ILE  76          HG23      ILE  76  -7.228   1.632  -0.222
  573   HD11  ILE  76          HD11      ILE  76  -3.921   0.064  -0.531
  574   HD12  ILE  76          HD12      ILE  76  -5.251   1.064   0.058
  575   HD13  ILE  76          HD13      ILE  76  -4.597   1.329  -1.557
  576    H    LEU  77           HN       LEU  77  -8.862   0.666  -4.267
  577    HA   LEU  77           HA       LEU  77 -11.272   1.576  -3.305
  578    HB2  LEU  77           HB2      LEU  77 -10.470   1.129  -6.174
  579    HB3  LEU  77           HB1      LEU  77 -11.912   1.996  -5.689
  580    HG   LEU  77           HG       LEU  77  -9.075   2.822  -5.089
  581   HD11  LEU  77          HD11      LEU  77  -9.535   4.646  -6.646
  582   HD12  LEU  77          HD12      LEU  77 -11.116   3.947  -6.997
  583   HD13  LEU  77          HD13      LEU  77  -9.648   3.072  -7.434
  584   HD21  LEU  77          HD21      LEU  77 -10.085   4.886  -4.270
  585   HD22  LEU  77          HD22      LEU  77 -10.622   3.492  -3.334
  586   HD23  LEU  77          HD23      LEU  77 -11.690   4.211  -4.540
  587    H    ASP  78           HN       ASP  78 -10.661  -1.365  -5.113
  588    HA   ASP  78           HA       ASP  78 -13.492  -1.960  -5.257
  589    HB2  ASP  78           HB2      ASP  78 -12.014  -2.510  -7.142
  590    HB3  ASP  78           HB1      ASP  78 -11.123  -3.623  -6.109
  591    H    HIS  79           HN       HIS  79 -10.799  -2.754  -3.288
  592    HA   HIS  79           HA       HIS  79 -12.040  -5.120  -2.113
  593    HB2  HIS  79           HB2      HIS  79  -9.422  -4.358  -2.550
  594    HB3  HIS  79           HB1      HIS  79  -9.626  -4.186  -0.809
  595    HD1  HIS  79           HD1      HIS  79 -10.007  -6.347   0.557
  596    HD2  HIS  79           HD2      HIS  79  -9.561  -6.967  -3.520
  597    HE1  HIS  79           HE1      HIS  79  -9.722  -8.811   0.282
  598    HE2  HIS  79           HE2      HIS  79  -8.904  -8.980  -2.058
  599    H    GLN  80           HN       GLN  80 -12.605  -1.984  -1.644
  600    HA   GLN  80           HA       GLN  80 -12.820  -2.187   1.292
  601    HB2  GLN  80           HB2      GLN  80 -12.815   0.267   1.332
  602    HB3  GLN  80           HB1      GLN  80 -11.371  -0.373   0.565
  603    HG2  GLN  80           HG2      GLN  80 -12.297   0.090  -1.632
  604    HG3  GLN  80           HG1      GLN  80 -13.776   0.688  -0.895
  605   HE21  GLN  80          HE21      GLN  80 -10.686   1.384   0.509
  606   HE22  GLN  80          HE22      GLN  80 -10.648   3.054   0.072
  607    H    ALA  81           HN       ALA  81 -14.598  -0.658   2.088
  608    HA   ALA  81           HA       ALA  81 -16.998  -0.943   0.448
  609    HB1  ALA  81           HB1      ALA  81 -18.232  -0.951   2.589
  610    HB2  ALA  81           HB2      ALA  81 -16.699  -0.906   3.460
  611    HB3  ALA  81           HB3      ALA  81 -17.117  -2.312   2.482
  612    H2   SOO 101           H2A      SOO 101   4.222  -6.115  -0.236
  613    H3   SOO 101           H3A      SOO 101   2.875  -3.700  -1.612
  614    H4   SOO 101           H4A      SOO 101   3.028  -4.510   1.279
  615    H4A  SOO 101           H4B      SOO 101   4.426  -3.556   0.780
  616    H5   SOO 101           H5A      SOO 101   2.900  -1.775   0.023
  617    H5A  SOO 101           H5B      SOO 101   2.741  -2.109   1.749
  618    H6   SOO 101           H6A      SOO 101   0.772  -3.515   1.270
  619    H6A  SOO 101           H6B      SOO 101   0.915  -3.103  -0.439
  620    H7   SOO 101           H7A      SOO 101   0.550  -0.746   0.071
  621    H7A  SOO 101           H7B      SOO 101   0.445  -1.130   1.798
  622    H8   SOO 101           H8C      SOO 101  -1.490  -2.557   1.340
  623    H8A  SOO 101           H8A      SOO 101  -1.381  -2.159  -0.374
  624    H8B  SOO 101           H8B      SOO 101  -1.775  -0.903   0.801
  625    H28  SOO 101          H28A      SOO 101  10.814 -11.898   3.231
  626   H28A  SOO 101          H28B      SOO 101   9.920 -10.407   2.905
  627    H30  SOO 101          H30A      SOO 101   8.329 -10.266   1.207
  628   H30A  SOO 101          H30B      SOO 101   8.336 -11.368  -0.171
  629   H30B  SOO 101          H30C      SOO 101   9.693 -10.273   0.090
  630    H31  SOO 101          H31A      SOO 101  11.028 -13.547   1.130
  631   H31A  SOO 101          H31B      SOO 101  11.230 -12.201   0.009
  632   H31B  SOO 101          H31C      SOO 101   9.887 -13.326  -0.196
  633    H32  SOO 101          H32A      SOO 101   8.059 -13.471   1.416
  634   HO33  SOO 101          H33A      SOO 101   9.015 -13.439   3.893
  635   HN36  SOO 101          H36A      SOO 101   6.429 -11.772   1.482
  636    H37  SOO 101          H37A      SOO 101   5.539 -11.132   4.195
  637   H37A  SOO 101          H37B      SOO 101   5.632  -9.870   2.989
  638    H38  SOO 101          H38A      SOO 101   3.875 -12.342   2.854
  639   H38A  SOO 101          H38B      SOO 101   3.405 -10.644   3.129
  640   HN41  SOO 101          H41A      SOO 101   5.087  -9.607   1.209
  641    H42  SOO 101          H42A      SOO 101   5.374 -10.111  -1.326
  642   H42A  SOO 101          H42B      SOO 101   3.614 -10.206  -1.281
  643    H43  SOO 101          H43A      SOO 101   5.272  -7.787  -0.593
  644   H43A  SOO 101          H43B      SOO 101   3.516  -7.902  -0.459
  Start of MODEL    4
    1    H1   ALA   1           HT1      ALA   1 -14.030   4.099   3.747
    2    H2   ALA   1           HT2      ALA   1 -12.751   3.047   3.543
    3    H3   ALA   1           HT3      ALA   1 -14.359   2.520   3.239
    4    HA   ALA   1           HA       ALA   1 -13.108   3.018   1.187
    5    HB1  ALA   1           HB1      ALA   1 -15.539   3.347   1.227
    6    HB2  ALA   1           HB2      ALA   1 -14.740   4.521   0.180
    7    HB3  ALA   1           HB3      ALA   1 -15.303   5.004   1.780
    8    H    ALA   2           HN       ALA   2 -12.151   4.716  -0.175
    9    HA   ALA   2           HA       ALA   2 -11.294   7.195   0.942
   10    HB1  ALA   2           HB1      ALA   2  -9.343   4.917   0.733
   11    HB2  ALA   2           HB2      ALA   2  -9.886   5.659   2.243
   12    HB3  ALA   2           HB3      ALA   2  -8.918   6.585   1.094
   13    H    THR   3           HN       THR   3 -10.416   8.458  -0.829
   14    HA   THR   3           HA       THR   3 -10.749   7.117  -3.374
   15    HB   THR   3           HB       THR   3 -10.656   9.291  -4.432
   16    HG1  THR   3           HG1      THR   3  -9.806  10.339  -1.902
   17   HG21  THR   3          HG21      THR   3 -12.338  10.575  -3.200
   18   HG22  THR   3          HG22      THR   3 -11.982   9.624  -1.763
   19   HG23  THR   3          HG23      THR   3 -12.727   8.844  -3.168
   20    H    GLN   4           HN       GLN   4  -8.896   8.251  -5.072
   21    HA   GLN   4           HA       GLN   4  -6.665   6.708  -4.613
   22    HB2  GLN   4           HB2      GLN   4  -7.237   7.163  -6.814
   23    HB3  GLN   4           HB1      GLN   4  -7.430   8.867  -6.542
   24    HG2  GLN   4           HG2      GLN   4  -4.707   7.658  -6.332
   25    HG3  GLN   4           HG1      GLN   4  -5.415   7.930  -7.922
   26   HE21  GLN   4          HE21      GLN   4  -3.113   9.200  -6.677
   27   HE22  GLN   4          HE22      GLN   4  -3.472  10.889  -6.650
   28    H    GLU   5           HN       GLU   5  -7.263  10.068  -3.987
   29    HA   GLU   5           HA       GLU   5  -4.627  10.699  -3.217
   30    HB2  GLU   5           HB2      GLU   5  -7.244  12.041  -2.774
   31    HB3  GLU   5           HB1      GLU   5  -5.822  12.600  -1.898
   32    HG2  GLU   5           HG2      GLU   5  -6.000  12.338  -4.884
   33    HG3  GLU   5           HG1      GLU   5  -6.227  13.838  -3.981
   34    H    GLU   6           HN       GLU   6  -7.327   9.435  -1.336
   35    HA   GLU   6           HA       GLU   6  -5.969   9.725   1.117
   36    HB2  GLU   6           HB2      GLU   6  -8.321   8.082   0.292
   37    HB3  GLU   6           HB1      GLU   6  -7.585   7.867   1.878
   38    HG2  GLU   6           HG2      GLU   6  -9.532   9.290   1.983
   39    HG3  GLU   6           HG1      GLU   6  -8.079  10.185   2.402
   40    H    ILE   7           HN       ILE   7  -6.369   7.172  -1.243
   41    HA   ILE   7           HA       ILE   7  -5.019   5.109   0.042
   42    HB   ILE   7           HB       ILE   7  -5.297   5.735  -2.912
   43   HG12  ILE   7          HG12      ILE   7  -6.758   3.783  -1.125
   44   HG13  ILE   7          HG11      ILE   7  -7.372   5.356  -1.606
   45   HG21  ILE   7          HG21      ILE   7  -4.707   3.383  -3.327
   46   HG22  ILE   7          HG22      ILE   7  -4.367   3.162  -1.609
   47   HG23  ILE   7          HG23      ILE   7  -3.372   4.254  -2.573
   48   HD11  ILE   7          HD11      ILE   7  -8.344   3.544  -2.906
   49   HD12  ILE   7          HD12      ILE   7  -6.733   3.089  -3.471
   50   HD13  ILE   7          HD13      ILE   7  -7.419   4.655  -3.913
   51    H    VAL   8           HN       VAL   8  -3.710   7.207  -2.506
   52    HA   VAL   8           HA       VAL   8  -1.064   6.359  -2.323
   53    HB   VAL   8           HB       VAL   8  -2.173   9.034  -3.221
   54   HG11  VAL   8          HG11      VAL   8   0.505   7.773  -3.785
   55   HG12  VAL   8          HG12      VAL   8   0.219   9.209  -2.797
   56   HG13  VAL   8          HG13      VAL   8  -0.116   9.247  -4.530
   57   HG21  VAL   8          HG21      VAL   8  -1.987   8.047  -5.461
   58   HG22  VAL   8          HG22      VAL   8  -3.113   7.172  -4.420
   59   HG23  VAL   8          HG23      VAL   8  -1.508   6.515  -4.728
   60    H    ALA   9           HN       ALA   9  -2.347   9.442  -1.019
   61    HA   ALA   9           HA       ALA   9   0.036  10.128   0.311
   62    HB1  ALA   9           HB1      ALA   9  -1.640  11.760  -0.349
   63    HB2  ALA   9           HB2      ALA   9  -1.278  11.872   1.378
   64    HB3  ALA   9           HB3      ALA   9  -2.762  11.084   0.829
   65    H    GLY  10           HN       GLY  10  -2.773   8.294   1.330
   66    HA2  GLY  10           HA2      GLY  10  -2.131   8.384   4.122
   67    HA3  GLY  10           HA1      GLY  10  -3.331   7.356   3.347
   68    H    LEU  11           HN       LEU  11  -1.559   6.173   1.460
   69    HA   LEU  11           HA       LEU  11  -0.566   3.987   2.895
   70    HB2  LEU  11           HB2      LEU  11  -0.922   4.758   0.240
   71    HB3  LEU  11           HB1      LEU  11   0.805   4.494   0.385
   72    HG   LEU  11           HG       LEU  11  -1.317   2.473   1.152
   73   HD11  LEU  11          HD11      LEU  11   0.332   2.631  -1.358
   74   HD12  LEU  11          HD12      LEU  11  -1.404   2.923  -1.229
   75   HD13  LEU  11          HD13      LEU  11  -0.753   1.316  -0.904
   76   HD21  LEU  11          HD21      LEU  11   0.800   2.167   2.307
   77   HD22  LEU  11          HD22      LEU  11   1.656   2.200   0.766
   78   HD23  LEU  11          HD23      LEU  11   0.536   0.884   1.126
   79    H    ALA  12           HN       ALA  12   0.944   6.792   1.475
   80    HA   ALA  12           HA       ALA  12   3.584   6.211   2.062
   81    HB1  ALA  12           HB1      ALA  12   4.031   8.515   1.691
   82    HB2  ALA  12           HB2      ALA  12   2.317   8.918   1.859
   83    HB3  ALA  12           HB3      ALA  12   2.875   7.914   0.504
   84    H    GLU  13           HN       GLU  13   1.104   7.617   4.075
   85    HA   GLU  13           HA       GLU  13   2.753   8.646   6.128
   86    HB2  GLU  13           HB2      GLU  13  -0.057   7.523   6.370
   87    HB3  GLU  13           HB1      GLU  13   0.761   8.457   7.607
   88    HG2  GLU  13           HG2      GLU  13   0.825  10.383   6.092
   89    HG3  GLU  13           HG1      GLU  13  -0.015   9.433   4.868
   90    H    ILE  14           HN       ILE  14   1.262   5.506   5.677
   91    HA   ILE  14           HA       ILE  14   2.403   4.453   8.094
   92    HB   ILE  14           HB       ILE  14   0.865   3.080   5.858
   93   HG12  ILE  14          HG12      ILE  14  -0.797   2.648   7.718
   94   HG13  ILE  14          HG11      ILE  14   0.169   3.696   8.738
   95   HG21  ILE  14          HG21      ILE  14   2.464   1.470   6.719
   96   HG22  ILE  14          HG22      ILE  14   0.828   1.045   7.225
   97   HG23  ILE  14          HG23      ILE  14   1.935   1.802   8.369
   98   HD11  ILE  14          HD11      ILE  14  -0.298   5.560   7.242
   99   HD12  ILE  14          HD12      ILE  14  -1.780   4.831   7.867
  100   HD13  ILE  14          HD13      ILE  14  -1.256   4.492   6.218
  101    H    VAL  15           HN       VAL  15   3.104   4.239   4.661
  102    HA   VAL  15           HA       VAL  15   5.191   2.393   4.814
  103    HB   VAL  15           HB       VAL  15   4.684   4.606   2.802
  104   HG11  VAL  15          HG11      VAL  15   7.042   4.071   2.835
  105   HG12  VAL  15          HG12      VAL  15   6.274   3.493   1.352
  106   HG13  VAL  15          HG13      VAL  15   6.680   2.350   2.649
  107   HG21  VAL  15          HG21      VAL  15   3.975   2.761   1.377
  108   HG22  VAL  15          HG22      VAL  15   3.027   2.832   2.862
  109   HG23  VAL  15          HG23      VAL  15   4.299   1.623   2.684
  110    H    ASN  16           HN       ASN  16   5.122   5.823   5.359
  111    HA   ASN  16           HA       ASN  16   7.844   6.453   5.480
  112    HB2  ASN  16           HB2      ASN  16   5.687   7.906   5.594
  113    HB3  ASN  16           HB1      ASN  16   5.796   7.620   7.322
  114   HD21  ASN  16          HD21      ASN  16   8.275   8.226   4.870
  115   HD22  ASN  16          HD22      ASN  16   8.910   9.634   5.613
  116    H    GLU  17           HN       GLU  17   5.645   4.979   7.745
  117    HA   GLU  17           HA       GLU  17   7.366   5.120  10.046
  118    HB2  GLU  17           HB2      GLU  17   4.860   3.521   9.542
  119    HB3  GLU  17           HB1      GLU  17   5.633   3.761  11.103
  120    HG2  GLU  17           HG2      GLU  17   4.516   5.889   9.365
  121    HG3  GLU  17           HG1      GLU  17   3.657   5.189  10.749
  122    H    ILE  18           HN       ILE  18   6.022   2.513   8.089
  123    HA   ILE  18           HA       ILE  18   7.416   0.382   9.305
  124    HB   ILE  18           HB       ILE  18   6.311   0.499   6.500
  125   HG12  ILE  18          HG12      ILE  18   4.595   1.111   8.147
  126   HG13  ILE  18          HG11      ILE  18   4.265  -0.465   7.448
  127   HG21  ILE  18          HG21      ILE  18   6.118  -1.945   6.715
  128   HG22  ILE  18          HG22      ILE  18   6.904  -1.860   8.293
  129   HG23  ILE  18          HG23      ILE  18   7.793  -1.403   6.843
  130   HD11  ILE  18          HD11      ILE  18   5.146  -1.523   9.480
  131   HD12  ILE  18          HD12      ILE  18   3.772  -0.464   9.781
  132   HD13  ILE  18          HD13      ILE  18   5.409   0.082  10.181
  133    H    ALA  19           HN       ALA  19   8.028   2.074   6.223
  134    HA   ALA  19           HA       ALA  19  10.581   0.602   6.041
  135    HB1  ALA  19           HB1      ALA  19   9.020   1.878   3.808
  136    HB2  ALA  19           HB2      ALA  19   9.016   0.163   4.215
  137    HB3  ALA  19           HB3      ALA  19  10.496   0.930   3.639
  138    H    GLY  20           HN       GLY  20   9.178   3.760   6.089
  139    HA2  GLY  20           HA2      GLY  20  10.344   5.711   6.656
  140    HA3  GLY  20           HA1      GLY  20  11.855   4.881   6.308
  141    H    ILE  21           HN       ILE  21   9.183   4.834   4.121
  142    HA   ILE  21           HA       ILE  21  10.826   6.204   2.141
  143    HB   ILE  21           HB       ILE  21   8.100   4.890   1.831
  144   HG12  ILE  21          HG12      ILE  21   9.721   3.196   2.464
  145   HG13  ILE  21          HG11      ILE  21   9.295   3.000   0.772
  146   HG21  ILE  21          HG21      ILE  21  10.045   5.775  -0.286
  147   HG22  ILE  21          HG22      ILE  21   8.492   6.524   0.095
  148   HG23  ILE  21          HG23      ILE  21   8.543   4.893  -0.573
  149   HD11  ILE  21          HD11      ILE  21  11.667   2.652   1.157
  150   HD12  ILE  21          HD12      ILE  21  11.809   4.280   1.825
  151   HD13  ILE  21          HD13      ILE  21  11.393   4.055   0.125
  152    HA   PRO  22           HA       PRO  22   9.084  10.165   3.076
  153    HB2  PRO  22           HB2      PRO  22   9.217  10.508   0.113
  154    HB3  PRO  22           HB1      PRO  22   9.788  11.585   1.395
  155    HG2  PRO  22           HG2      PRO  22  11.514  10.092   0.062
  156    HG3  PRO  22           HG1      PRO  22  11.675  10.299   1.816
  157    HD2  PRO  22           HD2      PRO  22  10.679   7.951   0.265
  158    HD3  PRO  22           HD1      PRO  22  11.626   7.994   1.764
  159    H    VAL  23           HN       VAL  23   7.198  11.231   3.055
  160    HA   VAL  23           HA       VAL  23   4.906   9.677   2.376
  161    HB   VAL  23           HB       VAL  23   3.558  11.474   3.395
  162   HG11  VAL  23          HG11      VAL  23   4.434  11.274   5.651
  163   HG12  VAL  23          HG12      VAL  23   5.949  10.645   4.999
  164   HG13  VAL  23          HG13      VAL  23   4.451   9.734   4.791
  165   HG21  VAL  23          HG21      VAL  23   4.864  13.389   2.690
  166   HG22  VAL  23          HG22      VAL  23   6.215  12.847   3.674
  167   HG23  VAL  23          HG23      VAL  23   4.720  13.386   4.454
  168    H    GLU  24           HN       GLU  24   6.622  11.664   0.493
  169    HA   GLU  24           HA       GLU  24   4.314  12.177  -1.281
  170    HB2  GLU  24           HB2      GLU  24   6.906  13.707  -0.996
  171    HB3  GLU  24           HB1      GLU  24   5.686  14.030  -2.217
  172    HG2  GLU  24           HG2      GLU  24   4.134  14.774  -0.610
  173    HG3  GLU  24           HG1      GLU  24   5.101  14.131   0.720
  174    H    ASP  25           HN       ASP  25   6.408   9.952  -0.810
  175    HA   ASP  25           HA       ASP  25   7.447   9.885  -3.559
  176    HB2  ASP  25           HB2      ASP  25   9.143  10.101  -1.798
  177    HB3  ASP  25           HB1      ASP  25   8.613   8.581  -1.102
  178    H    VAL  26           HN       VAL  26   5.305   8.274  -1.359
  179    HA   VAL  26           HA       VAL  26   5.458   5.794  -2.822
  180    HB   VAL  26           HB       VAL  26   3.575   6.629  -0.580
  181   HG11  VAL  26          HG11      VAL  26   2.814   4.682  -1.809
  182   HG12  VAL  26          HG12      VAL  26   3.316   4.232  -0.176
  183   HG13  VAL  26          HG13      VAL  26   4.369   3.891  -1.551
  184   HG21  VAL  26          HG21      VAL  26   5.073   5.462   0.968
  185   HG22  VAL  26          HG22      VAL  26   5.852   6.849   0.208
  186   HG23  VAL  26          HG23      VAL  26   6.225   5.217  -0.344
  187    H    LYS  27           HN       LYS  27   4.965   7.106  -4.690
  188    HA   LYS  27           HA       LYS  27   2.223   8.105  -4.911
  189    HB2  LYS  27           HB2      LYS  27   4.572   8.516  -6.772
  190    HB3  LYS  27           HB1      LYS  27   2.999   9.299  -6.864
  191    HG2  LYS  27           HG2      LYS  27   4.907   9.611  -4.562
  192    HG3  LYS  27           HG1      LYS  27   4.770  10.736  -5.908
  193    HD2  LYS  27           HD2      LYS  27   2.502  10.020  -4.033
  194    HD3  LYS  27           HD1      LYS  27   3.536  11.439  -3.849
  195    HE2  LYS  27           HE2      LYS  27   2.823  12.186  -6.096
  196    HE3  LYS  27           HE1      LYS  27   1.727  10.808  -6.177
  197    HZ1  LYS  27           HZ1      LYS  27   0.500  11.743  -4.259
  198    HZ2  LYS  27           HZ2      LYS  27   0.610  12.835  -5.523
  199    HZ3  LYS  27           HZ3      LYS  27   1.601  13.027  -4.194
  200    H    LEU  28           HN       LEU  28   1.266   7.806  -7.187
  201    HA   LEU  28           HA       LEU  28   0.443   5.229  -7.481
  202    HB2  LEU  28           HB2      LEU  28   0.494   7.401  -9.559
  203    HB3  LEU  28           HB1      LEU  28  -0.302   5.860  -9.812
  204    HG   LEU  28           HG       LEU  28  -1.014   7.827  -7.621
  205   HD11  LEU  28          HD11      LEU  28  -2.420   7.172 -10.199
  206   HD12  LEU  28          HD12      LEU  28  -1.628   8.708  -9.806
  207   HD13  LEU  28          HD13      LEU  28  -3.057   8.181  -8.905
  208   HD21  LEU  28          HD21      LEU  28  -2.943   6.417  -7.293
  209   HD22  LEU  28          HD22      LEU  28  -1.457   5.490  -7.064
  210   HD23  LEU  28          HD23      LEU  28  -2.384   5.332  -8.560
  211    H    ASP  29           HN       ASP  29   3.041   6.670  -9.349
  212    HA   ASP  29           HA       ASP  29   3.400   4.274 -10.914
  213    HB2  ASP  29           HB2      ASP  29   3.766   6.457 -11.914
  214    HB3  ASP  29           HB1      ASP  29   5.028   6.816 -10.746
  215    H    LYS  30           HN       LYS  30   4.137   4.600  -7.754
  216    HA   LYS  30           HA       LYS  30   6.859   3.613  -8.047
  217    HB2  LYS  30           HB2      LYS  30   5.523   4.927  -5.679
  218    HB3  LYS  30           HB1      LYS  30   7.135   4.210  -5.693
  219    HG2  LYS  30           HG2      LYS  30   6.440   6.384  -7.633
  220    HG3  LYS  30           HG1      LYS  30   6.916   6.765  -5.980
  221    HD2  LYS  30           HD2      LYS  30   8.880   6.874  -7.338
  222    HD3  LYS  30           HD1      LYS  30   8.998   5.426  -6.351
  223    HE2  LYS  30           HE2      LYS  30   9.728   4.745  -8.453
  224    HE3  LYS  30           HE1      LYS  30   8.066   4.191  -8.386
  225    HZ1  LYS  30           HZ1      LYS  30   9.062   6.608  -9.750
  226    HZ2  LYS  30           HZ2      LYS  30   7.430   6.183  -9.747
  227    HZ3  LYS  30           HZ3      LYS  30   8.568   5.195 -10.506
  228    H    SER  31           HN       SER  31   7.215   1.606  -7.801
  229    HA   SER  31           HA       SER  31   5.212  -0.175  -6.768
  230    HB2  SER  31           HB2      SER  31   6.486  -0.687  -8.819
  231    HB3  SER  31           HB1      SER  31   7.968  -0.733  -7.870
  232    HG   SER  31           HG       SER  31   7.056  -2.830  -8.214
  233    H    PHE  32           HN       PHE  32   5.230  -1.219  -4.959
  234    HA   PHE  32           HA       PHE  32   6.672  -0.362  -2.695
  235    HB2  PHE  32           HB2      PHE  32   5.250  -2.982  -3.128
  236    HB3  PHE  32           HB1      PHE  32   5.759  -2.379  -1.569
  237    HD1  PHE  32           HD1      PHE  32   4.727  -0.083  -0.913
  238    HD2  PHE  32           HD2      PHE  32   3.156  -2.621  -3.920
  239    HE1  PHE  32           HE1      PHE  32   2.542   1.011  -0.668
  240    HE2  PHE  32           HE2      PHE  32   0.961  -1.527  -3.705
  241    HZ   PHE  32           HZ       PHE  32   0.626   0.250  -2.148
  242    H    THR  33           HN       THR  33   6.704  -3.602  -4.094
  243    HA   THR  33           HA       THR  33   9.300  -3.976  -2.918
  244    HB   THR  33           HB       THR  33   7.495  -6.062  -4.164
  245    HG1  THR  33           HG1      THR  33   6.197  -5.624  -2.521
  246   HG21  THR  33          HG21      THR  33   8.650  -7.502  -2.578
  247   HG22  THR  33          HG22      THR  33   9.518  -6.086  -1.962
  248   HG23  THR  33          HG23      THR  33   9.820  -6.658  -3.613
  249    H    ASP  34           HN       ASP  34   9.931  -2.449  -4.671
  250    HA   ASP  34           HA       ASP  34  11.462  -3.792  -6.637
  251    HB2  ASP  34           HB2      ASP  34   9.420  -3.918  -7.940
  252    HB3  ASP  34           HB1      ASP  34   9.090  -2.215  -7.666
  253    H    ASP  35           HN       ASP  35   9.843  -0.654  -6.099
  254    HA   ASP  35           HA       ASP  35  12.371   0.626  -6.828
  255    HB2  ASP  35           HB2      ASP  35  10.324   1.199  -8.140
  256    HB3  ASP  35           HB1      ASP  35   9.614   1.825  -6.660
  257    H    LEU  36           HN       LEU  36   9.691   0.892  -4.542
  258    HA   LEU  36           HA       LEU  36  11.051   2.803  -2.922
  259    HB2  LEU  36           HB2      LEU  36   8.616   1.143  -2.299
  260    HB3  LEU  36           HB1      LEU  36   9.138   2.567  -1.426
  261    HG   LEU  36           HG       LEU  36   8.100   2.460  -4.250
  262   HD11  LEU  36          HD11      LEU  36   6.263   3.795  -3.369
  263   HD12  LEU  36          HD12      LEU  36   6.948   3.665  -1.750
  264   HD13  LEU  36          HD13      LEU  36   6.374   2.220  -2.586
  265   HD21  LEU  36          HD21      LEU  36   9.837   4.113  -4.101
  266   HD22  LEU  36          HD22      LEU  36   9.098   4.830  -2.664
  267   HD23  LEU  36          HD23      LEU  36   8.271   4.915  -4.225
  268    H    ASP  37           HN       ASP  37  10.291  -0.610  -2.676
  269    HA   ASP  37           HA       ASP  37  11.009  -2.310  -1.474
  270    HB2  ASP  37           HB2      ASP  37  13.434  -0.573  -0.912
  271    HB3  ASP  37           HB1      ASP  37  13.277  -2.213  -0.304
  272    H    VAL  38           HN       VAL  38   9.646  -2.711  -0.010
  273    HA   VAL  38           HA       VAL  38   9.574  -0.962   2.364
  274    HB   VAL  38           HB       VAL  38   7.254  -2.672   1.387
  275   HG11  VAL  38          HG11      VAL  38   7.335  -0.286   3.226
  276   HG12  VAL  38          HG12      VAL  38   7.112  -1.968   3.704
  277   HG13  VAL  38          HG13      VAL  38   5.884  -1.157   2.733
  278   HG21  VAL  38          HG21      VAL  38   6.266  -0.658   0.385
  279   HG22  VAL  38          HG22      VAL  38   7.781  -1.101  -0.402
  280   HG23  VAL  38          HG23      VAL  38   7.743   0.236   0.745
  281    H    ASP  39           HN       ASP  39  11.297  -3.109   1.838
  282    HA   ASP  39           HA       ASP  39  12.338  -4.836   2.823
  283    HB2  ASP  39           HB2      ASP  39  11.837  -3.372   4.864
  284    HB3  ASP  39           HB1      ASP  39  10.483  -4.484   5.123
  285    H    SER  40           HN       SER  40   9.658  -5.033   1.578
  286    HA   SER  40           HA       SER  40   8.186  -6.509   0.748
  287    HB2  SER  40           HB2      SER  40   9.064  -8.725   0.198
  288    HB3  SER  40           HB1      SER  40  10.205  -7.434  -0.167
  289    H    LEU  41           HN       LEU  41   9.547  -8.649   3.163
  290    HA   LEU  41           HA       LEU  41   7.026  -9.741   3.802
  291    HB2  LEU  41           HB2      LEU  41   8.205 -10.748   5.796
  292    HB3  LEU  41           HB1      LEU  41   8.872 -11.133   4.232
  293    HG   LEU  41           HG       LEU  41  10.622  -9.332   4.700
  294   HD11  LEU  41          HD11      LEU  41   9.609  -9.641   7.513
  295   HD12  LEU  41          HD12      LEU  41   9.468  -8.208   6.505
  296   HD13  LEU  41          HD13      LEU  41  11.064  -8.769   7.010
  297   HD21  LEU  41          HD21      LEU  41  10.536 -11.783   6.436
  298   HD22  LEU  41          HD22      LEU  41  11.977 -10.845   6.050
  299   HD23  LEU  41          HD23      LEU  41  11.111 -11.696   4.772
  300    H    SER  42           HN       SER  42   8.765  -7.039   5.013
  301    HA   SER  42           HA       SER  42   7.114  -6.662   7.275
  302    HB2  SER  42           HB2      SER  42   9.110  -4.811   5.984
  303    HB3  SER  42           HB1      SER  42   8.284  -4.508   7.518
  304    HG   SER  42           HG       SER  42  10.447  -6.015   7.011
  305    H    MET  43           HN       MET  43   6.594  -6.083   3.988
  306    HA   MET  43           HA       MET  43   5.245  -3.671   4.288
  307    HB2  MET  43           HB2      MET  43   4.330  -3.893   2.042
  308    HB3  MET  43           HB1      MET  43   5.964  -4.496   2.032
  309    HG2  MET  43           HG2      MET  43   4.570  -5.880   0.649
  310    HG3  MET  43           HG1      MET  43   5.112  -6.800   2.040
  311    HE1  MET  43           HE1      MET  43   1.653  -8.404   1.420
  312    HE2  MET  43           HE2      MET  43   3.423  -8.593   1.477
  313    HE3  MET  43           HE3      MET  43   2.666  -7.706   0.143
  314    H    VAL  44           HN       VAL  44   4.417  -6.870   5.071
  315    HA   VAL  44           HA       VAL  44   1.671  -6.739   4.872
  316    HB   VAL  44           HB       VAL  44   3.378  -8.414   6.754
  317   HG11  VAL  44          HG11      VAL  44   1.121  -8.241   7.695
  318   HG12  VAL  44          HG12      VAL  44   1.418  -9.866   7.074
  319   HG13  VAL  44          HG13      VAL  44   0.431  -8.736   6.150
  320   HG21  VAL  44          HG21      VAL  44   2.903 -10.200   5.158
  321   HG22  VAL  44          HG22      VAL  44   3.714  -8.828   4.388
  322   HG23  VAL  44          HG23      VAL  44   1.981  -9.066   4.169
  323    H    GLU  45           HN       GLU  45   3.900  -5.492   7.200
  324    HA   GLU  45           HA       GLU  45   1.976  -4.958   9.206
  325    HB2  GLU  45           HB2      GLU  45   4.753  -3.857   8.830
  326    HB3  GLU  45           HB1      GLU  45   3.759  -3.615  10.263
  327    HG2  GLU  45           HG2      GLU  45   3.678  -6.101  10.507
  328    HG3  GLU  45           HG1      GLU  45   4.871  -6.192   9.218
  329    H    VAL  46           HN       VAL  46   3.180  -3.348   6.388
  330    HA   VAL  46           HA       VAL  46   2.147  -0.758   6.882
  331    HB   VAL  46           HB       VAL  46   2.397  -2.178   4.200
  332   HG11  VAL  46          HG11      VAL  46   0.985  -0.207   4.065
  333   HG12  VAL  46          HG12      VAL  46   2.511   0.073   3.230
  334   HG13  VAL  46          HG13      VAL  46   2.239   0.769   4.826
  335   HG21  VAL  46          HG21      VAL  46   4.531  -2.140   5.342
  336   HG22  VAL  46          HG22      VAL  46   4.377  -0.406   5.608
  337   HG23  VAL  46          HG23      VAL  46   4.544  -1.037   3.966
  338    H    VAL  47           HN       VAL  47   0.938  -3.608   5.168
  339    HA   VAL  47           HA       VAL  47  -1.517  -2.862   4.242
  340    HB   VAL  47           HB       VAL  47  -0.927  -5.519   5.591
  341   HG11  VAL  47          HG11      VAL  47  -3.315  -5.198   5.187
  342   HG12  VAL  47          HG12      VAL  47  -2.656  -6.429   4.108
  343   HG13  VAL  47          HG13      VAL  47  -2.984  -4.808   3.500
  344   HG21  VAL  47          HG21      VAL  47  -0.343  -6.305   3.346
  345   HG22  VAL  47          HG22      VAL  47   0.722  -5.009   3.888
  346   HG23  VAL  47          HG23      VAL  47  -0.560  -4.669   2.724
  347    H    VAL  48           HN       VAL  48  -0.948  -4.210   7.469
  348    HA   VAL  48           HA       VAL  48  -3.445  -4.151   8.631
  349    HB   VAL  48           HB       VAL  48  -0.903  -3.245  10.006
  350   HG11  VAL  48          HG11      VAL  48  -1.910  -4.184  12.033
  351   HG12  VAL  48          HG12      VAL  48  -3.371  -4.567  11.121
  352   HG13  VAL  48          HG13      VAL  48  -2.896  -2.886  11.357
  353   HG21  VAL  48          HG21      VAL  48  -1.953  -6.029   9.573
  354   HG22  VAL  48          HG22      VAL  48  -0.551  -5.602  10.563
  355   HG23  VAL  48          HG23      VAL  48  -0.522  -5.323   8.820
  356    H    ALA  49           HN       ALA  49  -1.120  -1.476   8.798
  357    HA   ALA  49           HA       ALA  49  -3.023   0.269  10.039
  358    HB1  ALA  49           HB1      ALA  49  -0.235   0.864   9.056
  359    HB2  ALA  49           HB2      ALA  49  -0.658   0.320  10.678
  360    HB3  ALA  49           HB3      ALA  49  -1.211   1.893  10.103
  361    H    ALA  50           HN       ALA  50  -1.921  -0.346   6.825
  362    HA   ALA  50           HA       ALA  50  -2.934   2.035   5.648
  363    HB1  ALA  50           HB1      ALA  50  -2.476  -0.684   4.399
  364    HB2  ALA  50           HB2      ALA  50  -1.290   0.620   4.478
  365    HB3  ALA  50           HB3      ALA  50  -2.756   0.817   3.517
  366    H    GLU  51           HN       GLU  51  -4.214  -1.225   6.205
  367    HA   GLU  51           HA       GLU  51  -6.713  -0.844   5.096
  368    HB2  GLU  51           HB2      GLU  51  -5.833  -2.557   7.404
  369    HB3  GLU  51           HB1      GLU  51  -7.490  -2.541   6.843
  370    HG2  GLU  51           HG2      GLU  51  -6.796  -3.341   4.689
  371    HG3  GLU  51           HG1      GLU  51  -5.105  -3.403   5.138
  372    H    GLU  52           HN       GLU  52  -5.446  -0.148   8.213
  373    HA   GLU  52           HA       GLU  52  -7.761   0.828   9.467
  374    HB2  GLU  52           HB2      GLU  52  -5.689   0.051  10.557
  375    HB3  GLU  52           HB1      GLU  52  -4.864   1.478   9.962
  376    HG2  GLU  52           HG2      GLU  52  -6.394   2.860  11.302
  377    HG3  GLU  52           HG1      GLU  52  -7.105   1.381  11.955
  378    H    ARG  53           HN       ARG  53  -5.607   2.223   7.152
  379    HA   ARG  53           HA       ARG  53  -6.039   5.006   7.829
  380    HB2  ARG  53           HB2      ARG  53  -3.890   4.174   6.914
  381    HB3  ARG  53           HB1      ARG  53  -4.704   3.748   5.426
  382    HG2  ARG  53           HG2      ARG  53  -3.696   5.740   4.873
  383    HG3  ARG  53           HG1      ARG  53  -5.312   6.265   5.325
  384    HD2  ARG  53           HD2      ARG  53  -2.854   6.373   7.084
  385    HD3  ARG  53           HD1      ARG  53  -3.571   7.735   6.238
  386    HE   ARG  53           HE       ARG  53  -4.964   6.242   8.349
  387   HH11  ARG  53          HH11      ARG  53  -3.773   9.329   7.037
  388   HH12  ARG  53          HH12      ARG  53  -4.713  10.286   8.098
  389   HH21  ARG  53          HH21      ARG  53  -6.135   7.517   9.826
  390   HH22  ARG  53          HH22      ARG  53  -6.111   9.231   9.759
  391    H    PHE  54           HN       PHE  54  -7.084   2.746   5.321
  392    HA   PHE  54           HA       PHE  54  -8.674   4.868   3.976
  393    HB2  PHE  54           HB2      PHE  54  -8.281   2.064   3.004
  394    HB3  PHE  54           HB1      PHE  54  -8.664   3.487   2.056
  395    HD1  PHE  54           HD1      PHE  54  -6.592   5.365   2.717
  396    HD2  PHE  54           HD2      PHE  54  -6.390   1.144   2.349
  397    HE1  PHE  54           HE1      PHE  54  -4.210   5.538   2.195
  398    HE2  PHE  54           HE2      PHE  54  -3.983   1.299   1.836
  399    HZ   PHE  54           HZ       PHE  54  -2.888   3.497   1.764
  400    H    ASP  55           HN       ASP  55  -8.971   2.304   6.093
  401    HA   ASP  55           HA       ASP  55 -10.394   0.799   6.705
  402    HB2  ASP  55           HB2      ASP  55 -11.875   2.728   7.330
  403    HB3  ASP  55           HB1      ASP  55 -12.638   2.611   5.742
  404    H    VAL  56           HN       VAL  56  -9.466  -0.379   5.265
  405    HA   VAL  56           HA       VAL  56 -11.213  -1.240   3.112
  406    HB   VAL  56           HB       VAL  56  -9.136  -2.078   1.933
  407   HG11  VAL  56          HG11      VAL  56  -8.552   0.102   1.013
  408   HG12  VAL  56          HG12      VAL  56  -9.548   0.863   2.278
  409   HG13  VAL  56          HG13      VAL  56 -10.271  -0.233   1.092
  410   HG21  VAL  56          HG21      VAL  56  -7.585  -1.942   3.782
  411   HG22  VAL  56          HG22      VAL  56  -7.774  -0.189   3.821
  412   HG23  VAL  56          HG23      VAL  56  -7.037  -0.965   2.420
  413    H    LYS  57           HN       LYS  57 -10.542  -3.390   2.437
  414    HA   LYS  57           HA       LYS  57  -9.935  -5.079   4.767
  415    HB2  LYS  57           HB2      LYS  57 -12.204  -5.471   2.784
  416    HB3  LYS  57           HB1      LYS  57 -11.573  -6.781   3.759
  417    HG2  LYS  57           HG2      LYS  57 -13.622  -5.935   4.770
  418    HG3  LYS  57           HG1      LYS  57 -12.264  -5.567   5.817
  419    HD2  LYS  57           HD2      LYS  57 -12.294  -3.219   4.951
  420    HD3  LYS  57           HD1      LYS  57 -13.708  -3.631   3.977
  421    HE2  LYS  57           HE2      LYS  57 -15.007  -4.094   5.956
  422    HE3  LYS  57           HE1      LYS  57 -13.594  -3.905   6.985
  423    HZ1  LYS  57           HZ1      LYS  57 -13.569  -1.501   6.429
  424    HZ2  LYS  57           HZ2      LYS  57 -14.987  -1.942   7.107
  425    HZ3  LYS  57           HZ3      LYS  57 -14.932  -1.662   5.463
  426    H    ILE  58           HN       ILE  58  -7.926  -5.628   4.213
  427    HA   ILE  58           HA       ILE  58  -7.592  -6.754   1.537
  428    HB   ILE  58           HB       ILE  58  -5.540  -5.058   2.991
  429   HG12  ILE  58          HG12      ILE  58  -7.166  -4.446   0.506
  430   HG13  ILE  58          HG11      ILE  58  -7.421  -3.721   2.089
  431   HG21  ILE  58          HG21      ILE  58  -4.271  -5.248   0.908
  432   HG22  ILE  58          HG22      ILE  58  -5.561  -6.253   0.248
  433   HG23  ILE  58          HG23      ILE  58  -4.588  -6.856   1.599
  434   HD11  ILE  58          HD11      ILE  58  -4.953  -3.432   0.385
  435   HD12  ILE  58          HD12      ILE  58  -5.203  -2.696   1.968
  436   HD13  ILE  58          HD13      ILE  58  -6.215  -2.218   0.606
  437    HA   PRO  59           HA       PRO  59  -5.880 -10.015   4.084
  438    HB2  PRO  59           HB2      PRO  59  -5.948 -11.857   1.970
  439    HB3  PRO  59           HB1      PRO  59  -7.213 -11.609   3.177
  440    HG2  PRO  59           HG2      PRO  59  -7.257 -10.955   0.374
  441    HG3  PRO  59           HG1      PRO  59  -8.563 -10.853   1.561
  442    HD2  PRO  59           HD2      PRO  59  -6.915  -8.737   0.456
  443    HD3  PRO  59           HD1      PRO  59  -8.370  -8.611   1.462
  444    H    ASP  60           HN       ASP  60  -3.728 -10.554   4.308
  445    HA   ASP  60           HA       ASP  60  -1.900  -9.132   2.727
  446    HB2  ASP  60           HB2      ASP  60  -0.091 -10.076   3.955
  447    HB3  ASP  60           HB1      ASP  60  -1.361  -9.590   5.074
  448    H    ASP  61           HN       ASP  61  -3.072 -12.332   2.265
  449    HA   ASP  61           HA       ASP  61  -0.810 -12.986   0.626
  450    HB2  ASP  61           HB2      ASP  61  -2.127 -14.794   1.717
  451    HB3  ASP  61           HB1      ASP  61  -3.478 -14.413   0.649
  452    H    ASP  62           HN       ASP  62  -3.797 -11.452   0.187
  453    HA   ASP  62           HA       ASP  62  -3.828 -11.780  -2.684
  454    HB2  ASP  62           HB2      ASP  62  -5.862 -11.523  -1.092
  455    HB3  ASP  62           HB1      ASP  62  -5.452  -9.806  -1.149
  456    H    VAL  63           HN       VAL  63  -2.784  -9.431  -0.315
  457    HA   VAL  63           HA       VAL  63  -2.472  -7.322  -2.185
  458    HB   VAL  63           HB       VAL  63  -2.786  -6.939   0.262
  459   HG11  VAL  63          HG11      VAL  63  -1.372  -8.632   1.159
  460   HG12  VAL  63          HG12      VAL  63  -0.868  -7.045   1.758
  461   HG13  VAL  63          HG13      VAL  63   0.036  -7.839   0.463
  462   HG21  VAL  63          HG21      VAL  63  -1.992  -5.136  -1.104
  463   HG22  VAL  63          HG22      VAL  63  -0.328  -5.683  -0.897
  464   HG23  VAL  63          HG23      VAL  63  -1.238  -5.075   0.487
  465    H    LYS  64           HN       LYS  64  -0.599 -10.024  -1.337
  466    HA   LYS  64           HA       LYS  64   2.011  -9.388  -1.985
  467    HB2  LYS  64           HB2      LYS  64   0.436 -11.903  -2.404
  468    HB3  LYS  64           HB1      LYS  64   2.143 -11.808  -2.779
  469    HG2  LYS  64           HG2      LYS  64   2.704 -11.492  -0.511
  470    HG3  LYS  64           HG1      LYS  64   1.016 -11.203  -0.068
  471    HD2  LYS  64           HD2      LYS  64   1.770 -13.504   0.530
  472    HD3  LYS  64           HD1      LYS  64   0.438 -13.475  -0.629
  473    HE2  LYS  64           HE2      LYS  64   2.054 -13.814  -2.449
  474    HE3  LYS  64           HE1      LYS  64   3.323 -13.999  -1.234
  475    HZ1  LYS  64           HZ1      LYS  64   2.295 -15.925  -0.380
  476    HZ2  LYS  64           HZ2      LYS  64   2.225 -16.138  -2.050
  477    HZ3  LYS  64           HZ3      LYS  64   0.864 -15.634  -1.183
  478    H    ASN  65           HN       ASN  65  -0.696  -9.394  -4.041
  479    HA   ASN  65           HA       ASN  65   0.645 -10.262  -6.481
  480    HB2  ASN  65           HB2      ASN  65  -2.212  -9.392  -6.020
  481    HB3  ASN  65           HB1      ASN  65  -1.573 -10.132  -7.477
  482   HD21  ASN  65          HD21      ASN  65  -3.724 -10.934  -5.657
  483   HD22  ASN  65          HD22      ASN  65  -3.364 -12.524  -5.108
  484    H    LEU  66           HN       LEU  66   0.567  -7.450  -4.831
  485    HA   LEU  66           HA       LEU  66  -0.302  -5.710  -6.957
  486    HB2  LEU  66           HB2      LEU  66   0.757  -5.130  -4.219
  487    HB3  LEU  66           HB1      LEU  66   0.243  -3.883  -5.319
  488    HG   LEU  66           HG       LEU  66  -1.426  -6.001  -3.980
  489   HD11  LEU  66          HD11      LEU  66  -0.886  -4.098  -2.622
  490   HD12  LEU  66          HD12      LEU  66  -2.600  -4.100  -3.043
  491   HD13  LEU  66          HD13      LEU  66  -1.487  -3.005  -3.870
  492   HD21  LEU  66          HD21      LEU  66  -2.289  -4.035  -6.101
  493   HD22  LEU  66          HD22      LEU  66  -3.361  -5.066  -5.138
  494   HD23  LEU  66          HD23      LEU  66  -2.215  -5.791  -6.260
  495    H    LYS  67           HN       LYS  67   1.080  -3.672  -7.254
  496    HA   LYS  67           HA       LYS  67   3.899  -4.347  -7.430
  497    HB2  LYS  67           HB2      LYS  67   2.956  -4.682  -9.641
  498    HB3  LYS  67           HB1      LYS  67   2.194  -3.096  -9.592
  499    HG2  LYS  67           HG2      LYS  67   4.548  -2.181  -9.289
  500    HG3  LYS  67           HG1      LYS  67   5.090  -3.779  -9.808
  501    HD2  LYS  67           HD2      LYS  67   3.911  -3.528 -11.900
  502    HD3  LYS  67           HD1      LYS  67   3.220  -1.999 -11.294
  503    HE2  LYS  67           HE2      LYS  67   5.077  -1.531 -12.768
  504    HE3  LYS  67           HE1      LYS  67   5.363  -1.060 -11.084
  505    HZ1  LYS  67           HZ1      LYS  67   7.324  -2.067 -12.037
  506    HZ2  LYS  67           HZ2      LYS  67   6.517  -3.468 -12.428
  507    HZ3  LYS  67           HZ3      LYS  67   6.763  -3.066 -10.806
  508    H    THR  68           HN       THR  68   2.015  -1.535  -8.525
  509    HA   THR  68           HA       THR  68   3.720   0.214  -6.946
  510    HB   THR  68           HB       THR  68   2.674   1.941  -8.419
  511    HG1  THR  68           HG1      THR  68   1.516   1.180 -10.226
  512   HG21  THR  68          HG21      THR  68   4.847   0.963  -9.028
  513   HG22  THR  68          HG22      THR  68   3.890   1.325 -10.463
  514   HG23  THR  68          HG23      THR  68   4.021  -0.337  -9.884
  515    H    VAL  69           HN       VAL  69   2.351   2.294  -6.278
  516    HA   VAL  69           HA       VAL  69   0.079   1.198  -4.990
  517    HB   VAL  69           HB       VAL  69  -0.312   3.115  -3.765
  518   HG11  VAL  69          HG11      VAL  69   1.552   2.025  -3.006
  519   HG12  VAL  69          HG12      VAL  69   1.767   3.763  -2.771
  520   HG13  VAL  69          HG13      VAL  69   2.629   2.924  -4.083
  521   HG21  VAL  69          HG21      VAL  69   0.684   5.314  -4.153
  522   HG22  VAL  69          HG22      VAL  69  -0.369   4.788  -5.463
  523   HG23  VAL  69          HG23      VAL  69   1.384   4.709  -5.654
  524    H    GLY  70           HN       GLY  70   0.698   2.439  -7.981
  525    HA2  GLY  70           HA2      GLY  70  -1.841   3.573  -8.524
  526    HA3  GLY  70           HA1      GLY  70  -0.695   2.930  -9.715
  527    H    ASP  71           HN       ASP  71  -0.339   0.458  -8.931
  528    HA   ASP  71           HA       ASP  71  -2.591  -0.990  -9.807
  529    HB2  ASP  71           HB2      ASP  71  -0.186  -1.783  -9.884
  530    HB3  ASP  71           HB1      ASP  71  -0.289  -2.025  -8.145
  531    H    ALA  72           HN       ALA  72  -1.223  -0.314  -6.638
  532    HA   ALA  72           HA       ALA  72  -3.068  -1.805  -5.126
  533    HB1  ALA  72           HB1      ALA  72  -1.540   0.609  -4.193
  534    HB2  ALA  72           HB2      ALA  72  -0.882  -1.029  -4.278
  535    HB3  ALA  72           HB3      ALA  72  -2.229  -0.672  -3.198
  536    H    THR  73           HN       THR  73  -3.249   1.473  -6.390
  537    HA   THR  73           HA       THR  73  -5.199   2.391  -4.697
  538    HB   THR  73           HB       THR  73  -4.618   3.225  -7.560
  539    HG1  THR  73           HG1      THR  73  -3.039   3.571  -5.851
  540   HG21  THR  73          HG21      THR  73  -5.892   5.249  -7.138
  541   HG22  THR  73          HG22      THR  73  -6.262   4.707  -5.515
  542   HG23  THR  73          HG23      THR  73  -6.963   3.858  -6.904
  543    H    LYS  74           HN       LYS  74  -5.650   1.032  -7.998
  544    HA   LYS  74           HA       LYS  74  -8.468   0.944  -8.019
  545    HB2  LYS  74           HB2      LYS  74  -6.541  -0.994  -9.330
  546    HB3  LYS  74           HB1      LYS  74  -8.265  -0.982  -9.617
  547    HG2  LYS  74           HG2      LYS  74  -7.303   0.046 -11.451
  548    HG3  LYS  74           HG1      LYS  74  -7.964   1.365 -10.480
  549    HD2  LYS  74           HD2      LYS  74  -5.763   1.906  -9.651
  550    HD3  LYS  74           HD1      LYS  74  -5.078   0.489 -10.440
  551    HE2  LYS  74           HE2      LYS  74  -5.656   1.439 -12.633
  552    HE3  LYS  74           HE1      LYS  74  -6.322   2.861 -11.832
  553    HZ1  LYS  74           HZ1      LYS  74  -4.041   3.226 -12.640
  554    HZ2  LYS  74           HZ2      LYS  74  -3.496   1.964 -11.678
  555    HZ3  LYS  74           HZ3      LYS  74  -4.164   3.367 -10.959
  556    H    TYR  75           HN       TYR  75  -6.101  -1.281  -6.881
  557    HA   TYR  75           HA       TYR  75  -7.644  -3.462  -6.237
  558    HB2  TYR  75           HB2      TYR  75  -5.251  -3.595  -6.310
  559    HB3  TYR  75           HB1      TYR  75  -5.089  -2.414  -5.018
  560    HD1  TYR  75           HD1      TYR  75  -6.174  -5.875  -5.792
  561    HD2  TYR  75           HD2      TYR  75  -5.161  -3.048  -2.797
  562    HE1  TYR  75           HE1      TYR  75  -6.081  -7.691  -4.132
  563    HE2  TYR  75           HE2      TYR  75  -5.076  -4.817  -1.148
  564    HH   TYR  75           HH       TYR  75  -5.656  -6.892  -0.742
  565    H    ILE  76           HN       ILE  76  -6.534  -0.796  -4.214
  566    HA   ILE  76           HA       ILE  76  -7.916  -1.550  -1.887
  567    HB   ILE  76           HB       ILE  76  -6.556   0.998  -2.758
  568   HG12  ILE  76          HG12      ILE  76  -5.833  -1.067  -0.675
  569   HG13  ILE  76          HG11      ILE  76  -5.181  -1.002  -2.307
  570   HG21  ILE  76          HG21      ILE  76  -8.335   1.637  -1.244
  571   HG22  ILE  76          HG22      ILE  76  -6.753   1.827  -0.467
  572   HG23  ILE  76          HG23      ILE  76  -7.781   0.452  -0.059
  573   HD11  ILE  76          HD11      ILE  76  -3.635  -0.085  -0.679
  574   HD12  ILE  76          HD12      ILE  76  -4.858   1.100  -0.189
  575   HD13  ILE  76          HD13      ILE  76  -4.179   1.151  -1.818
  576    H    LEU  77           HN       LEU  77  -8.778   0.444  -4.628
  577    HA   LEU  77           HA       LEU  77 -11.007   1.562  -3.451
  578    HB2  LEU  77           HB2      LEU  77 -10.413   1.039  -6.360
  579    HB3  LEU  77           HB1      LEU  77 -11.857   1.884  -5.845
  580    HG   LEU  77           HG       LEU  77  -9.025   2.811  -5.333
  581   HD11  LEU  77          HD11      LEU  77 -11.071   3.798  -7.313
  582   HD12  LEU  77          HD12      LEU  77  -9.586   2.924  -7.700
  583   HD13  LEU  77          HD13      LEU  77  -9.502   4.536  -6.992
  584   HD21  LEU  77          HD21      LEU  77 -10.602   3.558  -3.626
  585   HD22  LEU  77          HD22      LEU  77 -11.670   4.192  -4.878
  586   HD23  LEU  77          HD23      LEU  77 -10.070   4.898  -4.635
  587    H    ASP  78           HN       ASP  78 -10.512  -1.447  -5.154
  588    HA   ASP  78           HA       ASP  78 -13.264  -2.290  -5.196
  589    HB2  ASP  78           HB2      ASP  78 -11.581  -3.103  -6.817
  590    HB3  ASP  78           HB1      ASP  78 -10.724  -3.906  -5.511
  591    H    HIS  79           HN       HIS  79 -10.548  -2.700  -3.128
  592    HA   HIS  79           HA       HIS  79 -11.795  -4.677  -1.415
  593    HB2  HIS  79           HB2      HIS  79  -9.093  -3.496  -1.585
  594    HB3  HIS  79           HB1      HIS  79  -9.594  -4.257  -0.076
  595    HD1  HIS  79           HD1      HIS  79  -9.310  -6.711   0.009
  596    HD2  HIS  79           HD2      HIS  79  -9.454  -5.322  -3.899
  597    HE1  HIS  79           HE1      HIS  79  -8.826  -8.721  -1.455
  598    HE2  HIS  79           HE2      HIS  79  -8.965  -7.850  -3.819
  599    H    GLN  80           HN       GLN  80 -12.436  -1.562  -1.536
  600    HA   GLN  80           HA       GLN  80 -12.250  -1.245   1.362
  601    HB2  GLN  80           HB2      GLN  80 -12.413   1.094   1.102
  602    HB3  GLN  80           HB1      GLN  80 -11.179   0.419   0.051
  603    HG2  GLN  80           HG2      GLN  80 -12.771   0.589  -1.844
  604    HG3  GLN  80           HG1      GLN  80 -13.913   1.381  -0.762
  605   HE21  GLN  80          HE21      GLN  80 -10.426   1.846  -0.762
  606   HE22  GLN  80          HE22      GLN  80 -10.490   3.500  -1.300
  607    H    ALA  81           HN       ALA  81 -13.873  -0.534   2.571
  608    HA   ALA  81           HA       ALA  81 -16.436   0.068   1.572
  609    HB1  ALA  81           HB1      ALA  81 -15.986  -2.454   3.212
  610    HB2  ALA  81           HB2      ALA  81 -16.599  -2.400   1.560
  611    HB3  ALA  81           HB3      ALA  81 -17.560  -1.733   2.879
  612    H2   SOO 101           H2A      SOO 101   3.447  -6.047  -0.666
  613    H3   SOO 101           H3A      SOO 101   1.822  -3.962  -2.276
  614    H4   SOO 101           H4A      SOO 101   1.665  -4.780   0.608
  615    H4A  SOO 101           H4B      SOO 101   2.878  -3.532   0.330
  616    H5   SOO 101           H5A      SOO 101  -0.027  -3.342  -0.441
  617    H5A  SOO 101           H5B      SOO 101   1.195  -2.087  -0.660
  618    H6   SOO 101           H6A      SOO 101   1.504  -1.942   1.751
  619    H6A  SOO 101           H6B      SOO 101   0.348  -3.251   1.997
  620    H7   SOO 101           H7A      SOO 101  -0.319  -0.583   0.734
  621    H7A  SOO 101           H7B      SOO 101  -0.654  -1.029   2.416
  622    H8   SOO 101           H8C      SOO 101  -2.633  -1.319   1.000
  623    H8A  SOO 101           H8A      SOO 101  -2.070  -2.865   1.633
  624    H8B  SOO 101           H8B      SOO 101  -1.728  -2.422  -0.040
  625    H28  SOO 101          H28A      SOO 101  10.934 -12.074   1.719
  626   H28A  SOO 101          H28B      SOO 101   9.547 -10.980   1.737
  627    H30  SOO 101          H30A      SOO 101   7.675 -11.259   0.224
  628   H30A  SOO 101          H30B      SOO 101   7.714 -12.466  -1.051
  629   H30B  SOO 101          H30C      SOO 101   8.780 -11.071  -1.126
  630    H31  SOO 101          H31A      SOO 101  10.737 -12.534  -1.374
  631   H31A  SOO 101          H31B      SOO 101   9.735 -13.984  -1.275
  632   H31B  SOO 101          H31C      SOO 101  11.099 -13.778  -0.176
  633    H32  SOO 101          H32A      SOO 101   8.264 -14.442   0.675
  634   HO33  SOO 101          H33A      SOO 101   9.558 -14.035   2.908
  635   HN36  SOO 101          H36A      SOO 101   6.444 -12.742   0.956
  636    H37  SOO 101          H37A      SOO 101   4.769 -12.751   2.683
  637   H37A  SOO 101          H37B      SOO 101   5.995 -12.079   3.780
  638    H38  SOO 101          H38A      SOO 101   4.429 -10.370   2.793
  639   H38A  SOO 101          H38B      SOO 101   6.125 -10.091   2.474
  640   HN41  SOO 101          H41A      SOO 101   5.480  -8.791   0.774
  641    H42  SOO 101          H42A      SOO 101   5.911  -9.561  -1.765
  642   H42A  SOO 101          H42B      SOO 101   4.185  -9.837  -1.559
  643    H43  SOO 101          H43A      SOO 101   5.649  -7.309  -1.171
  644   H43A  SOO 101          H43B      SOO 101   3.942  -7.525  -0.735
  Start of MODEL    5
    1    H1   ALA   1           HT1      ALA   1 -13.373   4.049   4.281
    2    H2   ALA   1           HT2      ALA   1 -12.271   3.062   3.509
    3    H3   ALA   1           HT3      ALA   1 -13.924   2.641   3.488
    4    HA   ALA   1           HA       ALA   1 -13.302   3.595   1.382
    5    HB1  ALA   1           HB1      ALA   1 -14.798   5.525   1.316
    6    HB2  ALA   1           HB2      ALA   1 -14.788   5.601   3.076
    7    HB3  ALA   1           HB3      ALA   1 -15.504   4.211   2.258
    8    H    ALA   2           HN       ALA   2 -11.920   4.881   0.257
    9    HA   ALA   2           HA       ALA   2 -10.801   7.282   1.255
   10    HB1  ALA   2           HB1      ALA   2  -8.978   4.872   1.060
   11    HB2  ALA   2           HB2      ALA   2  -9.415   5.715   2.547
   12    HB3  ALA   2           HB3      ALA   2  -8.461   6.539   1.315
   13    H    THR   3           HN       THR   3 -10.240   8.443  -0.462
   14    HA   THR   3           HA       THR   3 -10.650   7.371  -3.093
   15    HB   THR   3           HB       THR   3 -10.145   9.704  -3.817
   16    HG1  THR   3           HG1      THR   3  -9.970  10.264  -1.043
   17   HG21  THR   3          HG21      THR   3 -12.424   9.089  -3.115
   18   HG22  THR   3          HG22      THR   3 -12.030  10.762  -2.683
   19   HG23  THR   3          HG23      THR   3 -11.989   9.499  -1.450
   20    H    GLN   4           HN       GLN   4  -8.875   8.377  -4.824
   21    HA   GLN   4           HA       GLN   4  -6.544   6.869  -4.601
   22    HB2  GLN   4           HB2      GLN   4  -7.419   7.548  -6.755
   23    HB3  GLN   4           HB1      GLN   4  -7.277   9.238  -6.345
   24    HG2  GLN   4           HG2      GLN   4  -4.858   7.476  -6.571
   25    HG3  GLN   4           HG1      GLN   4  -5.594   8.182  -8.014
   26   HE21  GLN   4          HE21      GLN   4  -5.526  10.520  -8.177
   27   HE22  GLN   4          HE22      GLN   4  -4.319  11.413  -7.311
   28    H    GLU   5           HN       GLU   5  -7.149  10.302  -4.102
   29    HA   GLU   5           HA       GLU   5  -4.519  11.043  -3.456
   30    HB2  GLU   5           HB2      GLU   5  -7.089  12.315  -2.505
   31    HB3  GLU   5           HB1      GLU   5  -5.503  13.076  -2.543
   32    HG2  GLU   5           HG2      GLU   5  -5.474  12.891  -4.981
   33    HG3  GLU   5           HG1      GLU   5  -7.064  12.135  -4.935
   34    H    GLU   6           HN       GLU   6  -6.949   9.463  -1.595
   35    HA   GLU   6           HA       GLU   6  -5.609  10.019   0.881
   36    HB2  GLU   6           HB2      GLU   6  -8.024   8.351   0.260
   37    HB3  GLU   6           HB1      GLU   6  -7.382   8.625   1.877
   38    HG2  GLU   6           HG2      GLU   6  -7.785  10.995   1.673
   39    HG3  GLU   6           HG1      GLU   6  -8.312  10.787   0.007
   40    H    ILE   7           HN       ILE   7  -6.170   7.331  -1.307
   41    HA   ILE   7           HA       ILE   7  -4.877   5.328   0.173
   42    HB   ILE   7           HB       ILE   7  -5.324   5.596  -2.817
   43   HG12  ILE   7          HG12      ILE   7  -6.734   3.899  -0.742
   44   HG13  ILE   7          HG11      ILE   7  -7.343   5.419  -1.378
   45   HG21  ILE   7          HG21      ILE   7  -4.376   3.168  -1.279
   46   HG22  ILE   7          HG22      ILE   7  -3.421   4.106  -2.425
   47   HG23  ILE   7          HG23      ILE   7  -4.819   3.192  -2.987
   48   HD11  ILE   7          HD11      ILE   7  -6.861   2.903  -2.951
   49   HD12  ILE   7          HD12      ILE   7  -7.459   4.426  -3.608
   50   HD13  ILE   7          HD13      ILE   7  -8.426   3.531  -2.435
   51    H    VAL   8           HN       VAL   8  -3.683   7.089  -2.651
   52    HA   VAL   8           HA       VAL   8  -1.080   6.073  -2.619
   53    HB   VAL   8           HB       VAL   8  -2.112   8.719  -3.690
   54   HG11  VAL   8          HG11      VAL   8   0.383   7.193  -4.385
   55   HG12  VAL   8          HG12      VAL   8   0.322   8.725  -3.498
   56   HG13  VAL   8          HG13      VAL   8  -0.193   8.657  -5.189
   57   HG21  VAL   8          HG21      VAL   8  -3.279   6.788  -4.574
   58   HG22  VAL   8          HG22      VAL   8  -1.742   6.038  -5.001
   59   HG23  VAL   8          HG23      VAL   8  -2.254   7.517  -5.809
   60    H    ALA   9           HN       ALA   9  -2.083   9.324  -1.617
   61    HA   ALA   9           HA       ALA   9   0.382  10.018  -0.468
   62    HB1  ALA   9           HB1      ALA   9  -0.780  11.968   0.411
   63    HB2  ALA   9           HB2      ALA   9  -2.335  11.194   0.072
   64    HB3  ALA   9           HB3      ALA   9  -1.273  11.647  -1.256
   65    H    GLY  10           HN       GLY  10  -2.349   8.286   0.849
   66    HA2  GLY  10           HA2      GLY  10  -1.572   8.736   3.604
   67    HA3  GLY  10           HA1      GLY  10  -2.914   7.755   3.032
   68    H    LEU  11           HN       LEU  11  -1.290   6.229   1.193
   69    HA   LEU  11           HA       LEU  11  -0.520   4.047   2.732
   70    HB2  LEU  11           HB2      LEU  11  -0.839   4.655   0.085
   71    HB3  LEU  11           HB1      LEU  11   0.903   4.481   0.198
   72    HG   LEU  11           HG       LEU  11  -1.104   2.394   1.055
   73   HD11  LEU  11          HD11      LEU  11  -1.254   2.763  -1.328
   74   HD12  LEU  11          HD12      LEU  11  -0.500   1.204  -0.993
   75   HD13  LEU  11          HD13      LEU  11   0.492   2.578  -1.490
   76   HD21  LEU  11          HD21      LEU  11   0.821   0.862   1.026
   77   HD22  LEU  11          HD22      LEU  11   1.041   2.174   2.184
   78   HD23  LEU  11          HD23      LEU  11   1.879   2.216   0.636
   79    H    ALA  12           HN       ALA  12   1.239   6.647   1.262
   80    HA   ALA  12           HA       ALA  12   3.835   5.907   1.915
   81    HB1  ALA  12           HB1      ALA  12   3.247   7.581   0.256
   82    HB2  ALA  12           HB2      ALA  12   4.426   8.165   1.430
   83    HB3  ALA  12           HB3      ALA  12   2.736   8.669   1.551
   84    H    GLU  13           HN       GLU  13   1.370   7.461   3.847
   85    HA   GLU  13           HA       GLU  13   3.121   8.506   5.821
   86    HB2  GLU  13           HB2      GLU  13   0.201   7.759   6.045
   87    HB3  GLU  13           HB1      GLU  13   1.096   8.754   7.186
   88    HG2  GLU  13           HG2      GLU  13   1.452  10.426   5.434
   89    HG3  GLU  13           HG1      GLU  13   0.539   9.421   4.309
   90    H    ILE  14           HN       ILE  14   1.187   5.564   5.574
   91    HA   ILE  14           HA       ILE  14   2.183   4.525   8.032
   92    HB   ILE  14           HB       ILE  14   0.696   3.108   5.775
   93   HG12  ILE  14          HG12      ILE  14  -1.114   2.881   7.512
   94   HG13  ILE  14          HG11      ILE  14  -0.149   3.875   8.585
   95   HG21  ILE  14          HG21      ILE  14   0.480   1.161   7.254
   96   HG22  ILE  14          HG22      ILE  14   1.549   1.943   8.421
   97   HG23  ILE  14          HG23      ILE  14   2.162   1.486   6.832
   98   HD11  ILE  14          HD11      ILE  14  -1.337   4.724   5.957
   99   HD12  ILE  14          HD12      ILE  14  -0.375   5.742   7.028
  100   HD13  ILE  14          HD13      ILE  14  -1.943   5.136   7.561
  101    H    VAL  15           HN       VAL  15   3.135   4.196   4.680
  102    HA   VAL  15           HA       VAL  15   5.209   2.330   5.025
  103    HB   VAL  15           HB       VAL  15   4.937   4.595   3.006
  104   HG11  VAL  15          HG11      VAL  15   6.688   3.474   1.703
  105   HG12  VAL  15          HG12      VAL  15   6.957   2.348   3.039
  106   HG13  VAL  15          HG13      VAL  15   7.284   4.073   3.246
  107   HG21  VAL  15          HG21      VAL  15   4.550   1.619   2.749
  108   HG22  VAL  15          HG22      VAL  15   4.394   2.796   1.447
  109   HG23  VAL  15          HG23      VAL  15   3.272   2.833   2.808
  110    H    ASN  16           HN       ASN  16   5.032   5.737   5.610
  111    HA   ASN  16           HA       ASN  16   7.790   6.223   6.010
  112    HB2  ASN  16           HB2      ASN  16   5.932   7.878   5.472
  113    HB3  ASN  16           HB1      ASN  16   5.482   7.771   7.166
  114   HD21  ASN  16          HD21      ASN  16   7.840   8.743   4.911
  115   HD22  ASN  16          HD22      ASN  16   8.675   9.874   5.914
  116    H    GLU  17           HN       GLU  17   5.150   5.194   8.038
  117    HA   GLU  17           HA       GLU  17   6.514   5.472  10.533
  118    HB2  GLU  17           HB2      GLU  17   4.177   3.694   9.822
  119    HB3  GLU  17           HB1      GLU  17   4.689   4.132  11.445
  120    HG2  GLU  17           HG2      GLU  17   3.677   5.996   9.349
  121    HG3  GLU  17           HG1      GLU  17   2.726   5.381  10.705
  122    H    ILE  18           HN       ILE  18   5.624   2.681   8.559
  123    HA   ILE  18           HA       ILE  18   6.965   0.727  10.123
  124    HB   ILE  18           HB       ILE  18   6.184   0.557   7.207
  125   HG12  ILE  18          HG12      ILE  18   4.247   1.199   8.576
  126   HG13  ILE  18          HG11      ILE  18   4.082  -0.437   7.961
  127   HG21  ILE  18          HG21      ILE  18   7.690  -1.228   7.872
  128   HG22  ILE  18          HG22      ILE  18   6.069  -1.869   7.603
  129   HG23  ILE  18          HG23      ILE  18   6.655  -1.618   9.247
  130   HD11  ILE  18          HD11      ILE  18   3.287  -0.275  10.207
  131   HD12  ILE  18          HD12      ILE  18   4.850   0.340  10.767
  132   HD13  ILE  18          HD13      ILE  18   4.711  -1.313  10.155
  133    H    ALA  19           HN       ALA  19   7.785   2.232   7.008
  134    HA   ALA  19           HA       ALA  19  10.413   0.940   7.150
  135    HB1  ALA  19           HB1      ALA  19   9.087   0.465   5.146
  136    HB2  ALA  19           HB2      ALA  19  10.585   1.309   4.755
  137    HB3  ALA  19           HB3      ALA  19   9.055   2.186   4.763
  138    H    GLY  20           HN       GLY  20   8.974   4.075   6.313
  139    HA2  GLY  20           HA2      GLY  20  10.000   6.069   7.316
  140    HA3  GLY  20           HA1      GLY  20  11.563   5.297   7.071
  141    H    ILE  21           HN       ILE  21   9.447   4.770   4.535
  142    HA   ILE  21           HA       ILE  21  10.984   6.357   2.724
  143    HB   ILE  21           HB       ILE  21   8.449   4.734   2.340
  144   HG12  ILE  21          HG12      ILE  21  10.357   3.349   2.919
  145   HG13  ILE  21          HG11      ILE  21   9.913   3.088   1.239
  146   HG21  ILE  21          HG21      ILE  21  10.166   5.975   0.209
  147   HG22  ILE  21          HG22      ILE  21   8.517   6.435   0.635
  148   HG23  ILE  21          HG23      ILE  21   8.837   4.848  -0.065
  149   HD11  ILE  21          HD11      ILE  21  12.325   3.158   1.520
  150   HD12  ILE  21          HD12      ILE  21  12.211   4.774   2.220
  151   HD13  ILE  21          HD13      ILE  21  11.774   4.512   0.532
  152    HA   PRO  22           HA       PRO  22   9.036  10.294   3.242
  153    HB2  PRO  22           HB2      PRO  22   9.387  10.383   0.277
  154    HB3  PRO  22           HB1      PRO  22   9.798  11.599   1.496
  155    HG2  PRO  22           HG2      PRO  22  11.699  10.091   0.458
  156    HG3  PRO  22           HG1      PRO  22  11.694  10.445   2.196
  157    HD2  PRO  22           HD2      PRO  22  10.938   7.939   0.771
  158    HD3  PRO  22           HD1      PRO  22  11.737   8.148   2.340
  159    H    VAL  23           HN       VAL  23   7.119  11.200   3.097
  160    HA   VAL  23           HA       VAL  23   4.963   9.558   2.305
  161    HB   VAL  23           HB       VAL  23   3.474  11.337   3.126
  162   HG11  VAL  23          HG11      VAL  23   5.791  10.743   4.938
  163   HG12  VAL  23          HG12      VAL  23   4.367   9.733   4.686
  164   HG13  VAL  23          HG13      VAL  23   4.201  11.316   5.446
  165   HG21  VAL  23          HG21      VAL  23   4.430  13.377   4.119
  166   HG22  VAL  23          HG22      VAL  23   4.752  13.277   2.381
  167   HG23  VAL  23          HG23      VAL  23   6.026  12.887   3.533
  168    H    GLU  24           HN       GLU  24   6.652  11.980   0.598
  169    HA   GLU  24           HA       GLU  24   4.562  12.026  -1.465
  170    HB2  GLU  24           HB2      GLU  24   6.922  13.795  -0.888
  171    HB3  GLU  24           HB1      GLU  24   6.111  13.829  -2.447
  172    HG2  GLU  24           HG2      GLU  24   4.725  14.212   0.156
  173    HG3  GLU  24           HG1      GLU  24   5.360  15.568  -0.803
  174    H    ASP  25           HN       ASP  25   6.591   9.940  -0.752
  175    HA   ASP  25           HA       ASP  25   7.938   9.801  -3.366
  176    HB2  ASP  25           HB2      ASP  25   9.412   9.754  -1.414
  177    HB3  ASP  25           HB1      ASP  25   8.619   8.292  -0.849
  178    H    VAL  26           HN       VAL  26   5.587   8.123  -1.363
  179    HA   VAL  26           HA       VAL  26   5.638   5.816  -3.106
  180    HB   VAL  26           HB       VAL  26   3.906   6.446  -0.676
  181   HG11  VAL  26          HG11      VAL  26   3.374   4.060  -0.654
  182   HG12  VAL  26          HG12      VAL  26   4.306   3.840  -2.133
  183   HG13  VAL  26          HG13      VAL  26   2.848   4.831  -2.150
  184   HG21  VAL  26          HG21      VAL  26   6.367   4.718  -0.870
  185   HG22  VAL  26          HG22      VAL  26   5.330   4.870   0.545
  186   HG23  VAL  26          HG23      VAL  26   6.241   6.268  -0.037
  187    H    LYS  27           HN       LYS  27   5.069   7.093  -4.901
  188    HA   LYS  27           HA       LYS  27   2.309   8.006  -4.832
  189    HB2  LYS  27           HB2      LYS  27   4.517   9.069  -6.601
  190    HB3  LYS  27           HB1      LYS  27   2.832   9.585  -6.596
  191    HG2  LYS  27           HG2      LYS  27   3.105  10.248  -4.214
  192    HG3  LYS  27           HG1      LYS  27   4.831   9.935  -4.397
  193    HD2  LYS  27           HD2      LYS  27   3.214  11.913  -6.009
  194    HD3  LYS  27           HD1      LYS  27   4.288  12.311  -4.672
  195    HE2  LYS  27           HE2      LYS  27   6.186  11.430  -5.946
  196    HE3  LYS  27           HE1      LYS  27   5.102  11.033  -7.280
  197    HZ1  LYS  27           HZ1      LYS  27   6.226  13.132  -7.666
  198    HZ2  LYS  27           HZ2      LYS  27   5.604  13.748  -6.204
  199    HZ3  LYS  27           HZ3      LYS  27   4.559  13.409  -7.460
  200    H    LEU  28           HN       LEU  28   1.504   8.204  -7.338
  201    HA   LEU  28           HA       LEU  28   0.632   5.656  -7.807
  202    HB2  LEU  28           HB2      LEU  28   0.452   8.120  -9.456
  203    HB3  LEU  28           HB1      LEU  28  -0.147   6.601 -10.077
  204    HG   LEU  28           HG       LEU  28  -1.099   7.754  -7.450
  205   HD11  LEU  28          HD11      LEU  28  -1.656   9.306  -9.275
  206   HD12  LEU  28          HD12      LEU  28  -3.087   8.473  -8.667
  207   HD13  LEU  28          HD13      LEU  28  -2.355   7.967 -10.191
  208   HD21  LEU  28          HD21      LEU  28  -2.936   6.194  -7.776
  209   HD22  LEU  28          HD22      LEU  28  -1.394   5.332  -7.792
  210   HD23  LEU  28          HD23      LEU  28  -2.232   5.668  -9.303
  211    H    ASP  29           HN       ASP  29   3.612   6.869  -9.144
  212    HA   ASP  29           HA       ASP  29   3.489   4.700 -11.131
  213    HB2  ASP  29           HB2      ASP  29   4.006   7.101 -11.861
  214    HB3  ASP  29           HB1      ASP  29   5.534   6.938 -11.009
  215    H    LYS  30           HN       LYS  30   4.218   4.723  -8.060
  216    HA   LYS  30           HA       LYS  30   6.910   3.648  -8.318
  217    HB2  LYS  30           HB2      LYS  30   5.463   4.764  -5.929
  218    HB3  LYS  30           HB1      LYS  30   7.014   3.956  -5.858
  219    HG2  LYS  30           HG2      LYS  30   6.438   6.531  -7.327
  220    HG3  LYS  30           HG1      LYS  30   7.212   6.396  -5.751
  221    HD2  LYS  30           HD2      LYS  30   9.074   6.579  -7.071
  222    HD3  LYS  30           HD1      LYS  30   8.873   4.831  -7.105
  223    HE2  LYS  30           HE2      LYS  30   7.578   5.115  -9.254
  224    HE3  LYS  30           HE1      LYS  30   8.013   6.815  -9.196
  225    HZ1  LYS  30           HZ1      LYS  30   9.874   4.514  -9.481
  226    HZ2  LYS  30           HZ2      LYS  30  10.361   6.098  -9.157
  227    HZ3  LYS  30           HZ3      LYS  30   9.515   5.751 -10.589
  228    H    SER  31           HN       SER  31   7.234   1.660  -8.098
  229    HA   SER  31           HA       SER  31   5.114  -0.130  -7.323
  230    HB2  SER  31           HB2      SER  31   7.946  -0.725  -8.045
  231    HB3  SER  31           HB1      SER  31   6.533  -1.775  -8.241
  232    HG   SER  31           HG       SER  31   7.412   0.422  -9.702
  233    H    PHE  32           HN       PHE  32   5.065  -1.018  -5.379
  234    HA   PHE  32           HA       PHE  32   6.603  -0.292  -3.155
  235    HB2  PHE  32           HB2      PHE  32   5.212  -2.952  -3.532
  236    HB3  PHE  32           HB1      PHE  32   5.689  -2.233  -2.002
  237    HD1  PHE  32           HD1      PHE  32   4.647   0.144  -1.557
  238    HD2  PHE  32           HD2      PHE  32   3.062  -2.766  -4.216
  239    HE1  PHE  32           HE1      PHE  32   2.420   1.159  -1.344
  240    HE2  PHE  32           HE2      PHE  32   0.839  -1.755  -4.017
  241    HZ   PHE  32           HZ       PHE  32   0.513   0.208  -2.579
  242    H    THR  33           HN       THR  33   6.677  -3.583  -4.540
  243    HA   THR  33           HA       THR  33   9.342  -3.942  -3.573
  244    HB   THR  33           HB       THR  33   8.798  -6.304  -4.587
  245    HG1  THR  33           HG1      THR  33   6.217  -6.156  -4.065
  246   HG21  THR  33          HG21      THR  33   7.663  -6.903  -2.482
  247   HG22  THR  33          HG22      THR  33   7.358  -5.193  -2.169
  248   HG23  THR  33          HG23      THR  33   9.010  -5.804  -2.191
  249    H    ASP  34           HN       ASP  34   9.389  -2.098  -5.575
  250    HA   ASP  34           HA       ASP  34  11.154  -3.324  -7.476
  251    HB2  ASP  34           HB2      ASP  34   8.921  -3.946  -8.422
  252    HB3  ASP  34           HB1      ASP  34   8.577  -2.248  -8.673
  253    H    ASP  35           HN       ASP  35   9.604  -0.460  -6.235
  254    HA   ASP  35           HA       ASP  35  11.826   1.154  -7.334
  255    HB2  ASP  35           HB2      ASP  35   8.985   1.996  -6.723
  256    HB3  ASP  35           HB1      ASP  35  10.297   3.138  -6.914
  257    H    LEU  36           HN       LEU  36   9.428   0.896  -4.801
  258    HA   LEU  36           HA       LEU  36  10.547   2.854  -3.125
  259    HB2  LEU  36           HB2      LEU  36   8.503   0.754  -2.517
  260    HB3  LEU  36           HB1      LEU  36   8.859   2.156  -1.528
  261    HG   LEU  36           HG       LEU  36   7.739   2.213  -4.324
  262   HD11  LEU  36          HD11      LEU  36   6.457   2.785  -1.666
  263   HD12  LEU  36          HD12      LEU  36   6.138   1.393  -2.705
  264   HD13  LEU  36          HD13      LEU  36   5.707   3.018  -3.244
  265   HD21  LEU  36          HD21      LEU  36   8.270   4.437  -2.366
  266   HD22  LEU  36          HD22      LEU  36   7.471   4.606  -3.940
  267   HD23  LEU  36          HD23      LEU  36   9.165   4.101  -3.848
  268    H    ASP  37           HN       ASP  37  10.461  -0.659  -2.805
  269    HA   ASP  37           HA       ASP  37  11.478  -2.116  -1.448
  270    HB2  ASP  37           HB2      ASP  37  13.584   0.048  -1.110
  271    HB3  ASP  37           HB1      ASP  37  13.680  -1.487  -0.269
  272    H    VAL  38           HN       VAL  38   9.817  -2.236  -0.183
  273    HA   VAL  38           HA       VAL  38   9.798  -0.540   2.234
  274    HB   VAL  38           HB       VAL  38   7.422  -2.130   1.203
  275   HG11  VAL  38          HG11      VAL  38   7.572   0.258   3.036
  276   HG12  VAL  38          HG12      VAL  38   7.250  -1.412   3.507
  277   HG13  VAL  38          HG13      VAL  38   6.086  -0.539   2.509
  278   HG21  VAL  38          HG21      VAL  38   6.548  -0.081   0.160
  279   HG22  VAL  38          HG22      VAL  38   8.054  -0.610  -0.592
  280   HG23  VAL  38          HG23      VAL  38   8.061   0.744   0.535
  281    H    ASP  39           HN       ASP  39  11.507  -2.713   1.923
  282    HA   ASP  39           HA       ASP  39  12.410  -4.349   3.129
  283    HB2  ASP  39           HB2      ASP  39  11.629  -3.262   5.146
  284    HB3  ASP  39           HB1      ASP  39  10.044  -4.007   4.976
  285    H    SER  40           HN       SER  40   9.165  -4.714   2.246
  286    HA   SER  40           HA       SER  40   7.986  -6.186   1.182
  287    HB2  SER  40           HB2      SER  40   8.927  -8.141   0.013
  288    HB3  SER  40           HB1      SER  40   9.852  -6.669  -0.270
  289    H    LEU  41           HN       LEU  41   9.864  -7.764   3.696
  290    HA   LEU  41           HA       LEU  41   7.565  -9.477   4.076
  291    HB2  LEU  41           HB2      LEU  41   8.825 -10.622   5.874
  292    HB3  LEU  41           HB1      LEU  41   9.648 -10.640   4.334
  293    HG   LEU  41           HG       LEU  41  11.029  -8.688   5.293
  294   HD11  LEU  41          HD11      LEU  41   9.933  -9.828   7.870
  295   HD12  LEU  41          HD12      LEU  41   9.617  -8.223   7.213
  296   HD13  LEU  41          HD13      LEU  41  11.249  -8.648   7.732
  297   HD21  LEU  41          HD21      LEU  41  11.931 -10.902   4.877
  298   HD22  LEU  41          HD22      LEU  41  11.295 -11.469   6.423
  299   HD23  LEU  41          HD23      LEU  41  12.570 -10.251   6.385
  300    H    SER  42           HN       SER  42   9.081  -6.798   5.755
  301    HA   SER  42           HA       SER  42   7.157  -6.804   7.846
  302    HB2  SER  42           HB2      SER  42   9.004  -4.563   6.986
  303    HB3  SER  42           HB1      SER  42   8.160  -4.688   8.532
  304    HG   SER  42           HG       SER  42  10.240  -6.219   7.474
  305    H    MET  43           HN       MET  43   7.085  -5.980   4.674
  306    HA   MET  43           HA       MET  43   5.695  -3.645   4.617
  307    HB2  MET  43           HB2      MET  43   5.958  -3.898   2.417
  308    HB3  MET  43           HB1      MET  43   6.555  -5.519   2.717
  309    HG2  MET  43           HG2      MET  43   3.661  -4.824   2.248
  310    HG3  MET  43           HG1      MET  43   4.773  -5.384   1.003
  311    HE1  MET  43           HE1      MET  43   1.873  -6.710   1.923
  312    HE2  MET  43           HE2      MET  43   2.351  -8.408   1.680
  313    HE3  MET  43           HE3      MET  43   2.849  -7.189   0.526
  314    H    VAL  44           HN       VAL  44   4.514  -6.818   5.432
  315    HA   VAL  44           HA       VAL  44   1.822  -6.373   4.894
  316    HB   VAL  44           HB       VAL  44   2.942  -8.261   7.013
  317   HG11  VAL  44          HG11      VAL  44   0.562  -7.866   7.356
  318   HG12  VAL  44          HG12      VAL  44   0.846  -9.509   6.778
  319   HG13  VAL  44          HG13      VAL  44   0.240  -8.278   5.671
  320   HG21  VAL  44          HG21      VAL  44   3.823  -8.722   4.789
  321   HG22  VAL  44          HG22      VAL  44   2.171  -8.799   4.157
  322   HG23  VAL  44          HG23      VAL  44   2.727 -10.000   5.322
  323    H    GLU  45           HN       GLU  45   3.883  -5.326   7.436
  324    HA   GLU  45           HA       GLU  45   1.877  -4.731   9.340
  325    HB2  GLU  45           HB2      GLU  45   4.656  -3.558   9.105
  326    HB3  GLU  45           HB1      GLU  45   3.624  -3.498  10.528
  327    HG2  GLU  45           HG2      GLU  45   3.679  -5.984  10.582
  328    HG3  GLU  45           HG1      GLU  45   4.872  -5.929   9.287
  329    H    VAL  46           HN       VAL  46   3.399  -3.071   6.686
  330    HA   VAL  46           HA       VAL  46   2.229  -0.527   7.024
  331    HB   VAL  46           HB       VAL  46   2.768  -1.961   4.387
  332   HG11  VAL  46          HG11      VAL  46   1.330  -0.026   4.079
  333   HG12  VAL  46          HG12      VAL  46   2.918   0.292   3.398
  334   HG13  VAL  46          HG13      VAL  46   2.472   0.992   4.947
  335   HG21  VAL  46          HG21      VAL  46   4.802  -1.867   5.712
  336   HG22  VAL  46          HG22      VAL  46   4.587  -0.131   5.948
  337   HG23  VAL  46          HG23      VAL  46   4.916  -0.770   4.336
  338    H    VAL  47           HN       VAL  47   1.309  -3.359   5.139
  339    HA   VAL  47           HA       VAL  47  -1.120  -2.648   4.079
  340    HB   VAL  47           HB       VAL  47  -0.458  -5.394   5.170
  341   HG11  VAL  47          HG11      VAL  47  -2.364  -4.547   2.987
  342   HG12  VAL  47          HG12      VAL  47  -2.806  -5.153   4.581
  343   HG13  VAL  47          HG13      VAL  47  -1.987  -6.212   3.432
  344   HG21  VAL  47          HG21      VAL  47   0.370  -5.886   2.921
  345   HG22  VAL  47          HG22      VAL  47   1.306  -4.610   3.705
  346   HG23  VAL  47          HG23      VAL  47   0.119  -4.201   2.466
  347    H    VAL  48           HN       VAL  48  -0.676  -4.313   7.219
  348    HA   VAL  48           HA       VAL  48  -3.372  -4.495   7.892
  349    HB   VAL  48           HB       VAL  48  -1.332  -5.555   8.923
  350   HG11  VAL  48          HG11      VAL  48  -0.062  -3.765   9.611
  351   HG12  VAL  48          HG12      VAL  48  -0.528  -4.677  11.062
  352   HG13  VAL  48          HG13      VAL  48  -1.359  -3.166  10.644
  353   HG21  VAL  48          HG21      VAL  48  -2.485  -6.035  11.066
  354   HG22  VAL  48          HG22      VAL  48  -3.538  -6.147   9.652
  355   HG23  VAL  48          HG23      VAL  48  -3.613  -4.730  10.698
  356    H    ALA  49           HN       ALA  49  -1.185  -1.990   8.491
  357    HA   ALA  49           HA       ALA  49  -3.079  -0.381  10.004
  358    HB1  ALA  49           HB1      ALA  49  -0.693  -0.221  10.531
  359    HB2  ALA  49           HB2      ALA  49  -1.397   1.344  10.110
  360    HB3  ALA  49           HB3      ALA  49  -0.395   0.486   8.935
  361    H    ALA  50           HN       ALA  50  -1.920  -0.526   6.736
  362    HA   ALA  50           HA       ALA  50  -3.164   1.822   5.790
  363    HB1  ALA  50           HB1      ALA  50  -2.920   0.816   3.563
  364    HB2  ALA  50           HB2      ALA  50  -2.525  -0.735   4.302
  365    HB3  ALA  50           HB3      ALA  50  -1.435   0.638   4.499
  366    H    GLU  51           HN       GLU  51  -4.209  -1.490   6.261
  367    HA   GLU  51           HA       GLU  51  -6.712  -1.384   5.095
  368    HB2  GLU  51           HB2      GLU  51  -5.899  -2.847   7.609
  369    HB3  GLU  51           HB1      GLU  51  -7.411  -3.103   6.758
  370    HG2  GLU  51           HG2      GLU  51  -6.167  -3.866   4.807
  371    HG3  GLU  51           HG1      GLU  51  -4.657  -3.627   5.686
  372    H    GLU  52           HN       GLU  52  -5.622  -0.454   8.272
  373    HA   GLU  52           HA       GLU  52  -8.093   0.358   9.318
  374    HB2  GLU  52           HB2      GLU  52  -6.142  -0.156  10.684
  375    HB3  GLU  52           HB1      GLU  52  -5.284   1.214  10.006
  376    HG2  GLU  52           HG2      GLU  52  -6.871   2.735  11.054
  377    HG3  GLU  52           HG1      GLU  52  -7.755   1.359  11.720
  378    H    ARG  53           HN       ARG  53  -5.423   2.123   7.856
  379    HA   ARG  53           HA       ARG  53  -6.326   4.735   8.048
  380    HB2  ARG  53           HB2      ARG  53  -4.041   4.075   7.447
  381    HB3  ARG  53           HB1      ARG  53  -4.611   3.548   5.873
  382    HG2  ARG  53           HG2      ARG  53  -3.514   5.731   5.768
  383    HG3  ARG  53           HG1      ARG  53  -5.218   5.839   5.309
  384    HD2  ARG  53           HD2      ARG  53  -5.810   6.784   7.392
  385    HD3  ARG  53           HD1      ARG  53  -4.247   6.386   8.097
  386    HE   ARG  53           HE       ARG  53  -4.002   8.135   5.868
  387   HH11  ARG  53          HH11      ARG  53  -5.143   8.168   9.190
  388   HH12  ARG  53          HH12      ARG  53  -4.368   9.602   9.655
  389   HH21  ARG  53          HH21      ARG  53  -2.914  10.159   6.431
  390   HH22  ARG  53          HH22      ARG  53  -3.088  10.788   8.003
  391    H    PHE  54           HN       PHE  54  -6.807   2.488   5.326
  392    HA   PHE  54           HA       PHE  54  -8.372   4.535   3.920
  393    HB2  PHE  54           HB2      PHE  54  -7.868   1.703   3.016
  394    HB3  PHE  54           HB1      PHE  54  -8.369   3.073   2.042
  395    HD1  PHE  54           HD1      PHE  54  -6.564   5.142   2.752
  396    HD2  PHE  54           HD2      PHE  54  -5.830   0.992   2.267
  397    HE1  PHE  54           HE1      PHE  54  -4.207   5.625   2.152
  398    HE2  PHE  54           HE2      PHE  54  -3.498   1.444   1.685
  399    HZ   PHE  54           HZ       PHE  54  -2.636   3.709   1.739
  400    H    ASP  55           HN       ASP  55  -8.925   2.256   6.207
  401    HA   ASP  55           HA       ASP  55 -10.449   0.765   6.775
  402    HB2  ASP  55           HB2      ASP  55 -11.810   2.816   7.187
  403    HB3  ASP  55           HB1      ASP  55 -12.438   2.713   5.545
  404    H    VAL  56           HN       VAL  56  -9.435  -0.528   5.344
  405    HA   VAL  56           HA       VAL  56 -11.214  -1.614   3.330
  406    HB   VAL  56           HB       VAL  56  -9.460  -0.082   2.232
  407   HG11  VAL  56          HG11      VAL  56  -7.538  -2.224   3.055
  408   HG12  VAL  56          HG12      VAL  56  -7.528  -0.532   3.570
  409   HG13  VAL  56          HG13      VAL  56  -7.205  -0.959   1.884
  410   HG21  VAL  56          HG21      VAL  56  -8.929  -1.617   0.382
  411   HG22  VAL  56          HG22      VAL  56 -10.613  -1.739   0.894
  412   HG23  VAL  56          HG23      VAL  56  -9.450  -2.974   1.380
  413    H    LYS  57           HN       LYS  57  -9.827  -3.767   2.581
  414    HA   LYS  57           HA       LYS  57  -8.687  -5.060   4.925
  415    HB2  LYS  57           HB2      LYS  57 -10.979  -6.297   3.365
  416    HB3  LYS  57           HB1      LYS  57 -10.088  -7.051   4.653
  417    HG2  LYS  57           HG2      LYS  57 -12.200  -6.493   5.559
  418    HG3  LYS  57           HG1      LYS  57 -11.083  -5.298   6.207
  419    HD2  LYS  57           HD2      LYS  57 -13.200  -4.263   5.540
  420    HD3  LYS  57           HD1      LYS  57 -11.871  -3.670   4.549
  421    HE2  LYS  57           HE2      LYS  57 -13.813  -4.083   3.173
  422    HE3  LYS  57           HE1      LYS  57 -12.551  -5.226   2.749
  423    HZ1  LYS  57           HZ1      LYS  57 -14.907  -5.776   4.476
  424    HZ2  LYS  57           HZ2      LYS  57 -13.738  -6.918   4.098
  425    HZ3  LYS  57           HZ3      LYS  57 -14.717  -6.264   2.875
  426    H    ILE  58           HN       ILE  58  -6.906  -6.011   4.145
  427    HA   ILE  58           HA       ILE  58  -7.095  -7.341   1.580
  428    HB   ILE  58           HB       ILE  58  -4.535  -5.814   1.848
  429   HG12  ILE  58          HG12      ILE  58  -7.016  -4.470   0.730
  430   HG13  ILE  58          HG11      ILE  58  -6.322  -4.049   2.298
  431   HG21  ILE  58          HG21      ILE  58  -5.021  -7.411   0.025
  432   HG22  ILE  58          HG22      ILE  58  -4.797  -5.770  -0.604
  433   HG23  ILE  58          HG23      ILE  58  -6.420  -6.428  -0.430
  434   HD11  ILE  58          HD11      ILE  58  -5.663  -2.461   0.587
  435   HD12  ILE  58          HD12      ILE  58  -4.996  -3.769  -0.393
  436   HD13  ILE  58          HD13      ILE  58  -4.260  -3.365   1.156
  437    HA   PRO  59           HA       PRO  59  -4.913 -10.094   4.467
  438    HB2  PRO  59           HB2      PRO  59  -5.516 -12.024   2.296
  439    HB3  PRO  59           HB1      PRO  59  -5.930 -12.082   4.018
  440    HG2  PRO  59           HG2      PRO  59  -7.789 -11.623   2.136
  441    HG3  PRO  59           HG1      PRO  59  -7.865 -10.901   3.754
  442    HD2  PRO  59           HD2      PRO  59  -7.024  -9.682   1.166
  443    HD3  PRO  59           HD1      PRO  59  -7.963  -8.976   2.497
  444    H    ASP  60           HN       ASP  60  -2.916 -11.512   4.088
  445    HA   ASP  60           HA       ASP  60  -1.119  -9.989   2.524
  446    HB2  ASP  60           HB2      ASP  60   0.688 -11.320   3.220
  447    HB3  ASP  60           HB1      ASP  60  -0.421 -11.363   4.580
  448    H    ASP  61           HN       ASP  61  -2.645 -13.086   1.817
  449    HA   ASP  61           HA       ASP  61  -1.195 -13.439  -0.626
  450    HB2  ASP  61           HB2      ASP  61  -3.786 -14.655   0.287
  451    HB3  ASP  61           HB1      ASP  61  -3.164 -14.925  -1.332
  452    H    ASP  62           HN       ASP  62  -3.669 -11.403   0.216
  453    HA   ASP  62           HA       ASP  62  -4.657 -11.104  -2.482
  454    HB2  ASP  62           HB2      ASP  62  -5.724 -10.706   0.052
  455    HB3  ASP  62           HB1      ASP  62  -5.475  -9.085  -0.597
  456    H    VAL  63           HN       VAL  63  -2.810  -9.267  -0.077
  457    HA   VAL  63           HA       VAL  63  -2.548  -7.022  -1.771
  458    HB   VAL  63           HB       VAL  63  -2.508  -6.702   0.635
  459   HG11  VAL  63          HG11      VAL  63  -0.606  -7.361   2.013
  460   HG12  VAL  63          HG12      VAL  63   0.081  -8.220   0.637
  461   HG13  VAL  63          HG13      VAL  63  -1.450  -8.753   1.333
  462   HG21  VAL  63          HG21      VAL  63  -0.548  -5.242   0.847
  463   HG22  VAL  63          HG22      VAL  63  -1.356  -5.039  -0.715
  464   HG23  VAL  63          HG23      VAL  63   0.133  -5.985  -0.600
  465    H    LYS  64           HN       LYS  64  -0.624  -9.907  -1.395
  466    HA   LYS  64           HA       LYS  64   1.765  -8.881  -2.461
  467    HB2  LYS  64           HB2      LYS  64   2.461 -11.218  -2.840
  468    HB3  LYS  64           HB1      LYS  64   1.790 -10.968  -1.239
  469    HG2  LYS  64           HG2      LYS  64  -0.364 -11.914  -2.086
  470    HG3  LYS  64           HG1      LYS  64   0.474 -12.308  -3.585
  471    HD2  LYS  64           HD2      LYS  64   0.344 -14.242  -2.053
  472    HD3  LYS  64           HD1      LYS  64   2.017 -13.763  -2.365
  473    HE2  LYS  64           HE2      LYS  64   2.252 -12.796  -0.252
  474    HE3  LYS  64           HE1      LYS  64   0.528 -12.716   0.033
  475    HZ1  LYS  64           HZ1      LYS  64   2.240 -15.166   0.080
  476    HZ2  LYS  64           HZ2      LYS  64   0.554 -15.179   0.111
  477    HZ3  LYS  64           HZ3      LYS  64   1.385 -14.422   1.355
  478    H    ASN  65           HN       ASN  65  -1.080  -9.084  -4.027
  479    HA   ASN  65           HA       ASN  65  -0.049  -9.777  -6.672
  480    HB2  ASN  65           HB2      ASN  65  -2.811  -8.774  -5.888
  481    HB3  ASN  65           HB1      ASN  65  -2.342  -9.315  -7.489
  482   HD21  ASN  65          HD21      ASN  65  -3.401 -10.216  -4.385
  483   HD22  ASN  65          HD22      ASN  65  -3.532 -11.909  -4.647
  484    H    LEU  66           HN       LEU  66   0.073  -7.125  -4.709
  485    HA   LEU  66           HA       LEU  66  -0.479  -5.150  -6.763
  486    HB2  LEU  66           HB2      LEU  66   0.394  -4.779  -3.905
  487    HB3  LEU  66           HB1      LEU  66  -0.136  -3.509  -4.985
  488    HG   LEU  66           HG       LEU  66  -1.811  -5.740  -3.835
  489   HD11  LEU  66          HD11      LEU  66  -3.022  -3.937  -2.729
  490   HD12  LEU  66          HD12      LEU  66  -1.883  -2.769  -3.398
  491   HD13  LEU  66          HD13      LEU  66  -1.326  -3.989  -2.253
  492   HD21  LEU  66          HD21      LEU  66  -2.638  -3.547  -5.736
  493   HD22  LEU  66          HD22      LEU  66  -3.715  -4.709  -4.948
  494   HD23  LEU  66          HD23      LEU  66  -2.517  -5.267  -6.115
  495    H    LYS  67           HN       LYS  67   1.038  -4.083  -7.865
  496    HA   LYS  67           HA       LYS  67   3.836  -4.579  -7.232
  497    HB2  LYS  67           HB2      LYS  67   3.206  -5.126  -9.502
  498    HB3  LYS  67           HB1      LYS  67   2.448  -3.549  -9.705
  499    HG2  LYS  67           HG2      LYS  67   4.758  -2.616  -9.164
  500    HG3  LYS  67           HG1      LYS  67   5.352  -4.235  -9.576
  501    HD2  LYS  67           HD2      LYS  67   4.229  -4.026 -11.768
  502    HD3  LYS  67           HD1      LYS  67   3.679  -2.413 -11.237
  503    HE2  LYS  67           HE2      LYS  67   5.624  -2.209 -12.677
  504    HE3  LYS  67           HE1      LYS  67   5.938  -1.660 -11.032
  505    HZ1  LYS  67           HZ1      LYS  67   6.858  -4.223 -12.255
  506    HZ2  LYS  67           HZ2      LYS  67   7.025  -3.886 -10.643
  507    HZ3  LYS  67           HZ3      LYS  67   7.812  -2.914 -11.784
  508    H    THR  68           HN       THR  68   1.797  -1.973  -8.536
  509    HA   THR  68           HA       THR  68   3.540  -0.002  -7.226
  510    HB   THR  68           HB       THR  68   2.519   1.640  -8.769
  511    HG1  THR  68           HG1      THR  68   1.155  -0.642  -9.844
  512   HG21  THR  68          HG21      THR  68   4.558   0.503  -9.519
  513   HG22  THR  68          HG22      THR  68   3.493   0.847 -10.884
  514   HG23  THR  68          HG23      THR  68   3.584  -0.786 -10.228
  515    H    VAL  69           HN       VAL  69   2.175   2.073  -6.681
  516    HA   VAL  69           HA       VAL  69  -0.074   1.161  -5.207
  517    HB   VAL  69           HB       VAL  69  -0.478   3.365  -4.369
  518   HG11  VAL  69          HG11      VAL  69   1.625   3.928  -3.320
  519   HG12  VAL  69          HG12      VAL  69   2.447   2.796  -4.408
  520   HG13  VAL  69          HG13      VAL  69   1.223   2.216  -3.267
  521   HG21  VAL  69          HG21      VAL  69   1.572   4.350  -6.307
  522   HG22  VAL  69          HG22      VAL  69   0.790   5.308  -5.045
  523   HG23  VAL  69          HG23      VAL  69  -0.165   4.632  -6.364
  524    H    GLY  70           HN       GLY  70   0.436   1.953  -8.397
  525    HA2  GLY  70           HA2      GLY  70  -2.086   3.140  -8.954
  526    HA3  GLY  70           HA1      GLY  70  -1.030   2.318 -10.112
  527    H    ASP  71           HN       ASP  71  -0.701  -0.074  -8.883
  528    HA   ASP  71           HA       ASP  71  -2.975  -1.633  -9.453
  529    HB2  ASP  71           HB2      ASP  71  -0.672  -2.222  -7.573
  530    HB3  ASP  71           HB1      ASP  71  -1.837  -3.414  -8.100
  531    H    ALA  72           HN       ALA  72  -1.533  -0.570  -6.425
  532    HA   ALA  72           HA       ALA  72  -3.331  -1.667  -4.643
  533    HB1  ALA  72           HB1      ALA  72  -2.473  -0.152  -2.985
  534    HB2  ALA  72           HB2      ALA  72  -1.825   0.902  -4.235
  535    HB3  ALA  72           HB3      ALA  72  -1.153  -0.719  -4.011
  536    H    THR  73           HN       THR  73  -3.410   1.638  -5.970
  537    HA   THR  73           HA       THR  73  -5.500   2.664  -4.552
  538    HB   THR  73           HB       THR  73  -4.817   3.213  -7.457
  539    HG1  THR  73           HG1      THR  73  -3.086   3.652  -6.122
  540   HG21  THR  73          HG21      THR  73  -5.907   5.407  -7.088
  541   HG22  THR  73          HG22      THR  73  -6.379   4.892  -5.474
  542   HG23  THR  73          HG23      THR  73  -7.050   4.080  -6.886
  543    H    LYS  74           HN       LYS  74  -5.761   1.108  -7.755
  544    HA   LYS  74           HA       LYS  74  -8.571   1.318  -7.974
  545    HB2  LYS  74           HB2      LYS  74  -6.872  -0.808  -9.269
  546    HB3  LYS  74           HB1      LYS  74  -8.392  -0.150  -9.845
  547    HG2  LYS  74           HG2      LYS  74  -5.717   1.224  -9.772
  548    HG3  LYS  74           HG1      LYS  74  -6.619   0.706 -11.194
  549    HD2  LYS  74           HD2      LYS  74  -8.414   2.316 -10.560
  550    HD3  LYS  74           HD1      LYS  74  -7.357   2.865  -9.245
  551    HE2  LYS  74           HE2      LYS  74  -7.165   4.354 -11.162
  552    HE3  LYS  74           HE1      LYS  74  -5.651   3.502 -10.882
  553    HZ1  LYS  74           HZ1      LYS  74  -6.175   2.003 -12.708
  554    HZ2  LYS  74           HZ2      LYS  74  -6.273   3.596 -13.246
  555    HZ3  LYS  74           HZ3      LYS  74  -7.682   2.726 -12.912
  556    H    TYR  75           HN       TYR  75  -6.459  -1.045  -6.649
  557    HA   TYR  75           HA       TYR  75  -8.252  -3.234  -6.421
  558    HB2  TYR  75           HB2      TYR  75  -5.721  -3.216  -6.536
  559    HB3  TYR  75           HB1      TYR  75  -5.740  -2.689  -4.864
  560    HD1  TYR  75           HD1      TYR  75  -6.356  -5.413  -7.171
  561    HD2  TYR  75           HD2      TYR  75  -6.300  -4.245  -3.091
  562    HE1  TYR  75           HE1      TYR  75  -6.362  -7.763  -6.520
  563    HE2  TYR  75           HE2      TYR  75  -6.318  -6.565  -2.398
  564    HH   TYR  75           HH       TYR  75  -6.873  -8.773  -3.299
  565    H    ILE  76           HN       ILE  76  -6.881  -0.897  -4.131
  566    HA   ILE  76           HA       ILE  76  -8.295  -1.723  -1.850
  567    HB   ILE  76           HB       ILE  76  -7.017   0.936  -2.559
  568   HG12  ILE  76          HG12      ILE  76  -6.091  -1.305  -0.752
  569   HG13  ILE  76          HG11      ILE  76  -5.527  -1.024  -2.394
  570   HG21  ILE  76          HG21      ILE  76  -7.132   1.508  -0.176
  571   HG22  ILE  76          HG22      ILE  76  -8.055   0.038   0.134
  572   HG23  ILE  76          HG23      ILE  76  -8.742   1.312  -0.875
  573   HD11  ILE  76          HD11      ILE  76  -4.603   1.122  -1.703
  574   HD12  ILE  76          HD12      ILE  76  -3.939  -0.212  -0.757
  575   HD13  ILE  76          HD13      ILE  76  -5.173   0.837  -0.059
  576    H    LEU  77           HN       LEU  77  -8.961   0.757  -4.291
  577    HA   LEU  77           HA       LEU  77 -11.238   1.797  -3.179
  578    HB2  LEU  77           HB2      LEU  77 -10.421   1.503  -6.046
  579    HB3  LEU  77           HB1      LEU  77 -11.929   2.277  -5.611
  580    HG   LEU  77           HG       LEU  77  -9.231   3.217  -4.634
  581   HD11  LEU  77          HD11      LEU  77  -9.452   4.989  -6.296
  582   HD12  LEU  77          HD12      LEU  77 -10.929   4.243  -6.906
  583   HD13  LEU  77          HD13      LEU  77  -9.383   3.406  -7.069
  584   HD21  LEU  77          HD21      LEU  77 -10.465   5.244  -4.078
  585   HD22  LEU  77          HD22      LEU  77 -11.124   3.842  -3.234
  586   HD23  LEU  77          HD23      LEU  77 -11.959   4.496  -4.644
  587    H    ASP  78           HN       ASP  78 -10.881  -1.093  -5.134
  588    HA   ASP  78           HA       ASP  78 -13.713  -1.604  -5.257
  589    HB2  ASP  78           HB2      ASP  78 -12.425  -2.429  -7.089
  590    HB3  ASP  78           HB1      ASP  78 -11.319  -3.278  -6.014
  591    H    HIS  79           HN       HIS  79 -11.011  -2.826  -3.384
  592    HA   HIS  79           HA       HIS  79 -12.619  -4.789  -2.027
  593    HB2  HIS  79           HB2      HIS  79  -9.727  -4.038  -1.783
  594    HB3  HIS  79           HB1      HIS  79 -10.486  -5.145  -0.640
  595    HD1  HIS  79           HD1      HIS  79 -10.239  -7.575  -1.310
  596    HD2  HIS  79           HD2      HIS  79 -10.247  -5.038  -4.622
  597    HE1  HIS  79           HE1      HIS  79  -9.941  -9.040  -3.281
  598    HE2  HIS  79           HE2      HIS  79  -9.946  -7.540  -5.278
  599    H    GLN  80           HN       GLN  80 -12.681  -1.637  -1.657
  600    HA   GLN  80           HA       GLN  80 -13.178  -1.826   1.233
  601    HB2  GLN  80           HB2      GLN  80 -12.793   0.542   1.425
  602    HB3  GLN  80           HB1      GLN  80 -11.474  -0.092   0.455
  603    HG2  GLN  80           HG2      GLN  80 -12.627   0.682  -1.584
  604    HG3  GLN  80           HG1      GLN  80 -13.906   1.355  -0.586
  605   HE21  GLN  80          HE21      GLN  80 -10.493   1.495   0.184
  606   HE22  GLN  80          HE22      GLN  80 -10.327   3.200  -0.050
  607    H    ALA  81           HN       ALA  81 -15.228  -1.198   1.937
  608    HA   ALA  81           HA       ALA  81 -17.131  -0.635  -0.211
  609    HB1  ALA  81           HB1      ALA  81 -17.636  -1.921   2.478
  610    HB2  ALA  81           HB2      ALA  81 -17.567  -2.765   0.932
  611    HB3  ALA  81           HB3      ALA  81 -18.854  -1.603   1.245
  612    H2   SOO 101           H2A      SOO 101   4.565  -4.191  -1.293
  613    H3   SOO 101           H3A      SOO 101   1.643  -4.595  -0.329
  614    H4   SOO 101           H4A      SOO 101   3.784  -2.886   0.801
  615    H4A  SOO 101           H4B      SOO 101   3.057  -2.050  -0.572
  616    H5   SOO 101           H5A      SOO 101   2.022  -1.399   1.555
  617    H5A  SOO 101           H5B      SOO 101   1.570  -3.075   1.846
  618    H6   SOO 101           H6A      SOO 101   0.179  -3.061  -0.159
  619    H6A  SOO 101           H6B      SOO 101   0.624  -1.381  -0.464
  620    H7   SOO 101           H7A      SOO 101  -0.400  -0.721   1.665
  621    H7A  SOO 101           H7B      SOO 101  -0.848  -2.412   1.966
  622    H8   SOO 101           H8C      SOO 101  -2.194  -2.395  -0.072
  623    H8A  SOO 101           H8A      SOO 101  -1.739  -0.715  -0.358
  624    H8B  SOO 101           H8B      SOO 101  -2.714  -1.135   1.049
  625    H28  SOO 101          H28A      SOO 101  10.964 -11.490   0.382
  626   H28A  SOO 101          H28B      SOO 101   9.675 -10.406   0.902
  627    H30  SOO 101          H30A      SOO 101   7.284 -11.413  -1.731
  628   H30A  SOO 101          H30B      SOO 101   8.448 -10.097  -1.880
  629   H30B  SOO 101          H30C      SOO 101   7.551 -10.318  -0.376
  630    H31  SOO 101          H31A      SOO 101  10.174 -11.712  -2.555
  631   H31A  SOO 101          H31B      SOO 101   9.043 -13.050  -2.379
  632   H31B  SOO 101          H31C      SOO 101  10.580 -13.076  -1.514
  633    H32  SOO 101          H32A      SOO 101   7.831 -13.460  -0.190
  634   HO33  SOO 101          H33A      SOO 101   9.738 -13.430   1.713
  635   HN36  SOO 101          H36A      SOO 101   6.329 -11.613   0.579
  636    H37  SOO 101          H37A      SOO 101   6.321 -11.442   3.494
  637   H37A  SOO 101          H37B      SOO 101   6.340  -9.946   2.591
  638    H38  SOO 101          H38A      SOO 101   4.182 -12.057   2.482
  639   H38A  SOO 101          H38B      SOO 101   4.122 -10.399   3.145
  640   HN41  SOO 101          H41A      SOO 101   5.550  -9.348   0.986
  641    H42  SOO 101          H42A      SOO 101   4.626  -9.661  -1.612
  642   H42A  SOO 101          H42B      SOO 101   3.423  -8.659  -0.805
  643    H43  SOO 101          H43A      SOO 101   6.358  -8.002  -1.091
  644   H43A  SOO 101          H43B      SOO 101   5.160  -7.114  -0.136
  Start of MODEL    6
    1    H1   ALA   1           HT1      ALA   1 -12.508   5.440   4.470
    2    H2   ALA   1           HT2      ALA   1 -14.189   5.218   4.315
    3    H3   ALA   1           HT3      ALA   1 -13.445   6.709   3.908
    4    HA   ALA   1           HA       ALA   1 -12.966   4.177   2.500
    5    HB1  ALA   1           HB1      ALA   1 -14.091   5.325   0.623
    6    HB2  ALA   1           HB2      ALA   1 -14.454   6.688   1.682
    7    HB3  ALA   1           HB3      ALA   1 -15.182   5.111   1.991
    8    H    ALA   2           HN       ALA   2 -12.124   5.370   0.152
    9    HA   ALA   2           HA       ALA   2 -10.227   7.422   0.862
   10    HB1  ALA   2           HB1      ALA   2  -9.337   4.731  -0.165
   11    HB2  ALA   2           HB2      ALA   2  -9.043   5.369   1.454
   12    HB3  ALA   2           HB3      ALA   2  -8.308   6.146   0.051
   13    H    THR   3           HN       THR   3  -9.132   8.209  -1.074
   14    HA   THR   3           HA       THR   3 -10.435   7.486  -3.577
   15    HB   THR   3           HB       THR   3  -9.975   9.841  -4.294
   16    HG1  THR   3           HG1      THR   3  -9.043  11.222  -3.042
   17   HG21  THR   3          HG21      THR   3 -11.720  10.958  -2.963
   18   HG22  THR   3          HG22      THR   3 -11.626   9.668  -1.762
   19   HG23  THR   3          HG23      THR   3 -12.203   9.315  -3.390
   20    H    GLN   4           HN       GLN   4  -8.564   8.729  -5.303
   21    HA   GLN   4           HA       GLN   4  -6.381   6.985  -5.055
   22    HB2  GLN   4           HB2      GLN   4  -7.177   7.668  -7.235
   23    HB3  GLN   4           HB1      GLN   4  -6.920   9.354  -6.857
   24    HG2  GLN   4           HG2      GLN   4  -4.569   7.567  -6.807
   25    HG3  GLN   4           HG1      GLN   4  -5.258   7.942  -8.397
   26   HE21  GLN   4          HE21      GLN   4  -3.462   9.069  -5.692
   27   HE22  GLN   4          HE22      GLN   4  -3.031  10.612  -6.305
   28    H    GLU   5           HN       GLU   5  -6.795  10.415  -4.533
   29    HA   GLU   5           HA       GLU   5  -4.166  11.099  -3.830
   30    HB2  GLU   5           HB2      GLU   5  -6.502  12.389  -2.440
   31    HB3  GLU   5           HB1      GLU   5  -5.003  13.119  -2.969
   32    HG2  GLU   5           HG2      GLU   5  -6.649  14.016  -4.358
   33    HG3  GLU   5           HG1      GLU   5  -5.879  12.774  -5.346
   34    H    GLU   6           HN       GLU   6  -6.914  10.088  -1.899
   35    HA   GLU   6           HA       GLU   6  -5.819  10.375   0.660
   36    HB2  GLU   6           HB2      GLU   6  -8.225  10.082  -0.063
   37    HB3  GLU   6           HB1      GLU   6  -7.850   8.376  -0.197
   38    HG2  GLU   6           HG2      GLU   6  -8.961   8.860   1.915
   39    HG3  GLU   6           HG1      GLU   6  -7.333   8.225   2.145
   40    H    ILE   7           HN       ILE   7  -5.913   7.617  -1.584
   41    HA   ILE   7           HA       ILE   7  -4.666   5.871   0.249
   42    HB   ILE   7           HB       ILE   7  -4.915   5.684  -2.773
   43   HG12  ILE   7          HG12      ILE   7  -6.320   4.274  -0.491
   44   HG13  ILE   7          HG11      ILE   7  -6.994   5.560  -1.474
   45   HG21  ILE   7          HG21      ILE   7  -3.902   3.579  -0.826
   46   HG22  ILE   7          HG22      ILE   7  -2.899   4.444  -1.971
   47   HG23  ILE   7          HG23      ILE   7  -4.149   3.344  -2.557
   48   HD11  ILE   7          HD11      ILE   7  -6.224   2.821  -2.431
   49   HD12  ILE   7          HD12      ILE   7  -6.901   4.111  -3.427
   50   HD13  ILE   7          HD13      ILE   7  -7.859   3.407  -2.123
   51    H    VAL   8           HN       VAL   8  -3.391   7.491  -2.638
   52    HA   VAL   8           HA       VAL   8  -0.747   6.720  -2.382
   53    HB   VAL   8           HB       VAL   8  -1.948   9.263  -3.526
   54   HG11  VAL   8          HG11      VAL   8   0.402   9.716  -2.986
   55   HG12  VAL   8          HG12      VAL   8   0.143   9.625  -4.730
   56   HG13  VAL   8          HG13      VAL   8   0.885   8.269  -3.874
   57   HG21  VAL   8          HG21      VAL   8  -1.518   8.133  -5.663
   58   HG22  VAL   8          HG22      VAL   8  -2.601   7.213  -4.614
   59   HG23  VAL   8          HG23      VAL   8  -0.913   6.739  -4.772
   60    H    ALA   9           HN       ALA   9  -2.128   9.752  -1.155
   61    HA   ALA   9           HA       ALA   9   0.284  10.542   0.152
   62    HB1  ALA   9           HB1      ALA   9  -1.041  12.399   0.998
   63    HB2  ALA   9           HB2      ALA   9  -2.513  11.589   0.453
   64    HB3  ALA   9           HB3      ALA   9  -1.329  12.141  -0.726
   65    H    GLY  10           HN       GLY  10  -2.329   8.499   1.087
   66    HA2  GLY  10           HA2      GLY  10  -2.013   9.017   3.936
   67    HA3  GLY  10           HA1      GLY  10  -3.175   7.920   3.188
   68    H    LEU  11           HN       LEU  11  -1.686   6.476   1.607
   69    HA   LEU  11           HA       LEU  11  -0.751   4.362   3.038
   70    HB2  LEU  11           HB2      LEU  11  -1.451   4.414   0.625
   71    HB3  LEU  11           HB1      LEU  11  -0.003   5.313   0.300
   72    HG   LEU  11           HG       LEU  11   1.365   3.598   0.763
   73   HD11  LEU  11          HD11      LEU  11  -1.094   1.965   1.536
   74   HD12  LEU  11          HD12      LEU  11   0.186   2.496   2.630
   75   HD13  LEU  11          HD13      LEU  11   0.530   1.287   1.396
   76   HD21  LEU  11          HD21      LEU  11  -0.917   2.655  -0.952
   77   HD22  LEU  11          HD22      LEU  11   0.699   1.944  -0.971
   78   HD23  LEU  11          HD23      LEU  11   0.470   3.625  -1.451
   79    H    ALA  12           HN       ALA  12   0.985   7.043   1.581
   80    HA   ALA  12           HA       ALA  12   3.578   6.137   2.010
   81    HB1  ALA  12           HB1      ALA  12   4.269   8.379   1.568
   82    HB2  ALA  12           HB2      ALA  12   2.620   8.965   1.811
   83    HB3  ALA  12           HB3      ALA  12   2.991   7.889   0.456
   84    H    GLU  13           HN       GLU  13   1.376   7.748   4.212
   85    HA   GLU  13           HA       GLU  13   3.405   8.513   6.056
   86    HB2  GLU  13           HB2      GLU  13   0.465   8.021   6.594
   87    HB3  GLU  13           HB1      GLU  13   1.583   8.867   7.658
   88    HG2  GLU  13           HG2      GLU  13   1.903  10.565   5.876
   89    HG3  GLU  13           HG1      GLU  13   0.660   9.744   4.935
   90    H    ILE  14           HN       ILE  14   1.218   5.775   5.784
   91    HA   ILE  14           HA       ILE  14   2.225   4.445   8.068
   92    HB   ILE  14           HB       ILE  14   0.706   3.240   5.703
   93   HG12  ILE  14          HG12      ILE  14  -1.163   3.022   7.418
   94   HG13  ILE  14          HG11      ILE  14  -0.213   4.037   8.483
   95   HG21  ILE  14          HG21      ILE  14   0.341   1.281   7.127
   96   HG22  ILE  14          HG22      ILE  14   1.390   1.996   8.351
   97   HG23  ILE  14          HG23      ILE  14   2.051   1.546   6.778
   98   HD11  ILE  14          HD11      ILE  14  -1.972   5.287   7.390
   99   HD12  ILE  14          HD12      ILE  14  -1.341   4.825   5.810
  100   HD13  ILE  14          HD13      ILE  14  -0.388   5.863   6.873
  101    H    VAL  15           HN       VAL  15   3.000   4.297   4.647
  102    HA   VAL  15           HA       VAL  15   4.935   2.277   4.742
  103    HB   VAL  15           HB       VAL  15   4.670   4.643   2.851
  104   HG11  VAL  15          HG11      VAL  15   6.509   2.261   2.587
  105   HG12  VAL  15          HG12      VAL  15   6.991   3.937   2.863
  106   HG13  VAL  15          HG13      VAL  15   6.214   3.485   1.347
  107   HG21  VAL  15          HG21      VAL  15   3.850   2.962   1.278
  108   HG22  VAL  15          HG22      VAL  15   2.867   3.014   2.743
  109   HG23  VAL  15          HG23      VAL  15   4.037   1.717   2.513
  110    H    ASN  16           HN       ASN  16   5.068   5.571   5.723
  111    HA   ASN  16           HA       ASN  16   7.927   5.768   5.753
  112    HB2  ASN  16           HB2      ASN  16   6.300   7.678   5.470
  113    HB3  ASN  16           HB1      ASN  16   5.970   7.528   7.193
  114   HD21  ASN  16          HD21      ASN  16   8.209   8.406   4.805
  115   HD22  ASN  16          HD22      ASN  16   9.319   9.261   5.813
  116    H    GLU  17           HN       GLU  17   5.361   5.304   8.139
  117    HA   GLU  17           HA       GLU  17   7.174   5.268  10.316
  118    HB2  GLU  17           HB2      GLU  17   5.236   4.380  11.628
  119    HB3  GLU  17           HB1      GLU  17   4.920   5.909  10.807
  120    HG2  GLU  17           HG2      GLU  17   3.797   4.646   9.044
  121    HG3  GLU  17           HG1      GLU  17   4.046   3.164   9.957
  122    H    ILE  18           HN       ILE  18   5.702   2.699   8.386
  123    HA   ILE  18           HA       ILE  18   6.765   0.590  10.039
  124    HB   ILE  18           HB       ILE  18   5.799   0.423   7.187
  125   HG12  ILE  18          HG12      ILE  18   4.069   1.405   8.618
  126   HG13  ILE  18          HG11      ILE  18   3.621  -0.202   8.070
  127   HG21  ILE  18          HG21      ILE  18   7.069  -1.522   7.875
  128   HG22  ILE  18          HG22      ILE  18   5.363  -1.939   7.719
  129   HG23  ILE  18          HG23      ILE  18   6.069  -1.699   9.316
  130   HD11  ILE  18          HD11      ILE  18   4.602   0.552  10.814
  131   HD12  ILE  18          HD12      ILE  18   4.247  -1.090  10.257
  132   HD13  ILE  18          HD13      ILE  18   2.955   0.110  10.324
  133    H    ALA  19           HN       ALA  19   7.560   1.823   6.765
  134    HA   ALA  19           HA       ALA  19  10.019   0.237   6.874
  135    HB1  ALA  19           HB1      ALA  19   8.712   1.550   4.496
  136    HB2  ALA  19           HB2      ALA  19   8.560  -0.148   4.947
  137    HB3  ALA  19           HB3      ALA  19  10.127   0.498   4.462
  138    H    GLY  20           HN       GLY  20   8.966   3.414   5.754
  139    HA2  GLY  20           HA2      GLY  20  10.206   5.341   6.725
  140    HA3  GLY  20           HA1      GLY  20  11.669   4.394   6.487
  141    H    ILE  21           HN       ILE  21   8.974   4.748   4.258
  142    HA   ILE  21           HA       ILE  21  10.811   5.993   2.354
  143    HB   ILE  21           HB       ILE  21   8.159   4.558   1.912
  144   HG12  ILE  21          HG12      ILE  21   9.908   2.981   2.450
  145   HG13  ILE  21          HG11      ILE  21   9.514   2.845   0.741
  146   HG21  ILE  21          HG21      ILE  21  10.003   5.723  -0.169
  147   HG22  ILE  21          HG22      ILE  21   8.398   6.310   0.256
  148   HG23  ILE  21          HG23      ILE  21   8.586   4.724  -0.494
  149   HD11  ILE  21          HD11      ILE  21  11.905   4.270   1.898
  150   HD12  ILE  21          HD12      ILE  21  11.509   4.147   0.184
  151   HD13  ILE  21          HD13      ILE  21  11.911   2.696   1.098
  152    HA   PRO  22           HA       PRO  22   9.146   9.980   3.189
  153    HB2  PRO  22           HB2      PRO  22   8.988  10.134   0.213
  154    HB3  PRO  22           HB1      PRO  22   9.605  11.320   1.373
  155    HG2  PRO  22           HG2      PRO  22  11.265   9.760   0.005
  156    HG3  PRO  22           HG1      PRO  22  11.580  10.183   1.695
  157    HD2  PRO  22           HD2      PRO  22  10.713   7.608   0.522
  158    HD3  PRO  22           HD1      PRO  22  11.610   7.925   2.020
  159    H    VAL  23           HN       VAL  23   7.320  10.939   3.470
  160    HA   VAL  23           HA       VAL  23   4.883   9.496   3.114
  161    HB   VAL  23           HB       VAL  23   3.831  11.355   4.355
  162   HG11  VAL  23          HG11      VAL  23   4.888   9.545   5.568
  163   HG12  VAL  23          HG12      VAL  23   5.083  11.075   6.423
  164   HG13  VAL  23          HG13      VAL  23   6.430  10.394   5.512
  165   HG21  VAL  23          HG21      VAL  23   5.255  13.195   5.176
  166   HG22  VAL  23          HG22      VAL  23   5.108  13.177   3.410
  167   HG23  VAL  23          HG23      VAL  23   6.573  12.568   4.168
  168    H    GLU  24           HN       GLU  24   6.184  10.796   0.732
  169    HA   GLU  24           HA       GLU  24   3.711  11.573  -0.567
  170    HB2  GLU  24           HB2      GLU  24   4.657  13.677  -1.449
  171    HB3  GLU  24           HB1      GLU  24   4.494  13.717   0.302
  172    HG2  GLU  24           HG2      GLU  24   6.872  13.296   0.556
  173    HG3  GLU  24           HG1      GLU  24   7.051  13.167  -1.194
  174    H    ASP  25           HN       ASP  25   6.095   9.584  -0.557
  175    HA   ASP  25           HA       ASP  25   7.147  10.131  -3.230
  176    HB2  ASP  25           HB2      ASP  25   8.774  10.026  -1.458
  177    HB3  ASP  25           HB1      ASP  25   8.256   8.417  -1.006
  178    H    VAL  26           HN       VAL  26   4.978   8.186  -1.608
  179    HA   VAL  26           HA       VAL  26   5.440   5.769  -3.140
  180    HB   VAL  26           HB       VAL  26   3.372   6.431  -0.992
  181   HG11  VAL  26          HG11      VAL  26   3.116   4.023  -0.733
  182   HG12  VAL  26          HG12      VAL  26   4.250   3.760  -2.061
  183   HG13  VAL  26          HG13      VAL  26   2.700   4.544  -2.366
  184   HG21  VAL  26          HG21      VAL  26   4.801   5.191   0.559
  185   HG22  VAL  26          HG22      VAL  26   5.606   6.620  -0.087
  186   HG23  VAL  26          HG23      VAL  26   6.016   5.019  -0.707
  187    H    LYS  27           HN       LYS  27   5.016   6.876  -5.060
  188    HA   LYS  27           HA       LYS  27   2.380   8.043  -5.461
  189    HB2  LYS  27           HB2      LYS  27   4.916   8.292  -7.099
  190    HB3  LYS  27           HB1      LYS  27   3.381   9.103  -7.410
  191    HG2  LYS  27           HG2      LYS  27   3.525  10.328  -5.348
  192    HG3  LYS  27           HG1      LYS  27   4.993   9.470  -4.896
  193    HD2  LYS  27           HD2      LYS  27   4.731  11.234  -7.336
  194    HD3  LYS  27           HD1      LYS  27   5.365  11.784  -5.789
  195    HE2  LYS  27           HE2      LYS  27   6.525   9.546  -7.456
  196    HE3  LYS  27           HE1      LYS  27   7.142  11.193  -7.409
  197    HZ1  LYS  27           HZ1      LYS  27   8.406   9.691  -5.977
  198    HZ2  LYS  27           HZ2      LYS  27   7.067   9.307  -5.088
  199    HZ3  LYS  27           HZ3      LYS  27   7.682  10.893  -5.047
  200    H    LEU  28           HN       LEU  28   1.430   7.797  -7.664
  201    HA   LEU  28           HA       LEU  28   0.376   5.334  -7.959
  202    HB2  LEU  28           HB2      LEU  28   0.587   7.473 -10.053
  203    HB3  LEU  28           HB1      LEU  28  -0.358   6.015 -10.271
  204    HG   LEU  28           HG       LEU  28  -0.813   8.070  -8.097
  205   HD11  LEU  28          HD11      LEU  28  -2.862   8.585  -9.313
  206   HD12  LEU  28          HD12      LEU  28  -2.369   7.493 -10.607
  207   HD13  LEU  28          HD13      LEU  28  -1.424   8.951 -10.272
  208   HD21  LEU  28          HD21      LEU  28  -1.461   5.857  -7.387
  209   HD22  LEU  28          HD22      LEU  28  -2.394   5.621  -8.867
  210   HD23  LEU  28          HD23      LEU  28  -2.886   6.844  -7.691
  211    H    ASP  29           HN       ASP  29   2.895   6.411 -10.244
  212    HA   ASP  29           HA       ASP  29   2.930   3.650 -11.223
  213    HB2  ASP  29           HB2      ASP  29   4.268   4.460 -13.124
  214    HB3  ASP  29           HB1      ASP  29   2.773   5.364 -12.961
  215    H    LYS  30           HN       LYS  30   4.094   4.427  -8.657
  216    HA   LYS  30           HA       LYS  30   6.890   3.771  -9.170
  217    HB2  LYS  30           HB2      LYS  30   5.546   4.937  -6.717
  218    HB3  LYS  30           HB1      LYS  30   7.252   4.528  -6.851
  219    HG2  LYS  30           HG2      LYS  30   5.995   6.517  -8.720
  220    HG3  LYS  30           HG1      LYS  30   6.567   6.988  -7.120
  221    HD2  LYS  30           HD2      LYS  30   8.347   7.449  -8.605
  222    HD3  LYS  30           HD1      LYS  30   8.794   5.989  -7.745
  223    HE2  LYS  30           HE2      LYS  30   9.396   5.452  -9.883
  224    HE3  LYS  30           HE1      LYS  30   7.766   4.798  -9.825
  225    HZ1  LYS  30           HZ1      LYS  30   8.397   6.084 -11.827
  226    HZ2  LYS  30           HZ2      LYS  30   8.399   7.485 -10.910
  227    HZ3  LYS  30           HZ3      LYS  30   6.949   6.624 -11.161
  228    H    SER  31           HN       SER  31   7.486   1.751  -8.754
  229    HA   SER  31           HA       SER  31   5.505  -0.091  -7.785
  230    HB2  SER  31           HB2      SER  31   8.353  -0.591  -8.623
  231    HB3  SER  31           HB1      SER  31   7.074  -1.794  -8.455
  232    HG   SER  31           HG       SER  31   7.713  -0.365 -10.562
  233    H    PHE  32           HN       PHE  32   5.456  -1.057  -5.896
  234    HA   PHE  32           HA       PHE  32   6.871  -0.152  -3.638
  235    HB2  PHE  32           HB2      PHE  32   5.475  -2.810  -4.019
  236    HB3  PHE  32           HB1      PHE  32   6.002  -2.157  -2.483
  237    HD1  PHE  32           HD1      PHE  32   5.016   0.233  -1.948
  238    HD2  PHE  32           HD2      PHE  32   3.315  -2.594  -4.607
  239    HE1  PHE  32           HE1      PHE  32   2.812   1.286  -1.643
  240    HE2  PHE  32           HE2      PHE  32   1.111  -1.543  -4.333
  241    HZ   PHE  32           HZ       PHE  32   0.857   0.396  -2.843
  242    H    THR  33           HN       THR  33   7.192  -3.107  -5.587
  243    HA   THR  33           HA       THR  33   9.562  -3.804  -4.161
  244    HB   THR  33           HB       THR  33   9.332  -5.702  -6.011
  245    HG1  THR  33           HG1      THR  33   6.700  -5.661  -5.786
  246   HG21  THR  33          HG21      THR  33   7.970  -6.923  -4.377
  247   HG22  THR  33          HG22      THR  33   7.588  -5.402  -3.566
  248   HG23  THR  33          HG23      THR  33   9.247  -6.001  -3.586
  249    H    ASP  34           HN       ASP  34  10.012  -1.450  -5.596
  250    HA   ASP  34           HA       ASP  34  12.249  -2.233  -7.170
  251    HB2  ASP  34           HB2      ASP  34  10.340  -2.585  -8.804
  252    HB3  ASP  34           HB1      ASP  34  10.101  -0.841  -8.749
  253    H    ASP  35           HN       ASP  35   9.995   0.534  -7.282
  254    HA   ASP  35           HA       ASP  35  12.198   2.395  -7.324
  255    HB2  ASP  35           HB2      ASP  35   9.225   2.905  -7.083
  256    HB3  ASP  35           HB1      ASP  35  10.458   4.112  -7.396
  257    H    LEU  36           HN       LEU  36   9.547   1.573  -5.241
  258    HA   LEU  36           HA       LEU  36  10.251   3.501  -3.243
  259    HB2  LEU  36           HB2      LEU  36   8.241   1.268  -3.135
  260    HB3  LEU  36           HB1      LEU  36   8.316   2.650  -2.058
  261    HG   LEU  36           HG       LEU  36   7.657   2.704  -4.997
  262   HD11  LEU  36          HD11      LEU  36   5.955   3.196  -2.579
  263   HD12  LEU  36          HD12      LEU  36   5.871   1.804  -3.663
  264   HD13  LEU  36          HD13      LEU  36   5.451   3.412  -4.255
  265   HD21  LEU  36          HD21      LEU  36   7.177   5.084  -4.646
  266   HD22  LEU  36          HD22      LEU  36   8.875   4.683  -4.396
  267   HD23  LEU  36          HD23      LEU  36   7.825   4.961  -3.003
  268    H    ASP  37           HN       ASP  37   9.891  -0.030  -3.206
  269    HA   ASP  37           HA       ASP  37  10.652  -1.646  -1.968
  270    HB2  ASP  37           HB2      ASP  37  12.865  -1.079  -2.875
  271    HB3  ASP  37           HB1      ASP  37  13.099   0.100  -1.589
  272    H    VAL  38           HN       VAL  38   9.342  -1.921  -0.393
  273    HA   VAL  38           HA       VAL  38   9.224   0.109   1.741
  274    HB   VAL  38           HB       VAL  38   7.080  -1.816   0.744
  275   HG11  VAL  38          HG11      VAL  38   6.791   0.535   2.642
  276   HG12  VAL  38          HG12      VAL  38   6.652  -1.175   3.065
  277   HG13  VAL  38          HG13      VAL  38   5.460  -0.435   2.002
  278   HG21  VAL  38          HG21      VAL  38   6.003   0.151  -0.264
  279   HG22  VAL  38          HG22      VAL  38   7.583  -0.208  -0.964
  280   HG23  VAL  38          HG23      VAL  38   7.405   1.121   0.183
  281    H    ASP  39           HN       ASP  39  11.083  -1.982   1.661
  282    HA   ASP  39           HA       ASP  39  11.845  -3.906   2.519
  283    HB2  ASP  39           HB2      ASP  39  11.836  -2.328   4.573
  284    HB3  ASP  39           HB1      ASP  39  10.307  -3.235   4.831
  285    H    SER  40           HN       SER  40  10.887  -5.138   1.519
  286    HA   SER  40           HA       SER  40   8.343  -5.936   1.034
  287    HB2  SER  40           HB2      SER  40   9.300  -7.980   0.099
  288    HB3  SER  40           HB1      SER  40  10.155  -6.503  -0.330
  289    H    LEU  41           HN       LEU  41  10.256  -7.229   3.721
  290    HA   LEU  41           HA       LEU  41   8.218  -9.194   4.206
  291    HB2  LEU  41           HB2      LEU  41   9.571  -9.951   6.141
  292    HB3  LEU  41           HB1      LEU  41  10.441  -9.978   4.631
  293    HG   LEU  41           HG       LEU  41  11.520  -7.792   5.389
  294   HD11  LEU  41          HD11      LEU  41   9.968  -7.219   7.172
  295   HD12  LEU  41          HD12      LEU  41  11.605  -7.384   7.808
  296   HD13  LEU  41          HD13      LEU  41  10.418  -8.670   8.067
  297   HD21  LEU  41          HD21      LEU  41  13.169  -8.966   6.765
  298   HD22  LEU  41          HD22      LEU  41  12.694  -9.907   5.352
  299   HD23  LEU  41          HD23      LEU  41  12.049 -10.316   6.944
  300    H    SER  42           HN       SER  42   9.145  -6.102   5.551
  301    HA   SER  42           HA       SER  42   7.218  -6.388   7.659
  302    HB2  SER  42           HB2      SER  42   7.926  -4.066   8.302
  303    HB3  SER  42           HB1      SER  42   9.231  -5.250   8.300
  304    HG   SER  42           HG       SER  42   9.968  -4.432   6.390
  305    H    MET  43           HN       MET  43   7.218  -5.470   4.521
  306    HA   MET  43           HA       MET  43   5.513  -3.465   4.164
  307    HB2  MET  43           HB2      MET  43   6.378  -4.575   2.245
  308    HB3  MET  43           HB1      MET  43   5.582  -6.081   2.676
  309    HG2  MET  43           HG2      MET  43   4.015  -3.645   2.114
  310    HG3  MET  43           HG1      MET  43   4.650  -4.613   0.768
  311    HE1  MET  43           HE1      MET  43   3.721  -7.007   0.204
  312    HE2  MET  43           HE2      MET  43   2.678  -7.962   1.258
  313    HE3  MET  43           HE3      MET  43   4.327  -7.556   1.758
  314    H    VAL  44           HN       VAL  44   4.561  -6.699   4.953
  315    HA   VAL  44           HA       VAL  44   1.811  -6.560   4.837
  316    HB   VAL  44           HB       VAL  44   3.409  -8.140   6.880
  317   HG11  VAL  44          HG11      VAL  44   1.488  -9.655   6.992
  318   HG12  VAL  44          HG12      VAL  44   0.581  -8.591   5.919
  319   HG13  VAL  44          HG13      VAL  44   1.053  -8.029   7.521
  320   HG21  VAL  44          HG21      VAL  44   2.403  -8.917   4.143
  321   HG22  VAL  44          HG22      VAL  44   3.224  -9.990   5.274
  322   HG23  VAL  44          HG23      VAL  44   4.079  -8.604   4.583
  323    H    GLU  45           HN       GLU  45   3.906  -5.284   7.287
  324    HA   GLU  45           HA       GLU  45   1.912  -4.843   9.264
  325    HB2  GLU  45           HB2      GLU  45   4.696  -3.716   8.971
  326    HB3  GLU  45           HB1      GLU  45   3.719  -3.681  10.439
  327    HG2  GLU  45           HG2      GLU  45   3.743  -6.100  10.558
  328    HG3  GLU  45           HG1      GLU  45   4.553  -6.179   9.016
  329    H    VAL  46           HN       VAL  46   3.192  -3.120   6.557
  330    HA   VAL  46           HA       VAL  46   2.055  -0.555   7.070
  331    HB   VAL  46           HB       VAL  46   2.551  -1.909   4.378
  332   HG11  VAL  46          HG11      VAL  46   1.035  -0.028   4.133
  333   HG12  VAL  46          HG12      VAL  46   2.596   0.363   3.423
  334   HG13  VAL  46          HG13      VAL  46   2.156   1.021   4.993
  335   HG21  VAL  46          HG21      VAL  46   4.625  -1.755   5.636
  336   HG22  VAL  46          HG22      VAL  46   4.347  -0.036   5.917
  337   HG23  VAL  46          HG23      VAL  46   4.645  -0.625   4.283
  338    H    VAL  47           HN       VAL  47   1.062  -3.352   5.167
  339    HA   VAL  47           HA       VAL  47  -1.379  -2.565   4.180
  340    HB   VAL  47           HB       VAL  47  -0.710  -5.350   5.160
  341   HG11  VAL  47          HG11      VAL  47  -3.080  -5.061   4.642
  342   HG12  VAL  47          HG12      VAL  47  -2.295  -6.091   3.447
  343   HG13  VAL  47          HG13      VAL  47  -2.661  -4.409   3.058
  344   HG21  VAL  47          HG21      VAL  47   0.999  -4.493   3.679
  345   HG22  VAL  47          HG22      VAL  47  -0.230  -4.053   2.494
  346   HG23  VAL  47          HG23      VAL  47   0.053  -5.748   2.883
  347    H    VAL  48           HN       VAL  48  -0.904  -4.349   7.227
  348    HA   VAL  48           HA       VAL  48  -3.575  -4.463   8.029
  349    HB   VAL  48           HB       VAL  48  -1.595  -5.621   8.965
  350   HG11  VAL  48          HG11      VAL  48  -0.502  -4.748  10.964
  351   HG12  VAL  48          HG12      VAL  48  -1.261  -3.187  10.589
  352   HG13  VAL  48          HG13      VAL  48  -0.134  -3.917   9.443
  353   HG21  VAL  48          HG21      VAL  48  -3.601  -4.537  10.929
  354   HG22  VAL  48          HG22      VAL  48  -2.569  -5.935  11.229
  355   HG23  VAL  48          HG23      VAL  48  -3.770  -5.989   9.941
  356    H    ALA  49           HN       ALA  49  -1.342  -2.038   8.437
  357    HA   ALA  49           HA       ALA  49  -3.024  -0.311  10.086
  358    HB1  ALA  49           HB1      ALA  49  -0.593  -0.227  10.368
  359    HB2  ALA  49           HB2      ALA  49  -1.258   1.353   9.948
  360    HB3  ALA  49           HB3      ALA  49  -0.433   0.387   8.721
  361    H    ALA  50           HN       ALA  50  -2.167  -0.581   6.730
  362    HA   ALA  50           HA       ALA  50  -3.392   1.801   5.841
  363    HB1  ALA  50           HB1      ALA  50  -3.326   0.760   3.609
  364    HB2  ALA  50           HB2      ALA  50  -2.915  -0.788   4.345
  365    HB3  ALA  50           HB3      ALA  50  -1.787   0.563   4.450
  366    H    GLU  51           HN       GLU  51  -4.498  -1.493   6.347
  367    HA   GLU  51           HA       GLU  51  -7.092  -1.299   5.409
  368    HB2  GLU  51           HB2      GLU  51  -6.139  -2.767   7.865
  369    HB3  GLU  51           HB1      GLU  51  -7.658  -3.050   7.039
  370    HG2  GLU  51           HG2      GLU  51  -6.453  -3.810   5.070
  371    HG3  GLU  51           HG1      GLU  51  -4.918  -3.513   5.885
  372    H    GLU  52           HN       GLU  52  -5.753  -0.578   8.571
  373    HA   GLU  52           HA       GLU  52  -7.980   0.321   9.952
  374    HB2  GLU  52           HB2      GLU  52  -5.800  -0.122  10.967
  375    HB3  GLU  52           HB1      GLU  52  -5.110   1.250  10.117
  376    HG2  GLU  52           HG2      GLU  52  -6.714   2.703  11.369
  377    HG3  GLU  52           HG1      GLU  52  -7.130   1.281  12.331
  378    H    ARG  53           HN       ARG  53  -5.750   2.006   7.857
  379    HA   ARG  53           HA       ARG  53  -6.661   4.656   8.232
  380    HB2  ARG  53           HB2      ARG  53  -4.436   4.218   7.438
  381    HB3  ARG  53           HB1      ARG  53  -5.059   3.369   6.032
  382    HG2  ARG  53           HG2      ARG  53  -4.265   5.540   5.387
  383    HG3  ARG  53           HG1      ARG  53  -6.016   5.472   5.210
  384    HD2  ARG  53           HD2      ARG  53  -6.220   6.600   7.411
  385    HD3  ARG  53           HD1      ARG  53  -4.461   6.763   7.439
  386    HE   ARG  53           HE       ARG  53  -6.262   7.984   5.481
  387   HH11  ARG  53          HH11      ARG  53  -3.228   8.043   7.360
  388   HH12  ARG  53          HH12      ARG  53  -2.662   9.483   6.677
  389   HH21  ARG  53          HH21      ARG  53  -5.495  10.009   4.577
  390   HH22  ARG  53          HH22      ARG  53  -3.987  10.647   5.090
  391    H    PHE  54           HN       PHE  54  -7.233   2.381   5.547
  392    HA   PHE  54           HA       PHE  54  -8.946   4.350   4.234
  393    HB2  PHE  54           HB2      PHE  54  -8.261   1.561   3.306
  394    HB3  PHE  54           HB1      PHE  54  -8.967   2.854   2.345
  395    HD1  PHE  54           HD1      PHE  54  -7.460   5.129   2.732
  396    HD2  PHE  54           HD2      PHE  54  -6.110   1.110   2.705
  397    HE1  PHE  54           HE1      PHE  54  -5.203   5.889   2.015
  398    HE2  PHE  54           HE2      PHE  54  -3.868   1.843   2.005
  399    HZ   PHE  54           HZ       PHE  54  -3.365   4.221   1.805
  400    H    ASP  55           HN       ASP  55  -9.424   2.111   6.556
  401    HA   ASP  55           HA       ASP  55 -11.132   0.927   7.404
  402    HB2  ASP  55           HB2      ASP  55 -12.799   2.621   5.518
  403    HB3  ASP  55           HB1      ASP  55 -13.514   1.414   6.573
  404    H    VAL  56           HN       VAL  56  -9.602   0.149   5.161
  405    HA   VAL  56           HA       VAL  56 -11.400  -1.602   3.664
  406    HB   VAL  56           HB       VAL  56  -9.675  -0.135   2.450
  407   HG11  VAL  56          HG11      VAL  56  -7.771  -0.336   3.868
  408   HG12  VAL  56          HG12      VAL  56  -7.375  -0.945   2.251
  409   HG13  VAL  56          HG13      VAL  56  -7.686  -2.075   3.556
  410   HG21  VAL  56          HG21      VAL  56  -8.994  -1.835   0.793
  411   HG22  VAL  56          HG22      VAL  56 -10.693  -1.965   1.242
  412   HG23  VAL  56          HG23      VAL  56  -9.518  -3.101   1.903
  413    H    LYS  57           HN       LYS  57 -10.026  -3.715   3.155
  414    HA   LYS  57           HA       LYS  57  -8.498  -4.779   5.311
  415    HB2  LYS  57           HB2      LYS  57 -11.209  -5.919   4.599
  416    HB3  LYS  57           HB1      LYS  57  -9.955  -6.891   5.365
  417    HG2  LYS  57           HG2      LYS  57 -11.222  -4.404   6.531
  418    HG3  LYS  57           HG1      LYS  57 -11.614  -6.065   6.986
  419    HD2  LYS  57           HD2      LYS  57  -9.333  -6.405   7.793
  420    HD3  LYS  57           HD1      LYS  57  -8.893  -4.784   7.242
  421    HE2  LYS  57           HE2      LYS  57 -10.377  -3.775   8.839
  422    HE3  LYS  57           HE1      LYS  57 -10.997  -5.353   9.323
  423    HZ1  LYS  57           HZ1      LYS  57  -8.864  -5.908  10.224
  424    HZ2  LYS  57           HZ2      LYS  57  -9.363  -4.441  10.900
  425    HZ3  LYS  57           HZ3      LYS  57  -8.166  -4.463   9.720
  426    H    ILE  58           HN       ILE  58  -6.990  -5.885   4.447
  427    HA   ILE  58           HA       ILE  58  -7.321  -7.275   1.933
  428    HB   ILE  58           HB       ILE  58  -5.084  -5.216   2.254
  429   HG12  ILE  58          HG12      ILE  58  -7.488  -5.062   0.408
  430   HG13  ILE  58          HG11      ILE  58  -7.271  -4.091   1.857
  431   HG21  ILE  58          HG21      ILE  58  -4.589  -5.758  -0.084
  432   HG22  ILE  58          HG22      ILE  58  -5.947  -6.874  -0.113
  433   HG23  ILE  58          HG23      ILE  58  -4.542  -7.226   0.910
  434   HD11  ILE  58          HD11      ILE  58  -5.517  -4.043  -0.586
  435   HD12  ILE  58          HD12      ILE  58  -5.297  -3.059   0.862
  436   HD13  ILE  58          HD13      ILE  58  -6.726  -2.834  -0.149
  437    HA   PRO  59           HA       PRO  59  -4.823  -9.658   4.820
  438    HB2  PRO  59           HB2      PRO  59  -5.288 -11.861   2.934
  439    HB3  PRO  59           HB1      PRO  59  -5.783 -11.692   4.626
  440    HG2  PRO  59           HG2      PRO  59  -7.546 -11.601   2.568
  441    HG3  PRO  59           HG1      PRO  59  -7.780 -10.740   4.102
  442    HD2  PRO  59           HD2      PRO  59  -6.845  -9.694   1.461
  443    HD3  PRO  59           HD1      PRO  59  -7.929  -8.954   2.657
  444    H    ASP  60           HN       ASP  60  -2.811 -10.845   4.620
  445    HA   ASP  60           HA       ASP  60  -1.058  -9.614   2.763
  446    HB2  ASP  60           HB2      ASP  60   0.761 -10.892   3.703
  447    HB3  ASP  60           HB1      ASP  60  -0.223 -10.211   4.990
  448    H    ASP  61           HN       ASP  61  -2.883 -12.420   2.535
  449    HA   ASP  61           HA       ASP  61  -1.410 -13.682   0.457
  450    HB2  ASP  61           HB2      ASP  61  -3.134 -14.927   1.574
  451    HB3  ASP  61           HB1      ASP  61  -4.348 -13.726   1.157
  452    H    ASP  62           HN       ASP  62  -4.165 -11.484   0.455
  453    HA   ASP  62           HA       ASP  62  -4.478 -11.200  -2.315
  454    HB2  ASP  62           HB2      ASP  62  -5.363  -9.579   0.045
  455    HB3  ASP  62           HB1      ASP  62  -5.552  -8.915  -1.565
  456    H    VAL  63           HN       VAL  63  -2.570  -9.348  -0.013
  457    HA   VAL  63           HA       VAL  63  -1.988  -7.212  -1.746
  458    HB   VAL  63           HB       VAL  63  -1.805  -7.081   0.737
  459   HG11  VAL  63          HG11      VAL  63   0.811  -8.505   0.357
  460   HG12  VAL  63          HG12      VAL  63  -0.621  -9.159   1.150
  461   HG13  VAL  63          HG13      VAL  63   0.233  -7.782   1.855
  462   HG21  VAL  63          HG21      VAL  63  -0.859  -5.325  -0.651
  463   HG22  VAL  63          HG22      VAL  63   0.657  -6.225  -0.764
  464   HG23  VAL  63          HG23      VAL  63   0.129  -5.585   0.788
  465    H    LYS  64           HN       LYS  64  -0.571 -10.346  -1.619
  466    HA   LYS  64           HA       LYS  64   2.043  -9.801  -2.405
  467    HB2  LYS  64           HB2      LYS  64   0.367 -12.230  -2.990
  468    HB3  LYS  64           HB1      LYS  64   2.082 -12.121  -3.341
  469    HG2  LYS  64           HG2      LYS  64   2.474 -11.715  -0.928
  470    HG3  LYS  64           HG1      LYS  64   0.755 -12.030  -0.656
  471    HD2  LYS  64           HD2      LYS  64   0.977 -14.247  -1.575
  472    HD3  LYS  64           HD1      LYS  64   2.671 -13.944  -1.976
  473    HE2  LYS  64           HE2      LYS  64   2.565 -15.239   0.035
  474    HE3  LYS  64           HE1      LYS  64   3.123 -13.616   0.426
  475    HZ1  LYS  64           HZ1      LYS  64   1.555 -14.298   2.020
  476    HZ2  LYS  64           HZ2      LYS  64   0.439 -14.758   0.850
  477    HZ3  LYS  64           HZ3      LYS  64   0.789 -13.103   1.089
  478    H    ASN  65           HN       ASN  65  -0.808  -9.492  -4.187
  479    HA   ASN  65           HA       ASN  65   0.372 -10.074  -6.772
  480    HB2  ASN  65           HB2      ASN  65  -2.448  -9.223  -6.093
  481    HB3  ASN  65           HB1      ASN  65  -1.875  -9.795  -7.653
  482   HD21  ASN  65          HD21      ASN  65  -2.903 -10.677  -4.483
  483   HD22  ASN  65          HD22      ASN  65  -2.925 -12.377  -4.701
  484    H    LEU  66           HN       LEU  66   0.648  -7.477  -4.876
  485    HA   LEU  66           HA       LEU  66  -0.142  -5.503  -6.849
  486    HB2  LEU  66           HB2      LEU  66   0.888  -5.192  -4.041
  487    HB3  LEU  66           HB1      LEU  66   0.505  -3.845  -5.101
  488    HG   LEU  66           HG       LEU  66  -1.460  -5.926  -4.139
  489   HD11  LEU  66          HD11      LEU  66  -1.133  -3.028  -3.402
  490   HD12  LEU  66          HD12      LEU  66  -0.765  -4.411  -2.370
  491   HD13  LEU  66          HD13      LEU  66  -2.430  -4.095  -2.861
  492   HD21  LEU  66          HD21      LEU  66  -1.979  -5.101  -6.367
  493   HD22  LEU  66          HD22      LEU  66  -1.858  -3.439  -5.787
  494   HD23  LEU  66          HD23      LEU  66  -3.133  -4.497  -5.180
  495    H    LYS  67           HN       LYS  67   1.234  -3.818  -7.553
  496    HA   LYS  67           HA       LYS  67   4.087  -4.512  -7.627
  497    HB2  LYS  67           HB2      LYS  67   3.128  -5.008  -9.784
  498    HB3  LYS  67           HB1      LYS  67   2.315  -3.448  -9.825
  499    HG2  LYS  67           HG2      LYS  67   4.653  -2.437  -9.672
  500    HG3  LYS  67           HG1      LYS  67   5.226  -4.048 -10.116
  501    HD2  LYS  67           HD2      LYS  67   3.923  -3.966 -12.164
  502    HD3  LYS  67           HD1      LYS  67   3.239  -2.410 -11.625
  503    HE2  LYS  67           HE2      LYS  67   5.361  -1.354 -11.709
  504    HE3  LYS  67           HE1      LYS  67   6.168  -2.878 -12.069
  505    HZ1  LYS  67           HZ1      LYS  67   5.264  -2.938 -14.176
  506    HZ2  LYS  67           HZ2      LYS  67   5.721  -1.317 -14.010
  507    HZ3  LYS  67           HZ3      LYS  67   4.101  -1.768 -13.876
  508    H    THR  68           HN       THR  68   1.907  -1.911  -8.600
  509    HA   THR  68           HA       THR  68   3.697   0.065  -7.356
  510    HB   THR  68           HB       THR  68   2.689   1.693  -8.923
  511    HG1  THR  68           HG1      THR  68   1.244  -0.596  -9.883
  512   HG21  THR  68          HG21      THR  68   3.794  -0.727 -10.350
  513   HG22  THR  68          HG22      THR  68   4.744   0.577  -9.636
  514   HG23  THR  68          HG23      THR  68   3.693   0.902 -11.018
  515    H    VAL  69           HN       VAL  69   2.206   2.167  -6.953
  516    HA   VAL  69           HA       VAL  69   0.036   1.120  -5.441
  517    HB   VAL  69           HB       VAL  69  -0.249   3.087  -4.310
  518   HG11  VAL  69          HG11      VAL  69   1.809   2.191  -3.702
  519   HG12  VAL  69          HG12      VAL  69   1.892   3.952  -3.632
  520   HG13  VAL  69          HG13      VAL  69   2.645   3.084  -4.978
  521   HG21  VAL  69          HG21      VAL  69  -0.642   4.590  -6.046
  522   HG22  VAL  69          HG22      VAL  69   1.054   4.567  -6.545
  523   HG23  VAL  69          HG23      VAL  69   0.594   5.295  -5.001
  524    H    GLY  70           HN       GLY  70   0.521   2.085  -8.539
  525    HA2  GLY  70           HA2      GLY  70  -2.014   3.188  -9.140
  526    HA3  GLY  70           HA1      GLY  70  -0.918   2.411 -10.284
  527    H    ASP  71           HN       ASP  71  -0.727   0.002  -8.707
  528    HA   ASP  71           HA       ASP  71  -3.170  -1.307  -9.495
  529    HB2  ASP  71           HB2      ASP  71  -1.106  -2.582  -7.653
  530    HB3  ASP  71           HB1      ASP  71  -2.247  -3.323  -8.722
  531    H    ALA  72           HN       ALA  72  -1.416  -0.713  -6.490
  532    HA   ALA  72           HA       ALA  72  -3.213  -1.689  -4.673
  533    HB1  ALA  72           HB1      ALA  72  -2.088  -0.472  -2.977
  534    HB2  ALA  72           HB2      ALA  72  -1.491   0.705  -4.130
  535    HB3  ALA  72           HB3      ALA  72  -0.888  -0.958  -4.177
  536    H    THR  73           HN       THR  73  -3.206   1.652  -5.911
  537    HA   THR  73           HA       THR  73  -5.134   2.681  -4.216
  538    HB   THR  73           HB       THR  73  -4.641   3.388  -7.129
  539    HG1  THR  73           HG1      THR  73  -2.802   3.715  -5.928
  540   HG21  THR  73          HG21      THR  73  -6.017   4.973  -4.947
  541   HG22  THR  73          HG22      THR  73  -6.797   4.267  -6.357
  542   HG23  THR  73          HG23      THR  73  -5.638   5.580  -6.559
  543    H    LYS  74           HN       LYS  74  -5.634   1.435  -7.528
  544    HA   LYS  74           HA       LYS  74  -8.448   1.510  -7.506
  545    HB2  LYS  74           HB2      LYS  74  -6.510  -0.121  -9.158
  546    HB3  LYS  74           HB1      LYS  74  -8.240  -0.174  -9.394
  547    HG2  LYS  74           HG2      LYS  74  -7.181   1.200 -11.041
  548    HG3  LYS  74           HG1      LYS  74  -8.240   2.170 -10.008
  549    HD2  LYS  74           HD2      LYS  74  -6.347   3.090  -8.848
  550    HD3  LYS  74           HD1      LYS  74  -5.251   1.962  -9.636
  551    HE2  LYS  74           HE2      LYS  74  -5.075   4.207 -10.590
  552    HE3  LYS  74           HE1      LYS  74  -5.641   3.036 -11.773
  553    HZ1  LYS  74           HZ1      LYS  74  -7.778   3.930 -11.740
  554    HZ2  LYS  74           HZ2      LYS  74  -6.755   5.304 -11.634
  555    HZ3  LYS  74           HZ3      LYS  74  -7.541   4.729 -10.265
  556    H    TYR  75           HN       TYR  75  -6.106  -0.812  -6.553
  557    HA   TYR  75           HA       TYR  75  -7.692  -3.062  -6.351
  558    HB2  TYR  75           HB2      TYR  75  -5.187  -2.943  -6.346
  559    HB3  TYR  75           HB1      TYR  75  -5.270  -2.346  -4.699
  560    HD1  TYR  75           HD2      TYR  75  -6.171  -3.904  -2.910
  561    HD2  TYR  75           HD1      TYR  75  -5.250  -5.161  -6.852
  562    HE1  TYR  75           HE2      TYR  75  -6.066  -6.194  -2.125
  563    HE2  TYR  75           HE1      TYR  75  -5.116  -7.454  -6.128
  564    HH   TYR  75           HH       TYR  75  -4.718  -8.686  -4.011
  565    H    ILE  76           HN       ILE  76  -6.550  -0.743  -3.902
  566    HA   ILE  76           HA       ILE  76  -8.018  -1.730  -1.726
  567    HB   ILE  76           HB       ILE  76  -6.917   1.056  -2.235
  568   HG12  ILE  76          HG12      ILE  76  -5.852  -1.208  -0.531
  569   HG13  ILE  76          HG11      ILE  76  -5.265  -0.798  -2.135
  570   HG21  ILE  76          HG21      ILE  76  -8.712   1.163  -0.583
  571   HG22  ILE  76          HG22      ILE  76  -7.145   1.432   0.185
  572   HG23  ILE  76          HG23      ILE  76  -7.954  -0.129   0.346
  573   HD11  ILE  76          HD11      ILE  76  -4.541   1.382  -1.303
  574   HD12  ILE  76          HD12      ILE  76  -3.796   0.056  -0.408
  575   HD13  ILE  76          HD13      ILE  76  -5.134   0.956   0.303
  576    H    LEU  77           HN       LEU  77  -8.749   0.759  -4.130
  577    HA   LEU  77           HA       LEU  77 -11.136   1.549  -2.962
  578    HB2  LEU  77           HB2      LEU  77 -10.335   1.686  -5.863
  579    HB3  LEU  77           HB1      LEU  77 -11.759   2.470  -5.205
  580    HG   LEU  77           HG       LEU  77  -8.887   3.080  -4.520
  581   HD11  LEU  77          HD11      LEU  77  -9.579   3.961  -6.668
  582   HD12  LEU  77          HD12      LEU  77  -9.362   5.258  -5.493
  583   HD13  LEU  77          HD13      LEU  77 -10.985   4.716  -5.920
  584   HD21  LEU  77          HD21      LEU  77 -10.287   3.275  -2.549
  585   HD22  LEU  77          HD22      LEU  77 -11.415   4.300  -3.439
  586   HD23  LEU  77          HD23      LEU  77  -9.776   4.864  -3.116
  587    H    ASP  78           HN       ASP  78 -10.405  -1.111  -5.023
  588    HA   ASP  78           HA       ASP  78 -13.172  -1.829  -5.525
  589    HB2  ASP  78           HB2      ASP  78 -11.526  -2.239  -7.268
  590    HB3  ASP  78           HB1      ASP  78 -10.544  -3.185  -6.162
  591    H    HIS  79           HN       HIS  79 -10.684  -2.539  -3.283
  592    HA   HIS  79           HA       HIS  79 -11.890  -5.025  -2.317
  593    HB2  HIS  79           HB2      HIS  79  -9.296  -4.162  -2.560
  594    HB3  HIS  79           HB1      HIS  79  -9.608  -3.930  -0.851
  595    HD1  HIS  79           HD1      HIS  79 -10.025  -6.152   0.601
  596    HD2  HIS  79           HD2      HIS  79  -9.058  -6.795  -3.403
  597    HE1  HIS  79           HE1      HIS  79  -9.357  -8.525   0.444
  598    HE2  HIS  79           HE2      HIS  79  -8.582  -8.862  -1.909
  599    H    GLN  80           HN       GLN  80 -12.286  -1.718  -1.668
  600    HA   GLN  80           HA       GLN  80 -12.628  -2.156   1.186
  601    HB2  GLN  80           HB2      GLN  80 -12.685   0.254   1.502
  602    HB3  GLN  80           HB1      GLN  80 -11.271  -0.224   0.587
  603    HG2  GLN  80           HG2      GLN  80 -12.384   0.557  -1.484
  604    HG3  GLN  80           HG1      GLN  80 -13.765   1.085  -0.530
  605   HE21  GLN  80          HE21      GLN  80 -10.385   1.412   0.412
  606   HE22  GLN  80          HE22      GLN  80 -10.361   3.136   0.343
  607    H    ALA  81           HN       ALA  81 -14.401  -2.406   2.122
  608    HA   ALA  81           HA       ALA  81 -16.797  -1.051   1.531
  609    HB1  ALA  81           HB1      ALA  81 -16.985  -2.747  -0.256
  610    HB2  ALA  81           HB2      ALA  81 -18.182  -3.034   1.008
  611    HB3  ALA  81           HB3      ALA  81 -16.730  -4.029   0.932
  612    H2   SOO 101           H2A      SOO 101   4.630  -3.593  -1.028
  613    H3   SOO 101           H3A      SOO 101   1.844  -4.749  -1.721
  614    H4   SOO 101           H4A      SOO 101   2.465  -2.931   0.459
  615    H4A  SOO 101           H4B      SOO 101   2.648  -1.962  -1.004
  616    H5   SOO 101           H5A      SOO 101   0.178  -3.494  -0.206
  617    H5A  SOO 101           H5B      SOO 101   0.363  -2.508  -1.658
  618    H6   SOO 101           H6A      SOO 101   0.776  -0.535  -0.224
  619    H6A  SOO 101           H6B      SOO 101   0.473  -1.534   1.197
  620    H7   SOO 101           H7A      SOO 101  -1.526  -1.017  -1.017
  621    H7A  SOO 101           H7B      SOO 101  -1.515  -0.218   0.561
  622    H8   SOO 101           H8C      SOO 101  -1.833  -3.178   0.066
  623    H8A  SOO 101           H8A      SOO 101  -3.123  -2.055   0.493
  624    H8B  SOO 101           H8B      SOO 101  -1.833  -2.388   1.649
  625    H28  SOO 101          H28A      SOO 101  12.019 -10.870   0.256
  626   H28A  SOO 101          H28B      SOO 101  10.494 -10.059   0.589
  627    H30  SOO 101          H30A      SOO 101   8.661 -10.134  -1.100
  628   H30A  SOO 101          H30B      SOO 101   8.832 -11.139  -2.538
  629   H30B  SOO 101          H30C      SOO 101   9.776  -9.656  -2.379
  630    H31  SOO 101          H31A      SOO 101  12.260 -12.310  -1.739
  631   H31A  SOO 101          H31B      SOO 101  11.864 -10.927  -2.758
  632   H31B  SOO 101          H31C      SOO 101  10.950 -12.428  -2.914
  633    H32  SOO 101          H32A      SOO 101   9.318 -13.164  -1.040
  634   HO33  SOO 101          H33A      SOO 101  10.847 -13.241   1.089
  635   HN36  SOO 101          H36A      SOO 101   7.600 -11.379  -0.247
  636    H37  SOO 101          H37A      SOO 101   7.181 -11.769   2.629
  637   H37A  SOO 101          H37B      SOO 101   7.278 -10.123   2.058
  638    H38  SOO 101          H38A      SOO 101   5.215 -12.194   1.226
  639   H38A  SOO 101          H38B      SOO 101   5.003 -10.754   2.254
  640   HN41  SOO 101          H41A      SOO 101   6.522  -9.081   0.702
  641    H42  SOO 101          H42A      SOO 101   6.215  -8.683  -1.930
  642   H42A  SOO 101          H42B      SOO 101   4.620  -8.226  -1.317
  643    H43  SOO 101          H43A      SOO 101   7.255  -7.058  -0.412
  644   H43A  SOO 101          H43B      SOO 101   5.645  -6.577   0.144
  Start of MODEL    7
    1    H1   ALA   1           HT1      ALA   1 -16.221   5.051   1.465
    2    H2   ALA   1           HT2      ALA   1 -15.121   3.937   2.087
    3    H3   ALA   1           HT3      ALA   1 -16.386   3.407   1.106
    4    HA   ALA   1           HA       ALA   1 -14.254   3.438  -0.036
    5    HB1  ALA   1           HB1      ALA   1 -15.011   4.616  -2.027
    6    HB2  ALA   1           HB2      ALA   1 -16.255   5.445  -1.083
    7    HB3  ALA   1           HB3      ALA   1 -16.328   3.693  -1.304
    8    H    ALA   2           HN       ALA   2 -12.934   5.113  -1.422
    9    HA   ALA   2           HA       ALA   2 -12.404   7.609  -0.078
   10    HB1  ALA   2           HB1      ALA   2 -10.331   5.402  -0.250
   11    HB2  ALA   2           HB2      ALA   2 -11.064   6.016   1.233
   12    HB3  ALA   2           HB3      ALA   2 -10.020   7.060   0.268
   13    H    THR   3           HN       THR   3 -10.041   8.257  -1.354
   14    HA   THR   3           HA       THR   3 -10.703   7.943  -4.196
   15    HB   THR   3           HB       THR   3  -9.580  10.186  -4.407
   16    HG1  THR   3           HG1      THR   3  -9.785  11.214  -2.054
   17   HG21  THR   3          HG21      THR   3 -12.046  10.001  -4.346
   18   HG22  THR   3          HG22      THR   3 -11.502  11.475  -3.544
   19   HG23  THR   3          HG23      THR   3 -11.999  10.078  -2.585
   20    H    GLN   4           HN       GLN   4  -8.483   8.803  -5.454
   21    HA   GLN   4           HA       GLN   4  -6.415   6.976  -4.958
   22    HB2  GLN   4           HB2      GLN   4  -6.727   7.798  -7.199
   23    HB3  GLN   4           HB1      GLN   4  -6.692   9.466  -6.670
   24    HG2  GLN   4           HG2      GLN   4  -4.261   7.737  -6.424
   25    HG3  GLN   4           HG1      GLN   4  -4.668   8.489  -7.970
   26   HE21  GLN   4          HE21      GLN   4  -2.367   8.908  -6.284
   27   HE22  GLN   4          HE22      GLN   4  -2.351  10.555  -5.773
   28    H    GLU   5           HN       GLU   5  -6.927  10.351  -4.290
   29    HA   GLU   5           HA       GLU   5  -4.589  11.182  -3.149
   30    HB2  GLU   5           HB2      GLU   5  -6.467  12.622  -3.642
   31    HB3  GLU   5           HB1      GLU   5  -7.435  11.829  -2.417
   32    HG2  GLU   5           HG2      GLU   5  -5.947  12.693  -0.686
   33    HG3  GLU   5           HG1      GLU   5  -4.981  13.493  -1.931
   34    H    GLU   6           HN       GLU   6  -7.397   9.833  -1.450
   35    HA   GLU   6           HA       GLU   6  -6.270   9.795   1.090
   36    HB2  GLU   6           HB2      GLU   6  -8.489   8.174  -0.109
   37    HB3  GLU   6           HB1      GLU   6  -8.048   8.104   1.593
   38    HG2  GLU   6           HG2      GLU   6  -8.857  10.610   0.142
   39    HG3  GLU   6           HG1      GLU   6  -9.947   9.611   1.106
   40    H    ILE   7           HN       ILE   7  -6.234   7.368  -1.435
   41    HA   ILE   7           HA       ILE   7  -5.088   5.364   0.200
   42    HB   ILE   7           HB       ILE   7  -5.261   5.597  -2.815
   43   HG12  ILE   7          HG12      ILE   7  -6.761   3.936  -0.777
   44   HG13  ILE   7          HG11      ILE   7  -7.378   5.348  -1.624
   45   HG21  ILE   7          HG21      ILE   7  -3.313   4.212  -2.224
   46   HG22  ILE   7          HG22      ILE   7  -4.605   3.219  -2.904
   47   HG23  ILE   7          HG23      ILE   7  -4.326   3.231  -1.162
   48   HD11  ILE   7          HD11      ILE   7  -8.240   3.302  -2.571
   49   HD12  ILE   7          HD12      ILE   7  -6.599   2.731  -2.866
   50   HD13  ILE   7          HD13      ILE   7  -7.210   4.142  -3.731
   51    H    VAL   8           HN       VAL   8  -3.645   7.261  -2.421
   52    HA   VAL   8           HA       VAL   8  -1.030   6.393  -1.925
   53    HB   VAL   8           HB       VAL   8  -2.076   8.846  -3.359
   54   HG11  VAL   8          HG11      VAL   8   0.744   7.750  -3.347
   55   HG12  VAL   8          HG12      VAL   8   0.234   9.282  -2.633
   56   HG13  VAL   8          HG13      VAL   8   0.139   9.046  -4.380
   57   HG21  VAL   8          HG21      VAL   8  -2.722   6.788  -4.382
   58   HG22  VAL   8          HG22      VAL   8  -1.096   6.148  -4.208
   59   HG23  VAL   8          HG23      VAL   8  -1.388   7.454  -5.343
   60    H    ALA   9           HN       ALA   9  -2.549   9.506  -0.926
   61    HA   ALA   9           HA       ALA   9  -0.249  10.384   0.451
   62    HB1  ALA   9           HB1      ALA   9  -3.117  11.225   0.889
   63    HB2  ALA   9           HB2      ALA   9  -2.011  11.926  -0.294
   64    HB3  ALA   9           HB3      ALA   9  -1.682  12.098   1.432
   65    H    GLY  10           HN       GLY  10  -2.969   8.407   1.407
   66    HA2  GLY  10           HA2      GLY  10  -2.440   8.427   4.194
   67    HA3  GLY  10           HA1      GLY  10  -3.393   7.227   3.322
   68    H    LEU  11           HN       LEU  11  -1.672   6.119   1.599
   69    HA   LEU  11           HA       LEU  11  -0.311   4.208   2.955
   70    HB2  LEU  11           HB2      LEU  11  -0.436   5.158   0.229
   71    HB3  LEU  11           HB1      LEU  11   1.090   4.387   0.586
   72    HG   LEU  11           HG       LEU  11  -1.658   3.162   0.979
   73   HD11  LEU  11          HD11      LEU  11  -1.082   3.425  -1.378
   74   HD12  LEU  11          HD12      LEU  11  -1.046   1.728  -0.898
   75   HD13  LEU  11          HD13      LEU  11   0.461   2.621  -1.094
   76   HD21  LEU  11          HD21      LEU  11  -0.027   2.349   2.595
   77   HD22  LEU  11          HD22      LEU  11   1.110   2.008   1.306
   78   HD23  LEU  11          HD23      LEU  11  -0.399   1.088   1.413
   79    H    ALA  12           HN       ALA  12   1.026   7.177   1.632
   80    HA   ALA  12           HA       ALA  12   3.705   6.602   2.144
   81    HB1  ALA  12           HB1      ALA  12   2.999   8.405   0.750
   82    HB2  ALA  12           HB2      ALA  12   4.134   8.913   1.998
   83    HB3  ALA  12           HB3      ALA  12   2.406   9.295   2.164
   84    H    GLU  13           HN       GLU  13   1.259   7.950   4.235
   85    HA   GLU  13           HA       GLU  13   3.032   8.701   6.291
   86    HB2  GLU  13           HB2      GLU  13   0.094   8.052   6.349
   87    HB3  GLU  13           HB1      GLU  13   0.987   8.598   7.760
   88    HG2  GLU  13           HG2      GLU  13   1.571  10.664   6.563
   89    HG3  GLU  13           HG1      GLU  13   0.614  10.112   5.188
   90    H    ILE  14           HN       ILE  14   1.244   5.756   5.659
   91    HA   ILE  14           HA       ILE  14   2.181   4.421   8.008
   92    HB   ILE  14           HB       ILE  14   0.876   3.376   5.472
   93   HG12  ILE  14          HG12      ILE  14  -0.962   2.693   7.066
   94   HG13  ILE  14          HG11      ILE  14  -0.097   3.529   8.337
   95   HG21  ILE  14          HG21      ILE  14   1.735   1.720   7.834
   96   HG22  ILE  14          HG22      ILE  14   2.394   1.645   6.199
   97   HG23  ILE  14          HG23      ILE  14   0.728   1.153   6.500
   98   HD11  ILE  14          HD11      ILE  14  -1.280   4.779   5.871
   99   HD12  ILE  14          HD12      ILE  14  -0.415   5.638   7.145
  100   HD13  ILE  14          HD13      ILE  14  -1.948   4.837   7.501
  101    H    VAL  15           HN       VAL  15   3.133   4.377   4.613
  102    HA   VAL  15           HA       VAL  15   5.215   2.555   4.704
  103    HB   VAL  15           HB       VAL  15   4.789   4.964   2.905
  104   HG11  VAL  15          HG11      VAL  15   7.172   4.462   2.945
  105   HG12  VAL  15          HG12      VAL  15   6.453   4.020   1.395
  106   HG13  VAL  15          HG13      VAL  15   6.835   2.766   2.584
  107   HG21  VAL  15          HG21      VAL  15   3.149   3.181   2.708
  108   HG22  VAL  15          HG22      VAL  15   4.440   2.004   2.457
  109   HG23  VAL  15          HG23      VAL  15   4.154   3.270   1.261
  110    H    ASN  16           HN       ASN  16   5.165   5.926   5.502
  111    HA   ASN  16           HA       ASN  16   7.967   6.272   5.833
  112    HB2  ASN  16           HB2      ASN  16   6.249   8.084   5.466
  113    HB3  ASN  16           HB1      ASN  16   5.800   7.894   7.155
  114   HD21  ASN  16          HD21      ASN  16   8.250   8.838   4.959
  115   HD22  ASN  16          HD22      ASN  16   9.196   9.794   6.028
  116    H    GLU  17           HN       GLU  17   5.496   5.012   7.885
  117    HA   GLU  17           HA       GLU  17   7.033   5.225  10.333
  118    HB2  GLU  17           HB2      GLU  17   4.594   3.542   9.729
  119    HB3  GLU  17           HB1      GLU  17   5.228   3.933  11.319
  120    HG2  GLU  17           HG2      GLU  17   4.168   5.896   9.347
  121    HG3  GLU  17           HG1      GLU  17   3.227   5.233  10.685
  122    H    ILE  18           HN       ILE  18   5.965   2.721   8.135
  123    HA   ILE  18           HA       ILE  18   7.169   0.505   9.407
  124    HB   ILE  18           HB       ILE  18   6.366   0.844   6.514
  125   HG12  ILE  18          HG12      ILE  18   4.488   1.255   8.028
  126   HG13  ILE  18          HG11      ILE  18   4.266  -0.258   7.165
  127   HG21  ILE  18          HG21      ILE  18   7.853  -1.050   6.775
  128   HG22  ILE  18          HG22      ILE  18   6.211  -1.608   6.460
  129   HG23  ILE  18          HG23      ILE  18   6.869  -1.675   8.099
  130   HD11  ILE  18          HD11      ILE  18   3.580  -0.458   9.468
  131   HD12  ILE  18          HD12      ILE  18   5.181   0.048  10.017
  132   HD13  ILE  18          HD13      ILE  18   4.981  -1.483   9.157
  133    H    ALA  19           HN       ALA  19   8.161   2.344   6.531
  134    HA   ALA  19           HA       ALA  19  10.800   1.030   6.748
  135    HB1  ALA  19           HB1      ALA  19  11.079   1.299   4.364
  136    HB2  ALA  19           HB2      ALA  19   9.525   2.119   4.254
  137    HB3  ALA  19           HB3      ALA  19   9.595   0.416   4.714
  138    H    GLY  20           HN       GLY  20   9.154   4.067   6.339
  139    HA2  GLY  20           HA2      GLY  20  10.095   6.113   7.084
  140    HA3  GLY  20           HA1      GLY  20  11.692   5.392   6.950
  141    H    ILE  21           HN       ILE  21   9.428   5.024   4.399
  142    HA   ILE  21           HA       ILE  21  11.165   6.447   2.580
  143    HB   ILE  21           HB       ILE  21   8.504   5.038   2.144
  144   HG12  ILE  21          HG12      ILE  21  10.267   3.478   2.781
  145   HG13  ILE  21          HG11      ILE  21   9.818   3.239   1.097
  146   HG21  ILE  21          HG21      ILE  21   8.792   6.716   0.425
  147   HG22  ILE  21          HG22      ILE  21   8.971   5.103  -0.260
  148   HG23  ILE  21          HG23      ILE  21  10.399   6.095   0.052
  149   HD11  ILE  21          HD11      ILE  21  12.259   4.696   2.101
  150   HD12  ILE  21          HD12      ILE  21  11.822   4.471   0.406
  151   HD13  ILE  21          HD13      ILE  21  12.222   3.073   1.407
  152    HA   PRO  22           HA       PRO  22   9.482  10.535   3.053
  153    HB2  PRO  22           HB2      PRO  22   9.526  10.395   0.064
  154    HB3  PRO  22           HB1      PRO  22  10.059  11.699   1.133
  155    HG2  PRO  22           HG2      PRO  22  11.817  10.022   0.042
  156    HG3  PRO  22           HG1      PRO  22  12.022  10.619   1.698
  157    HD2  PRO  22           HD2      PRO  22  11.254   7.923   0.750
  158    HD3  PRO  22           HD1      PRO  22  12.025   8.412   2.270
  159    H    VAL  23           HN       VAL  23   7.574  11.391   3.187
  160    HA   VAL  23           HA       VAL  23   5.258   9.830   2.663
  161    HB   VAL  23           HB       VAL  23   4.004  11.764   3.656
  162   HG11  VAL  23          HG11      VAL  23   4.953  11.487   5.889
  163   HG12  VAL  23          HG12      VAL  23   6.409  10.782   5.185
  164   HG13  VAL  23          HG13      VAL  23   4.866   9.941   5.046
  165   HG21  VAL  23          HG21      VAL  23   6.778  12.854   3.830
  166   HG22  VAL  23          HG22      VAL  23   5.360  13.586   4.613
  167   HG23  VAL  23          HG23      VAL  23   5.480  13.495   2.839
  168    H    GLU  24           HN       GLU  24   6.742  11.227   0.311
  169    HA   GLU  24           HA       GLU  24   4.309  11.955  -1.106
  170    HB2  GLU  24           HB2      GLU  24   5.580  13.984  -0.418
  171    HB3  GLU  24           HB1      GLU  24   7.009  13.330  -1.206
  172    HG2  GLU  24           HG2      GLU  24   5.693  13.259  -3.270
  173    HG3  GLU  24           HG1      GLU  24   4.457  14.226  -2.451
  174    H    ASP  25           HN       ASP  25   6.596   9.725  -0.668
  175    HA   ASP  25           HA       ASP  25   7.461   9.663  -3.443
  176    HB2  ASP  25           HB2      ASP  25   9.184   9.880  -1.744
  177    HB3  ASP  25           HB1      ASP  25   8.747   8.333  -1.052
  178    H    VAL  26           HN       VAL  26   5.030   8.351  -1.804
  179    HA   VAL  26           HA       VAL  26   5.368   5.713  -2.954
  180    HB   VAL  26           HB       VAL  26   4.507   6.178  -0.544
  181   HG11  VAL  26          HG11      VAL  26   3.076   7.945  -1.054
  182   HG12  VAL  26          HG12      VAL  26   2.203   6.624  -0.234
  183   HG13  VAL  26          HG13      VAL  26   2.037   6.869  -1.982
  184   HG21  VAL  26          HG21      VAL  26   2.849   4.409  -2.326
  185   HG22  VAL  26          HG22      VAL  26   2.908   4.329  -0.564
  186   HG23  VAL  26          HG23      VAL  26   4.350   3.967  -1.512
  187    H    LYS  27           HN       LYS  27   5.432   7.349  -4.767
  188    HA   LYS  27           HA       LYS  27   3.134   8.608  -5.859
  189    HB2  LYS  27           HB2      LYS  27   5.648   7.727  -7.299
  190    HB3  LYS  27           HB1      LYS  27   4.490   8.945  -7.811
  191    HG2  LYS  27           HG2      LYS  27   5.171  10.462  -6.131
  192    HG3  LYS  27           HG1      LYS  27   6.093   9.217  -5.280
  193    HD2  LYS  27           HD2      LYS  27   7.666   9.075  -7.116
  194    HD3  LYS  27           HD1      LYS  27   6.709  10.201  -8.067
  195    HE2  LYS  27           HE2      LYS  27   8.679  11.290  -7.115
  196    HE3  LYS  27           HE1      LYS  27   7.197  11.983  -6.478
  197    HZ1  LYS  27           HZ1      LYS  27   8.939  11.663  -4.818
  198    HZ2  LYS  27           HZ2      LYS  27   8.889  10.000  -4.980
  199    HZ3  LYS  27           HZ3      LYS  27   7.533  10.878  -4.425
  200    H    LEU  28           HN       LEU  28   1.913   8.000  -7.770
  201    HA   LEU  28           HA       LEU  28   0.789   5.490  -7.747
  202    HB2  LEU  28           HB2      LEU  28   0.854   7.523  -9.957
  203    HB3  LEU  28           HB1      LEU  28  -0.071   6.042 -10.065
  204    HG   LEU  28           HG       LEU  28  -0.490   8.185  -7.959
  205   HD11  LEU  28          HD11      LEU  28  -2.556   8.665  -9.161
  206   HD12  LEU  28          HD12      LEU  28  -2.097   7.508 -10.407
  207   HD13  LEU  28          HD13      LEU  28  -1.138   8.976 -10.168
  208   HD21  LEU  28          HD21      LEU  28  -2.591   6.958  -7.547
  209   HD22  LEU  28          HD22      LEU  28  -1.159   6.048  -7.124
  210   HD23  LEU  28          HD23      LEU  28  -2.026   5.675  -8.620
  211    H    ASP  29           HN       ASP  29   3.563   6.489  -9.569
  212    HA   ASP  29           HA       ASP  29   3.570   4.054 -11.172
  213    HB2  ASP  29           HB2      ASP  29   5.347   6.489 -11.197
  214    HB3  ASP  29           HB1      ASP  29   5.562   5.104 -12.256
  215    H    LYS  30           HN       LYS  30   4.456   4.446  -8.092
  216    HA   LYS  30           HA       LYS  30   7.188   3.417  -8.360
  217    HB2  LYS  30           HB2      LYS  30   5.719   4.590  -5.997
  218    HB3  LYS  30           HB1      LYS  30   7.392   4.049  -5.989
  219    HG2  LYS  30           HG2      LYS  30   6.662   6.012  -8.062
  220    HG3  LYS  30           HG1      LYS  30   6.655   6.587  -6.400
  221    HD2  LYS  30           HD2      LYS  30   8.990   5.126  -7.611
  222    HD3  LYS  30           HD1      LYS  30   8.813   6.884  -7.689
  223    HE2  LYS  30           HE2      LYS  30   8.582   6.891  -5.209
  224    HE3  LYS  30           HE1      LYS  30   8.965   5.177  -5.219
  225    HZ1  LYS  30           HZ1      LYS  30  11.097   5.624  -6.046
  226    HZ2  LYS  30           HZ2      LYS  30  10.812   6.706  -4.734
  227    HZ3  LYS  30           HZ3      LYS  30  10.721   7.263  -6.328
  228    H    SER  31           HN       SER  31   7.481   1.332  -8.099
  229    HA   SER  31           HA       SER  31   5.395  -0.335  -7.075
  230    HB2  SER  31           HB2      SER  31   6.761  -1.069  -8.989
  231    HB3  SER  31           HB1      SER  31   8.207  -1.022  -7.980
  232    HG   SER  31           HG       SER  31   7.066  -3.154  -8.258
  233    H    PHE  32           HN       PHE  32   5.206  -1.126  -5.152
  234    HA   PHE  32           HA       PHE  32   6.523  -0.188  -2.864
  235    HB2  PHE  32           HB2      PHE  32   5.048  -2.802  -3.199
  236    HB3  PHE  32           HB1      PHE  32   5.532  -2.112  -1.665
  237    HD1  PHE  32           HD1      PHE  32   4.523   0.180  -1.075
  238    HD2  PHE  32           HD2      PHE  32   2.995  -2.393  -4.091
  239    HE1  PHE  32           HE1      PHE  32   2.326   1.258  -0.876
  240    HE2  PHE  32           HE2      PHE  32   0.800  -1.311  -3.911
  241    HZ   PHE  32           HZ       PHE  32   0.462   0.511  -2.300
  242    H    THR  33           HN       THR  33   6.631  -3.556  -3.985
  243    HA   THR  33           HA       THR  33   9.045  -3.952  -2.526
  244    HB   THR  33           HB       THR  33   8.575  -6.363  -3.425
  245    HG1  THR  33           HG1      THR  33   6.024  -6.225  -3.520
  246   HG21  THR  33          HG21      THR  33   8.307  -5.651  -1.082
  247   HG22  THR  33          HG22      THR  33   6.987  -6.719  -1.570
  248   HG23  THR  33          HG23      THR  33   6.720  -4.981  -1.469
  249    H    ASP  34           HN       ASP  34   9.621  -2.278  -4.511
  250    HA   ASP  34           HA       ASP  34  11.623  -3.744  -5.958
  251    HB2  ASP  34           HB2      ASP  34   9.783  -3.981  -7.566
  252    HB3  ASP  34           HB1      ASP  34   9.547  -2.234  -7.566
  253    H    ASP  35           HN       ASP  35   9.963  -0.554  -6.002
  254    HA   ASP  35           HA       ASP  35  12.612   0.642  -6.286
  255    HB2  ASP  35           HB2      ASP  35  10.721   1.359  -7.799
  256    HB3  ASP  35           HB1      ASP  35   9.948   2.038  -6.380
  257    H    LEU  36           HN       LEU  36   9.725   0.823  -4.297
  258    HA   LEU  36           HA       LEU  36  10.721   2.777  -2.504
  259    HB2  LEU  36           HB2      LEU  36   8.594   0.703  -2.007
  260    HB3  LEU  36           HB1      LEU  36   8.850   2.162  -1.084
  261    HG   LEU  36           HG       LEU  36   7.886   1.993  -3.928
  262   HD11  LEU  36          HD11      LEU  36   5.760   2.779  -2.984
  263   HD12  LEU  36          HD12      LEU  36   6.487   2.830  -1.383
  264   HD13  LEU  36          HD13      LEU  36   6.264   1.282  -2.180
  265   HD21  LEU  36          HD21      LEU  36   7.530   4.421  -3.721
  266   HD22  LEU  36          HD22      LEU  36   9.225   3.969  -3.601
  267   HD23  LEU  36          HD23      LEU  36   8.326   4.396  -2.143
  268    H    ASP  37           HN       ASP  37  10.147  -0.672  -2.147
  269    HA   ASP  37           HA       ASP  37  10.779  -2.242  -0.751
  270    HB2  ASP  37           HB2      ASP  37  13.123  -1.794  -1.535
  271    HB3  ASP  37           HB1      ASP  37  13.310  -0.659  -0.194
  272    H    VAL  38           HN       VAL  38   9.493  -2.339   0.803
  273    HA   VAL  38           HA       VAL  38   9.705  -0.225   2.769
  274    HB   VAL  38           HB       VAL  38   7.730   0.109   1.433
  275   HG11  VAL  38          HG11      VAL  38   6.731  -2.598   2.238
  276   HG12  VAL  38          HG12      VAL  38   7.230  -2.032   0.632
  277   HG13  VAL  38          HG13      VAL  38   5.810  -1.342   1.390
  278   HG21  VAL  38          HG21      VAL  38   7.009  -0.733   4.231
  279   HG22  VAL  38          HG22      VAL  38   6.005   0.272   3.185
  280   HG23  VAL  38          HG23      VAL  38   7.584   0.851   3.715
  281    H    ASP  39           HN       ASP  39  11.281  -1.782   3.312
  282    HA   ASP  39           HA       ASP  39  12.294  -3.000   4.832
  283    HB2  ASP  39           HB2      ASP  39  10.664  -1.864   6.458
  284    HB3  ASP  39           HB1      ASP  39   9.723  -3.351   6.396
  285    H    SER  40           HN       SER  40  10.036  -4.073   2.891
  286    HA   SER  40           HA       SER  40   9.704  -5.882   1.737
  287    HB2  SER  40           HB2      SER  40  11.981  -5.958   1.403
  288    HB3  SER  40           HB1      SER  40  12.338  -6.709   2.985
  289    H    LEU  41           HN       LEU  41  10.688  -7.322   4.876
  290    HA   LEU  41           HA       LEU  41   8.500  -9.194   4.588
  291    HB2  LEU  41           HB2      LEU  41   9.235 -10.103   6.814
  292    HB3  LEU  41           HB1      LEU  41  10.447 -10.158   5.561
  293    HG   LEU  41           HG       LEU  41  11.480  -8.094   6.639
  294   HD11  LEU  41          HD11      LEU  41   9.673  -8.823   8.933
  295   HD12  LEU  41          HD12      LEU  41   9.581  -7.366   7.952
  296   HD13  LEU  41          HD13      LEU  41  10.993  -7.645   8.977
  297   HD21  LEU  41          HD21      LEU  41  11.370 -10.644   8.232
  298   HD22  LEU  41          HD22      LEU  41  12.603  -9.390   8.381
  299   HD23  LEU  41          HD23      LEU  41  12.443 -10.298   6.876
  300    H    SER  42           HN       SER  42   9.130  -6.294   6.217
  301    HA   SER  42           HA       SER  42   6.930  -6.395   8.020
  302    HB2  SER  42           HB2      SER  42   9.024  -5.151   8.534
  303    HB3  SER  42           HB1      SER  42   8.693  -4.067   7.193
  304    HG   SER  42           HG       SER  42   7.036  -4.404   9.482
  305    H    MET  43           HN       MET  43   7.217  -5.891   4.815
  306    HA   MET  43           HA       MET  43   5.543  -3.954   4.078
  307    HB2  MET  43           HB2      MET  43   6.431  -4.906   2.230
  308    HB3  MET  43           HB1      MET  43   6.410  -6.513   2.926
  309    HG2  MET  43           HG2      MET  43   3.936  -5.211   1.897
  310    HG3  MET  43           HG1      MET  43   5.075  -6.073   0.850
  311    HE1  MET  43           HE1      MET  43   1.834  -6.584   1.714
  312    HE2  MET  43           HE2      MET  43   1.804  -8.340   1.538
  313    HE3  MET  43           HE3      MET  43   2.620  -7.341   0.334
  314    H    VAL  44           HN       VAL  44   4.578  -7.040   5.442
  315    HA   VAL  44           HA       VAL  44   1.821  -6.842   4.856
  316    HB   VAL  44           HB       VAL  44   3.146  -8.423   7.091
  317   HG11  VAL  44          HG11      VAL  44   0.366  -8.713   5.940
  318   HG12  VAL  44          HG12      VAL  44   0.754  -8.107   7.549
  319   HG13  VAL  44          HG13      VAL  44   1.106  -9.783   7.131
  320   HG21  VAL  44          HG21      VAL  44   2.914 -10.311   5.563
  321   HG22  VAL  44          HG22      VAL  44   3.925  -9.012   4.911
  322   HG23  VAL  44          HG23      VAL  44   2.257  -9.219   4.330
  323    H    GLU  45           HN       GLU  45   3.754  -5.454   7.374
  324    HA   GLU  45           HA       GLU  45   1.582  -4.816   9.088
  325    HB2  GLU  45           HB2      GLU  45   4.340  -3.594   8.936
  326    HB3  GLU  45           HB1      GLU  45   3.199  -3.391  10.259
  327    HG2  GLU  45           HG2      GLU  45   3.295  -5.835  10.643
  328    HG3  GLU  45           HG1      GLU  45   4.503  -5.941   9.383
  329    H    VAL  46           HN       VAL  46   3.237  -3.283   6.424
  330    HA   VAL  46           HA       VAL  46   2.129  -0.698   6.497
  331    HB   VAL  46           HB       VAL  46   2.499  -2.324   3.964
  332   HG11  VAL  46          HG11      VAL  46   2.608   0.668   4.425
  333   HG12  VAL  46          HG12      VAL  46   1.331  -0.211   3.608
  334   HG13  VAL  46          HG13      VAL  46   2.935  -0.137   2.895
  335   HG21  VAL  46          HG21      VAL  46   4.569  -0.725   5.446
  336   HG22  VAL  46          HG22      VAL  46   4.778  -1.446   3.852
  337   HG23  VAL  46          HG23      VAL  46   4.533  -2.477   5.263
  338    H    VAL  47           HN       VAL  47   1.084  -3.633   4.877
  339    HA   VAL  47           HA       VAL  47  -1.354  -2.947   3.803
  340    HB   VAL  47           HB       VAL  47  -0.763  -5.551   5.231
  341   HG11  VAL  47          HG11      VAL  47  -2.651  -4.931   2.964
  342   HG12  VAL  47          HG12      VAL  47  -3.103  -5.305   4.628
  343   HG13  VAL  47          HG13      VAL  47  -2.333  -6.535   3.627
  344   HG21  VAL  47          HG21      VAL  47   0.050  -6.368   3.071
  345   HG22  VAL  47          HG22      VAL  47   1.023  -5.024   3.673
  346   HG23  VAL  47          HG23      VAL  47  -0.156  -4.756   2.391
  347    H    VAL  48           HN       VAL  48  -0.898  -4.457   6.993
  348    HA   VAL  48           HA       VAL  48  -3.442  -4.343   8.019
  349    HB   VAL  48           HB       VAL  48  -0.854  -3.911   9.548
  350   HG11  VAL  48          HG11      VAL  48  -2.066  -4.749  11.509
  351   HG12  VAL  48          HG12      VAL  48  -3.554  -4.809  10.564
  352   HG13  VAL  48          HG13      VAL  48  -2.784  -3.257  10.897
  353   HG21  VAL  48          HG21      VAL  48  -0.862  -5.973   8.257
  354   HG22  VAL  48          HG22      VAL  48  -2.408  -6.433   8.969
  355   HG23  VAL  48          HG23      VAL  48  -0.968  -6.320   9.982
  356    H    ALA  49           HN       ALA  49  -1.022  -1.755   8.282
  357    HA   ALA  49           HA       ALA  49  -2.812  -0.055   9.749
  358    HB1  ALA  49           HB1      ALA  49  -1.053   1.600   9.673
  359    HB2  ALA  49           HB2      ALA  49  -0.160   0.633   8.496
  360    HB3  ALA  49           HB3      ALA  49  -0.399   0.030  10.140
  361    H    ALA  50           HN       ALA  50  -1.838  -0.381   6.398
  362    HA   ALA  50           HA       ALA  50  -3.082   1.973   5.462
  363    HB1  ALA  50           HB1      ALA  50  -3.005   0.904   3.251
  364    HB2  ALA  50           HB2      ALA  50  -2.602  -0.638   4.007
  365    HB3  ALA  50           HB3      ALA  50  -1.469   0.712   4.095
  366    H    GLU  51           HN       GLU  51  -4.167  -1.355   5.940
  367    HA   GLU  51           HA       GLU  51  -6.741  -1.171   4.998
  368    HB2  GLU  51           HB2      GLU  51  -5.797  -2.645   7.451
  369    HB3  GLU  51           HB1      GLU  51  -7.374  -2.850   6.723
  370    HG2  GLU  51           HG2      GLU  51  -6.280  -3.685   4.682
  371    HG3  GLU  51           HG1      GLU  51  -4.719  -3.551   5.512
  372    H    GLU  52           HN       GLU  52  -5.489  -0.498   8.193
  373    HA   GLU  52           HA       GLU  52  -7.770   0.356   9.477
  374    HB2  GLU  52           HB2      GLU  52  -5.665  -0.108  10.610
  375    HB3  GLU  52           HB1      GLU  52  -4.919   1.281   9.839
  376    HG2  GLU  52           HG2      GLU  52  -5.473   1.733  12.155
  377    HG3  GLU  52           HG1      GLU  52  -6.397   2.767  11.066
  378    H    ARG  53           HN       ARG  53  -5.400   2.223   7.669
  379    HA   ARG  53           HA       ARG  53  -6.430   4.791   8.012
  380    HB2  ARG  53           HB2      ARG  53  -4.186   4.338   7.180
  381    HB3  ARG  53           HB1      ARG  53  -4.850   3.655   5.708
  382    HG2  ARG  53           HG2      ARG  53  -4.012   5.869   5.277
  383    HG3  ARG  53           HG1      ARG  53  -5.768   5.867   5.124
  384    HD2  ARG  53           HD2      ARG  53  -5.999   6.878   7.300
  385    HD3  ARG  53           HD1      ARG  53  -4.261   6.751   7.584
  386    HE   ARG  53           HE       ARG  53  -5.478   8.452   5.511
  387   HH11  ARG  53          HH11      ARG  53  -3.045   7.896   8.037
  388   HH12  ARG  53          HH12      ARG  53  -2.215   9.354   7.758
  389   HH21  ARG  53          HH21      ARG  53  -4.332  10.479   5.139
  390   HH22  ARG  53          HH22      ARG  53  -2.930  10.836   6.058
  391    H    PHE  54           HN       PHE  54  -7.145   2.420   5.462
  392    HA   PHE  54           HA       PHE  54  -8.946   4.373   4.179
  393    HB2  PHE  54           HB2      PHE  54  -8.364   1.589   3.184
  394    HB3  PHE  54           HB1      PHE  54  -8.994   2.956   2.280
  395    HD1  PHE  54           HD1      PHE  54  -7.165   5.098   2.898
  396    HD2  PHE  54           HD2      PHE  54  -6.417   0.969   2.279
  397    HE1  PHE  54           HE1      PHE  54  -4.883   5.635   2.209
  398    HE2  PHE  54           HE2      PHE  54  -4.096   1.493   1.594
  399    HZ   PHE  54           HZ       PHE  54  -3.333   3.832   1.566
  400    H    ASP  55           HN       ASP  55  -9.170   2.090   6.526
  401    HA   ASP  55           HA       ASP  55 -10.743   0.784   7.462
  402    HB2  ASP  55           HB2      ASP  55 -12.713   2.342   5.730
  403    HB3  ASP  55           HB1      ASP  55 -13.175   1.230   7.003
  404    H    VAL  56           HN       VAL  56  -9.360   0.030   5.117
  405    HA   VAL  56           HA       VAL  56 -11.312  -1.499   3.583
  406    HB   VAL  56           HB       VAL  56  -9.469  -0.126   2.413
  407   HG11  VAL  56          HG11      VAL  56  -7.520  -0.726   3.647
  408   HG12  VAL  56          HG12      VAL  56  -7.338  -1.278   1.969
  409   HG13  VAL  56          HG13      VAL  56  -7.737  -2.427   3.223
  410   HG21  VAL  56          HG21      VAL  56 -10.837  -1.663   1.167
  411   HG22  VAL  56          HG22      VAL  56  -9.799  -3.011   1.632
  412   HG23  VAL  56          HG23      VAL  56  -9.173  -1.735   0.585
  413    H    LYS  57           HN       LYS  57 -10.356  -3.723   2.883
  414    HA   LYS  57           HA       LYS  57  -9.183  -5.118   5.158
  415    HB2  LYS  57           HB2      LYS  57 -11.840  -5.913   3.898
  416    HB3  LYS  57           HB1      LYS  57 -10.880  -7.002   4.872
  417    HG2  LYS  57           HG2      LYS  57 -12.556  -6.220   6.323
  418    HG3  LYS  57           HG1      LYS  57 -11.130  -5.294   6.756
  419    HD2  LYS  57           HD2      LYS  57 -12.016  -3.428   5.322
  420    HD3  LYS  57           HD1      LYS  57 -13.498  -4.367   5.120
  421    HE2  LYS  57           HE2      LYS  57 -13.826  -4.363   7.551
  422    HE3  LYS  57           HE1      LYS  57 -12.342  -3.435   7.748
  423    HZ1  LYS  57           HZ1      LYS  57 -13.473  -1.666   6.331
  424    HZ2  LYS  57           HZ2      LYS  57 -14.058  -1.900   7.870
  425    HZ3  LYS  57           HZ3      LYS  57 -14.929  -2.514   6.585
  426    H    ILE  58           HN       ILE  58  -7.426  -5.975   4.290
  427    HA   ILE  58           HA       ILE  58  -7.683  -7.549   1.846
  428    HB   ILE  58           HB       ILE  58  -5.381  -5.566   2.098
  429   HG12  ILE  58          HG12      ILE  58  -7.843  -5.245   0.346
  430   HG13  ILE  58          HG11      ILE  58  -7.535  -4.315   1.804
  431   HG21  ILE  58          HG21      ILE  58  -5.042  -6.115  -0.264
  432   HG22  ILE  58          HG22      ILE  58  -6.460  -7.153  -0.224
  433   HG23  ILE  58          HG23      ILE  58  -5.028  -7.586   0.720
  434   HD11  ILE  58          HD11      ILE  58  -6.980  -3.051  -0.190
  435   HD12  ILE  58          HD12      ILE  58  -5.840  -4.306  -0.683
  436   HD13  ILE  58          HD13      ILE  58  -5.542  -3.364   0.781
  437    HA   PRO  59           HA       PRO  59  -5.178  -9.908   4.834
  438    HB2  PRO  59           HB2      PRO  59  -5.392 -12.269   3.451
  439    HB3  PRO  59           HB1      PRO  59  -6.614 -11.683   4.584
  440    HG2  PRO  59           HG2      PRO  59  -6.574 -11.549   1.604
  441    HG3  PRO  59           HG1      PRO  59  -7.927 -11.889   2.696
  442    HD2  PRO  59           HD2      PRO  59  -7.559  -9.476   1.527
  443    HD3  PRO  59           HD1      PRO  59  -8.309  -9.665   3.125
  444    H    ASP  60           HN       ASP  60  -3.139 -11.151   4.634
  445    HA   ASP  60           HA       ASP  60  -1.349  -9.800   2.912
  446    HB2  ASP  60           HB2      ASP  60   0.442 -11.282   3.667
  447    HB3  ASP  60           HB1      ASP  60  -0.427 -10.535   5.000
  448    H    ASP  61           HN       ASP  61  -2.870 -12.883   2.584
  449    HA   ASP  61           HA       ASP  61  -1.220 -13.685   0.396
  450    HB2  ASP  61           HB2      ASP  61  -2.358 -15.405   1.662
  451    HB3  ASP  61           HB1      ASP  61  -3.926 -14.692   1.303
  452    H    ASP  62           HN       ASP  62  -3.913 -11.621   0.726
  453    HA   ASP  62           HA       ASP  62  -4.644 -11.764  -2.088
  454    HB2  ASP  62           HB2      ASP  62  -6.278 -11.308  -0.062
  455    HB3  ASP  62           HB1      ASP  62  -5.600  -9.679  -0.209
  456    H    VAL  63           HN       VAL  63  -2.939  -9.605   0.172
  457    HA   VAL  63           HA       VAL  63  -2.864  -7.443  -1.606
  458    HB   VAL  63           HB       VAL  63  -2.694  -7.039   0.781
  459   HG11  VAL  63          HG11      VAL  63  -0.070  -8.465   0.669
  460   HG12  VAL  63          HG12      VAL  63  -1.563  -9.056   1.386
  461   HG13  VAL  63          HG13      VAL  63  -0.751  -7.643   2.079
  462   HG21  VAL  63          HG21      VAL  63  -1.629  -5.371  -0.653
  463   HG22  VAL  63          HG22      VAL  63  -0.113  -6.275  -0.570
  464   HG23  VAL  63          HG23      VAL  63  -0.772  -5.531   0.885
  465    H    LYS  64           HN       LYS  64  -1.010 -10.278  -1.466
  466    HA   LYS  64           HA       LYS  64   1.449  -9.412  -2.358
  467    HB2  LYS  64           HB2      LYS  64   1.968 -11.660  -2.999
  468    HB3  LYS  64           HB1      LYS  64   1.035 -11.678  -1.520
  469    HG2  LYS  64           HG2      LYS  64  -0.929 -12.422  -2.731
  470    HG3  LYS  64           HG1      LYS  64  -0.063 -12.278  -4.266
  471    HD2  LYS  64           HD2      LYS  64   1.593 -13.939  -3.418
  472    HD3  LYS  64           HD1      LYS  64   0.595 -14.142  -1.984
  473    HE2  LYS  64           HE2      LYS  64  -0.322 -14.674  -4.811
  474    HE3  LYS  64           HE1      LYS  64   0.273 -15.905  -3.705
  475    HZ1  LYS  64           HZ1      LYS  64  -2.150 -15.800  -3.780
  476    HZ2  LYS  64           HZ2      LYS  64  -2.134 -14.217  -3.208
  477    HZ3  LYS  64           HZ3      LYS  64  -1.579 -15.473  -2.242
  478    H    ASN  65           HN       ASN  65  -1.354  -9.067  -4.068
  479    HA   ASN  65           HA       ASN  65  -0.305  -9.702  -6.712
  480    HB2  ASN  65           HB2      ASN  65  -3.048  -8.817  -5.812
  481    HB3  ASN  65           HB1      ASN  65  -2.601  -9.140  -7.481
  482   HD21  ASN  65          HD21      ASN  65  -3.341 -10.513  -4.393
  483   HD22  ASN  65          HD22      ASN  65  -3.399 -12.156  -4.918
  484    H    LEU  66           HN       LEU  66  -0.092  -7.175  -4.659
  485    HA   LEU  66           HA       LEU  66  -0.705  -5.085  -6.540
  486    HB2  LEU  66           HB2      LEU  66   0.767  -4.843  -3.919
  487    HB3  LEU  66           HB1      LEU  66   0.031  -3.545  -4.837
  488    HG   LEU  66           HG       LEU  66  -1.347  -5.722  -3.294
  489   HD11  LEU  66          HD11      LEU  66  -0.555  -3.900  -1.975
  490   HD12  LEU  66          HD12      LEU  66  -2.313  -3.925  -2.056
  491   HD13  LEU  66          HD13      LEU  66  -1.406  -2.740  -3.006
  492   HD21  LEU  66          HD21      LEU  66  -3.448  -4.806  -3.992
  493   HD22  LEU  66          HD22      LEU  66  -2.541  -5.394  -5.379
  494   HD23  LEU  66          HD23      LEU  66  -2.639  -3.652  -5.058
  495    H    LYS  67           HN       LYS  67   1.044  -3.363  -6.872
  496    HA   LYS  67           HA       LYS  67   3.707  -4.430  -7.116
  497    HB2  LYS  67           HB2      LYS  67   2.708  -4.980  -9.245
  498    HB3  LYS  67           HB1      LYS  67   2.018  -3.370  -9.387
  499    HG2  LYS  67           HG2      LYS  67   4.406  -2.531  -9.346
  500    HG3  LYS  67           HG1      LYS  67   4.874  -4.217  -9.621
  501    HD2  LYS  67           HD2      LYS  67   3.444  -4.249 -11.624
  502    HD3  LYS  67           HD1      LYS  67   3.035  -2.553 -11.265
  503    HE2  LYS  67           HE2      LYS  67   5.219  -1.842 -11.586
  504    HE3  LYS  67           HE1      LYS  67   5.837  -3.496 -11.668
  505    HZ1  LYS  67           HZ1      LYS  67   3.954  -2.314 -13.641
  506    HZ2  LYS  67           HZ2      LYS  67   4.723  -3.830 -13.731
  507    HZ3  LYS  67           HZ3      LYS  67   5.629  -2.405 -13.874
  508    H    THR  68           HN       THR  68   1.892  -1.704  -8.484
  509    HA   THR  68           HA       THR  68   3.645   0.083  -6.971
  510    HB   THR  68           HB       THR  68   2.985   1.818  -8.590
  511    HG1  THR  68           HG1      THR  68   1.474  -0.287  -9.821
  512   HG21  THR  68          HG21      THR  68   4.052   0.918 -10.615
  513   HG22  THR  68          HG22      THR  68   3.869  -0.719  -9.983
  514   HG23  THR  68          HG23      THR  68   4.929   0.431  -9.166
  515    H    VAL  69           HN       VAL  69   2.245   2.280  -6.688
  516    HA   VAL  69           HA       VAL  69  -0.040   1.348  -5.289
  517    HB   VAL  69           HB       VAL  69  -0.423   3.564  -4.418
  518   HG11  VAL  69          HG11      VAL  69   1.651   3.924  -3.218
  519   HG12  VAL  69          HG12      VAL  69   2.480   2.849  -4.346
  520   HG13  VAL  69          HG13      VAL  69   1.203   2.220  -3.294
  521   HG21  VAL  69          HG21      VAL  69   0.913   5.436  -4.983
  522   HG22  VAL  69          HG22      VAL  69   0.176   4.746  -6.447
  523   HG23  VAL  69          HG23      VAL  69   1.869   4.452  -6.085
  524    H    GLY  70           HN       GLY  70   0.554   2.251  -8.431
  525    HA2  GLY  70           HA2      GLY  70  -1.956   3.457  -9.025
  526    HA3  GLY  70           HA1      GLY  70  -0.873   2.661 -10.175
  527    H    ASP  71           HN       ASP  71  -0.621   0.271  -8.882
  528    HA   ASP  71           HA       ASP  71  -2.926  -1.229  -9.607
  529    HB2  ASP  71           HB2      ASP  71  -0.630  -1.976  -7.763
  530    HB3  ASP  71           HB1      ASP  71  -1.785  -3.117  -8.418
  531    H    ALA  72           HN       ALA  72  -1.418  -0.389  -6.540
  532    HA   ALA  72           HA       ALA  72  -3.211  -1.496  -4.784
  533    HB1  ALA  72           HB1      ALA  72  -2.303  -0.064  -3.080
  534    HB2  ALA  72           HB2      ALA  72  -1.671   1.041  -4.294
  535    HB3  ALA  72           HB3      ALA  72  -1.007  -0.589  -4.155
  536    H    THR  73           HN       THR  73  -3.330   1.835  -6.066
  537    HA   THR  73           HA       THR  73  -5.428   2.801  -4.583
  538    HB   THR  73           HB       THR  73  -4.848   3.378  -7.514
  539    HG1  THR  73           HG1      THR  73  -3.068   3.822  -6.143
  540   HG21  THR  73          HG21      THR  73  -7.070   4.198  -6.828
  541   HG22  THR  73          HG22      THR  73  -5.941   5.530  -7.098
  542   HG23  THR  73          HG23      THR  73  -6.326   5.027  -5.455
  543    H    LYS  74           HN       LYS  74  -5.792   1.359  -7.848
  544    HA   LYS  74           HA       LYS  74  -8.614   1.315  -7.809
  545    HB2  LYS  74           HB2      LYS  74  -6.596  -0.189  -9.450
  546    HB3  LYS  74           HB1      LYS  74  -8.313  -0.478  -9.626
  547    HG2  LYS  74           HG2      LYS  74  -7.562   0.980 -11.353
  548    HG3  LYS  74           HG1      LYS  74  -8.611   1.869 -10.260
  549    HD2  LYS  74           HD2      LYS  74  -6.735   3.007  -9.284
  550    HD3  LYS  74           HD1      LYS  74  -5.596   1.964 -10.144
  551    HE2  LYS  74           HE2      LYS  74  -7.543   3.849 -11.474
  552    HE3  LYS  74           HE1      LYS  74  -5.844   4.216 -11.174
  553    HZ1  LYS  74           HZ1      LYS  74  -6.795   1.920 -12.833
  554    HZ2  LYS  74           HZ2      LYS  74  -5.200   2.423 -12.611
  555    HZ3  LYS  74           HZ3      LYS  74  -6.263   3.393 -13.460
  556    H    TYR  75           HN       TYR  75  -6.231  -0.949  -6.745
  557    HA   TYR  75           HA       TYR  75  -7.908  -3.220  -6.591
  558    HB2  TYR  75           HB2      TYR  75  -5.428  -3.218  -6.802
  559    HB3  TYR  75           HB1      TYR  75  -5.331  -2.652  -5.144
  560    HD1  TYR  75           HD2      TYR  75  -6.003  -4.174  -3.286
  561    HD2  TYR  75           HD1      TYR  75  -5.828  -5.442  -7.332
  562    HE1  TYR  75           HE2      TYR  75  -5.960  -6.474  -2.531
  563    HE2  TYR  75           HE1      TYR  75  -5.770  -7.769  -6.618
  564    HH   TYR  75           HH       TYR  75  -6.341  -8.695  -3.370
  565    H    ILE  76           HN       ILE  76  -6.635  -0.896  -4.268
  566    HA   ILE  76           HA       ILE  76  -7.890  -2.004  -2.018
  567    HB   ILE  76           HB       ILE  76  -6.699   0.739  -2.513
  568   HG12  ILE  76          HG12      ILE  76  -5.695  -1.621  -0.905
  569   HG13  ILE  76          HG11      ILE  76  -5.147  -1.187  -2.518
  570   HG21  ILE  76          HG21      ILE  76  -7.664  -0.425   0.092
  571   HG22  ILE  76          HG22      ILE  76  -8.426   0.870  -0.832
  572   HG23  ILE  76          HG23      ILE  76  -6.826   1.124  -0.116
  573   HD11  ILE  76          HD11      ILE  76  -3.574  -0.472  -0.806
  574   HD12  ILE  76          HD12      ILE  76  -4.842   0.491  -0.042
  575   HD13  ILE  76          HD13      ILE  76  -4.266   0.910  -1.656
  576    H    LEU  77           HN       LEU  77  -8.773   0.603  -4.284
  577    HA   LEU  77           HA       LEU  77 -11.080   1.358  -2.987
  578    HB2  LEU  77           HB2      LEU  77 -10.453   1.382  -5.934
  579    HB3  LEU  77           HB1      LEU  77 -11.919   2.082  -5.281
  580    HG   LEU  77           HG       LEU  77  -9.108   2.967  -4.635
  581   HD11  LEU  77          HD11      LEU  77  -9.702   4.981  -5.878
  582   HD12  LEU  77          HD12      LEU  77 -11.264   4.272  -6.287
  583   HD13  LEU  77          HD13      LEU  77  -9.777   3.547  -6.902
  584   HD21  LEU  77          HD21      LEU  77 -11.775   4.093  -3.799
  585   HD22  LEU  77          HD22      LEU  77 -10.202   4.819  -3.471
  586   HD23  LEU  77          HD23      LEU  77 -10.624   3.263  -2.753
  587    H    ASP  78           HN       ASP  78 -10.519  -1.148  -5.355
  588    HA   ASP  78           HA       ASP  78 -13.109  -2.143  -5.701
  589    HB2  ASP  78           HB2      ASP  78 -11.300  -2.750  -7.185
  590    HB3  ASP  78           HB1      ASP  78 -10.415  -3.499  -5.868
  591    H    HIS  79           HN       HIS  79 -10.765  -2.698  -3.194
  592    HA   HIS  79           HA       HIS  79 -12.375  -4.760  -1.917
  593    HB2  HIS  79           HB2      HIS  79  -9.649  -3.730  -1.518
  594    HB3  HIS  79           HB1      HIS  79 -10.487  -4.243  -0.062
  595    HD1  HIS  79           HD1      HIS  79 -11.222  -6.748   0.045
  596    HD2  HIS  79           HD2      HIS  79  -8.741  -5.775  -3.142
  597    HE1  HIS  79           HE1      HIS  79 -10.316  -8.923  -0.795
  598    HE2  HIS  79           HE2      HIS  79  -8.497  -8.220  -2.314
  599    H    GLN  80           HN       GLN  80 -12.578  -1.484  -1.989
  600    HA   GLN  80           HA       GLN  80 -13.119  -1.142   0.837
  601    HB2  GLN  80           HB2      GLN  80 -12.756   0.739  -1.430
  602    HB3  GLN  80           HB1      GLN  80 -13.635   1.268  -0.007
  603    HG2  GLN  80           HG2      GLN  80 -11.735   0.786   1.383
  604    HG3  GLN  80           HG1      GLN  80 -10.865   0.168  -0.025
  605   HE21  GLN  80          HE21      GLN  80  -9.332   1.675   0.367
  606   HE22  GLN  80          HE22      GLN  80  -9.498   3.338  -0.127
  607    H    ALA  81           HN       ALA  81 -14.918  -0.123   1.584
  608    HA   ALA  81           HA       ALA  81 -17.304  -0.158  -0.055
  609    HB1  ALA  81           HB1      ALA  81 -17.372  -2.203   1.304
  610    HB2  ALA  81           HB2      ALA  81 -18.547  -1.037   1.913
  611    HB3  ALA  81           HB3      ALA  81 -17.013  -1.267   2.754
  612    H2   SOO 101           H2A      SOO 101   4.698  -4.949  -1.508
  613    H3   SOO 101           H3A      SOO 101   1.740  -4.993  -0.593
  614    H4   SOO 101           H4A      SOO 101   4.114  -3.564   0.530
  615    H4A  SOO 101           H4B      SOO 101   3.377  -2.630  -0.770
  616    H5   SOO 101           H5A      SOO 101   2.531  -1.973   1.443
  617    H5A  SOO 101           H5B      SOO 101   1.958  -3.617   1.704
  618    H6   SOO 101           H6A      SOO 101   0.438  -3.413  -0.187
  619    H6A  SOO 101           H6B      SOO 101   1.017  -1.771  -0.484
  620    H7   SOO 101           H7A      SOO 101   0.202  -1.079   1.723
  621    H7A  SOO 101           H7B      SOO 101  -0.371  -2.729   2.026
  622    H8   SOO 101           H8C      SOO 101  -2.182  -1.267   1.272
  623    H8A  SOO 101           H8A      SOO 101  -1.864  -2.545   0.099
  624    H8B  SOO 101           H8B      SOO 101  -1.280  -0.907  -0.199
  625    H28  SOO 101          H28A      SOO 101   9.849 -10.690   2.541
  626   H28A  SOO 101          H28B      SOO 101   9.740  -9.214   1.582
  627    H30  SOO 101          H30A      SOO 101   9.329 -10.916  -1.648
  628   H30A  SOO 101          H30B      SOO 101  10.927 -10.804  -0.899
  629   H30B  SOO 101          H30C      SOO 101   9.847  -9.423  -0.836
  630    H31  SOO 101          H31A      SOO 101  10.605 -12.728   0.571
  631   H31A  SOO 101          H31B      SOO 101   9.015 -13.025  -0.134
  632   H31B  SOO 101          H31C      SOO 101   9.183 -12.828   1.611
  633    H32  SOO 101          H32A      SOO 101   7.693  -9.595   0.431
  634   HO33  SOO 101          H33A      SOO 101   7.567 -12.005  -0.881
  635   HN36  SOO 101          H36A      SOO 101   5.657 -11.174   0.680
  636    H37  SOO 101          H37A      SOO 101   5.163 -12.207   3.393
  637   H37A  SOO 101          H37B      SOO 101   4.473 -10.656   3.014
  638    H38  SOO 101          H38A      SOO 101   3.717 -13.240   1.736
  639   H38A  SOO 101          H38B      SOO 101   2.696 -11.927   2.455
  640   HN41  SOO 101          H41A      SOO 101   3.988  -9.928   1.050
  641    H42  SOO 101          H42A      SOO 101   3.624 -10.370  -1.838
  642   H42A  SOO 101          H42B      SOO 101   2.671  -9.109  -1.052
  643    H43  SOO 101          H43A      SOO 101   5.692  -9.232  -1.203
  644   H43A  SOO 101          H43B      SOO 101   4.752  -8.063  -0.278
  Start of MODEL    8
    1    H1   ALA   1           HT1      ALA   1 -15.034   6.275   3.004
    2    H2   ALA   1           HT2      ALA   1 -16.419   5.697   2.190
    3    H3   ALA   1           HT3      ALA   1 -15.695   7.166   1.749
    4    HA   ALA   1           HA       ALA   1 -14.312   4.600   1.534
    5    HB1  ALA   1           HB1      ALA   1 -16.197   4.684  -0.030
    6    HB2  ALA   1           HB2      ALA   1 -14.660   4.834  -0.883
    7    HB3  ALA   1           HB3      ALA   1 -15.655   6.262  -0.604
    8    H    ALA   2           HN       ALA   2 -12.596   5.108  -0.289
    9    HA   ALA   2           HA       ALA   2 -11.347   7.660   0.461
   10    HB1  ALA   2           HB1      ALA   2 -10.128   5.720   1.350
   11    HB2  ALA   2           HB2      ALA   2  -9.178   6.577   0.139
   12    HB3  ALA   2           HB3      ALA   2  -9.980   5.064  -0.279
   13    H    THR   3           HN       THR   3  -9.532   8.101  -1.318
   14    HA   THR   3           HA       THR   3 -10.587   7.590  -3.987
   15    HB   THR   3           HB       THR   3  -9.764   9.911  -4.550
   16    HG1  THR   3           HG1      THR   3  -9.736  11.284  -2.519
   17   HG21  THR   3          HG21      THR   3 -11.977   9.789  -2.483
   18   HG22  THR   3          HG22      THR   3 -12.172   9.501  -4.209
   19   HG23  THR   3          HG23      THR   3 -11.718  11.107  -3.627
   20    H    GLN   4           HN       GLN   4  -8.486   8.746  -5.428
   21    HA   GLN   4           HA       GLN   4  -6.349   7.016  -4.860
   22    HB2  GLN   4           HB2      GLN   4  -6.974   7.501  -7.136
   23    HB3  GLN   4           HB1      GLN   4  -6.825   9.221  -6.874
   24    HG2  GLN   4           HG2      GLN   4  -4.386   7.581  -6.496
   25    HG3  GLN   4           HG1      GLN   4  -4.999   7.738  -8.139
   26   HE21  GLN   4          HE21      GLN   4  -3.541   9.410  -5.447
   27   HE22  GLN   4          HE22      GLN   4  -3.169  10.845  -6.340
   28    H    GLU   5           HN       GLU   5  -7.089  10.427  -4.424
   29    HA   GLU   5           HA       GLU   5  -4.558  11.259  -3.570
   30    HB2  GLU   5           HB2      GLU   5  -7.156  12.363  -2.492
   31    HB3  GLU   5           HB1      GLU   5  -5.614  13.183  -2.616
   32    HG2  GLU   5           HG2      GLU   5  -6.777  14.137  -4.335
   33    HG3  GLU   5           HG1      GLU   5  -5.966  12.817  -5.180
   34    H    GLU   6           HN       GLU   6  -7.304   9.931  -1.810
   35    HA   GLU   6           HA       GLU   6  -6.135  10.221   0.756
   36    HB2  GLU   6           HB2      GLU   6  -8.272   8.267  -0.099
   37    HB3  GLU   6           HB1      GLU   6  -7.838   8.645   1.560
   38    HG2  GLU   6           HG2      GLU   6  -9.092  10.474  -0.470
   39    HG3  GLU   6           HG1      GLU   6  -9.837   9.817   0.986
   40    H    ILE   7           HN       ILE   7  -6.283   7.448  -1.440
   41    HA   ILE   7           HA       ILE   7  -4.997   5.664   0.295
   42    HB   ILE   7           HB       ILE   7  -5.257   5.635  -2.720
   43   HG12  ILE   7          HG12      ILE   7  -6.662   4.101  -0.531
   44   HG13  ILE   7          HG11      ILE   7  -7.329   5.468  -1.416
   45   HG21  ILE   7          HG21      ILE   7  -3.277   4.316  -2.083
   46   HG22  ILE   7          HG22      ILE   7  -4.583   3.267  -2.634
   47   HG23  ILE   7          HG23      ILE   7  -4.248   3.423  -0.909
   48   HD11  ILE   7          HD11      ILE   7  -6.555   2.813  -2.576
   49   HD12  ILE   7          HD12      ILE   7  -7.228   4.176  -3.470
   50   HD13  ILE   7          HD13      ILE   7  -8.193   3.366  -2.234
   51    H    VAL   8           HN       VAL   8  -3.660   7.277  -2.552
   52    HA   VAL   8           HA       VAL   8  -1.043   6.397  -2.276
   53    HB   VAL   8           HB       VAL   8  -2.133   8.921  -3.544
   54   HG11  VAL   8          HG11      VAL   8   0.559   7.613  -3.929
   55   HG12  VAL   8          HG12      VAL   8   0.261   9.168  -3.137
   56   HG13  VAL   8          HG13      VAL   8  -0.088   8.969  -4.855
   57   HG21  VAL   8          HG21      VAL   8  -3.038   6.854  -4.433
   58   HG22  VAL   8          HG22      VAL   8  -1.407   6.232  -4.679
   59   HG23  VAL   8          HG23      VAL   8  -1.969   7.627  -5.603
   60    H    ALA   9           HN       ALA   9  -2.324   9.575  -1.251
   61    HA   ALA   9           HA       ALA   9   0.084  10.436  -0.067
   62    HB1  ALA   9           HB1      ALA   9  -1.671  11.979  -0.752
   63    HB2  ALA   9           HB2      ALA   9  -1.254  12.211   0.950
   64    HB3  ALA   9           HB3      ALA   9  -2.728  11.339   0.503
   65    H    GLY  10           HN       GLY  10  -2.659   8.652   1.254
   66    HA2  GLY  10           HA2      GLY  10  -1.832   8.951   3.976
   67    HA3  GLY  10           HA1      GLY  10  -3.084   7.875   3.370
   68    H    LEU  11           HN       LEU  11  -1.507   6.541   1.477
   69    HA   LEU  11           HA       LEU  11  -0.499   4.367   2.835
   70    HB2  LEU  11           HB2      LEU  11  -0.957   5.113   0.232
   71    HB3  LEU  11           HB1      LEU  11   0.789   4.996   0.277
   72    HG   LEU  11           HG       LEU  11  -1.130   2.814   1.044
   73   HD11  LEU  11          HD11      LEU  11  -1.252   3.322  -1.331
   74   HD12  LEU  11          HD12      LEU  11  -0.480   1.759  -1.065
   75   HD13  LEU  11          HD13      LEU  11   0.501   3.169  -1.470
   76   HD21  LEU  11          HD21      LEU  11   1.009   2.607   2.186
   77   HD22  LEU  11          HD22      LEU  11   1.862   2.761   0.650
   78   HD23  LEU  11          HD23      LEU  11   0.851   1.351   0.958
   79    H    ALA  12           HN       ALA  12   1.111   7.125   1.392
   80    HA   ALA  12           HA       ALA  12   3.740   6.437   1.937
   81    HB1  ALA  12           HB1      ALA  12   3.063   8.143   0.359
   82    HB2  ALA  12           HB2      ALA  12   4.256   8.728   1.523
   83    HB3  ALA  12           HB3      ALA  12   2.554   9.177   1.701
   84    H    GLU  13           HN       GLU  13   1.348   8.011   3.991
   85    HA   GLU  13           HA       GLU  13   3.190   8.865   5.953
   86    HB2  GLU  13           HB2      GLU  13   0.227   8.302   6.179
   87    HB3  GLU  13           HB1      GLU  13   1.193   8.968   7.486
   88    HG2  GLU  13           HG2      GLU  13   1.757  10.891   6.041
   89    HG3  GLU  13           HG1      GLU  13   0.687  10.237   4.804
   90    H    ILE  14           HN       ILE  14   1.193   5.957   5.692
   91    HA   ILE  14           HA       ILE  14   2.215   4.781   8.077
   92    HB   ILE  14           HB       ILE  14   0.754   3.515   5.715
   93   HG12  ILE  14          HG12      ILE  14  -1.042   3.098   7.444
   94   HG13  ILE  14          HG11      ILE  14  -0.102   4.054   8.574
   95   HG21  ILE  14          HG21      ILE  14   2.228   1.819   6.600
   96   HG22  ILE  14          HG22      ILE  14   0.554   1.444   7.015
   97   HG23  ILE  14          HG23      ILE  14   1.634   2.120   8.231
   98   HD11  ILE  14          HD11      ILE  14  -1.348   5.022   6.011
   99   HD12  ILE  14          HD12      ILE  14  -0.392   6.004   7.119
  100   HD13  ILE  14          HD13      ILE  14  -1.933   5.328   7.647
  101    H    VAL  15           HN       VAL  15   3.114   4.577   4.698
  102    HA   VAL  15           HA       VAL  15   5.137   2.682   4.828
  103    HB   VAL  15           HB       VAL  15   4.766   5.084   3.026
  104   HG11  VAL  15          HG11      VAL  15   6.966   3.008   2.853
  105   HG12  VAL  15          HG12      VAL  15   7.175   4.726   3.211
  106   HG13  VAL  15          HG13      VAL  15   6.594   4.224   1.626
  107   HG21  VAL  15          HG21      VAL  15   3.252   3.203   2.729
  108   HG22  VAL  15          HG22      VAL  15   4.628   2.110   2.561
  109   HG23  VAL  15          HG23      VAL  15   4.338   3.358   1.349
  110    H    ASN  16           HN       ASN  16   5.280   6.145   5.420
  111    HA   ASN  16           HA       ASN  16   8.047   6.371   5.730
  112    HB2  ASN  16           HB2      ASN  16   6.163   8.182   5.581
  113    HB3  ASN  16           HB1      ASN  16   6.170   8.047   7.336
  114   HD21  ASN  16          HD21      ASN  16   8.701   7.998   4.886
  115   HD22  ASN  16          HD22      ASN  16   9.687   9.208   5.583
  116    H    GLU  17           HN       GLU  17   5.556   5.450   7.973
  117    HA   GLU  17           HA       GLU  17   7.058   5.597  10.386
  118    HB2  GLU  17           HB2      GLU  17   4.738   3.783   9.727
  119    HB3  GLU  17           HB1      GLU  17   5.277   4.267  11.325
  120    HG2  GLU  17           HG2      GLU  17   4.233   6.153   9.259
  121    HG3  GLU  17           HG1      GLU  17   3.224   5.398  10.491
  122    H    ILE  18           HN       ILE  18   6.093   2.927   8.317
  123    HA   ILE  18           HA       ILE  18   7.570   0.980   9.840
  124    HB   ILE  18           HB       ILE  18   5.867   0.725   7.359
  125   HG12  ILE  18          HG12      ILE  18   5.355   0.148  10.289
  126   HG13  ILE  18          HG11      ILE  18   4.733   1.523   9.395
  127   HG21  ILE  18          HG21      ILE  18   7.004  -1.419   9.172
  128   HG22  ILE  18          HG22      ILE  18   7.506  -1.114   7.509
  129   HG23  ILE  18          HG23      ILE  18   5.872  -1.685   7.846
  130   HD11  ILE  18          HD11      ILE  18   3.427   0.007   8.002
  131   HD12  ILE  18          HD12      ILE  18   3.049  -0.182   9.715
  132   HD13  ILE  18          HD13      ILE  18   4.074  -1.363   8.901
  133    H    ALA  19           HN       ALA  19   7.759   2.143   6.468
  134    HA   ALA  19           HA       ALA  19  10.232   0.609   6.117
  135    HB1  ALA  19           HB1      ALA  19   8.608   2.128   4.080
  136    HB2  ALA  19           HB2      ALA  19   8.497   0.398   4.399
  137    HB3  ALA  19           HB3      ALA  19   9.985   1.080   3.739
  138    H    GLY  20           HN       GLY  20   9.074   3.888   6.303
  139    HA2  GLY  20           HA2      GLY  20  10.398   5.718   6.949
  140    HA3  GLY  20           HA1      GLY  20  11.837   4.795   6.538
  141    H    ILE  21           HN       ILE  21   9.709   4.463   4.076
  142    HA   ILE  21           HA       ILE  21  11.208   6.118   2.302
  143    HB   ILE  21           HB       ILE  21   8.561   4.685   1.882
  144   HG12  ILE  21          HG12      ILE  21  10.285   3.092   2.434
  145   HG13  ILE  21          HG11      ILE  21   9.924   2.966   0.717
  146   HG21  ILE  21          HG21      ILE  21  10.413   5.829  -0.198
  147   HG22  ILE  21          HG22      ILE  21   8.806   6.420   0.221
  148   HG23  ILE  21          HG23      ILE  21   8.994   4.830  -0.522
  149   HD11  ILE  21          HD11      ILE  21  12.309   2.801   1.145
  150   HD12  ILE  21          HD12      ILE  21  12.293   4.382   1.922
  151   HD13  ILE  21          HD13      ILE  21  11.939   4.241   0.200
  152    HA   PRO  22           HA       PRO  22   9.506  10.134   3.112
  153    HB2  PRO  22           HB2      PRO  22   9.546  10.261   0.126
  154    HB3  PRO  22           HB1      PRO  22  10.111  11.447   1.312
  155    HG2  PRO  22           HG2      PRO  22  11.837   9.862   0.052
  156    HG3  PRO  22           HG1      PRO  22  12.054  10.290   1.757
  157    HD2  PRO  22           HD2      PRO  22  11.226   7.718   0.547
  158    HD3  PRO  22           HD1      PRO  22  12.043   8.030   2.087
  159    H    VAL  23           HN       VAL  23   7.597  11.228   3.086
  160    HA   VAL  23           HA       VAL  23   5.263   9.644   2.558
  161    HB   VAL  23           HB       VAL  23   4.010  11.564   3.541
  162   HG11  VAL  23          HG11      VAL  23   6.360  10.588   5.147
  163   HG12  VAL  23          HG12      VAL  23   4.812   9.765   4.960
  164   HG13  VAL  23          HG13      VAL  23   4.891  11.310   5.802
  165   HG21  VAL  23          HG21      VAL  23   6.765  12.700   3.815
  166   HG22  VAL  23          HG22      VAL  23   5.308  13.402   4.547
  167   HG23  VAL  23          HG23      VAL  23   5.488  13.319   2.781
  168    H    GLU  24           HN       GLU  24   6.879  11.077   0.386
  169    HA   GLU  24           HA       GLU  24   4.520  11.922  -1.165
  170    HB2  GLU  24           HB2      GLU  24   5.875  13.715  -2.147
  171    HB3  GLU  24           HB1      GLU  24   5.720  13.925  -0.408
  172    HG2  GLU  24           HG2      GLU  24   7.946  12.891  -0.120
  173    HG3  GLU  24           HG1      GLU  24   8.100  12.811  -1.873
  174    H    ASP  25           HN       ASP  25   6.834   9.711  -0.768
  175    HA   ASP  25           HA       ASP  25   7.770   9.748  -3.528
  176    HB2  ASP  25           HB2      ASP  25   9.455   9.836  -1.787
  177    HB3  ASP  25           HB1      ASP  25   8.892   8.322  -1.112
  178    H    VAL  26           HN       VAL  26   5.392   8.386  -1.769
  179    HA   VAL  26           HA       VAL  26   5.597   5.787  -3.034
  180    HB   VAL  26           HB       VAL  26   3.595   6.801  -0.961
  181   HG11  VAL  26          HG11      VAL  26   4.210   3.991  -1.860
  182   HG12  VAL  26          HG12      VAL  26   2.754   4.908  -2.256
  183   HG13  VAL  26          HG13      VAL  26   3.079   4.442  -0.584
  184   HG21  VAL  26          HG21      VAL  26   5.835   6.803  -0.037
  185   HG22  VAL  26          HG22      VAL  26   6.073   5.136  -0.559
  186   HG23  VAL  26          HG23      VAL  26   4.874   5.509   0.681
  187    H    LYS  27           HN       LYS  27   5.429   7.138  -4.908
  188    HA   LYS  27           HA       LYS  27   2.912   8.414  -5.576
  189    HB2  LYS  27           HB2      LYS  27   5.371   7.940  -7.288
  190    HB3  LYS  27           HB1      LYS  27   3.993   8.966  -7.657
  191    HG2  LYS  27           HG2      LYS  27   4.576  10.487  -5.879
  192    HG3  LYS  27           HG1      LYS  27   5.910   9.439  -5.385
  193    HD2  LYS  27           HD2      LYS  27   7.039   9.787  -7.491
  194    HD3  LYS  27           HD1      LYS  27   5.665  10.691  -8.122
  195    HE2  LYS  27           HE2      LYS  27   7.481  12.190  -7.471
  196    HE3  LYS  27           HE1      LYS  27   6.060  12.453  -6.474
  197    HZ1  LYS  27           HZ1      LYS  27   7.108  11.212  -4.698
  198    HZ2  LYS  27           HZ2      LYS  27   8.078  12.478  -5.168
  199    HZ3  LYS  27           HZ3      LYS  27   8.481  10.912  -5.654
  200    H    LEU  28           HN       LEU  28   1.746   7.800  -7.673
  201    HA   LEU  28           HA       LEU  28   0.814   5.281  -7.712
  202    HB2  LEU  28           HB2      LEU  28   1.006   7.407  -9.811
  203    HB3  LEU  28           HB1      LEU  28   0.154   5.910 -10.081
  204    HG   LEU  28           HG       LEU  28  -1.289   7.702  -9.632
  205   HD11  LEU  28          HD11      LEU  28  -2.673   6.729  -7.811
  206   HD12  LEU  28          HD12      LEU  28  -1.301   5.722  -7.369
  207   HD13  LEU  28          HD13      LEU  28  -2.066   5.528  -8.951
  208   HD21  LEU  28          HD21      LEU  28  -1.592   8.781  -7.472
  209   HD22  LEU  28          HD22      LEU  28  -0.028   9.188  -8.170
  210   HD23  LEU  28          HD23      LEU  28  -0.155   8.000  -6.851
  211    H    ASP  29           HN       ASP  29   3.541   6.595  -9.427
  212    HA   ASP  29           HA       ASP  29   3.915   4.260 -11.116
  213    HB2  ASP  29           HB2      ASP  29   5.445   6.848 -10.902
  214    HB3  ASP  29           HB1      ASP  29   5.798   5.571 -12.058
  215    H    LYS  30           HN       LYS  30   4.542   4.425  -8.000
  216    HA   LYS  30           HA       LYS  30   7.346   3.612  -8.223
  217    HB2  LYS  30           HB2      LYS  30   5.819   4.565  -5.784
  218    HB3  LYS  30           HB1      LYS  30   7.532   4.166  -5.869
  219    HG2  LYS  30           HG2      LYS  30   6.344   6.340  -7.565
  220    HG3  LYS  30           HG1      LYS  30   6.850   6.638  -5.909
  221    HD2  LYS  30           HD2      LYS  30   8.708   5.416  -7.929
  222    HD3  LYS  30           HD1      LYS  30   8.499   7.164  -7.808
  223    HE2  LYS  30           HE2      LYS  30   9.154   7.070  -5.445
  224    HE3  LYS  30           HE1      LYS  30   9.372   5.328  -5.578
  225    HZ1  LYS  30           HZ1      LYS  30  10.942   7.325  -7.160
  226    HZ2  LYS  30           HZ2      LYS  30  11.173   5.630  -7.048
  227    HZ3  LYS  30           HZ3      LYS  30  11.444   6.602  -5.723
  228    H    SER  31           HN       SER  31   7.630   1.525  -8.112
  229    HA   SER  31           HA       SER  31   5.528  -0.208  -7.208
  230    HB2  SER  31           HB2      SER  31   6.895  -0.760  -9.213
  231    HB3  SER  31           HB1      SER  31   8.322  -0.882  -8.185
  232    HG   SER  31           HG       SER  31   6.732  -2.814  -8.783
  233    H    PHE  32           HN       PHE  32   5.423  -1.218  -5.351
  234    HA   PHE  32           HA       PHE  32   6.704  -0.299  -3.031
  235    HB2  PHE  32           HB2      PHE  32   5.219  -2.856  -3.562
  236    HB3  PHE  32           HB1      PHE  32   5.783  -2.411  -1.968
  237    HD1  PHE  32           HD1      PHE  32   4.852  -0.157  -1.058
  238    HD2  PHE  32           HD2      PHE  32   3.158  -2.277  -4.325
  239    HE1  PHE  32           HE1      PHE  32   2.715   1.002  -0.696
  240    HE2  PHE  32           HE2      PHE  32   1.020  -1.121  -3.977
  241    HZ   PHE  32           HZ       PHE  32   0.795   0.516  -2.163
  242    H    THR  33           HN       THR  33   6.830  -3.544  -4.291
  243    HA   THR  33           HA       THR  33   9.358  -3.853  -2.973
  244    HB   THR  33           HB       THR  33   7.541  -5.954  -4.183
  245    HG1  THR  33           HG1      THR  33   6.497  -5.876  -2.283
  246   HG21  THR  33          HG21      THR  33   8.772  -7.444  -2.708
  247   HG22  THR  33          HG22      THR  33   9.722  -6.062  -2.134
  248   HG23  THR  33          HG23      THR  33   9.886  -6.613  -3.815
  249    H    ASP  34           HN       ASP  34  10.149  -2.414  -4.608
  250    HA   ASP  34           HA       ASP  34  11.813  -3.716  -6.458
  251    HB2  ASP  34           HB2      ASP  34   9.884  -3.830  -7.927
  252    HB3  ASP  34           HB1      ASP  34   9.546  -2.120  -7.676
  253    H    ASP  35           HN       ASP  35  10.121  -0.582  -6.170
  254    HA   ASP  35           HA       ASP  35  12.740   0.683  -6.534
  255    HB2  ASP  35           HB2      ASP  35  10.807   1.117  -8.152
  256    HB3  ASP  35           HB1      ASP  35  10.061   2.002  -6.836
  257    H    LEU  36           HN       LEU  36   9.995   0.473  -4.421
  258    HA   LEU  36           HA       LEU  36  10.912   2.688  -2.774
  259    HB2  LEU  36           HB2      LEU  36   8.568   0.829  -2.421
  260    HB3  LEU  36           HB1      LEU  36   8.908   2.227  -1.426
  261    HG   LEU  36           HG       LEU  36   8.183   2.256  -4.349
  262   HD11  LEU  36          HD11      LEU  36   6.649   3.128  -1.907
  263   HD12  LEU  36          HD12      LEU  36   6.299   1.720  -2.915
  264   HD13  LEU  36          HD13      LEU  36   6.137   3.346  -3.580
  265   HD21  LEU  36          HD21      LEU  36   8.757   4.523  -2.447
  266   HD22  LEU  36          HD22      LEU  36   8.128   4.688  -4.090
  267   HD23  LEU  36          HD23      LEU  36   9.736   4.014  -3.826
  268    H    ASP  37           HN       ASP  37  10.135  -0.716  -2.288
  269    HA   ASP  37           HA       ASP  37  10.788  -2.304  -0.889
  270    HB2  ASP  37           HB2      ASP  37  13.178  -1.703  -1.218
  271    HB3  ASP  37           HB1      ASP  37  13.036  -0.469   0.030
  272    H    VAL  38           HN       VAL  38   9.405  -2.703   0.558
  273    HA   VAL  38           HA       VAL  38   8.914  -0.687   2.668
  274    HB   VAL  38           HB       VAL  38   6.961  -2.847   1.841
  275   HG11  VAL  38          HG11      VAL  38   5.304  -1.305   2.758
  276   HG12  VAL  38          HG12      VAL  38   6.593  -0.164   3.150
  277   HG13  VAL  38          HG13      VAL  38   6.535  -1.737   3.944
  278   HG21  VAL  38          HG21      VAL  38   7.124  -0.079   0.648
  279   HG22  VAL  38          HG22      VAL  38   5.819  -1.237   0.379
  280   HG23  VAL  38          HG23      VAL  38   7.450  -1.592  -0.195
  281    H    ASP  39           HN       ASP  39  11.029  -2.505   2.642
  282    HA   ASP  39           HA       ASP  39  12.198  -3.913   3.875
  283    HB2  ASP  39           HB2      ASP  39  11.179  -2.474   5.728
  284    HB3  ASP  39           HB1      ASP  39  10.017  -3.777   5.949
  285    H    SER  40           HN       SER  40   9.618  -4.638   2.445
  286    HA   SER  40           HA       SER  40   8.479  -6.304   1.594
  287    HB2  SER  40           HB2      SER  40   9.682  -8.322   1.008
  288    HB3  SER  40           HB1      SER  40  10.544  -6.827   0.630
  289    H    LEU  41           HN       LEU  41   9.775  -7.490   4.581
  290    HA   LEU  41           HA       LEU  41   7.494  -9.252   4.778
  291    HB2  LEU  41           HB2      LEU  41   8.451  -9.767   7.098
  292    HB3  LEU  41           HB1      LEU  41   9.394 -10.257   5.714
  293    HG   LEU  41           HG       LEU  41  10.798  -8.176   6.077
  294   HD11  LEU  41          HD11      LEU  41  10.790  -7.126   8.248
  295   HD12  LEU  41          HD12      LEU  41   9.438  -8.142   8.749
  296   HD13  LEU  41          HD13      LEU  41   9.204  -6.949   7.483
  297   HD21  LEU  41          HD21      LEU  41  10.756 -10.271   8.239
  298   HD22  LEU  41          HD22      LEU  41  12.106  -9.196   7.872
  299   HD23  LEU  41          HD23      LEU  41  11.578 -10.387   6.682
  300    H    SER  42           HN       SER  42   8.505  -6.171   5.828
  301    HA   SER  42           HA       SER  42   6.418  -5.904   7.692
  302    HB2  SER  42           HB2      SER  42   8.561  -4.021   6.802
  303    HB3  SER  42           HB1      SER  42   7.245  -3.490   7.854
  304    HG   SER  42           HG       SER  42   7.792  -5.381   9.129
  305    H    MET  43           HN       MET  43   6.545  -5.534   4.385
  306    HA   MET  43           HA       MET  43   4.863  -3.367   4.114
  307    HB2  MET  43           HB2      MET  43   4.094  -4.473   1.857
  308    HB3  MET  43           HB1      MET  43   5.736  -3.896   2.043
  309    HG2  MET  43           HG2      MET  43   5.560  -6.044   0.894
  310    HG3  MET  43           HG1      MET  43   6.556  -6.096   2.339
  311    HE1  MET  43           HE1      MET  43   2.435  -8.084   1.903
  312    HE2  MET  43           HE2      MET  43   3.378  -7.433   0.574
  313    HE3  MET  43           HE3      MET  43   2.619  -6.316   1.742
  314    H    VAL  44           HN       VAL  44   4.141  -6.622   4.965
  315    HA   VAL  44           HA       VAL  44   1.427  -6.646   4.566
  316    HB   VAL  44           HB       VAL  44   2.999  -8.043   6.770
  317   HG11  VAL  44          HG11      VAL  44   0.634  -7.952   7.380
  318   HG12  VAL  44          HG12      VAL  44   1.108  -9.596   6.952
  319   HG13  VAL  44          HG13      VAL  44   0.194  -8.615   5.807
  320   HG21  VAL  44          HG21      VAL  44   3.682  -8.648   4.536
  321   HG22  VAL  44          HG22      VAL  44   2.011  -9.014   4.099
  322   HG23  VAL  44          HG23      VAL  44   2.846  -9.994   5.308
  323    H    GLU  45           HN       GLU  45   3.417  -5.480   7.171
  324    HA   GLU  45           HA       GLU  45   1.434  -4.878   9.071
  325    HB2  GLU  45           HB2      GLU  45   4.195  -3.699   8.705
  326    HB3  GLU  45           HB1      GLU  45   3.237  -3.658  10.189
  327    HG2  GLU  45           HG2      GLU  45   3.289  -6.097  10.300
  328    HG3  GLU  45           HG1      GLU  45   4.180  -6.145   8.803
  329    H    VAL  46           HN       VAL  46   3.162  -2.855   6.673
  330    HA   VAL  46           HA       VAL  46   1.725  -0.512   6.867
  331    HB   VAL  46           HB       VAL  46   2.664  -1.885   4.318
  332   HG11  VAL  46          HG11      VAL  46   2.611   0.351   3.276
  333   HG12  VAL  46          HG12      VAL  46   1.903   1.022   4.742
  334   HG13  VAL  46          HG13      VAL  46   1.000  -0.148   3.786
  335   HG21  VAL  46          HG21      VAL  46   4.435  -1.459   5.918
  336   HG22  VAL  46          HG22      VAL  46   3.941   0.229   6.040
  337   HG23  VAL  46          HG23      VAL  46   4.591  -0.394   4.523
  338    H    VAL  47           HN       VAL  47   0.843  -3.353   4.886
  339    HA   VAL  47           HA       VAL  47  -1.607  -2.550   3.870
  340    HB   VAL  47           HB       VAL  47  -0.936  -5.342   4.868
  341   HG11  VAL  47          HG11      VAL  47  -3.325  -5.062   4.448
  342   HG12  VAL  47          HG12      VAL  47  -2.596  -6.109   3.232
  343   HG13  VAL  47          HG13      VAL  47  -2.979  -4.433   2.839
  344   HG21  VAL  47          HG21      VAL  47   0.718  -4.541   3.287
  345   HG22  VAL  47          HG22      VAL  47  -0.560  -4.103   2.150
  346   HG23  VAL  47          HG23      VAL  47  -0.279  -5.797   2.556
  347    H    VAL  48           HN       VAL  48  -1.159  -4.390   6.899
  348    HA   VAL  48           HA       VAL  48  -3.790  -4.368   7.798
  349    HB   VAL  48           HB       VAL  48  -1.297  -4.210   9.536
  350   HG11  VAL  48          HG11      VAL  48  -3.312  -3.704  10.822
  351   HG12  VAL  48          HG12      VAL  48  -2.660  -5.280  11.277
  352   HG13  VAL  48          HG13      VAL  48  -4.073  -5.180  10.228
  353   HG21  VAL  48          HG21      VAL  48  -2.832  -6.599   8.519
  354   HG22  VAL  48          HG22      VAL  48  -1.468  -6.653   9.637
  355   HG23  VAL  48          HG23      VAL  48  -1.233  -6.084   7.982
  356    H    ALA  49           HN       ALA  49  -1.362  -1.850   8.229
  357    HA   ALA  49           HA       ALA  49  -3.037  -0.236   9.903
  358    HB1  ALA  49           HB1      ALA  49  -0.592  -0.085  10.045
  359    HB2  ALA  49           HB2      ALA  49  -1.342   1.475   9.691
  360    HB3  ALA  49           HB3      ALA  49  -0.547   0.569   8.401
  361    H    ALA  50           HN       ALA  50  -2.394  -0.469   6.493
  362    HA   ALA  50           HA       ALA  50  -3.815   1.877   5.738
  363    HB1  ALA  50           HB1      ALA  50  -3.201  -0.631   4.161
  364    HB2  ALA  50           HB2      ALA  50  -2.199   0.820   4.221
  365    HB3  ALA  50           HB3      ALA  50  -3.796   0.879   3.473
  366    H    GLU  51           HN       GLU  51  -4.622  -1.486   6.273
  367    HA   GLU  51           HA       GLU  51  -7.282  -1.402   5.488
  368    HB2  GLU  51           HB2      GLU  51  -5.991  -3.127   7.606
  369    HB3  GLU  51           HB1      GLU  51  -7.608  -3.374   6.964
  370    HG2  GLU  51           HG2      GLU  51  -6.666  -3.721   4.737
  371    HG3  GLU  51           HG1      GLU  51  -5.044  -3.524   5.393
  372    H    GLU  52           HN       GLU  52  -5.700  -0.374   8.337
  373    HA   GLU  52           HA       GLU  52  -8.060   0.183   9.841
  374    HB2  GLU  52           HB2      GLU  52  -5.853  -0.238  10.847
  375    HB3  GLU  52           HB1      GLU  52  -5.242   1.230  10.110
  376    HG2  GLU  52           HG2      GLU  52  -6.793   2.542  11.463
  377    HG3  GLU  52           HG1      GLU  52  -7.388   1.054  12.205
  378    H    ARG  53           HN       ARG  53  -5.708   2.028   8.027
  379    HA   ARG  53           HA       ARG  53  -6.516   4.635   8.281
  380    HB2  ARG  53           HB2      ARG  53  -4.417   3.884   7.289
  381    HB3  ARG  53           HB1      ARG  53  -5.276   3.286   5.891
  382    HG2  ARG  53           HG2      ARG  53  -4.221   5.340   5.315
  383    HG3  ARG  53           HG1      ARG  53  -5.959   5.622   5.384
  384    HD2  ARG  53           HD2      ARG  53  -5.739   6.658   7.553
  385    HD3  ARG  53           HD1      ARG  53  -4.019   6.257   7.605
  386    HE   ARG  53           HE       ARG  53  -5.015   7.963   5.437
  387   HH11  ARG  53          HH11      ARG  53  -3.085   7.671   8.385
  388   HH12  ARG  53          HH12      ARG  53  -2.290   9.151   8.181
  389   HH21  ARG  53          HH21      ARG  53  -3.942   9.865   5.092
  390   HH22  ARG  53          HH22      ARG  53  -2.697  10.441   6.123
  391    H    PHE  54           HN       PHE  54  -7.508   2.435   5.597
  392    HA   PHE  54           HA       PHE  54  -9.490   4.483   4.728
  393    HB2  PHE  54           HB2      PHE  54  -8.896   1.950   3.232
  394    HB3  PHE  54           HB1      PHE  54  -9.492   3.480   2.615
  395    HD1  PHE  54           HD1      PHE  54  -7.742   5.492   3.022
  396    HD2  PHE  54           HD2      PHE  54  -6.815   1.356   2.703
  397    HE1  PHE  54           HE1      PHE  54  -5.446   6.071   2.353
  398    HE2  PHE  54           HE2      PHE  54  -4.499   1.934   2.038
  399    HZ   PHE  54           HZ       PHE  54  -3.822   4.288   1.871
  400    H    ASP  55           HN       ASP  55  -9.254   1.708   6.484
  401    HA   ASP  55           HA       ASP  55 -10.353  -0.111   6.933
  402    HB2  ASP  55           HB2      ASP  55 -12.182   1.267   7.832
  403    HB3  ASP  55           HB1      ASP  55 -12.901   1.391   6.223
  404    H    VAL  56           HN       VAL  56  -9.220  -0.956   5.357
  405    HA   VAL  56           HA       VAL  56 -10.893  -1.869   3.166
  406    HB   VAL  56           HB       VAL  56  -8.909  -0.410   2.443
  407   HG11  VAL  56          HG11      VAL  56  -7.178  -1.090   3.918
  408   HG12  VAL  56          HG12      VAL  56  -6.706  -1.465   2.250
  409   HG13  VAL  56          HG13      VAL  56  -7.262  -2.747   3.306
  410   HG21  VAL  56          HG21      VAL  56  -8.238  -1.806   0.552
  411   HG22  VAL  56          HG22      VAL  56  -9.979  -1.842   0.836
  412   HG23  VAL  56          HG23      VAL  56  -8.974  -3.200   1.340
  413    H    LYS  57           HN       LYS  57  -9.923  -4.008   2.411
  414    HA   LYS  57           HA       LYS  57  -9.014  -5.648   4.648
  415    HB2  LYS  57           HB2      LYS  57 -11.614  -6.151   3.181
  416    HB3  LYS  57           HB1      LYS  57 -10.731  -7.469   3.914
  417    HG2  LYS  57           HG2      LYS  57 -12.373  -6.951   5.482
  418    HG3  LYS  57           HG1      LYS  57 -10.946  -6.143   6.105
  419    HD2  LYS  57           HD2      LYS  57 -11.788  -3.996   5.252
  420    HD3  LYS  57           HD1      LYS  57 -13.196  -4.814   4.562
  421    HE2  LYS  57           HE2      LYS  57 -13.778  -5.616   6.855
  422    HE3  LYS  57           HE1      LYS  57 -12.451  -4.650   7.485
  423    HZ1  LYS  57           HZ1      LYS  57 -14.837  -3.572   6.056
  424    HZ2  LYS  57           HZ2      LYS  57 -13.640  -2.618   6.814
  425    HZ3  LYS  57           HZ3      LYS  57 -14.633  -3.618   7.704
  426    H    ILE  58           HN       ILE  58  -7.165  -6.269   3.817
  427    HA   ILE  58           HA       ILE  58  -7.208  -7.734   1.276
  428    HB   ILE  58           HB       ILE  58  -4.962  -5.777   1.872
  429   HG12  ILE  58          HG12      ILE  58  -7.261  -5.303  -0.048
  430   HG13  ILE  58          HG11      ILE  58  -7.121  -4.522   1.523
  431   HG21  ILE  58          HG21      ILE  58  -4.488  -7.662   0.359
  432   HG22  ILE  58          HG22      ILE  58  -4.470  -6.117  -0.508
  433   HG23  ILE  58          HG23      ILE  58  -5.874  -7.176  -0.628
  434   HD11  ILE  58          HD11      ILE  58  -5.050  -3.458   0.803
  435   HD12  ILE  58          HD12      ILE  58  -6.394  -3.055  -0.265
  436   HD13  ILE  58          HD13      ILE  58  -5.190  -4.246  -0.770
  437    HA   PRO  59           HA       PRO  59  -4.924 -10.172   4.408
  438    HB2  PRO  59           HB2      PRO  59  -5.183 -12.538   3.033
  439    HB3  PRO  59           HB1      PRO  59  -6.391 -11.925   4.165
  440    HG2  PRO  59           HG2      PRO  59  -6.344 -11.804   1.186
  441    HG3  PRO  59           HG1      PRO  59  -7.711 -12.089   2.275
  442    HD2  PRO  59           HD2      PRO  59  -7.250  -9.705   1.078
  443    HD3  PRO  59           HD1      PRO  59  -8.019  -9.843   2.671
  444    H    ASP  60           HN       ASP  60  -2.959 -11.472   4.249
  445    HA   ASP  60           HA       ASP  60  -1.012 -10.264   2.629
  446    HB2  ASP  60           HB2      ASP  60   0.564 -11.866   3.399
  447    HB3  ASP  60           HB1      ASP  60  -0.404 -11.299   4.764
  448    H    ASP  61           HN       ASP  61  -2.816 -13.190   2.077
  449    HA   ASP  61           HA       ASP  61  -1.112 -14.059  -0.064
  450    HB2  ASP  61           HB2      ASP  61  -2.813 -15.722  -0.556
  451    HB3  ASP  61           HB1      ASP  61  -2.526 -15.658   1.180
  452    H    ASP  62           HN       ASP  62  -3.603 -11.804   0.258
  453    HA   ASP  62           HA       ASP  62  -4.413 -11.858  -2.533
  454    HB2  ASP  62           HB2      ASP  62  -5.886 -11.261  -0.427
  455    HB3  ASP  62           HB1      ASP  62  -5.072  -9.701  -0.580
  456    H    VAL  63           HN       VAL  63  -2.806  -9.743  -0.214
  457    HA   VAL  63           HA       VAL  63  -2.242  -7.595  -1.864
  458    HB   VAL  63           HB       VAL  63  -2.122  -7.549   0.622
  459   HG11  VAL  63          HG11      VAL  63  -0.082  -8.187   1.775
  460   HG12  VAL  63          HG12      VAL  63   0.537  -8.882   0.277
  461   HG13  VAL  63          HG13      VAL  63  -0.897  -9.569   1.041
  462   HG21  VAL  63          HG21      VAL  63  -0.220  -6.017   0.804
  463   HG22  VAL  63          HG22      VAL  63  -1.237  -5.708  -0.604
  464   HG23  VAL  63          HG23      VAL  63   0.316  -6.529  -0.798
  465    H    LYS  64           HN       LYS  64  -0.698 -10.624  -1.743
  466    HA   LYS  64           HA       LYS  64   1.841 -10.142  -2.620
  467    HB2  LYS  64           HB2      LYS  64   0.017 -12.444  -3.249
  468    HB3  LYS  64           HB1      LYS  64   1.703 -12.413  -3.736
  469    HG2  LYS  64           HG2      LYS  64   2.369 -12.241  -1.405
  470    HG3  LYS  64           HG1      LYS  64   0.671 -12.253  -0.926
  471    HD2  LYS  64           HD2      LYS  64   0.383 -14.470  -1.816
  472    HD3  LYS  64           HD1      LYS  64   2.024 -14.460  -2.466
  473    HE2  LYS  64           HE2      LYS  64   1.277 -14.310   0.451
  474    HE3  LYS  64           HE1      LYS  64   1.878 -15.744  -0.388
  475    HZ1  LYS  64           HZ1      LYS  64   3.923 -14.475  -0.891
  476    HZ2  LYS  64           HZ2      LYS  64   3.679 -14.693   0.765
  477    HZ3  LYS  64           HZ3      LYS  64   3.354 -13.199   0.065
  478    H    ASN  65           HN       ASN  65  -1.078  -9.558  -4.350
  479    HA   ASN  65           HA       ASN  65   0.108  -9.942  -6.976
  480    HB2  ASN  65           HB2      ASN  65  -2.719  -9.270  -6.149
  481    HB3  ASN  65           HB1      ASN  65  -2.177  -9.362  -7.816
  482   HD21  ASN  65          HD21      ASN  65  -3.067 -11.117  -4.999
  483   HD22  ASN  65          HD22      ASN  65  -3.043 -12.698  -5.701
  484    H    LEU  66           HN       LEU  66   0.263  -7.576  -4.780
  485    HA   LEU  66           HA       LEU  66  -0.388  -5.395  -6.534
  486    HB2  LEU  66           HB2      LEU  66   0.810  -5.430  -3.781
  487    HB3  LEU  66           HB1      LEU  66   0.387  -3.965  -4.636
  488    HG   LEU  66           HG       LEU  66  -1.477  -6.120  -3.661
  489   HD11  LEU  66          HD11      LEU  66  -0.731  -4.536  -1.999
  490   HD12  LEU  66          HD12      LEU  66  -2.453  -4.380  -2.352
  491   HD13  LEU  66          HD13      LEU  66  -1.308  -3.198  -2.998
  492   HD21  LEU  66          HD21      LEU  66  -2.138  -3.699  -5.302
  493   HD22  LEU  66          HD22      LEU  66  -3.269  -4.862  -4.579
  494   HD23  LEU  66          HD23      LEU  66  -2.166  -5.382  -5.846
  495    H    LYS  67           HN       LYS  67   1.195  -3.622  -6.805
  496    HA   LYS  67           HA       LYS  67   3.918  -4.442  -6.884
  497    HB2  LYS  67           HB2      LYS  67   4.288  -4.003  -9.309
  498    HB3  LYS  67           HB1      LYS  67   3.244  -5.380  -9.038
  499    HG2  LYS  67           HG2      LYS  67   2.277  -2.632  -9.831
  500    HG3  LYS  67           HG1      LYS  67   2.650  -3.909 -10.974
  501    HD2  LYS  67           HD2      LYS  67   0.639  -4.283  -8.773
  502    HD3  LYS  67           HD1      LYS  67   0.195  -3.496 -10.279
  503    HE2  LYS  67           HE2      LYS  67  -0.442  -5.821 -10.427
  504    HE3  LYS  67           HE1      LYS  67   0.946  -5.591 -11.477
  505    HZ1  LYS  67           HZ1      LYS  67   2.356  -6.693  -9.792
  506    HZ2  LYS  67           HZ2      LYS  67   1.029  -7.635 -10.190
  507    HZ3  LYS  67           HZ3      LYS  67   1.009  -6.815  -8.756
  508    H    THR  68           HN       THR  68   2.061  -1.861  -8.557
  509    HA   THR  68           HA       THR  68   3.752   0.076  -7.210
  510    HB   THR  68           HB       THR  68   2.685   1.637  -8.874
  511    HG1  THR  68           HG1      THR  68   1.472   0.687 -10.560
  512   HG21  THR  68          HG21      THR  68   3.907   0.789 -10.847
  513   HG22  THR  68          HG22      THR  68   4.048  -0.792 -10.077
  514   HG23  THR  68          HG23      THR  68   4.870   0.604  -9.382
  515    H    VAL  69           HN       VAL  69   2.308   2.195  -6.749
  516    HA   VAL  69           HA       VAL  69   0.095   1.182  -5.237
  517    HB   VAL  69           HB       VAL  69  -0.222   3.261  -4.178
  518   HG11  VAL  69          HG11      VAL  69   2.702   2.828  -4.499
  519   HG12  VAL  69          HG12      VAL  69   1.591   2.076  -3.342
  520   HG13  VAL  69          HG13      VAL  69   1.926   3.808  -3.246
  521   HG21  VAL  69          HG21      VAL  69  -0.134   4.743  -6.033
  522   HG22  VAL  69          HG22      VAL  69   1.609   4.516  -6.177
  523   HG23  VAL  69          HG23      VAL  69   0.933   5.315  -4.755
  524    H    GLY  70           HN       GLY  70   0.548   2.225  -8.321
  525    HA2  GLY  70           HA2      GLY  70  -1.889   3.535  -8.854
  526    HA3  GLY  70           HA1      GLY  70  -0.923   2.632 -10.024
  527    H    ASP  71           HN       ASP  71  -0.870   0.171  -9.056
  528    HA   ASP  71           HA       ASP  71  -3.423  -0.874  -9.675
  529    HB2  ASP  71           HB2      ASP  71  -1.246  -2.134  -9.985
  530    HB3  ASP  71           HB1      ASP  71  -1.193  -2.297  -8.227
  531    H    ALA  72           HN       ALA  72  -1.590  -0.493  -6.688
  532    HA   ALA  72           HA       ALA  72  -3.359  -1.683  -4.915
  533    HB1  ALA  72           HB1      ALA  72  -1.508   0.627  -4.318
  534    HB2  ALA  72           HB2      ALA  72  -1.047  -1.074  -4.325
  535    HB3  ALA  72           HB3      ALA  72  -2.197  -0.480  -3.134
  536    H    THR  73           HN       THR  73  -3.429   1.583  -6.234
  537    HA   THR  73           HA       THR  73  -5.197   2.705  -4.450
  538    HB   THR  73           HB       THR  73  -4.886   3.283  -7.417
  539    HG1  THR  73           HG1      THR  73  -3.032   3.643  -6.063
  540   HG21  THR  73          HG21      THR  73  -6.216   4.944  -5.269
  541   HG22  THR  73          HG22      THR  73  -7.041   4.142  -6.604
  542   HG23  THR  73          HG23      THR  73  -5.911   5.463  -6.927
  543    H    LYS  74           HN       LYS  74  -6.075   1.345  -7.692
  544    HA   LYS  74           HA       LYS  74  -8.871   1.389  -7.176
  545    HB2  LYS  74           HB2      LYS  74  -7.289  -0.157  -9.221
  546    HB3  LYS  74           HB1      LYS  74  -9.022  -0.362  -9.050
  547    HG2  LYS  74           HG2      LYS  74  -8.807   1.114 -10.778
  548    HG3  LYS  74           HG1      LYS  74  -9.166   2.141  -9.390
  549    HD2  LYS  74           HD2      LYS  74  -7.433   3.193 -10.715
  550    HD3  LYS  74           HD1      LYS  74  -6.724   2.625  -9.202
  551    HE2  LYS  74           HE2      LYS  74  -5.747   0.737 -10.278
  552    HE3  LYS  74           HE1      LYS  74  -6.651   1.041 -11.761
  553    HZ1  LYS  74           HZ1      LYS  74  -4.584   2.888 -10.667
  554    HZ2  LYS  74           HZ2      LYS  74  -5.365   3.007 -12.149
  555    HZ3  LYS  74           HZ3      LYS  74  -4.305   1.726 -11.851
  556    H    TYR  75           HN       TYR  75  -6.426  -0.835  -6.476
  557    HA   TYR  75           HA       TYR  75  -7.896  -3.166  -6.120
  558    HB2  TYR  75           HB2      TYR  75  -5.406  -2.736  -6.367
  559    HB3  TYR  75           HB1      TYR  75  -5.414  -2.341  -4.662
  560    HD1  TYR  75           HD1      TYR  75  -5.659  -4.991  -7.143
  561    HD2  TYR  75           HD2      TYR  75  -5.694  -4.012  -3.019
  562    HE1  TYR  75           HE1      TYR  75  -5.430  -7.340  -6.612
  563    HE2  TYR  75           HE2      TYR  75  -5.465  -6.345  -2.430
  564    HH   TYR  75           HH       TYR  75  -4.633  -8.709  -4.714
  565    H    ILE  76           HN       ILE  76  -6.671  -0.696  -3.861
  566    HA   ILE  76           HA       ILE  76  -7.964  -1.688  -1.536
  567    HB   ILE  76           HB       ILE  76  -6.736   1.007  -2.185
  568   HG12  ILE  76          HG12      ILE  76  -5.757  -1.270  -0.441
  569   HG13  ILE  76          HG11      ILE  76  -5.188  -0.908  -2.065
  570   HG21  ILE  76          HG21      ILE  76  -7.765   0.039   0.479
  571   HG22  ILE  76          HG22      ILE  76  -8.462   1.324  -0.502
  572   HG23  ILE  76          HG23      ILE  76  -6.858   1.528   0.206
  573   HD11  ILE  76          HD11      ILE  76  -3.633  -0.129  -0.367
  574   HD12  ILE  76          HD12      ILE  76  -4.898   0.873   0.344
  575   HD13  ILE  76          HD13      ILE  76  -4.302   1.222  -1.280
  576    H    LEU  77           HN       LEU  77  -8.773   0.770  -3.934
  577    HA   LEU  77           HA       LEU  77 -11.065   1.722  -2.693
  578    HB2  LEU  77           HB2      LEU  77 -10.376   1.555  -5.622
  579    HB3  LEU  77           HB1      LEU  77 -11.822   2.351  -5.032
  580    HG   LEU  77           HG       LEU  77  -8.994   3.144  -4.336
  581   HD11  LEU  77          HD11      LEU  77 -10.996   4.467  -6.164
  582   HD12  LEU  77          HD12      LEU  77  -9.522   3.641  -6.663
  583   HD13  LEU  77          HD13      LEU  77  -9.423   5.119  -5.707
  584   HD21  LEU  77          HD21      LEU  77 -11.635   4.437  -3.695
  585   HD22  LEU  77          HD22      LEU  77 -10.041   5.104  -3.337
  586   HD23  LEU  77          HD23      LEU  77 -10.569   3.614  -2.556
  587    H    ASP  78           HN       ASP  78 -10.584  -1.156  -4.570
  588    HA   ASP  78           HA       ASP  78 -13.404  -1.748  -4.611
  589    HB2  ASP  78           HB2      ASP  78 -12.053  -2.484  -6.483
  590    HB3  ASP  78           HB1      ASP  78 -11.053  -3.460  -5.409
  591    H    HIS  79           HN       HIS  79 -10.567  -3.010  -2.905
  592    HA   HIS  79           HA       HIS  79 -12.062  -4.982  -1.473
  593    HB2  HIS  79           HB2      HIS  79  -9.264  -3.984  -1.152
  594    HB3  HIS  79           HB1      HIS  79  -9.984  -5.047   0.042
  595    HD1  HIS  79           HD1      HIS  79 -11.366  -7.121  -1.735
  596    HD2  HIS  79           HD2      HIS  79  -7.590  -5.586  -2.492
  597    HE1  HIS  79           HE1      HIS  79 -10.183  -8.873  -3.054
  598    HE2  HIS  79           HE2      HIS  79  -7.819  -8.095  -2.968
  599    H    GLN  80           HN       GLN  80 -12.016  -1.687  -1.020
  600    HA   GLN  80           HA       GLN  80 -12.303  -1.872   1.850
  601    HB2  GLN  80           HB2      GLN  80 -12.406   0.542   1.877
  602    HB3  GLN  80           HB1      GLN  80 -11.108   0.014   0.827
  603    HG2  GLN  80           HG2      GLN  80 -12.536   0.447  -1.137
  604    HG3  GLN  80           HG1      GLN  80 -13.801   1.036  -0.063
  605   HE21  GLN  80          HE21      GLN  80 -10.369   1.640   0.375
  606   HE22  GLN  80          HE22      GLN  80 -10.448   3.336   0.064
  607    H    ALA  81           HN       ALA  81 -14.189  -1.158   2.932
  608    HA   ALA  81           HA       ALA  81 -16.294  -1.588   3.475
  609    HB1  ALA  81           HB1      ALA  81 -18.062  -0.691   2.033
  610    HB2  ALA  81           HB2      ALA  81 -16.921  -0.560   0.696
  611    HB3  ALA  81           HB3      ALA  81 -16.716   0.445   2.133
  612    H2   SOO 101           H2A      SOO 101   4.617  -5.622  -0.678
  613    H3   SOO 101           H3A      SOO 101   1.968  -5.235  -2.225
  614    H4   SOO 101           H4A      SOO 101   2.503  -4.459   0.551
  615    H4A  SOO 101           H4B      SOO 101   3.281  -3.258  -0.491
  616    H5   SOO 101           H5A      SOO 101   0.409  -4.125  -0.694
  617    H5A  SOO 101           H5B      SOO 101   1.193  -2.877  -1.651
  618    H6   SOO 101           H6A      SOO 101   1.503  -1.505   0.321
  619    H6A  SOO 101           H6B      SOO 101   0.763  -2.759   1.326
  620    H7   SOO 101           H7A      SOO 101  -1.320  -2.553   0.046
  621    H7A  SOO 101           H7B      SOO 101  -0.570  -1.323  -0.983
  622    H8   SOO 101           H8C      SOO 101  -0.278   0.109   0.955
  623    H8A  SOO 101           H8A      SOO 101  -1.040  -1.111   1.986
  624    H8B  SOO 101           H8B      SOO 101  -1.964  -0.318   0.697
  625    H28  SOO 101          H28A      SOO 101  11.326 -11.383   2.263
  626   H28A  SOO 101          H28B      SOO 101   9.993 -10.229   2.262
  627    H30  SOO 101          H30A      SOO 101   8.232 -10.366   0.536
  628   H30A  SOO 101          H30B      SOO 101   8.283 -11.629  -0.695
  629   H30B  SOO 101          H30C      SOO 101   9.462 -10.319  -0.726
  630    H31  SOO 101          H31A      SOO 101  11.415 -13.191   0.540
  631   H31A  SOO 101          H31B      SOO 101  11.302 -11.981  -0.739
  632   H31B  SOO 101          H31C      SOO 101  10.149 -13.311  -0.683
  633    H32  SOO 101          H32A      SOO 101   8.375 -13.424   1.107
  634   HO33  SOO 101          H33A      SOO 101   9.719 -13.308   3.394
  635   HN36  SOO 101          H36A      SOO 101   6.623 -11.787   1.374
  636    H37  SOO 101          H37A      SOO 101   6.051 -11.198   4.155
  637   H37A  SOO 101          H37B      SOO 101   6.091  -9.848   3.047
  638    H38  SOO 101          H38A      SOO 101   4.266 -12.280   2.874
  639   H38A  SOO 101          H38B      SOO 101   3.854 -10.600   3.305
  640   HN41  SOO 101          H41A      SOO 101   5.442  -9.496   1.333
  641    H42  SOO 101          H42A      SOO 101   5.009 -10.237  -1.313
  642   H42A  SOO 101          H42B      SOO 101   3.673  -9.179  -0.835
  643    H43  SOO 101          H43A      SOO 101   6.615  -8.505  -0.594
  644   H43A  SOO 101          H43B      SOO 101   5.220  -7.474  -0.181
  Start of MODEL    9
    1    H1   ALA   1           HT1      ALA   1 -14.160   3.963   3.512
    2    H2   ALA   1           HT2      ALA   1 -12.932   2.986   2.940
    3    H3   ALA   1           HT3      ALA   1 -14.581   2.604   2.597
    4    HA   ALA   1           HA       ALA   1 -13.539   3.521   0.668
    5    HB1  ALA   1           HB1      ALA   1 -15.433   5.459   1.974
    6    HB2  ALA   1           HB2      ALA   1 -15.892   3.999   1.101
    7    HB3  ALA   1           HB3      ALA   1 -15.098   5.324   0.248
    8    H    ALA   2           HN       ALA   2 -12.178   4.916  -0.274
    9    HA   ALA   2           HA       ALA   2 -11.355   7.386   0.920
   10    HB1  ALA   2           HB1      ALA   2  -9.400   5.097   0.600
   11    HB2  ALA   2           HB2      ALA   2  -9.907   5.816   2.129
   12    HB3  ALA   2           HB3      ALA   2  -8.967   6.764   0.978
   13    H    THR   3           HN       THR   3 -10.291   8.645  -0.696
   14    HA   THR   3           HA       THR   3 -10.799   7.788  -3.389
   15    HB   THR   3           HB       THR   3  -9.778  10.015  -3.967
   16    HG1  THR   3           HG1      THR   3  -9.838  10.494  -1.177
   17   HG21  THR   3          HG21      THR   3 -11.942  10.070  -1.863
   18   HG22  THR   3          HG22      THR   3 -12.203   9.806  -3.589
   19   HG23  THR   3          HG23      THR   3 -11.599  11.364  -3.010
   20    H    GLN   4           HN       GLN   4  -8.868   8.484  -5.011
   21    HA   GLN   4           HA       GLN   4  -6.789   6.681  -4.688
   22    HB2  GLN   4           HB2      GLN   4  -7.337   7.238  -6.890
   23    HB3  GLN   4           HB1      GLN   4  -7.420   8.946  -6.546
   24    HG2  GLN   4           HG2      GLN   4  -4.784   7.567  -6.424
   25    HG3  GLN   4           HG1      GLN   4  -5.479   7.958  -8.008
   26   HE21  GLN   4          HE21      GLN   4  -3.078   9.001  -6.757
   27   HE22  GLN   4          HE22      GLN   4  -3.294  10.710  -6.611
   28    H    GLU   5           HN       GLU   5  -7.056  10.112  -4.091
   29    HA   GLU   5           HA       GLU   5  -4.343  10.570  -3.509
   30    HB2  GLU   5           HB2      GLU   5  -6.122  12.309  -4.002
   31    HB3  GLU   5           HB1      GLU   5  -6.682  12.086  -2.353
   32    HG2  GLU   5           HG2      GLU   5  -5.275  14.013  -2.440
   33    HG3  GLU   5           HG1      GLU   5  -4.438  12.742  -1.547
   34    H    GLU   6           HN       GLU   6  -7.105   9.645  -1.480
   35    HA   GLU   6           HA       GLU   6  -5.736   9.842   0.971
   36    HB2  GLU   6           HB2      GLU   6  -8.197   8.320   0.166
   37    HB3  GLU   6           HB1      GLU   6  -7.595   8.392   1.818
   38    HG2  GLU   6           HG2      GLU   6  -7.961  10.721   1.943
   39    HG3  GLU   6           HG1      GLU   6  -8.261  10.830   0.209
   40    H    ILE   7           HN       ILE   7  -6.176   7.262  -1.354
   41    HA   ILE   7           HA       ILE   7  -4.925   5.236   0.156
   42    HB   ILE   7           HB       ILE   7  -5.252   5.577  -2.844
   43   HG12  ILE   7          HG12      ILE   7  -6.673   3.811  -0.838
   44   HG13  ILE   7          HG11      ILE   7  -7.310   5.311  -1.502
   45   HG21  ILE   7          HG21      ILE   7  -3.307   4.139  -2.417
   46   HG22  ILE   7          HG22      ILE   7  -4.653   3.200  -3.061
   47   HG23  ILE   7          HG23      ILE   7  -4.280   3.135  -1.339
   48   HD11  ILE   7          HD11      ILE   7  -7.346   4.311  -3.720
   49   HD12  ILE   7          HD12      ILE   7  -8.285   3.360  -2.568
   50   HD13  ILE   7          HD13      ILE   7  -6.681   2.819  -3.059
   51    H    VAL   8           HN       VAL   8  -3.641   7.138  -2.528
   52    HA   VAL   8           HA       VAL   8  -0.985   6.356  -2.383
   53    HB   VAL   8           HB       VAL   8  -2.260   8.920  -3.373
   54   HG11  VAL   8          HG11      VAL   8   0.136   9.297  -3.000
   55   HG12  VAL   8          HG12      VAL   8  -0.259   9.256  -4.719
   56   HG13  VAL   8          HG13      VAL   8   0.507   7.860  -3.957
   57   HG21  VAL   8          HG21      VAL   8  -3.074   6.939  -4.450
   58   HG22  VAL   8          HG22      VAL   8  -1.440   6.359  -4.717
   59   HG23  VAL   8          HG23      VAL   8  -2.007   7.795  -5.568
   60    H    ALA   9           HN       ALA   9  -2.384   9.349  -0.992
   61    HA   ALA   9           HA       ALA   9   0.028  10.098   0.313
   62    HB1  ALA   9           HB1      ALA   9  -1.313  11.808   1.409
   63    HB2  ALA   9           HB2      ALA   9  -2.787  11.002   0.852
   64    HB3  ALA   9           HB3      ALA   9  -1.681  11.717  -0.316
   65    H    GLY  10           HN       GLY  10  -2.778   8.221   1.301
   66    HA2  GLY  10           HA2      GLY  10  -2.277   8.258   4.079
   67    HA3  GLY  10           HA1      GLY  10  -3.253   7.078   3.213
   68    H    LEU  11           HN       LEU  11  -1.572   5.866   1.576
   69    HA   LEU  11           HA       LEU  11  -0.292   3.896   2.916
   70    HB2  LEU  11           HB2      LEU  11  -0.425   4.927   0.261
   71    HB3  LEU  11           HB1      LEU  11   1.177   4.297   0.558
   72    HG   LEU  11           HG       LEU  11  -1.407   2.765   0.977
   73   HD11  LEU  11          HD11      LEU  11  -0.802   1.562  -1.055
   74   HD12  LEU  11          HD12      LEU  11   0.585   2.628  -1.277
   75   HD13  LEU  11          HD13      LEU  11  -1.052   3.277  -1.377
   76   HD21  LEU  11          HD21      LEU  11   0.065   0.821   1.141
   77   HD22  LEU  11          HD22      LEU  11   0.435   2.012   2.391
   78   HD23  LEU  11          HD23      LEU  11   1.474   1.871   0.975
   79    H    ALA  12           HN       ALA  12   1.175   6.789   1.577
   80    HA   ALA  12           HA       ALA  12   3.811   6.161   2.099
   81    HB1  ALA  12           HB1      ALA  12   2.634   8.908   1.979
   82    HB2  ALA  12           HB2      ALA  12   3.104   7.898   0.594
   83    HB3  ALA  12           HB3      ALA  12   4.324   8.435   1.756
   84    H    GLU  13           HN       GLU  13   1.470   7.581   4.304
   85    HA   GLU  13           HA       GLU  13   3.473   8.405   6.163
   86    HB2  GLU  13           HB2      GLU  13   0.520   7.969   6.598
   87    HB3  GLU  13           HB1      GLU  13   1.611   8.732   7.747
   88    HG2  GLU  13           HG2      GLU  13   2.090  10.476   6.066
   89    HG3  GLU  13           HG1      GLU  13   0.886   9.738   5.014
   90    H    ILE  14           HN       ILE  14   1.437   5.571   5.850
   91    HA   ILE  14           HA       ILE  14   2.432   4.371   8.251
   92    HB   ILE  14           HB       ILE  14   0.895   3.140   5.926
   93   HG12  ILE  14          HG12      ILE  14  -0.887   2.826   7.711
   94   HG13  ILE  14          HG11      ILE  14   0.086   3.845   8.754
   95   HG21  ILE  14          HG21      ILE  14   0.631   1.127   7.287
   96   HG22  ILE  14          HG22      ILE  14   1.732   1.806   8.486
   97   HG23  ILE  14          HG23      ILE  14   2.314   1.432   6.865
   98   HD11  ILE  14          HD11      ILE  14  -1.166   4.651   6.145
   99   HD12  ILE  14          HD12      ILE  14  -0.200   5.694   7.189
  100   HD13  ILE  14          HD13      ILE  14  -1.748   5.066   7.758
  101    H    VAL  15           HN       VAL  15   3.167   4.172   4.842
  102    HA   VAL  15           HA       VAL  15   5.171   2.249   4.919
  103    HB   VAL  15           HB       VAL  15   4.821   4.643   3.077
  104   HG11  VAL  15          HG11      VAL  15   6.455   3.578   1.593
  105   HG12  VAL  15          HG12      VAL  15   6.775   2.356   2.833
  106   HG13  VAL  15          HG13      VAL  15   7.168   4.052   3.134
  107   HG21  VAL  15          HG21      VAL  15   4.120   2.948   1.458
  108   HG22  VAL  15          HG22      VAL  15   3.107   2.921   2.902
  109   HG23  VAL  15          HG23      VAL  15   4.351   1.690   2.674
  110    H    ASN  16           HN       ASN  16   5.201   5.650   5.615
  111    HA   ASN  16           HA       ASN  16   7.974   6.019   5.803
  112    HB2  ASN  16           HB2      ASN  16   6.242   7.791   5.558
  113    HB3  ASN  16           HB1      ASN  16   5.839   7.548   7.254
  114   HD21  ASN  16          HD21      ASN  16   8.221   8.549   5.026
  115   HD22  ASN  16          HD22      ASN  16   9.146   9.531   6.108
  116    H    GLU  17           HN       GLU  17   5.532   5.295   8.276
  117    HA   GLU  17           HA       GLU  17   7.467   5.438  10.362
  118    HB2  GLU  17           HB2      GLU  17   5.674   4.732  11.870
  119    HB3  GLU  17           HB1      GLU  17   5.162   6.044  10.820
  120    HG2  GLU  17           HG2      GLU  17   3.948   4.441   9.418
  121    HG3  GLU  17           HG1      GLU  17   4.531   3.147  10.465
  122    H    ILE  18           HN       ILE  18   6.373   2.848   8.337
  123    HA   ILE  18           HA       ILE  18   7.667   0.886  10.135
  124    HB   ILE  18           HB       ILE  18   5.816   0.362   7.793
  125   HG12  ILE  18          HG12      ILE  18   5.386   0.301  10.802
  126   HG13  ILE  18          HG11      ILE  18   4.703   1.422   9.631
  127   HG21  ILE  18          HG21      ILE  18   7.424  -1.471   8.152
  128   HG22  ILE  18          HG22      ILE  18   5.795  -1.958   8.625
  129   HG23  ILE  18          HG23      ILE  18   6.981  -1.529   9.859
  130   HD11  ILE  18          HD11      ILE  18   3.085  -0.219  10.377
  131   HD12  ILE  18          HD12      ILE  18   4.108  -1.508   9.741
  132   HD13  ILE  18          HD13      ILE  18   3.395  -0.324   8.645
  133    H    ALA  19           HN       ALA  19   7.606   1.690   6.644
  134    HA   ALA  19           HA       ALA  19   9.921  -0.036   6.235
  135    HB1  ALA  19           HB1      ALA  19   8.055  -0.145   4.656
  136    HB2  ALA  19           HB2      ALA  19   9.558   0.336   3.870
  137    HB3  ALA  19           HB3      ALA  19   8.325   1.546   4.233
  138    H    GLY  20           HN       GLY  20   9.136   3.327   6.362
  139    HA2  GLY  20           HA2      GLY  20  10.655   5.060   6.756
  140    HA3  GLY  20           HA1      GLY  20  11.969   3.948   6.408
  141    H    ILE  21           HN       ILE  21   9.157   4.993   4.525
  142    HA   ILE  21           HA       ILE  21  10.998   6.012   2.473
  143    HB   ILE  21           HB       ILE  21   8.271   4.714   2.097
  144   HG12  ILE  21          HG12      ILE  21  10.002   3.079   2.558
  145   HG13  ILE  21          HG11      ILE  21   9.446   2.929   0.894
  146   HG21  ILE  21          HG21      ILE  21   8.617   4.913  -0.315
  147   HG22  ILE  21          HG22      ILE  21  10.096   5.831  -0.021
  148   HG23  ILE  21          HG23      ILE  21   8.539   6.488   0.477
  149   HD11  ILE  21          HD11      ILE  21  11.854   2.665   1.029
  150   HD12  ILE  21          HD12      ILE  21  12.000   4.235   1.820
  151   HD13  ILE  21          HD13      ILE  21  11.455   4.137   0.145
  152    HA   PRO  22           HA       PRO  22   9.343  10.033   3.416
  153    HB2  PRO  22           HB2      PRO  22   9.374  10.300   0.441
  154    HB3  PRO  22           HB1      PRO  22   9.978  11.411   1.678
  155    HG2  PRO  22           HG2      PRO  22  11.654   9.858   0.319
  156    HG3  PRO  22           HG1      PRO  22  11.895  10.176   2.045
  157    HD2  PRO  22           HD2      PRO  22  10.946   7.717   0.684
  158    HD3  PRO  22           HD1      PRO  22  11.849   7.895   2.201
  159    H    VAL  23           HN       VAL  23   7.432  11.032   3.551
  160    HA   VAL  23           HA       VAL  23   5.044   9.604   2.830
  161    HB   VAL  23           HB       VAL  23   3.835  11.457   3.968
  162   HG11  VAL  23          HG11      VAL  23   6.213  10.394   5.473
  163   HG12  VAL  23          HG12      VAL  23   4.666   9.572   5.260
  164   HG13  VAL  23          HG13      VAL  23   4.751  11.067   6.191
  165   HG21  VAL  23          HG21      VAL  23   6.600  12.581   4.261
  166   HG22  VAL  23          HG22      VAL  23   5.152  13.238   5.049
  167   HG23  VAL  23          HG23      VAL  23   5.311  13.260   3.281
  168    H    GLU  24           HN       GLU  24   6.747  11.078   0.796
  169    HA   GLU  24           HA       GLU  24   4.529  12.191  -0.767
  170    HB2  GLU  24           HB2      GLU  24   6.109  13.949  -1.579
  171    HB3  GLU  24           HB1      GLU  24   5.671  14.122   0.118
  172    HG2  GLU  24           HG2      GLU  24   7.766  13.317   0.846
  173    HG3  GLU  24           HG1      GLU  24   8.182  12.727  -0.759
  174    H    ASP  25           HN       ASP  25   6.488   9.756  -0.521
  175    HA   ASP  25           HA       ASP  25   7.651  10.016  -3.200
  176    HB2  ASP  25           HB2      ASP  25   9.230   9.877  -1.397
  177    HB3  ASP  25           HB1      ASP  25   8.554   8.355  -0.852
  178    H    VAL  26           HN       VAL  26   5.305   8.334  -1.411
  179    HA   VAL  26           HA       VAL  26   5.397   5.962  -3.054
  180    HB   VAL  26           HB       VAL  26   3.583   6.747  -0.728
  181   HG11  VAL  26          HG11      VAL  26   3.976   4.066  -2.041
  182   HG12  VAL  26          HG12      VAL  26   2.547   5.088  -2.174
  183   HG13  VAL  26          HG13      VAL  26   2.986   4.381  -0.617
  184   HG21  VAL  26          HG21      VAL  26   4.918   5.197   0.626
  185   HG22  VAL  26          HG22      VAL  26   5.886   6.537   0.014
  186   HG23  VAL  26          HG23      VAL  26   6.002   4.950  -0.742
  187    H    LYS  27           HN       LYS  27   4.924   7.122  -4.930
  188    HA   LYS  27           HA       LYS  27   2.234   8.241  -5.067
  189    HB2  LYS  27           HB2      LYS  27   4.742   9.046  -6.530
  190    HB3  LYS  27           HB1      LYS  27   3.126   9.560  -7.004
  191    HG2  LYS  27           HG2      LYS  27   2.776  10.642  -4.887
  192    HG3  LYS  27           HG1      LYS  27   4.338  10.063  -4.308
  193    HD2  LYS  27           HD2      LYS  27   5.498  11.420  -5.921
  194    HD3  LYS  27           HD1      LYS  27   3.972  11.894  -6.677
  195    HE2  LYS  27           HE2      LYS  27   3.302  13.095  -4.721
  196    HE3  LYS  27           HE1      LYS  27   4.667  12.463  -3.804
  197    HZ1  LYS  27           HZ1      LYS  27   4.829  14.336  -6.109
  198    HZ2  LYS  27           HZ2      LYS  27   6.159  13.723  -5.234
  199    HZ3  LYS  27           HZ3      LYS  27   5.044  14.717  -4.481
  200    H    LEU  28           HN       LEU  28   1.375   8.252  -7.446
  201    HA   LEU  28           HA       LEU  28   0.433   5.722  -7.801
  202    HB2  LEU  28           HB2      LEU  28   0.426   8.035  -9.685
  203    HB3  LEU  28           HB1      LEU  28  -0.330   6.514 -10.109
  204    HG   LEU  28           HG       LEU  28  -1.077   8.202  -7.708
  205   HD11  LEU  28          HD11      LEU  28  -3.119   8.687  -8.948
  206   HD12  LEU  28          HD12      LEU  28  -2.492   7.809 -10.343
  207   HD13  LEU  28          HD13      LEU  28  -1.700   9.296  -9.803
  208   HD21  LEU  28          HD21      LEU  28  -3.007   6.702  -7.571
  209   HD22  LEU  28          HD22      LEU  28  -1.492   5.834  -7.357
  210   HD23  LEU  28          HD23      LEU  28  -2.354   5.735  -8.895
  211    H    ASP  29           HN       ASP  29   3.196   6.996  -9.590
  212    HA   ASP  29           HA       ASP  29   3.125   4.657 -11.332
  213    HB2  ASP  29           HB2      ASP  29   3.560   6.995 -12.165
  214    HB3  ASP  29           HB1      ASP  29   5.095   6.953 -11.316
  215    H    LYS  30           HN       LYS  30   4.084   4.861  -8.268
  216    HA   LYS  30           HA       LYS  30   6.741   3.710  -8.674
  217    HB2  LYS  30           HB2      LYS  30   5.506   4.930  -6.209
  218    HB3  LYS  30           HB1      LYS  30   7.101   4.213  -6.296
  219    HG2  LYS  30           HG2      LYS  30   6.238   6.667  -7.841
  220    HG3  LYS  30           HG1      LYS  30   7.100   6.704  -6.309
  221    HD2  LYS  30           HD2      LYS  30   8.833   6.983  -7.846
  222    HD3  LYS  30           HD1      LYS  30   8.867   5.245  -7.586
  223    HE2  LYS  30           HE2      LYS  30   7.445   5.031  -9.713
  224    HE3  LYS  30           HE1      LYS  30   7.703   6.750  -9.922
  225    HZ1  LYS  30           HZ1      LYS  30   9.274   5.404 -11.195
  226    HZ2  LYS  30           HZ2      LYS  30   9.857   4.720  -9.787
  227    HZ3  LYS  30           HZ3      LYS  30  10.055   6.389 -10.063
  228    H    SER  31           HN       SER  31   7.171   1.792  -8.211
  229    HA   SER  31           HA       SER  31   5.029   0.044  -7.390
  230    HB2  SER  31           HB2      SER  31   6.322  -0.423  -9.435
  231    HB3  SER  31           HB1      SER  31   7.797  -0.482  -8.480
  232    HG   SER  31           HG       SER  31   6.499  -2.495  -9.086
  233    H    PHE  32           HN       PHE  32   4.958  -0.840  -5.487
  234    HA   PHE  32           HA       PHE  32   6.511  -0.143  -3.233
  235    HB2  PHE  32           HB2      PHE  32   5.036  -2.760  -3.638
  236    HB3  PHE  32           HB1      PHE  32   5.592  -2.118  -2.109
  237    HD1  PHE  32           HD1      PHE  32   4.599   0.160  -1.445
  238    HD2  PHE  32           HD2      PHE  32   2.888  -2.445  -4.315
  239    HE1  PHE  32           HE1      PHE  32   2.446   1.263  -1.128
  240    HE2  PHE  32           HE2      PHE  32   0.707  -1.350  -4.011
  241    HZ   PHE  32           HZ       PHE  32   0.417   0.363  -2.392
  242    H    THR  33           HN       THR  33   6.462  -3.116  -5.123
  243    HA   THR  33           HA       THR  33   8.801  -4.092  -3.827
  244    HB   THR  33           HB       THR  33   8.129  -6.035  -5.523
  245    HG1  THR  33           HG1      THR  33   5.537  -5.230  -5.061
  246   HG21  THR  33          HG21      THR  33   6.651  -6.910  -3.760
  247   HG22  THR  33          HG22      THR  33   6.556  -5.300  -3.041
  248   HG23  THR  33          HG23      THR  33   8.091  -6.168  -3.061
  249    H    ASP  34           HN       ASP  34   9.335  -1.825  -5.430
  250    HA   ASP  34           HA       ASP  34  11.500  -2.845  -7.007
  251    HB2  ASP  34           HB2      ASP  34   9.707  -3.095  -8.686
  252    HB3  ASP  34           HB1      ASP  34   9.309  -1.392  -8.511
  253    H    ASP  35           HN       ASP  35   9.502   0.134  -6.822
  254    HA   ASP  35           HA       ASP  35  11.883   1.780  -7.047
  255    HB2  ASP  35           HB2      ASP  35   8.998   2.563  -6.580
  256    HB3  ASP  35           HB1      ASP  35  10.321   3.682  -6.848
  257    H    LEU  36           HN       LEU  36   9.322   1.222  -4.755
  258    HA   LEU  36           HA       LEU  36  10.372   3.063  -2.832
  259    HB2  LEU  36           HB2      LEU  36   8.196   1.016  -2.491
  260    HB3  LEU  36           HB1      LEU  36   8.487   2.417  -1.485
  261    HG   LEU  36           HG       LEU  36   7.557   2.447  -4.352
  262   HD11  LEU  36          HD11      LEU  36   5.475   3.319  -3.427
  263   HD12  LEU  36          HD12      LEU  36   6.117   3.096  -1.798
  264   HD13  LEU  36          HD13      LEU  36   5.841   1.697  -2.837
  265   HD21  LEU  36          HD21      LEU  36   8.024   4.734  -2.436
  266   HD22  LEU  36          HD22      LEU  36   7.267   4.856  -4.030
  267   HD23  LEU  36          HD23      LEU  36   8.955   4.361  -3.894
  268    H    ASP  37           HN       ASP  37   9.803  -0.427  -2.831
  269    HA   ASP  37           HA       ASP  37  10.502  -2.130  -1.641
  270    HB2  ASP  37           HB2      ASP  37  12.840  -1.563  -2.261
  271    HB3  ASP  37           HB1      ASP  37  12.938  -0.488  -0.864
  272    H    VAL  38           HN       VAL  38   9.271  -2.588  -0.117
  273    HA   VAL  38           HA       VAL  38   8.949  -0.641   2.072
  274    HB   VAL  38           HB       VAL  38   7.009  -2.878   1.420
  275   HG11  VAL  38          HG11      VAL  38   6.701  -1.802   3.572
  276   HG12  VAL  38          HG12      VAL  38   5.360  -1.421   2.492
  277   HG13  VAL  38          HG13      VAL  38   6.623  -0.224   2.791
  278   HG21  VAL  38          HG21      VAL  38   5.693  -1.293   0.087
  279   HG22  VAL  38          HG22      VAL  38   7.276  -1.597  -0.629
  280   HG23  VAL  38          HG23      VAL  38   6.980  -0.096   0.252
  281    H    ASP  39           HN       ASP  39  11.161  -2.333   2.036
  282    HA   ASP  39           HA       ASP  39  12.458  -3.580   3.373
  283    HB2  ASP  39           HB2      ASP  39  11.594  -2.104   5.135
  284    HB3  ASP  39           HB1      ASP  39  10.227  -3.175   5.381
  285    H    SER  40           HN       SER  40   9.718  -4.612   2.264
  286    HA   SER  40           HA       SER  40   8.747  -6.403   1.580
  287    HB2  SER  40           HB2      SER  40  10.051  -8.317   0.928
  288    HB3  SER  40           HB1      SER  40  10.775  -6.784   0.453
  289    H    LEU  41           HN       LEU  41  10.338  -7.268   4.561
  290    HA   LEU  41           HA       LEU  41   8.251  -9.242   4.883
  291    HB2  LEU  41           HB2      LEU  41   9.307  -9.786   7.109
  292    HB3  LEU  41           HB1      LEU  41  10.299 -10.077   5.704
  293    HG   LEU  41           HG       LEU  41  11.479  -7.918   6.218
  294   HD11  LEU  41          HD11      LEU  41  10.068  -8.206   8.881
  295   HD12  LEU  41          HD12      LEU  41   9.772  -6.936   7.703
  296   HD13  LEU  41          HD13      LEU  41  11.343  -7.039   8.507
  297   HD21  LEU  41          HD21      LEU  41  12.468 -10.060   6.708
  298   HD22  LEU  41          HD22      LEU  41  11.615 -10.136   8.248
  299   HD23  LEU  41          HD23      LEU  41  12.858  -8.912   7.988
  300    H    SER  42           HN       SER  42   8.982  -6.071   6.055
  301    HA   SER  42           HA       SER  42   6.933  -6.178   8.025
  302    HB2  SER  42           HB2      SER  42   7.591  -3.792   8.424
  303    HB3  SER  42           HB1      SER  42   8.887  -4.975   8.615
  304    HG   SER  42           HG       SER  42   9.892  -4.140   7.012
  305    H    MET  43           HN       MET  43   7.018  -5.529   4.762
  306    HA   MET  43           HA       MET  43   5.237  -3.473   4.524
  307    HB2  MET  43           HB2      MET  43   4.538  -4.539   2.249
  308    HB3  MET  43           HB1      MET  43   6.183  -3.980   2.481
  309    HG2  MET  43           HG2      MET  43   6.079  -6.082   1.291
  310    HG3  MET  43           HG1      MET  43   6.949  -6.219   2.809
  311    HE1  MET  43           HE1      MET  43   3.994  -7.449   0.729
  312    HE2  MET  43           HE2      MET  43   3.180  -6.254   1.760
  313    HE3  MET  43           HE3      MET  43   2.816  -8.002   1.914
  314    H    VAL  44           HN       VAL  44   4.504  -6.752   5.329
  315    HA   VAL  44           HA       VAL  44   1.727  -6.705   4.955
  316    HB   VAL  44           HB       VAL  44   3.280  -8.207   7.102
  317   HG11  VAL  44          HG11      VAL  44   1.380  -9.759   7.150
  318   HG12  VAL  44          HG12      VAL  44   0.512  -8.729   6.013
  319   HG13  VAL  44          HG13      VAL  44   0.901  -8.129   7.626
  320   HG21  VAL  44          HG21      VAL  44   4.073  -8.737   4.868
  321   HG22  VAL  44          HG22      VAL  44   2.427  -9.073   4.337
  322   HG23  VAL  44          HG23      VAL  44   3.195 -10.111   5.541
  323    H    GLU  45           HN       GLU  45   3.775  -5.617   7.576
  324    HA   GLU  45           HA       GLU  45   1.756  -4.995   9.449
  325    HB2  GLU  45           HB2      GLU  45   4.520  -3.784   9.184
  326    HB3  GLU  45           HB1      GLU  45   3.520  -3.816  10.633
  327    HG2  GLU  45           HG2      GLU  45   3.673  -6.268  10.667
  328    HG3  GLU  45           HG1      GLU  45   4.673  -6.204   9.237
  329    H    VAL  46           HN       VAL  46   3.591  -3.089   7.048
  330    HA   VAL  46           HA       VAL  46   2.294  -0.668   7.186
  331    HB   VAL  46           HB       VAL  46   3.117  -2.133   4.649
  332   HG11  VAL  46          HG11      VAL  46   1.582  -0.285   4.119
  333   HG12  VAL  46          HG12      VAL  46   3.214   0.106   3.592
  334   HG13  VAL  46          HG13      VAL  46   2.571   0.821   5.062
  335   HG21  VAL  46          HG21      VAL  46   5.166  -0.794   4.813
  336   HG22  VAL  46          HG22      VAL  46   4.952  -1.841   6.215
  337   HG23  VAL  46          HG23      VAL  46   4.593  -0.118   6.337
  338    H    VAL  47           HN       VAL  47   1.270  -3.438   5.146
  339    HA   VAL  47           HA       VAL  47  -1.081  -2.579   4.035
  340    HB   VAL  47           HB       VAL  47  -0.645  -5.312   5.293
  341   HG11  VAL  47          HG11      VAL  47  -2.271  -6.131   3.653
  342   HG12  VAL  47          HG12      VAL  47  -2.550  -4.476   3.111
  343   HG13  VAL  47          HG13      VAL  47  -2.987  -4.950   4.750
  344   HG21  VAL  47          HG21      VAL  47  -0.090  -4.347   2.502
  345   HG22  VAL  47          HG22      VAL  47   0.058  -6.012   3.066
  346   HG23  VAL  47          HG23      VAL  47   1.110  -4.757   3.727
  347    H    VAL  48           HN       VAL  48  -0.908  -4.277   7.143
  348    HA   VAL  48           HA       VAL  48  -3.544  -4.136   7.940
  349    HB   VAL  48           HB       VAL  48  -1.137  -3.879   9.772
  350   HG11  VAL  48          HG11      VAL  48  -3.940  -4.829  10.368
  351   HG12  VAL  48          HG12      VAL  48  -3.223  -3.314  10.912
  352   HG13  VAL  48          HG13      VAL  48  -2.580  -4.852  11.492
  353   HG21  VAL  48          HG21      VAL  48  -1.310  -6.313   9.990
  354   HG22  VAL  48          HG22      VAL  48  -0.982  -5.823   8.326
  355   HG23  VAL  48          HG23      VAL  48  -2.608  -6.319   8.795
  356    H    ALA  49           HN       ALA  49  -1.105  -1.623   8.326
  357    HA   ALA  49           HA       ALA  49  -2.965   0.048   9.798
  358    HB1  ALA  49           HB1      ALA  49  -0.117   0.631   9.021
  359    HB2  ALA  49           HB2      ALA  49  -0.641  -0.078  10.550
  360    HB3  ALA  49           HB3      ALA  49  -1.113   1.571  10.130
  361    H    ALA  50           HN       ALA  50  -1.769  -0.264   6.564
  362    HA   ALA  50           HA       ALA  50  -2.505   2.357   5.693
  363    HB1  ALA  50           HB1      ALA  50  -2.133   1.455   3.429
  364    HB2  ALA  50           HB2      ALA  50  -1.998  -0.170   4.101
  365    HB3  ALA  50           HB3      ALA  50  -0.792   1.053   4.503
  366    H    GLU  51           HN       GLU  51  -3.844  -0.898   5.192
  367    HA   GLU  51           HA       GLU  51  -6.249  -0.220   4.121
  368    HB2  GLU  51           HB2      GLU  51  -5.214  -2.516   5.727
  369    HB3  GLU  51           HB1      GLU  51  -6.928  -2.449   5.353
  370    HG2  GLU  51           HG2      GLU  51  -5.258  -3.741   3.815
  371    HG3  GLU  51           HG1      GLU  51  -6.591  -2.833   3.104
  372    H    GLU  52           HN       GLU  52  -5.196  -0.075   7.393
  373    HA   GLU  52           HA       GLU  52  -7.704   0.202   8.691
  374    HB2  GLU  52           HB2      GLU  52  -5.413  -0.355   9.692
  375    HB3  GLU  52           HB1      GLU  52  -5.091   1.366   9.646
  376    HG2  GLU  52           HG2      GLU  52  -5.785   0.736  11.846
  377    HG3  GLU  52           HG1      GLU  52  -7.039   1.733  11.110
  378    H    ARG  53           HN       ARG  53  -5.743   2.337   6.830
  379    HA   ARG  53           HA       ARG  53  -6.778   4.845   7.862
  380    HB2  ARG  53           HB2      ARG  53  -4.472   4.785   7.118
  381    HB3  ARG  53           HB1      ARG  53  -4.939   4.149   5.559
  382    HG2  ARG  53           HG2      ARG  53  -4.339   6.417   5.211
  383    HG3  ARG  53           HG1      ARG  53  -6.095   6.361   5.122
  384    HD2  ARG  53           HD2      ARG  53  -4.509   7.201   7.553
  385    HD3  ARG  53           HD1      ARG  53  -5.196   8.313   6.374
  386    HE   ARG  53           HE       ARG  53  -7.366   7.422   7.004
  387   HH11  ARG  53          HH11      ARG  53  -4.643   7.411   9.298
  388   HH12  ARG  53          HH12      ARG  53  -5.584   7.146  10.678
  389   HH21  ARG  53          HH21      ARG  53  -8.696   7.087   8.930
  390   HH22  ARG  53          HH22      ARG  53  -7.966   6.928  10.471
  391    H    PHE  54           HN       PHE  54  -7.141   2.837   4.978
  392    HA   PHE  54           HA       PHE  54  -8.863   4.786   3.630
  393    HB2  PHE  54           HB2      PHE  54  -8.445   1.962   2.705
  394    HB3  PHE  54           HB1      PHE  54  -8.747   3.407   1.753
  395    HD1  PHE  54           HD1      PHE  54  -6.754   5.263   2.501
  396    HD2  PHE  54           HD2      PHE  54  -6.475   1.038   2.177
  397    HE1  PHE  54           HE1      PHE  54  -4.365   5.482   2.105
  398    HE2  PHE  54           HE2      PHE  54  -4.038   1.235   1.777
  399    HZ   PHE  54           HZ       PHE  54  -2.979   3.462   1.756
  400    H    ASP  55           HN       ASP  55  -9.290   2.550   5.947
  401    HA   ASP  55           HA       ASP  55 -10.789   1.110   6.662
  402    HB2  ASP  55           HB2      ASP  55 -12.258   3.037   6.982
  403    HB3  ASP  55           HB1      ASP  55 -12.778   2.960   5.300
  404    H    VAL  56           HN       VAL  56  -9.683  -0.234   5.323
  405    HA   VAL  56           HA       VAL  56 -11.486  -1.757   3.726
  406    HB   VAL  56           HB       VAL  56 -10.331  -0.323   2.047
  407   HG11  VAL  56          HG11      VAL  56  -8.335   0.194   3.204
  408   HG12  VAL  56          HG12      VAL  56  -7.956  -0.519   1.628
  409   HG13  VAL  56          HG13      VAL  56  -7.791  -1.480   3.096
  410   HG21  VAL  56          HG21      VAL  56  -9.386  -3.188   1.899
  411   HG22  VAL  56          HG22      VAL  56  -9.405  -2.048   0.552
  412   HG23  VAL  56          HG23      VAL  56 -10.920  -2.557   1.297
  413    H    LYS  57           HN       LYS  57 -10.136  -3.858   3.231
  414    HA   LYS  57           HA       LYS  57  -8.437  -4.565   5.460
  415    HB2  LYS  57           HB2      LYS  57 -11.142  -5.883   5.023
  416    HB3  LYS  57           HB1      LYS  57  -9.875  -6.584   6.000
  417    HG2  LYS  57           HG2      LYS  57 -11.352  -5.660   7.558
  418    HG3  LYS  57           HG1      LYS  57 -10.079  -4.454   7.443
  419    HD2  LYS  57           HD2      LYS  57 -11.515  -3.111   5.942
  420    HD3  LYS  57           HD1      LYS  57 -12.782  -4.334   6.076
  421    HE2  LYS  57           HE2      LYS  57 -12.834  -3.953   8.523
  422    HE3  LYS  57           HE1      LYS  57 -11.639  -2.679   8.330
  423    HZ1  LYS  57           HZ1      LYS  57 -13.994  -1.960   8.516
  424    HZ2  LYS  57           HZ2      LYS  57 -14.310  -2.616   7.007
  425    HZ3  LYS  57           HZ3      LYS  57 -13.228  -1.321   7.183
  426    H    ILE  58           HN       ILE  58  -6.820  -5.289   4.178
  427    HA   ILE  58           HA       ILE  58  -7.529  -7.356   2.217
  428    HB   ILE  58           HB       ILE  58  -5.247  -5.351   1.907
  429   HG12  ILE  58          HG12      ILE  58  -7.896  -5.363   0.435
  430   HG13  ILE  58          HG11      ILE  58  -7.517  -4.273   1.761
  431   HG21  ILE  58          HG21      ILE  58  -5.003  -7.566   0.779
  432   HG22  ILE  58          HG22      ILE  58  -5.137  -6.220  -0.357
  433   HG23  ILE  58          HG23      ILE  58  -6.535  -7.250  -0.055
  434   HD11  ILE  58          HD11      ILE  58  -6.077  -4.402  -0.884
  435   HD12  ILE  58          HD12      ILE  58  -5.718  -3.298   0.443
  436   HD13  ILE  58          HD13      ILE  58  -7.262  -3.190  -0.398
  437    HA   PRO  59           HA       PRO  59  -4.768  -9.495   5.000
  438    HB2  PRO  59           HB2      PRO  59  -5.246 -11.847   3.361
  439    HB3  PRO  59           HB1      PRO  59  -5.761 -11.517   5.018
  440    HG2  PRO  59           HG2      PRO  59  -7.473 -11.643   2.890
  441    HG3  PRO  59           HG1      PRO  59  -7.791 -10.725   4.370
  442    HD2  PRO  59           HD2      PRO  59  -6.881  -9.749   1.695
  443    HD3  PRO  59           HD1      PRO  59  -7.958  -8.994   2.880
  444    H    ASP  60           HN       ASP  60  -2.774 -10.653   4.831
  445    HA   ASP  60           HA       ASP  60  -0.972  -9.559   3.070
  446    HB2  ASP  60           HB2      ASP  60   0.699 -11.161   3.823
  447    HB3  ASP  60           HB1      ASP  60  -0.228 -10.527   5.173
  448    H    ASP  61           HN       ASP  61  -2.574 -12.699   2.670
  449    HA   ASP  61           HA       ASP  61  -0.992 -13.424   0.425
  450    HB2  ASP  61           HB2      ASP  61  -3.663 -14.424   1.367
  451    HB3  ASP  61           HB1      ASP  61  -2.970 -14.972  -0.153
  452    H    ASP  62           HN       ASP  62  -3.749 -11.423   0.691
  453    HA   ASP  62           HA       ASP  62  -4.186 -11.457  -2.149
  454    HB2  ASP  62           HB2      ASP  62  -5.496  -9.919   0.079
  455    HB3  ASP  62           HB1      ASP  62  -5.837  -9.581  -1.612
  456    H    VAL  63           HN       VAL  63  -2.549  -9.434   0.162
  457    HA   VAL  63           HA       VAL  63  -2.259  -7.272  -1.672
  458    HB   VAL  63           HB       VAL  63  -2.223  -6.918   0.808
  459   HG11  VAL  63          HG11      VAL  63  -0.156  -7.230   2.056
  460   HG12  VAL  63          HG12      VAL  63   0.541  -8.067   0.668
  461   HG13  VAL  63          HG13      VAL  63  -0.849  -8.755   1.505
  462   HG21  VAL  63          HG21      VAL  63  -0.477  -5.190   0.815
  463   HG22  VAL  63          HG22      VAL  63  -1.470  -5.159  -0.639
  464   HG23  VAL  63          HG23      VAL  63   0.155  -5.847  -0.697
  465    H    LYS  64           HN       LYS  64  -0.561 -10.166  -1.170
  466    HA   LYS  64           HA       LYS  64   2.020  -9.565  -2.108
  467    HB2  LYS  64           HB2      LYS  64   0.459 -12.143  -2.290
  468    HB3  LYS  64           HB1      LYS  64   2.175 -12.000  -2.647
  469    HG2  LYS  64           HG2      LYS  64   2.681 -11.452  -0.412
  470    HG3  LYS  64           HG1      LYS  64   0.978 -11.236  -0.009
  471    HD2  LYS  64           HD2      LYS  64   0.644 -13.667  -0.504
  472    HD3  LYS  64           HD1      LYS  64   2.396 -13.813  -0.677
  473    HE2  LYS  64           HE2      LYS  64   2.738 -13.087   1.587
  474    HE3  LYS  64           HE1      LYS  64   1.023 -12.740   1.775
  475    HZ1  LYS  64           HZ1      LYS  64   2.243 -15.429   1.409
  476    HZ2  LYS  64           HZ2      LYS  64   0.577 -15.142   1.558
  477    HZ3  LYS  64           HZ3      LYS  64   1.630 -14.758   2.828
  478    H    ASN  65           HN       ASN  65  -0.740  -9.206  -3.813
  479    HA   ASN  65           HA       ASN  65   0.431  -9.933  -6.406
  480    HB2  ASN  65           HB2      ASN  65  -2.417  -9.710  -5.482
  481    HB3  ASN  65           HB1      ASN  65  -1.995  -9.713  -7.195
  482   HD21  ASN  65          HD21      ASN  65  -3.355 -11.684  -5.283
  483   HD22  ASN  65          HD22      ASN  65  -2.562 -13.164  -5.613
  484    H    LEU  66           HN       LEU  66   0.360  -7.319  -4.555
  485    HA   LEU  66           HA       LEU  66  -0.523  -5.459  -6.587
  486    HB2  LEU  66           HB2      LEU  66   0.482  -5.170  -3.790
  487    HB3  LEU  66           HB1      LEU  66   0.210  -3.759  -4.763
  488    HG   LEU  66           HG       LEU  66  -1.820  -5.775  -3.788
  489   HD11  LEU  66          HD11      LEU  66  -2.783  -3.868  -2.635
  490   HD12  LEU  66          HD12      LEU  66  -1.521  -2.823  -3.284
  491   HD13  LEU  66          HD13      LEU  66  -1.104  -4.116  -2.158
  492   HD21  LEU  66          HD21      LEU  66  -3.522  -4.431  -4.916
  493   HD22  LEU  66          HD22      LEU  66  -2.384  -5.135  -6.068
  494   HD23  LEU  66          HD23      LEU  66  -2.259  -3.432  -5.629
  495    H    LYS  67           HN       LYS  67   0.876  -3.804  -7.388
  496    HA   LYS  67           HA       LYS  67   3.657  -4.298  -6.801
  497    HB2  LYS  67           HB2      LYS  67   4.539  -4.174  -9.025
  498    HB3  LYS  67           HB1      LYS  67   3.266  -5.378  -9.025
  499    HG2  LYS  67           HG2      LYS  67   3.034  -2.585 -10.131
  500    HG3  LYS  67           HG1      LYS  67   3.465  -3.996 -11.077
  501    HD2  LYS  67           HD2      LYS  67   0.849  -3.542  -9.640
  502    HD3  LYS  67           HD1      LYS  67   1.130  -3.304 -11.353
  503    HE2  LYS  67           HE2      LYS  67   0.070  -5.391 -11.246
  504    HE3  LYS  67           HE1      LYS  67   1.772  -5.790 -11.427
  505    HZ1  LYS  67           HZ1      LYS  67   1.881  -6.314  -9.061
  506    HZ2  LYS  67           HZ2      LYS  67   0.637  -7.157  -9.779
  507    HZ3  LYS  67           HZ3      LYS  67   0.272  -5.782  -8.863
  508    H    THR  68           HN       THR  68   1.753  -1.858  -8.623
  509    HA   THR  68           HA       THR  68   3.472   0.125  -7.363
  510    HB   THR  68           HB       THR  68   2.377   1.663  -8.989
  511    HG1  THR  68           HG1      THR  68   1.158   0.596 -10.672
  512   HG21  THR  68          HG21      THR  68   3.468   0.771 -10.998
  513   HG22  THR  68          HG22      THR  68   3.592  -0.812 -10.232
  514   HG23  THR  68          HG23      THR  68   4.496   0.557  -9.581
  515    H    VAL  69           HN       VAL  69   2.150   2.212  -6.785
  516    HA   VAL  69           HA       VAL  69  -0.083   1.265  -5.281
  517    HB   VAL  69           HB       VAL  69  -0.426   3.424  -4.332
  518   HG11  VAL  69          HG11      VAL  69   2.496   2.854  -4.488
  519   HG12  VAL  69          HG12      VAL  69   1.301   2.173  -3.369
  520   HG13  VAL  69          HG13      VAL  69   1.692   3.890  -3.297
  521   HG21  VAL  69          HG21      VAL  69  -0.143   4.786  -6.276
  522   HG22  VAL  69          HG22      VAL  69   1.596   4.484  -6.261
  523   HG23  VAL  69          HG23      VAL  69   0.838   5.385  -4.944
  524    H    GLY  70           HN       GLY  70   0.383   2.334  -8.385
  525    HA2  GLY  70           HA2      GLY  70  -2.205   3.380  -8.894
  526    HA3  GLY  70           HA1      GLY  70  -1.129   2.639 -10.091
  527    H    ASP  71           HN       ASP  71  -0.696   0.194  -9.197
  528    HA   ASP  71           HA       ASP  71  -2.970  -1.314  -9.821
  529    HB2  ASP  71           HB2      ASP  71  -0.656  -2.095 -10.055
  530    HB3  ASP  71           HB1      ASP  71  -0.459  -2.051  -8.316
  531    H    ALA  72           HN       ALA  72  -1.492  -0.379  -6.777
  532    HA   ALA  72           HA       ALA  72  -3.179  -1.816  -5.057
  533    HB1  ALA  72           HB1      ALA  72  -1.726   0.755  -4.480
  534    HB2  ALA  72           HB2      ALA  72  -1.044  -0.867  -4.354
  535    HB3  ALA  72           HB3      ALA  72  -2.363  -0.380  -3.288
  536    H    THR  73           HN       THR  73  -3.388   1.574  -6.152
  537    HA   THR  73           HA       THR  73  -5.441   2.433  -4.602
  538    HB   THR  73           HB       THR  73  -4.883   3.212  -7.491
  539    HG1  THR  73           HG1      THR  73  -3.161   3.650  -6.106
  540   HG21  THR  73          HG21      THR  73  -6.438   4.725  -5.392
  541   HG22  THR  73          HG22      THR  73  -7.162   3.913  -6.782
  542   HG23  THR  73          HG23      THR  73  -6.077   5.286  -7.021
  543    H    LYS  74           HN       LYS  74  -5.840   1.170  -7.932
  544    HA   LYS  74           HA       LYS  74  -8.652   1.129  -8.003
  545    HB2  LYS  74           HB2      LYS  74  -6.621  -0.497  -9.540
  546    HB3  LYS  74           HB1      LYS  74  -8.342  -0.627  -9.827
  547    HG2  LYS  74           HG2      LYS  74  -7.329   0.758 -11.483
  548    HG3  LYS  74           HG1      LYS  74  -8.402   1.726 -10.467
  549    HD2  LYS  74           HD2      LYS  74  -6.478   2.623  -9.264
  550    HD3  LYS  74           HD1      LYS  74  -5.392   1.586 -10.181
  551    HE2  LYS  74           HE2      LYS  74  -7.124   3.754 -11.367
  552    HE3  LYS  74           HE1      LYS  74  -5.425   3.948 -10.950
  553    HZ1  LYS  74           HZ1      LYS  74  -6.497   2.038 -12.987
  554    HZ2  LYS  74           HZ2      LYS  74  -4.871   2.230 -12.541
  555    HZ3  LYS  74           HZ3      LYS  74  -5.677   3.483 -13.293
  556    H    TYR  75           HN       TYR  75  -6.354  -1.157  -6.842
  557    HA   TYR  75           HA       TYR  75  -8.039  -3.392  -6.676
  558    HB2  TYR  75           HB2      TYR  75  -5.602  -3.563  -6.780
  559    HB3  TYR  75           HB1      TYR  75  -5.463  -2.728  -5.243
  560    HD1  TYR  75           HD2      TYR  75  -5.994  -3.901  -3.163
  561    HD2  TYR  75           HD1      TYR  75  -6.129  -5.882  -6.917
  562    HE1  TYR  75           HE2      TYR  75  -5.950  -6.053  -2.016
  563    HE2  TYR  75           HE1      TYR  75  -6.082  -8.053  -5.779
  564    HH   TYR  75           HH       TYR  75  -5.267  -8.906  -3.506
  565    H    ILE  76           HN       ILE  76  -6.757  -1.090  -4.306
  566    HA   ILE  76           HA       ILE  76  -8.119  -1.976  -2.045
  567    HB   ILE  76           HB       ILE  76  -7.013   0.758  -2.762
  568   HG12  ILE  76          HG12      ILE  76  -5.933  -1.431  -0.970
  569   HG13  ILE  76          HG11      ILE  76  -5.407  -1.128  -2.619
  570   HG21  ILE  76          HG21      ILE  76  -7.146   1.300  -0.370
  571   HG22  ILE  76          HG22      ILE  76  -7.971  -0.231  -0.070
  572   HG23  ILE  76          HG23      ILE  76  -8.746   1.009  -1.060
  573   HD11  ILE  76          HD11      ILE  76  -3.843  -0.234  -1.009
  574   HD12  ILE  76          HD12      ILE  76  -5.119   0.761  -0.297
  575   HD13  ILE  76          HD13      ILE  76  -4.583   1.058  -1.953
  576    H    LEU  77           HN       LEU  77  -8.934   0.530  -4.431
  577    HA   LEU  77           HA       LEU  77 -11.268   1.442  -3.350
  578    HB2  LEU  77           HB2      LEU  77 -10.601   1.068  -6.264
  579    HB3  LEU  77           HB1      LEU  77 -12.010   1.941  -5.705
  580    HG   LEU  77           HG       LEU  77  -9.139   2.707  -5.177
  581   HD11  LEU  77          HD11      LEU  77  -9.604   4.569  -6.678
  582   HD12  LEU  77          HD12      LEU  77 -11.212   3.920  -6.991
  583   HD13  LEU  77          HD13      LEU  77  -9.782   3.020  -7.498
  584   HD21  LEU  77          HD21      LEU  77 -10.631   3.372  -3.361
  585   HD22  LEU  77          HD22      LEU  77 -11.704   4.155  -4.521
  586   HD23  LEU  77          HD23      LEU  77 -10.066   4.767  -4.272
  587    H    ASP  78           HN       ASP  78 -10.802  -1.464  -5.303
  588    HA   ASP  78           HA       ASP  78 -13.609  -2.046  -5.508
  589    HB2  ASP  78           HB2      ASP  78 -11.930  -2.820  -7.188
  590    HB3  ASP  78           HB1      ASP  78 -11.280  -3.920  -5.976
  591    H    HIS  79           HN       HIS  79 -10.990  -3.034  -3.439
  592    HA   HIS  79           HA       HIS  79 -12.476  -5.094  -2.095
  593    HB2  HIS  79           HB2      HIS  79  -9.781  -3.913  -1.657
  594    HB3  HIS  79           HB1      HIS  79 -10.521  -4.870  -0.381
  595    HD1  HIS  79           HD1      HIS  79 -10.301  -7.346  -0.559
  596    HD2  HIS  79           HD2      HIS  79  -9.494  -5.429  -4.160
  597    HE1  HIS  79           HE1      HIS  79  -9.371  -9.098  -2.059
  598    HE2  HIS  79           HE2      HIS  79  -9.223  -8.014  -4.285
  599    H    GLN  80           HN       GLN  80 -12.113  -1.700  -1.571
  600    HA   GLN  80           HA       GLN  80 -13.010  -1.887   1.177
  601    HB2  GLN  80           HB2      GLN  80 -12.704   0.486   1.276
  602    HB3  GLN  80           HB1      GLN  80 -11.286  -0.234   0.530
  603    HG2  GLN  80           HG2      GLN  80 -12.093   0.441  -1.671
  604    HG3  GLN  80           HG1      GLN  80 -13.537   1.124  -0.935
  605   HE21  GLN  80          HE21      GLN  80 -10.353   1.412   0.488
  606   HE22  GLN  80          HE22      GLN  80 -10.191   3.104   0.193
  607    H    ALA  81           HN       ALA  81 -14.840  -0.849   1.908
  608    HA   ALA  81           HA       ALA  81 -16.905  -0.374  -0.077
  609    HB1  ALA  81           HB1      ALA  81 -17.081  -0.766   2.928
  610    HB2  ALA  81           HB2      ALA  81 -17.528  -1.954   1.705
  611    HB3  ALA  81           HB3      ALA  81 -18.454  -0.460   1.865
  612    H2   SOO 101           H2A      SOO 101   4.206  -5.646  -0.593
  613    H3   SOO 101           H3A      SOO 101   2.179  -3.637  -1.642
  614    H4   SOO 101           H4A      SOO 101   3.764  -4.116   0.952
  615    H4A  SOO 101           H4B      SOO 101   3.781  -2.594   0.064
  616    H5   SOO 101           H5A      SOO 101   2.285  -2.357   1.919
  617    H5A  SOO 101           H5B      SOO 101   1.459  -3.854   1.513
  618    H6   SOO 101           H6A      SOO 101   0.680  -2.829  -0.592
  619    H6A  SOO 101           H6B      SOO 101   1.424  -1.308  -0.095
  620    H7   SOO 101           H7A      SOO 101  -0.028  -1.178   1.840
  621    H7A  SOO 101           H7B      SOO 101  -0.714  -2.770   1.463
  622    H8   SOO 101           H8C      SOO 101  -1.570  -1.876  -0.651
  623    H8A  SOO 101           H8A      SOO 101  -0.880  -0.300  -0.267
  624    H8B  SOO 101           H8B      SOO 101  -2.181  -0.954   0.725
  625    H28  SOO 101          H28A      SOO 101  12.024 -11.245   1.199
  626   H28A  SOO 101          H28B      SOO 101  10.619 -10.217   1.454
  627    H30  SOO 101          H30A      SOO 101   8.810 -10.041  -0.086
  628   H30A  SOO 101          H30B      SOO 101   8.851 -10.832  -1.661
  629   H30B  SOO 101          H30C      SOO 101   9.921  -9.470  -1.332
  630    H31  SOO 101          H31A      SOO 101  10.902 -12.139  -2.340
  631   H31A  SOO 101          H31B      SOO 101  12.246 -12.291  -1.209
  632   H31B  SOO 101          H31C      SOO 101  11.890 -10.733  -1.947
  633    H32  SOO 101          H32A      SOO 101   9.283 -13.102  -0.691
  634   HO33  SOO 101          H33A      SOO 101  10.789 -13.692   1.408
  635   HN36  SOO 101          H36A      SOO 101   7.644 -11.358   0.443
  636    H37  SOO 101          H37A      SOO 101   6.339 -12.668   2.387
  637   H37A  SOO 101          H37B      SOO 101   7.400 -11.565   3.279
  638    H38  SOO 101          H38A      SOO 101   5.126 -10.640   2.809
  639   H38A  SOO 101          H38B      SOO 101   6.450  -9.694   2.173
  640   HN41  SOO 101          H41A      SOO 101   5.621  -8.739   0.580
  641    H42  SOO 101          H42A      SOO 101   5.518  -9.571  -1.975
  642   H42A  SOO 101          H42B      SOO 101   3.862  -9.807  -1.407
  643    H43  SOO 101          H43A      SOO 101   5.428  -7.241  -1.287
  644   H43A  SOO 101          H43B      SOO 101   3.784  -7.472  -0.686
  Start of MODEL   10
    1    H1   ALA   1           HT1      ALA   1 -14.076   4.253   4.371
    2    H2   ALA   1           HT2      ALA   1 -13.507   5.865   4.290
    3    H3   ALA   1           HT3      ALA   1 -12.431   4.651   4.579
    4    HA   ALA   1           HA       ALA   1 -12.853   3.775   2.334
    5    HB1  ALA   1           HB1      ALA   1 -15.131   4.650   2.093
    6    HB2  ALA   1           HB2      ALA   1 -14.094   5.227   0.787
    7    HB3  ALA   1           HB3      ALA   1 -14.507   6.299   2.127
    8    H    ALA   2           HN       ALA   2 -12.018   5.326   0.304
    9    HA   ALA   2           HA       ALA   2 -10.417   7.526   1.148
   10    HB1  ALA   2           HB1      ALA   2  -9.038   5.710   2.035
   11    HB2  ALA   2           HB2      ALA   2  -8.240   6.521   0.689
   12    HB3  ALA   2           HB3      ALA   2  -9.007   4.951   0.444
   13    H    THR   3           HN       THR   3  -9.811   8.722  -0.608
   14    HA   THR   3           HA       THR   3 -10.665   7.822  -3.213
   15    HB   THR   3           HB       THR   3  -9.904  10.096  -3.896
   16    HG1  THR   3           HG1      THR   3  -9.544  11.286  -1.587
   17   HG21  THR   3          HG21      THR   3 -11.652  10.053  -1.422
   18   HG22  THR   3          HG22      THR   3 -12.208   9.771  -3.072
   19   HG23  THR   3          HG23      THR   3 -11.586  11.356  -2.609
   20    H    GLN   4           HN       GLN   4  -8.856   8.608  -5.026
   21    HA   GLN   4           HA       GLN   4  -6.622   6.950  -4.746
   22    HB2  GLN   4           HB2      GLN   4  -7.297   7.458  -6.958
   23    HB3  GLN   4           HB1      GLN   4  -7.373   9.176  -6.648
   24    HG2  GLN   4           HG2      GLN   4  -4.746   7.740  -6.593
   25    HG3  GLN   4           HG1      GLN   4  -5.466   8.205  -8.141
   26   HE21  GLN   4          HE21      GLN   4  -2.994   9.126  -6.891
   27   HE22  GLN   4          HE22      GLN   4  -3.145  10.835  -6.680
   28    H    GLU   5           HN       GLU   5  -7.189  10.288  -4.124
   29    HA   GLU   5           HA       GLU   5  -4.562  11.136  -3.666
   30    HB2  GLU   5           HB2      GLU   5  -7.116  12.199  -2.456
   31    HB3  GLU   5           HB1      GLU   5  -5.596  13.067  -2.622
   32    HG2  GLU   5           HG2      GLU   5  -5.800  12.965  -5.058
   33    HG3  GLU   5           HG1      GLU   5  -7.320  12.093  -4.890
   34    H    GLU   6           HN       GLU   6  -7.083   9.908  -1.500
   35    HA   GLU   6           HA       GLU   6  -5.516  10.094   0.865
   36    HB2  GLU   6           HB2      GLU   6  -7.996   8.525   0.251
   37    HB3  GLU   6           HB1      GLU   6  -7.248   8.598   1.838
   38    HG2  GLU   6           HG2      GLU   6  -7.642  10.953   1.964
   39    HG3  GLU   6           HG1      GLU   6  -8.264  10.966   0.310
   40    H    ILE   7           HN       ILE   7  -6.147   7.480  -1.432
   41    HA   ILE   7           HA       ILE   7  -4.877   5.464   0.066
   42    HB   ILE   7           HB       ILE   7  -5.306   5.703  -2.933
   43   HG12  ILE   7          HG12      ILE   7  -6.686   4.015  -0.833
   44   HG13  ILE   7          HG11      ILE   7  -7.315   5.518  -1.494
   45   HG21  ILE   7          HG21      ILE   7  -4.768   3.306  -3.084
   46   HG22  ILE   7          HG22      ILE   7  -4.329   3.296  -1.374
   47   HG23  ILE   7          HG23      ILE   7  -3.378   4.238  -2.523
   48   HD11  ILE   7          HD11      ILE   7  -7.437   4.490  -3.699
   49   HD12  ILE   7          HD12      ILE   7  -8.374   3.590  -2.507
   50   HD13  ILE   7          HD13      ILE   7  -6.800   2.987  -3.033
   51    H    VAL   8           HN       VAL   8  -3.619   7.339  -2.682
   52    HA   VAL   8           HA       VAL   8  -1.011   6.375  -2.599
   53    HB   VAL   8           HB       VAL   8  -2.119   9.020  -3.586
   54   HG11  VAL   8          HG11      VAL   8   0.305   9.208  -3.233
   55   HG12  VAL   8          HG12      VAL   8  -0.103   9.189  -4.951
   56   HG13  VAL   8          HG13      VAL   8   0.550   7.740  -4.183
   57   HG21  VAL   8          HG21      VAL   8  -1.498   6.408  -4.919
   58   HG22  VAL   8          HG22      VAL   8  -1.908   7.882  -5.771
   59   HG23  VAL   8          HG23      VAL   8  -3.087   7.135  -4.682
   60    H    ALA   9           HN       ALA   9  -2.132   9.548  -1.334
   61    HA   ALA   9           HA       ALA   9   0.322  10.131  -0.072
   62    HB1  ALA   9           HB1      ALA   9  -1.294  11.860  -0.691
   63    HB2  ALA   9           HB2      ALA   9  -0.884  11.957   1.025
   64    HB3  ALA   9           HB3      ALA   9  -2.417  11.242   0.516
   65    H    GLY  10           HN       GLY  10  -2.614   8.551   1.061
   66    HA2  GLY  10           HA2      GLY  10  -1.967   8.509   3.825
   67    HA3  GLY  10           HA1      GLY  10  -3.157   7.511   3.003
   68    H    LEU  11           HN       LEU  11  -1.326   6.327   1.152
   69    HA   LEU  11           HA       LEU  11  -0.379   4.172   2.634
   70    HB2  LEU  11           HB2      LEU  11  -0.575   4.959  -0.053
   71    HB3  LEU  11           HB1      LEU  11   1.103   4.510   0.192
   72    HG   LEU  11           HG       LEU  11  -1.276   2.758   0.895
   73   HD11  LEU  11          HD11      LEU  11  -0.733   1.476  -1.098
   74   HD12  LEU  11          HD12      LEU  11   0.507   2.657  -1.520
   75   HD13  LEU  11          HD13      LEU  11  -1.193   3.130  -1.500
   76   HD21  LEU  11          HD21      LEU  11   1.667   2.140   0.684
   77   HD22  LEU  11          HD22      LEU  11   0.387   0.971   1.014
   78   HD23  LEU  11          HD23      LEU  11   0.732   2.253   2.176
   79    H    ALA  12           HN       ALA  12   1.217   6.980   1.294
   80    HA   ALA  12           HA       ALA  12   3.826   6.356   2.092
   81    HB1  ALA  12           HB1      ALA  12   3.292   8.059   0.453
   82    HB2  ALA  12           HB2      ALA  12   4.327   8.670   1.748
   83    HB3  ALA  12           HB3      ALA  12   2.605   9.073   1.729
   84    H    GLU  13           HN       GLU  13   1.197   7.925   3.769
   85    HA   GLU  13           HA       GLU  13   2.502   8.920   6.028
   86    HB2  GLU  13           HB2      GLU  13  -0.223   7.602   5.921
   87    HB3  GLU  13           HB1      GLU  13   0.356   8.654   7.195
   88    HG2  GLU  13           HG2      GLU  13  -0.082   9.478   4.335
   89    HG3  GLU  13           HG1      GLU  13  -1.215   9.744   5.657
   90    H    ILE  14           HN       ILE  14   0.975   5.754   5.534
   91    HA   ILE  14           HA       ILE  14   1.941   4.696   8.000
   92    HB   ILE  14           HB       ILE  14   0.605   3.318   5.640
   93   HG12  ILE  14          HG12      ILE  14  -1.198   2.846   7.360
   94   HG13  ILE  14          HG11      ILE  14  -0.337   3.899   8.460
   95   HG21  ILE  14          HG21      ILE  14   2.130   1.707   6.588
   96   HG22  ILE  14          HG22      ILE  14   0.464   1.269   6.965
   97   HG23  ILE  14          HG23      ILE  14   1.485   2.005   8.201
   98   HD11  ILE  14          HD11      ILE  14  -2.226   5.012   7.435
   99   HD12  ILE  14          HD12      ILE  14  -1.550   4.696   5.832
  100   HD13  ILE  14          HD13      ILE  14  -0.707   5.768   6.946
  101    H    VAL  15           HN       VAL  15   3.014   4.424   4.655
  102    HA   VAL  15           HA       VAL  15   5.038   2.549   4.993
  103    HB   VAL  15           HB       VAL  15   4.795   4.839   3.009
  104   HG11  VAL  15          HG11      VAL  15   7.170   4.357   3.300
  105   HG12  VAL  15          HG12      VAL  15   6.600   3.808   1.726
  106   HG13  VAL  15          HG13      VAL  15   6.869   2.641   3.027
  107   HG21  VAL  15          HG21      VAL  15   4.509   1.852   2.726
  108   HG22  VAL  15          HG22      VAL  15   4.327   3.033   1.431
  109   HG23  VAL  15          HG23      VAL  15   3.191   3.023   2.781
  110    H    ASN  16           HN       ASN  16   5.049   5.992   5.587
  111    HA   ASN  16           HA       ASN  16   7.817   6.246   6.081
  112    HB2  ASN  16           HB2      ASN  16   6.183   8.089   5.526
  113    HB3  ASN  16           HB1      ASN  16   5.612   7.974   7.183
  114   HD21  ASN  16          HD21      ASN  16   8.263   8.814   5.132
  115   HD22  ASN  16          HD22      ASN  16   9.105   9.792   6.281
  116    H    GLU  17           HN       GLU  17   5.160   5.156   8.022
  117    HA   GLU  17           HA       GLU  17   6.511   5.429  10.565
  118    HB2  GLU  17           HB2      GLU  17   4.112   3.725   9.859
  119    HB3  GLU  17           HB1      GLU  17   4.620   4.205  11.467
  120    HG2  GLU  17           HG2      GLU  17   3.695   6.060   9.322
  121    HG3  GLU  17           HG1      GLU  17   2.658   5.435  10.605
  122    H    ILE  18           HN       ILE  18   5.471   2.733   8.518
  123    HA   ILE  18           HA       ILE  18   6.625   0.629  10.055
  124    HB   ILE  18           HB       ILE  18   5.866   0.617   7.135
  125   HG12  ILE  18          HG12      ILE  18   3.985   1.336   8.565
  126   HG13  ILE  18          HG11      ILE  18   3.706  -0.246   7.851
  127   HG21  ILE  18          HG21      ILE  18   5.595  -1.810   7.446
  128   HG22  ILE  18          HG22      ILE  18   6.191  -1.656   9.099
  129   HG23  ILE  18          HG23      ILE  18   7.255  -1.285   7.742
  130   HD11  ILE  18          HD11      ILE  18   4.550   0.299  10.688
  131   HD12  ILE  18          HD12      ILE  18   4.288  -1.296   9.970
  132   HD13  ILE  18          HD13      ILE  18   2.938  -0.173  10.132
  133    H    ALA  19           HN       ALA  19   7.617   2.106   6.976
  134    HA   ALA  19           HA       ALA  19  10.132   0.598   7.176
  135    HB1  ALA  19           HB1      ALA  19  10.361   0.869   4.770
  136    HB2  ALA  19           HB2      ALA  19   8.899   1.853   4.730
  137    HB3  ALA  19           HB3      ALA  19   8.803   0.148   5.169
  138    H    GLY  20           HN       GLY  20   8.823   3.794   6.644
  139    HA2  GLY  20           HA2      GLY  20   9.884   5.789   7.298
  140    HA3  GLY  20           HA1      GLY  20  11.408   4.911   7.423
  141    H    ILE  21           HN       ILE  21   9.019   5.381   4.861
  142    HA   ILE  21           HA       ILE  21  11.216   6.162   3.077
  143    HB   ILE  21           HB       ILE  21   8.549   4.846   2.424
  144   HG12  ILE  21          HG12      ILE  21  10.078   3.242   3.387
  145   HG13  ILE  21          HG11      ILE  21   9.912   2.919   1.669
  146   HG21  ILE  21          HG21      ILE  21  10.736   5.622   0.499
  147   HG22  ILE  21          HG22      ILE  21   9.134   6.349   0.618
  148   HG23  ILE  21          HG23      ILE  21   9.304   4.670   0.099
  149   HD11  ILE  21          HD11      ILE  21  12.065   4.006   1.262
  150   HD12  ILE  21          HD12      ILE  21  12.215   2.668   2.401
  151   HD13  ILE  21          HD13      ILE  21  12.224   4.330   2.988
  152    HA   PRO  22           HA       PRO  22   9.767  10.367   2.858
  153    HB2  PRO  22           HB2      PRO  22   9.884   9.737  -0.068
  154    HB3  PRO  22           HB1      PRO  22  10.423  11.189   0.787
  155    HG2  PRO  22           HG2      PRO  22  12.164   9.306   0.075
  156    HG3  PRO  22           HG1      PRO  22  12.319  10.161   1.619
  157    HD2  PRO  22           HD2      PRO  22  11.519   7.370   1.085
  158    HD3  PRO  22           HD1      PRO  22  12.202   8.087   2.559
  159    H    VAL  23           HN       VAL  23   7.856  11.268   2.929
  160    HA   VAL  23           HA       VAL  23   5.516   9.697   2.395
  161    HB   VAL  23           HB       VAL  23   4.236  11.663   3.282
  162   HG11  VAL  23          HG11      VAL  23   4.985   9.865   4.750
  163   HG12  VAL  23          HG12      VAL  23   5.064  11.424   5.571
  164   HG13  VAL  23          HG13      VAL  23   6.537  10.673   4.958
  165   HG21  VAL  23          HG21      VAL  23   5.544  13.492   4.298
  166   HG22  VAL  23          HG22      VAL  23   5.756  13.386   2.539
  167   HG23  VAL  23          HG23      VAL  23   7.007  12.767   3.604
  168    H    GLU  24           HN       GLU  24   7.230  11.607   0.378
  169    HA   GLU  24           HA       GLU  24   4.852  12.270  -1.243
  170    HB2  GLU  24           HB2      GLU  24   7.683  13.267  -1.457
  171    HB3  GLU  24           HB1      GLU  24   6.353  13.730  -2.494
  172    HG2  GLU  24           HG2      GLU  24   5.254  14.798  -0.627
  173    HG3  GLU  24           HG1      GLU  24   6.567  14.284   0.445
  174    H    ASP  25           HN       ASP  25   7.024   9.878  -0.831
  175    HA   ASP  25           HA       ASP  25   7.858   9.773  -3.616
  176    HB2  ASP  25           HB2      ASP  25   9.542   9.643  -1.876
  177    HB3  ASP  25           HB1      ASP  25   8.824   8.169  -1.254
  178    H    VAL  26           HN       VAL  26   5.450   8.407  -1.661
  179    HA   VAL  26           HA       VAL  26   5.413   5.895  -3.067
  180    HB   VAL  26           HB       VAL  26   3.629   6.979  -0.838
  181   HG11  VAL  26          HG11      VAL  26   2.495   5.267  -2.158
  182   HG12  VAL  26          HG12      VAL  26   2.884   4.668  -0.543
  183   HG13  VAL  26          HG13      VAL  26   3.862   4.176  -1.922
  184   HG21  VAL  26          HG21      VAL  26   4.867   5.462   0.645
  185   HG22  VAL  26          HG22      VAL  26   5.919   6.683  -0.073
  186   HG23  VAL  26          HG23      VAL  26   5.933   5.035  -0.695
  187    H    LYS  27           HN       LYS  27   5.180   7.125  -4.950
  188    HA   LYS  27           HA       LYS  27   2.651   8.498  -5.437
  189    HB2  LYS  27           HB2      LYS  27   5.088   8.212  -7.211
  190    HB3  LYS  27           HB1      LYS  27   3.663   9.215  -7.466
  191    HG2  LYS  27           HG2      LYS  27   4.211  10.624  -5.640
  192    HG3  LYS  27           HG1      LYS  27   5.557   9.578  -5.177
  193    HD2  LYS  27           HD2      LYS  27   6.716  10.078  -7.234
  194    HD3  LYS  27           HD1      LYS  27   5.337  11.002  -7.828
  195    HE2  LYS  27           HE2      LYS  27   7.033  11.698  -5.428
  196    HE3  LYS  27           HE1      LYS  27   7.133  12.462  -7.013
  197    HZ1  LYS  27           HZ1      LYS  27   4.830  13.207  -6.730
  198    HZ2  LYS  27           HZ2      LYS  27   5.808  13.818  -5.502
  199    HZ3  LYS  27           HZ3      LYS  27   4.773  12.534  -5.188
  200    H    LEU  28           HN       LEU  28   1.504   8.011  -7.461
  201    HA   LEU  28           HA       LEU  28   0.663   5.389  -7.721
  202    HB2  LEU  28           HB2      LEU  28   0.469   7.700  -9.620
  203    HB3  LEU  28           HB1      LEU  28  -0.223   6.137 -10.004
  204    HG   LEU  28           HG       LEU  28  -0.988   7.733  -7.551
  205   HD11  LEU  28          HD11      LEU  28  -2.392   7.479 -10.206
  206   HD12  LEU  28          HD12      LEU  28  -1.613   8.944  -9.586
  207   HD13  LEU  28          HD13      LEU  28  -3.028   8.275  -8.766
  208   HD21  LEU  28          HD21      LEU  28  -2.257   5.379  -8.930
  209   HD22  LEU  28          HD22      LEU  28  -2.873   6.206  -7.497
  210   HD23  LEU  28          HD23      LEU  28  -1.354   5.316  -7.419
  211    H    ASP  29           HN       ASP  29   3.308   6.924  -9.282
  212    HA   ASP  29           HA       ASP  29   3.625   4.840 -11.304
  213    HB2  ASP  29           HB2      ASP  29   5.348   7.246 -10.719
  214    HB3  ASP  29           HB1      ASP  29   5.465   6.204 -12.126
  215    H    LYS  30           HN       LYS  30   4.208   4.532  -8.185
  216    HA   LYS  30           HA       LYS  30   7.010   3.716  -8.472
  217    HB2  LYS  30           HB2      LYS  30   5.587   4.728  -6.001
  218    HB3  LYS  30           HB1      LYS  30   7.272   4.249  -6.102
  219    HG2  LYS  30           HG2      LYS  30   6.157   6.502  -7.747
  220    HG3  LYS  30           HG1      LYS  30   6.719   6.742  -6.099
  221    HD2  LYS  30           HD2      LYS  30   8.416   5.600  -8.320
  222    HD3  LYS  30           HD1      LYS  30   8.386   7.308  -7.885
  223    HE2  LYS  30           HE2      LYS  30   9.061   6.636  -5.560
  224    HE3  LYS  30           HE1      LYS  30   9.264   4.991  -6.157
  225    HZ1  LYS  30           HZ1      LYS  30  10.952   5.914  -7.769
  226    HZ2  LYS  30           HZ2      LYS  30  11.392   6.064  -6.179
  227    HZ3  LYS  30           HZ3      LYS  30  10.787   7.404  -6.987
  228    H    SER  31           HN       SER  31   7.373   1.637  -8.090
  229    HA   SER  31           HA       SER  31   5.225  -0.097  -7.304
  230    HB2  SER  31           HB2      SER  31   6.790  -0.559  -9.215
  231    HB3  SER  31           HB1      SER  31   8.109  -0.682  -8.058
  232    HG   SER  31           HG       SER  31   6.950  -2.637  -8.833
  233    H    PHE  32           HN       PHE  32   5.125  -1.137  -5.405
  234    HA   PHE  32           HA       PHE  32   6.150  -0.050  -3.072
  235    HB2  PHE  32           HB2      PHE  32   5.113  -2.839  -3.490
  236    HB3  PHE  32           HB1      PHE  32   5.520  -2.179  -1.917
  237    HD1  PHE  32           HD1      PHE  32   4.306  -0.003  -1.268
  238    HD2  PHE  32           HD2      PHE  32   3.004  -2.669  -4.301
  239    HE1  PHE  32           HE1      PHE  32   2.021   0.855  -1.028
  240    HE2  PHE  32           HE2      PHE  32   0.715  -1.808  -4.085
  241    HZ   PHE  32           HZ       PHE  32   0.219  -0.049  -2.443
  242    H    THR  33           HN       THR  33   7.087  -3.367  -4.041
  243    HA   THR  33           HA       THR  33   9.381  -3.008  -2.348
  244    HB   THR  33           HB       THR  33   9.807  -5.450  -2.798
  245    HG1  THR  33           HG1      THR  33   8.374  -5.238  -4.863
  246   HG21  THR  33          HG21      THR  33   8.552  -4.703  -0.831
  247   HG22  THR  33          HG22      THR  33   7.902  -6.223  -1.448
  248   HG23  THR  33          HG23      THR  33   7.061  -4.707  -1.775
  249    H    ASP  34           HN       ASP  34   9.475  -1.444  -4.666
  250    HA   ASP  34           HA       ASP  34  12.041  -2.381  -5.667
  251    HB2  ASP  34           HB2      ASP  34  10.480  -3.237  -7.346
  252    HB3  ASP  34           HB1      ASP  34   9.828  -1.614  -7.572
  253    H    ASP  35           HN       ASP  35   9.667   0.208  -6.315
  254    HA   ASP  35           HA       ASP  35  11.807   2.114  -6.617
  255    HB2  ASP  35           HB2      ASP  35   8.806   2.484  -6.608
  256    HB3  ASP  35           HB1      ASP  35   9.961   3.769  -6.893
  257    H    LEU  36           HN       LEU  36   9.232   1.409  -4.369
  258    HA   LEU  36           HA       LEU  36   9.888   3.620  -2.643
  259    HB2  LEU  36           HB2      LEU  36   8.150   1.227  -2.085
  260    HB3  LEU  36           HB1      LEU  36   8.164   2.738  -1.200
  261    HG   LEU  36           HG       LEU  36   7.238   2.342  -4.033
  262   HD11  LEU  36          HD11      LEU  36   5.044   2.900  -3.136
  263   HD12  LEU  36          HD12      LEU  36   5.728   2.974  -1.511
  264   HD13  LEU  36          HD13      LEU  36   5.700   1.444  -2.387
  265   HD21  LEU  36          HD21      LEU  36   6.544   4.674  -3.905
  266   HD22  LEU  36          HD22      LEU  36   8.288   4.476  -3.772
  267   HD23  LEU  36          HD23      LEU  36   7.325   4.815  -2.325
  268    H    ASP  37           HN       ASP  37  10.011   0.146  -2.478
  269    HA   ASP  37           HA       ASP  37  11.091  -1.364  -1.314
  270    HB2  ASP  37           HB2      ASP  37  13.236  -0.396  -2.001
  271    HB3  ASP  37           HB1      ASP  37  13.145   0.785  -0.695
  272    H    VAL  38           HN       VAL  38   9.699  -1.860   0.061
  273    HA   VAL  38           HA       VAL  38   9.321  -0.111   2.406
  274    HB   VAL  38           HB       VAL  38   7.377  -2.254   1.496
  275   HG11  VAL  38          HG11      VAL  38   7.001   0.256   3.111
  276   HG12  VAL  38          HG12      VAL  38   7.053  -1.393   3.731
  277   HG13  VAL  38          HG13      VAL  38   5.731  -0.888   2.677
  278   HG21  VAL  38          HG21      VAL  38   6.091  -0.541   0.294
  279   HG22  VAL  38          HG22      VAL  38   7.686  -0.770  -0.420
  280   HG23  VAL  38          HG23      VAL  38   7.371   0.633   0.602
  281    H    ASP  39           HN       ASP  39  11.456  -1.826   2.114
  282    HA   ASP  39           HA       ASP  39  12.757  -3.267   3.242
  283    HB2  ASP  39           HB2      ASP  39  11.622  -2.158   5.247
  284    HB3  ASP  39           HB1      ASP  39  10.524  -3.533   5.256
  285    H    SER  40           HN       SER  40  10.185  -3.967   1.673
  286    HA   SER  40           HA       SER  40   9.230  -5.646   0.643
  287    HB2  SER  40           HB2      SER  40  11.328  -6.210  -0.197
  288    HB3  SER  40           HB1      SER  40  11.874  -6.926   1.327
  289    H    LEU  41           HN       LEU  41  10.630  -7.538   3.321
  290    HA   LEU  41           HA       LEU  41   8.225  -8.994   3.555
  291    HB2  LEU  41           HB2      LEU  41   9.212  -9.934   5.660
  292    HB3  LEU  41           HB1      LEU  41  10.197 -10.120   4.232
  293    HG   LEU  41           HG       LEU  41  11.554  -8.132   5.083
  294   HD11  LEU  41          HD11      LEU  41   9.958  -7.261   6.673
  295   HD12  LEU  41          HD12      LEU  41  11.478  -7.665   7.473
  296   HD13  LEU  41          HD13      LEU  41  10.074  -8.731   7.638
  297   HD21  LEU  41          HD21      LEU  41  11.501 -10.670   6.699
  298   HD22  LEU  41          HD22      LEU  41  12.846  -9.526   6.614
  299   HD23  LEU  41          HD23      LEU  41  12.353 -10.415   5.175
  300    H    SER  42           HN       SER  42   9.367  -6.132   5.025
  301    HA   SER  42           HA       SER  42   7.454  -6.043   7.103
  302    HB2  SER  42           HB2      SER  42   9.175  -3.834   5.977
  303    HB3  SER  42           HB1      SER  42   8.245  -3.746   7.472
  304    HG   SER  42           HG       SER  42  10.636  -5.091   6.933
  305    H    MET  43           HN       MET  43   7.119  -5.529   3.787
  306    HA   MET  43           HA       MET  43   5.508  -3.299   3.826
  307    HB2  MET  43           HB2      MET  43   4.831  -3.780   1.540
  308    HB3  MET  43           HB1      MET  43   6.441  -4.377   1.697
  309    HG2  MET  43           HG2      MET  43   5.219  -5.942   0.416
  310    HG3  MET  43           HG1      MET  43   5.522  -6.681   1.984
  311    HE1  MET  43           HE1      MET  43   3.693  -8.480   1.374
  312    HE2  MET  43           HE2      MET  43   3.329  -7.680  -0.170
  313    HE3  MET  43           HE3      MET  43   2.018  -8.102   0.952
  314    H    VAL  44           HN       VAL  44   4.888  -6.563   4.666
  315    HA   VAL  44           HA       VAL  44   2.109  -6.574   4.401
  316    HB   VAL  44           HB       VAL  44   3.796  -8.375   6.183
  317   HG11  VAL  44          HG11      VAL  44   1.951  -9.972   6.015
  318   HG12  VAL  44          HG12      VAL  44   1.009  -8.791   5.102
  319   HG13  VAL  44          HG13      VAL  44   1.428  -8.474   6.784
  320   HG21  VAL  44          HG21      VAL  44   3.715  -9.953   4.313
  321   HG22  VAL  44          HG22      VAL  44   4.489  -8.426   3.860
  322   HG23  VAL  44          HG23      VAL  44   2.829  -8.765   3.355
  323    H    GLU  45           HN       GLU  45   4.184  -5.279   6.805
  324    HA   GLU  45           HA       GLU  45   2.149  -5.159   8.800
  325    HB2  GLU  45           HB2      GLU  45   4.849  -3.798   8.689
  326    HB3  GLU  45           HB1      GLU  45   3.776  -3.779  10.081
  327    HG2  GLU  45           HG2      GLU  45   3.923  -6.273  10.128
  328    HG3  GLU  45           HG1      GLU  45   5.135  -6.165   8.861
  329    H    VAL  46           HN       VAL  46   3.309  -3.229   6.188
  330    HA   VAL  46           HA       VAL  46   2.114  -0.729   6.876
  331    HB   VAL  46           HB       VAL  46   2.680  -1.892   4.117
  332   HG11  VAL  46          HG11      VAL  46   2.209   0.983   4.928
  333   HG12  VAL  46          HG12      VAL  46   1.106  -0.019   3.992
  334   HG13  VAL  46          HG13      VAL  46   2.667   0.434   3.319
  335   HG21  VAL  46          HG21      VAL  46   4.674  -1.775   5.467
  336   HG22  VAL  46          HG22      VAL  46   4.344  -0.086   5.845
  337   HG23  VAL  46          HG23      VAL  46   4.726  -0.564   4.188
  338    H    VAL  47           HN       VAL  47   1.125  -3.509   4.999
  339    HA   VAL  47           HA       VAL  47  -1.295  -2.849   3.961
  340    HB   VAL  47           HB       VAL  47  -0.687  -5.482   5.340
  341   HG11  VAL  47          HG11      VAL  47  -2.282  -6.437   3.742
  342   HG12  VAL  47          HG12      VAL  47  -2.629  -4.822   3.128
  343   HG13  VAL  47          HG13      VAL  47  -3.046  -5.242   4.789
  344   HG21  VAL  47          HG21      VAL  47   0.073  -6.238   3.136
  345   HG22  VAL  47          HG22      VAL  47   1.049  -4.899   3.742
  346   HG23  VAL  47          HG23      VAL  47  -0.167  -4.611   2.502
  347    H    VAL  48           HN       VAL  48  -0.953  -4.372   7.162
  348    HA   VAL  48           HA       VAL  48  -3.549  -4.280   8.072
  349    HB   VAL  48           HB       VAL  48  -1.057  -3.840   9.738
  350   HG11  VAL  48          HG11      VAL  48  -3.776  -4.880  10.542
  351   HG12  VAL  48          HG12      VAL  48  -3.091  -3.318  10.985
  352   HG13  VAL  48          HG13      VAL  48  -2.351  -4.803  11.579
  353   HG21  VAL  48          HG21      VAL  48  -1.106  -6.257  10.055
  354   HG22  VAL  48          HG22      VAL  48  -0.902  -5.825   8.358
  355   HG23  VAL  48          HG23      VAL  48  -2.471  -6.375   8.947
  356    H    ALA  49           HN       ALA  49  -1.120  -1.739   8.571
  357    HA   ALA  49           HA       ALA  49  -2.935  -0.068   9.999
  358    HB1  ALA  49           HB1      ALA  49  -0.276   0.666   8.786
  359    HB2  ALA  49           HB2      ALA  49  -0.530   0.028  10.414
  360    HB3  ALA  49           HB3      ALA  49  -1.188   1.606   9.972
  361    H    ALA  50           HN       ALA  50  -1.984  -0.359   6.660
  362    HA   ALA  50           HA       ALA  50  -3.241   2.023   5.765
  363    HB1  ALA  50           HB1      ALA  50  -3.103   1.007   3.526
  364    HB2  ALA  50           HB2      ALA  50  -2.672  -0.540   4.256
  365    HB3  ALA  50           HB3      ALA  50  -1.574   0.834   4.389
  366    H    GLU  51           HN       GLU  51  -4.250  -1.333   6.142
  367    HA   GLU  51           HA       GLU  51  -6.847  -1.162   5.172
  368    HB2  GLU  51           HB2      GLU  51  -5.818  -2.803   7.478
  369    HB3  GLU  51           HB1      GLU  51  -7.376  -3.027   6.705
  370    HG2  GLU  51           HG2      GLU  51  -6.243  -3.607   4.627
  371    HG3  GLU  51           HG1      GLU  51  -4.683  -3.403   5.438
  372    H    GLU  52           HN       GLU  52  -5.532  -0.653   8.356
  373    HA   GLU  52           HA       GLU  52  -7.853  -0.042   9.740
  374    HB2  GLU  52           HB2      GLU  52  -5.592  -0.581  10.683
  375    HB3  GLU  52           HB1      GLU  52  -5.100   1.058  10.289
  376    HG2  GLU  52           HG2      GLU  52  -5.683   0.887  12.619
  377    HG3  GLU  52           HG1      GLU  52  -6.839   1.925  11.780
  378    H    ARG  53           HN       ARG  53  -5.944   1.830   7.590
  379    HA   ARG  53           HA       ARG  53  -6.940   4.410   8.443
  380    HB2  ARG  53           HB2      ARG  53  -4.632   4.182   7.694
  381    HB3  ARG  53           HB1      ARG  53  -5.180   3.622   6.124
  382    HG2  ARG  53           HG2      ARG  53  -4.498   5.915   5.973
  383    HG3  ARG  53           HG1      ARG  53  -6.245   5.813   5.755
  384    HD2  ARG  53           HD2      ARG  53  -6.578   6.477   8.080
  385    HD3  ARG  53           HD1      ARG  53  -4.829   6.561   8.309
  386    HE   ARG  53           HE       ARG  53  -6.465   8.326   6.651
  387   HH11  ARG  53          HH11      ARG  53  -3.442   7.686   8.416
  388   HH12  ARG  53          HH12      ARG  53  -2.748   9.198   8.053
  389   HH21  ARG  53          HH21      ARG  53  -5.501  10.403   6.153
  390   HH22  ARG  53          HH22      ARG  53  -3.955  10.783   6.714
  391    H    PHE  54           HN       PHE  54  -7.136   2.442   5.468
  392    HA   PHE  54           HA       PHE  54  -9.030   4.321   4.278
  393    HB2  PHE  54           HB2      PHE  54  -8.226   1.649   3.146
  394    HB3  PHE  54           HB1      PHE  54  -8.872   3.033   2.285
  395    HD1  PHE  54           HD1      PHE  54  -7.282   5.209   3.092
  396    HD2  PHE  54           HD2      PHE  54  -6.108   1.193   2.395
  397    HE1  PHE  54           HE1      PHE  54  -4.976   5.975   2.528
  398    HE2  PHE  54           HE2      PHE  54  -3.827   1.925   1.846
  399    HZ   PHE  54           HZ       PHE  54  -3.218   4.252   1.984
  400    H    ASP  55           HN       ASP  55  -9.283   1.785   6.378
  401    HA   ASP  55           HA       ASP  55 -10.871   0.386   7.126
  402    HB2  ASP  55           HB2      ASP  55 -12.427   2.408   6.948
  403    HB3  ASP  55           HB1      ASP  55 -12.817   1.850   5.320
  404    H    VAL  56           HN       VAL  56  -9.323   0.045   4.745
  405    HA   VAL  56           HA       VAL  56 -10.965  -1.608   3.048
  406    HB   VAL  56           HB       VAL  56  -9.053  -0.118   2.153
  407   HG11  VAL  56          HG11      VAL  56  -6.823  -1.081   2.020
  408   HG12  VAL  56          HG12      VAL  56  -7.314  -2.360   3.107
  409   HG13  VAL  56          HG13      VAL  56  -7.279  -0.681   3.683
  410   HG21  VAL  56          HG21      VAL  56 -10.141  -1.717   0.714
  411   HG22  VAL  56          HG22      VAL  56  -9.092  -3.003   1.310
  412   HG23  VAL  56          HG23      VAL  56  -8.413  -1.673   0.373
  413    H    LYS  57           HN       LYS  57  -9.991  -3.740   2.536
  414    HA   LYS  57           HA       LYS  57  -8.833  -5.111   4.838
  415    HB2  LYS  57           HB2      LYS  57 -11.513  -5.804   3.639
  416    HB3  LYS  57           HB1      LYS  57 -10.457  -7.094   4.183
  417    HG2  LYS  57           HG2      LYS  57 -12.027  -6.654   5.914
  418    HG3  LYS  57           HG1      LYS  57 -10.462  -6.071   6.448
  419    HD2  LYS  57           HD2      LYS  57 -12.165  -4.510   7.109
  420    HD3  LYS  57           HD1      LYS  57 -11.180  -3.771   5.848
  421    HE2  LYS  57           HE2      LYS  57 -12.879  -4.184   4.206
  422    HE3  LYS  57           HE1      LYS  57 -13.827  -5.125   5.361
  423    HZ1  LYS  57           HZ1      LYS  57 -14.111  -3.148   6.688
  424    HZ2  LYS  57           HZ2      LYS  57 -14.714  -2.896   5.125
  425    HZ3  LYS  57           HZ3      LYS  57 -13.238  -2.210   5.578
  426    H    ILE  58           HN       ILE  58  -7.088  -5.926   4.055
  427    HA   ILE  58           HA       ILE  58  -7.280  -7.449   1.588
  428    HB   ILE  58           HB       ILE  58  -4.861  -5.649   1.988
  429   HG12  ILE  58          HG12      ILE  58  -7.258  -5.016   0.229
  430   HG13  ILE  58          HG11      ILE  58  -6.883  -4.183   1.731
  431   HG21  ILE  58          HG21      ILE  58  -4.552  -6.117  -0.399
  432   HG22  ILE  58          HG22      ILE  58  -6.078  -6.993  -0.415
  433   HG23  ILE  58          HG23      ILE  58  -4.710  -7.634   0.509
  434   HD11  ILE  58          HD11      ILE  58  -6.185  -2.886  -0.198
  435   HD12  ILE  58          HD12      ILE  58  -5.162  -4.220  -0.739
  436   HD13  ILE  58          HD13      ILE  58  -4.795  -3.379   0.769
  437    HA   PRO  59           HA       PRO  59  -5.240  -9.894   4.865
  438    HB2  PRO  59           HB2      PRO  59  -5.812 -12.047   2.903
  439    HB3  PRO  59           HB1      PRO  59  -6.230 -11.931   4.620
  440    HG2  PRO  59           HG2      PRO  59  -8.081 -11.666   2.698
  441    HG3  PRO  59           HG1      PRO  59  -8.161 -10.780   4.231
  442    HD2  PRO  59           HD2      PRO  59  -7.339  -9.833   1.527
  443    HD3  PRO  59           HD1      PRO  59  -8.240  -8.981   2.801
  444    H    ASP  60           HN       ASP  60  -3.239 -11.133   4.818
  445    HA   ASP  60           HA       ASP  60  -1.317 -10.026   3.095
  446    HB2  ASP  60           HB2      ASP  60   0.307 -11.616   3.922
  447    HB3  ASP  60           HB1      ASP  60  -0.600 -10.902   5.254
  448    H    ASP  61           HN       ASP  61  -2.990 -13.054   2.861
  449    HA   ASP  61           HA       ASP  61  -1.479 -14.007   0.659
  450    HB2  ASP  61           HB2      ASP  61  -2.756 -15.546   2.058
  451    HB3  ASP  61           HB1      ASP  61  -4.261 -14.772   1.572
  452    H    ASP  62           HN       ASP  62  -4.041 -11.764   0.927
  453    HA   ASP  62           HA       ASP  62  -4.859 -11.959  -1.863
  454    HB2  ASP  62           HB2      ASP  62  -6.419 -11.406   0.140
  455    HB3  ASP  62           HB1      ASP  62  -5.616  -9.838   0.116
  456    H    VAL  63           HN       VAL  63  -2.975  -9.844   0.300
  457    HA   VAL  63           HA       VAL  63  -2.683  -7.740  -1.520
  458    HB   VAL  63           HB       VAL  63  -2.464  -7.452   0.943
  459   HG11  VAL  63          HG11      VAL  63   0.196  -8.774   0.619
  460   HG12  VAL  63          HG12      VAL  63  -1.199  -9.386   1.501
  461   HG13  VAL  63          HG13      VAL  63  -0.366  -7.933   2.069
  462   HG21  VAL  63          HG21      VAL  63  -0.071  -6.509  -0.611
  463   HG22  VAL  63          HG22      VAL  63  -0.628  -5.841   0.924
  464   HG23  VAL  63          HG23      VAL  63  -1.637  -5.705  -0.517
  465    H    LYS  64           HN       LYS  64  -1.142 -10.727  -1.346
  466    HA   LYS  64           HA       LYS  64   1.446 -10.330  -2.197
  467    HB2  LYS  64           HB2      LYS  64  -0.237 -12.598  -3.258
  468    HB3  LYS  64           HB1      LYS  64   1.501 -12.563  -3.063
  469    HG2  LYS  64           HG2      LYS  64   1.024 -12.362  -0.564
  470    HG3  LYS  64           HG1      LYS  64  -0.629 -12.819  -0.980
  471    HD2  LYS  64           HD2      LYS  64   1.893 -14.423  -1.420
  472    HD3  LYS  64           HD1      LYS  64   0.547 -14.808  -0.358
  473    HE2  LYS  64           HE2      LYS  64   0.393 -14.687  -3.376
  474    HE3  LYS  64           HE1      LYS  64   0.627 -16.159  -2.450
  475    HZ1  LYS  64           HZ1      LYS  64  -1.651 -15.876  -3.127
  476    HZ2  LYS  64           HZ2      LYS  64  -1.790 -14.406  -2.310
  477    HZ3  LYS  64           HZ3      LYS  64  -1.562 -15.838  -1.458
  478    H    ASN  65           HN       ASN  65  -1.261  -9.389  -3.974
  479    HA   ASN  65           HA       ASN  65  -0.159 -10.080  -6.593
  480    HB2  ASN  65           HB2      ASN  65  -2.934  -9.188  -5.820
  481    HB3  ASN  65           HB1      ASN  65  -2.396  -9.585  -7.443
  482   HD21  ASN  65          HD21      ASN  65  -3.460 -10.824  -4.383
  483   HD22  ASN  65          HD22      ASN  65  -3.521 -12.479  -4.869
  484    H    LEU  66           HN       LEU  66   0.292  -7.573  -4.602
  485    HA   LEU  66           HA       LEU  66  -0.582  -5.520  -6.449
  486    HB2  LEU  66           HB2      LEU  66   0.856  -5.158  -3.822
  487    HB3  LEU  66           HB1      LEU  66   0.098  -3.901  -4.776
  488    HG   LEU  66           HG       LEU  66  -1.226  -6.083  -3.193
  489   HD11  LEU  66          HD11      LEU  66  -2.319  -4.243  -2.070
  490   HD12  LEU  66          HD12      LEU  66  -1.404  -3.096  -3.056
  491   HD13  LEU  66          HD13      LEU  66  -0.565  -4.170  -1.930
  492   HD21  LEU  66          HD21      LEU  66  -2.390  -5.890  -5.335
  493   HD22  LEU  66          HD22      LEU  66  -2.601  -4.151  -5.067
  494   HD23  LEU  66          HD23      LEU  66  -3.365  -5.323  -3.986
  495    H    LYS  67           HN       LYS  67   1.000  -3.663  -6.889
  496    HA   LYS  67           HA       LYS  67   3.699  -4.613  -7.341
  497    HB2  LYS  67           HB2      LYS  67   2.488  -5.134  -9.369
  498    HB3  LYS  67           HB1      LYS  67   1.787  -3.529  -9.402
  499    HG2  LYS  67           HG2      LYS  67   4.189  -2.693  -9.608
  500    HG3  LYS  67           HG1      LYS  67   4.581  -4.371 -10.013
  501    HD2  LYS  67           HD2      LYS  67   2.938  -4.335 -11.809
  502    HD3  LYS  67           HD1      LYS  67   2.523  -2.668 -11.364
  503    HE2  LYS  67           HE2      LYS  67   4.724  -1.947 -11.863
  504    HE3  LYS  67           HE1      LYS  67   5.226  -3.596 -12.251
  505    HZ1  LYS  67           HZ1      LYS  67   4.733  -2.416 -14.298
  506    HZ2  LYS  67           HZ2      LYS  67   3.201  -1.974 -13.722
  507    HZ3  LYS  67           HZ3      LYS  67   3.533  -3.585 -14.043
  508    H    THR  68           HN       THR  68   1.811  -1.810  -8.537
  509    HA   THR  68           HA       THR  68   3.649  -0.078  -7.055
  510    HB   THR  68           HB       THR  68   2.960   1.701  -8.594
  511    HG1  THR  68           HG1      THR  68   1.300  -0.284  -9.831
  512   HG21  THR  68          HG21      THR  68   3.829   0.825 -10.723
  513   HG22  THR  68          HG22      THR  68   3.636  -0.821 -10.118
  514   HG23  THR  68          HG23      THR  68   4.796   0.270  -9.358
  515    H    VAL  69           HN       VAL  69   2.293   2.137  -6.630
  516    HA   VAL  69           HA       VAL  69   0.036   1.178  -5.201
  517    HB   VAL  69           HB       VAL  69  -0.327   3.291  -4.184
  518   HG11  VAL  69          HG11      VAL  69   1.790   3.719  -3.105
  519   HG12  VAL  69          HG12      VAL  69   2.581   2.667  -4.297
  520   HG13  VAL  69          HG13      VAL  69   1.338   2.022  -3.209
  521   HG21  VAL  69          HG21      VAL  69   0.986   5.274  -4.676
  522   HG22  VAL  69          HG22      VAL  69  -0.010   4.760  -6.033
  523   HG23  VAL  69          HG23      VAL  69   1.723   4.429  -6.036
  524    H    GLY  70           HN       GLY  70   0.553   2.164  -8.302
  525    HA2  GLY  70           HA2      GLY  70  -1.937   3.401  -8.852
  526    HA3  GLY  70           HA1      GLY  70  -0.901   2.558 -10.013
  527    H    ASP  71           HN       ASP  71  -0.663   0.163  -8.948
  528    HA   ASP  71           HA       ASP  71  -2.974  -1.328  -9.560
  529    HB2  ASP  71           HB2      ASP  71  -0.700  -2.102  -7.704
  530    HB3  ASP  71           HB1      ASP  71  -1.850  -3.217  -8.407
  531    H    ALA  72           HN       ALA  72  -1.455  -0.497  -6.496
  532    HA   ALA  72           HA       ALA  72  -3.274  -1.670  -4.769
  533    HB1  ALA  72           HB1      ALA  72  -2.347  -0.346  -3.014
  534    HB2  ALA  72           HB2      ALA  72  -1.703   0.811  -4.168
  535    HB3  ALA  72           HB3      ALA  72  -1.046  -0.831  -4.105
  536    H    THR  73           HN       THR  73  -3.319   1.628  -6.057
  537    HA   THR  73           HA       THR  73  -5.390   2.570  -4.522
  538    HB   THR  73           HB       THR  73  -4.726   3.342  -7.382
  539    HG1  THR  73           HG1      THR  73  -3.020   3.654  -5.868
  540   HG21  THR  73          HG21      THR  73  -5.861   5.471  -6.852
  541   HG22  THR  73          HG22      THR  73  -6.313   4.831  -5.274
  542   HG23  THR  73          HG23      THR  73  -6.977   4.110  -6.739
  543    H    LYS  74           HN       LYS  74  -5.549   1.004  -7.722
  544    HA   LYS  74           HA       LYS  74  -8.367   1.165  -8.050
  545    HB2  LYS  74           HB2      LYS  74  -6.628  -1.021  -9.179
  546    HB3  LYS  74           HB1      LYS  74  -8.111  -0.373  -9.845
  547    HG2  LYS  74           HG2      LYS  74  -5.400   0.918  -9.785
  548    HG3  LYS  74           HG1      LYS  74  -6.301   0.360 -11.191
  549    HD2  LYS  74           HD2      LYS  74  -8.045   2.091 -10.591
  550    HD3  LYS  74           HD1      LYS  74  -6.869   2.683  -9.397
  551    HE2  LYS  74           HE2      LYS  74  -6.390   2.467 -12.381
  552    HE3  LYS  74           HE1      LYS  74  -6.760   3.956 -11.517
  553    HZ1  LYS  74           HZ1      LYS  74  -4.406   3.755 -11.922
  554    HZ2  LYS  74           HZ2      LYS  74  -4.321   2.274 -11.140
  555    HZ3  LYS  74           HZ3      LYS  74  -4.721   3.701 -10.272
  556    H    TYR  75           HN       TYR  75  -6.243  -1.010  -6.506
  557    HA   TYR  75           HA       TYR  75  -7.973  -3.263  -6.247
  558    HB2  TYR  75           HB2      TYR  75  -5.412  -3.098  -6.321
  559    HB3  TYR  75           HB1      TYR  75  -5.530  -2.649  -4.630
  560    HD1  TYR  75           HD1      TYR  75  -6.134  -5.286  -7.083
  561    HD2  TYR  75           HD2      TYR  75  -5.904  -4.296  -2.964
  562    HE1  TYR  75           HE1      TYR  75  -6.061  -7.659  -6.542
  563    HE2  TYR  75           HE2      TYR  75  -5.846  -6.639  -2.374
  564    HH   TYR  75           HH       TYR  75  -6.322  -8.791  -3.299
  565    H    ILE  76           HN       ILE  76  -6.720  -0.776  -4.064
  566    HA   ILE  76           HA       ILE  76  -8.148  -1.589  -1.777
  567    HB   ILE  76           HB       ILE  76  -6.840   1.049  -2.497
  568   HG12  ILE  76          HG12      ILE  76  -6.003  -1.159  -0.602
  569   HG13  ILE  76          HG11      ILE  76  -5.360  -0.910  -2.217
  570   HG21  ILE  76          HG21      ILE  76  -8.624   1.494  -0.897
  571   HG22  ILE  76          HG22      ILE  76  -7.043   1.692  -0.132
  572   HG23  ILE  76          HG23      ILE  76  -7.999   0.240   0.175
  573   HD11  ILE  76          HD11      ILE  76  -3.845  -0.089  -0.515
  574   HD12  ILE  76          HD12      ILE  76  -5.104   0.981   0.107
  575   HD13  ILE  76          HD13      ILE  76  -4.447   1.241  -1.510
  576    H    LEU  77           HN       LEU  77  -8.865   0.735  -4.336
  577    HA   LEU  77           HA       LEU  77 -11.116   1.857  -3.235
  578    HB2  LEU  77           HB2      LEU  77 -10.463   1.315  -6.116
  579    HB3  LEU  77           HB1      LEU  77 -11.890   2.207  -5.632
  580    HG   LEU  77           HG       LEU  77  -9.064   3.029  -4.983
  581   HD11  LEU  77          HD11      LEU  77 -10.963   4.055  -7.082
  582   HD12  LEU  77          HD12      LEU  77  -9.492   3.125  -7.376
  583   HD13  LEU  77          HD13      LEU  77  -9.391   4.744  -6.682
  584   HD21  LEU  77          HD21      LEU  77 -10.101   5.151  -4.365
  585   HD22  LEU  77          HD22      LEU  77 -10.717   3.824  -3.381
  586   HD23  LEU  77          HD23      LEU  77 -11.696   4.472  -4.697
  587    H    ASP  78           HN       ASP  78 -10.769  -1.159  -4.947
  588    HA   ASP  78           HA       ASP  78 -13.613  -1.674  -4.953
  589    HB2  ASP  78           HB2      ASP  78 -12.403  -2.446  -6.868
  590    HB3  ASP  78           HB1      ASP  78 -11.256  -3.321  -5.861
  591    H    HIS  79           HN       HIS  79 -10.759  -2.852  -3.256
  592    HA   HIS  79           HA       HIS  79 -12.155  -4.832  -1.736
  593    HB2  HIS  79           HB2      HIS  79  -9.438  -3.975  -2.009
  594    HB3  HIS  79           HB1      HIS  79  -9.850  -4.168  -0.311
  595    HD1  HIS  79           HD1      HIS  79 -11.172  -6.680   0.121
  596    HD2  HIS  79           HD2      HIS  79  -8.560  -6.248  -3.086
  597    HE1  HIS  79           HE1      HIS  79 -10.469  -8.974  -0.483
  598    HE2  HIS  79           HE2      HIS  79  -8.523  -8.548  -2.005
  599    H    GLN  80           HN       GLN  80 -12.168  -1.461  -1.383
  600    HA   GLN  80           HA       GLN  80 -12.349  -1.672   1.469
  601    HB2  GLN  80           HB2      GLN  80 -12.553   0.753   1.581
  602    HB3  GLN  80           HB1      GLN  80 -11.160   0.232   0.650
  603    HG2  GLN  80           HG2      GLN  80 -12.398   0.747  -1.435
  604    HG3  GLN  80           HG1      GLN  80 -13.754   1.313  -0.466
  605   HE21  GLN  80          HE21      GLN  80 -10.381   1.873   0.300
  606   HE22  GLN  80          HE22      GLN  80 -10.411   3.580   0.027
  607    H    ALA  81           HN       ALA  81 -13.958  -2.911   1.769
  608    HA   ALA  81           HA       ALA  81 -16.581  -1.677   1.743
  609    HB1  ALA  81           HB1      ALA  81 -16.023  -4.447   0.632
  610    HB2  ALA  81           HB2      ALA  81 -16.544  -3.048  -0.305
  611    HB3  ALA  81           HB3      ALA  81 -17.624  -3.756   0.895
  612    H2   SOO 101           H2A      SOO 101   4.425  -4.525  -1.344
  613    H3   SOO 101           H3A      SOO 101   1.371  -4.965  -1.556
  614    H4   SOO 101           H4A      SOO 101   2.887  -3.678   0.623
  615    H4A  SOO 101           H4B      SOO 101   2.722  -2.522  -0.702
  616    H5   SOO 101           H5A      SOO 101   0.469  -3.975   0.673
  617    H5A  SOO 101           H5B      SOO 101   0.294  -2.829  -0.658
  618    H6   SOO 101           H6A      SOO 101   1.254  -1.062   0.725
  619    H6A  SOO 101           H6B      SOO 101   1.446  -2.201   2.059
  620    H7   SOO 101           H7A      SOO 101  -0.559  -0.830   2.380
  621    H7A  SOO 101           H7B      SOO 101  -1.003  -2.525   2.118
  622    H8   SOO 101           H8C      SOO 101  -1.037  -0.328   0.040
  623    H8A  SOO 101           H8A      SOO 101  -2.449  -1.016   0.843
  624    H8B  SOO 101           H8B      SOO 101  -1.472  -2.014  -0.239
  625    H28  SOO 101          H28A      SOO 101   9.790 -11.007   2.323
  626   H28A  SOO 101          H28B      SOO 101   9.200  -9.450   1.742
  627    H30  SOO 101          H30A      SOO 101   6.948  -9.966   2.276
  628   H30A  SOO 101          H30B      SOO 101   7.457 -11.517   2.951
  629   H30B  SOO 101          H30C      SOO 101   6.189 -11.456   1.723
  630    H31  SOO 101          H31A      SOO 101   8.342 -10.584  -1.135
  631   H31A  SOO 101          H31B      SOO 101   7.886  -9.293  -0.073
  632   H31B  SOO 101          H31C      SOO 101   6.668 -10.470  -0.522
  633    H32  SOO 101          H32A      SOO 101   9.026 -12.728  -0.304
  634   HO33  SOO 101          H33A      SOO 101   8.872 -14.217   1.671
  635   HN36  SOO 101          H36A      SOO 101   6.505 -12.208  -0.863
  636    H37  SOO 101          H37A      SOO 101   5.092 -14.169  -1.692
  637   H37A  SOO 101          H37B      SOO 101   4.765 -14.382   0.034
  638    H38  SOO 101          H38A      SOO 101   2.994 -13.093  -1.029
  639   H38A  SOO 101          H38B      SOO 101   3.867 -12.116   0.154
  640   HN41  SOO 101          H41A      SOO 101   3.366 -10.187  -0.712
  641    H42  SOO 101          H42A      SOO 101   4.308  -9.563  -3.409
  642   H42A  SOO 101          H42B      SOO 101   3.008  -8.719  -2.568
  643    H43  SOO 101          H43A      SOO 101   5.947  -8.689  -1.844
  644   H43A  SOO 101          H43B      SOO 101   4.649  -7.910  -0.930
  Start of MODEL   11
    1    H1   ALA   1           HT1      ALA   1 -15.730   5.261   2.145
    2    H2   ALA   1           HT2      ALA   1 -14.469   4.200   2.358
    3    H3   ALA   1           HT3      ALA   1 -15.899   3.648   1.629
    4    HA   ALA   1           HA       ALA   1 -14.176   3.989  -0.007
    5    HB1  ALA   1           HB1      ALA   1 -16.474   4.526  -0.671
    6    HB2  ALA   1           HB2      ALA   1 -15.308   5.571  -1.482
    7    HB3  ALA   1           HB3      ALA   1 -16.243   6.186  -0.120
    8    H    ALA   2           HN       ALA   2 -12.714   5.437  -1.040
    9    HA   ALA   2           HA       ALA   2 -12.057   7.958   0.228
   10    HB1  ALA   2           HB1      ALA   2 -10.110   5.644  -0.021
   11    HB2  ALA   2           HB2      ALA   2 -10.706   6.331   1.488
   12    HB3  ALA   2           HB3      ALA   2  -9.670   7.292   0.428
   13    H    THR   3           HN       THR   3 -10.065   8.856  -1.235
   14    HA   THR   3           HA       THR   3 -10.731   8.049  -3.966
   15    HB   THR   3           HB       THR   3 -10.009  10.257  -4.705
   16    HG1  THR   3           HG1      THR   3  -9.535  10.940  -1.983
   17   HG21  THR   3          HG21      THR   3 -12.315  10.104  -3.863
   18   HG22  THR   3          HG22      THR   3 -11.616  11.695  -3.539
   19   HG23  THR   3          HG23      THR   3 -11.734  10.504  -2.244
   20    H    GLN   4           HN       GLN   4  -8.616   8.895  -5.401
   21    HA   GLN   4           HA       GLN   4  -6.582   7.072  -4.794
   22    HB2  GLN   4           HB2      GLN   4  -7.195   7.611  -7.046
   23    HB3  GLN   4           HB1      GLN   4  -6.884   9.302  -6.812
   24    HG2  GLN   4           HG2      GLN   4  -4.584   7.478  -6.434
   25    HG3  GLN   4           HG1      GLN   4  -5.212   7.618  -8.073
   26   HE21  GLN   4          HE21      GLN   4  -3.571   9.262  -5.480
   27   HE22  GLN   4          HE22      GLN   4  -3.064  10.611  -6.444
   28    H    GLU   5           HN       GLU   5  -7.107  10.432  -4.156
   29    HA   GLU   5           HA       GLU   5  -4.446  11.048  -3.431
   30    HB2  GLU   5           HB2      GLU   5  -6.117  12.791  -4.000
   31    HB3  GLU   5           HB1      GLU   5  -6.973  12.429  -2.507
   32    HG2  GLU   5           HG2      GLU   5  -5.038  13.135  -1.211
   33    HG3  GLU   5           HG1      GLU   5  -4.151  13.463  -2.698
   34    H    GLU   6           HN       GLU   6  -7.232   9.917  -1.484
   35    HA   GLU   6           HA       GLU   6  -5.905  10.111   0.997
   36    HB2  GLU   6           HB2      GLU   6  -8.223   8.391   0.151
   37    HB3  GLU   6           HB1      GLU   6  -7.499   8.206   1.737
   38    HG2  GLU   6           HG2      GLU   6  -9.445   9.582   1.887
   39    HG3  GLU   6           HG1      GLU   6  -8.017  10.554   2.216
   40    H    ILE   7           HN       ILE   7  -6.152   7.527  -1.317
   41    HA   ILE   7           HA       ILE   7  -4.804   5.578   0.172
   42    HB   ILE   7           HB       ILE   7  -5.133   5.884  -2.822
   43   HG12  ILE   7          HG12      ILE   7  -6.543   4.174  -0.767
   44   HG13  ILE   7          HG11      ILE   7  -7.186   5.639  -1.495
   45   HG21  ILE   7          HG21      ILE   7  -3.175   4.464  -2.353
   46   HG22  ILE   7          HG22      ILE   7  -4.510   3.506  -2.989
   47   HG23  ILE   7          HG23      ILE   7  -4.150   3.477  -1.262
   48   HD11  ILE   7          HD11      ILE   7  -6.506   3.108  -2.957
   49   HD12  ILE   7          HD12      ILE   7  -7.222   4.564  -3.657
   50   HD13  ILE   7          HD13      ILE   7  -8.119   3.619  -2.471
   51    H    VAL   8           HN       VAL   8  -3.529   7.467  -2.549
   52    HA   VAL   8           HA       VAL   8  -0.887   6.640  -2.318
   53    HB   VAL   8           HB       VAL   8  -2.052   9.198  -3.454
   54   HG11  VAL   8          HG11      VAL   8   0.705   8.030  -3.880
   55   HG12  VAL   8          HG12      VAL   8   0.339   9.518  -3.004
   56   HG13  VAL   8          HG13      VAL   8   0.014   9.410  -4.739
   57   HG21  VAL   8          HG21      VAL   8  -2.869   7.163  -4.469
   58   HG22  VAL   8          HG22      VAL   8  -1.222   6.593  -4.719
   59   HG23  VAL   8          HG23      VAL   8  -1.804   8.014  -5.587
   60    H    ALA   9           HN       ALA   9  -2.320   9.651  -1.019
   61    HA   ALA   9           HA       ALA   9   0.081  10.497   0.223
   62    HB1  ALA   9           HB1      ALA   9  -2.748  11.307   0.882
   63    HB2  ALA   9           HB2      ALA   9  -1.739  12.044  -0.359
   64    HB3  ALA   9           HB3      ALA   9  -1.283  12.171   1.346
   65    H    GLY  10           HN       GLY  10  -2.760   8.747   1.476
   66    HA2  GLY  10           HA2      GLY  10  -1.960   8.732   4.178
   67    HA3  GLY  10           HA1      GLY  10  -3.142   7.667   3.431
   68    H    LEU  11           HN       LEU  11  -1.481   6.463   1.524
   69    HA   LEU  11           HA       LEU  11  -0.342   4.355   2.895
   70    HB2  LEU  11           HB2      LEU  11  -0.487   5.275   0.183
   71    HB3  LEU  11           HB1      LEU  11   1.062   4.518   0.491
   72    HG   LEU  11           HG       LEU  11  -1.654   3.276   0.980
   73   HD11  LEU  11          HD11      LEU  11  -1.098   1.839  -0.910
   74   HD12  LEU  11          HD12      LEU  11   0.397   2.738  -1.164
   75   HD13  LEU  11          HD13      LEU  11  -1.163   3.532  -1.395
   76   HD21  LEU  11          HD21      LEU  11   0.043   2.489   2.543
   77   HD22  LEU  11          HD22      LEU  11   1.129   2.140   1.212
   78   HD23  LEU  11          HD23      LEU  11  -0.370   1.219   1.388
   79    H    ALA  12           HN       ALA  12   1.084   7.264   1.650
   80    HA   ALA  12           HA       ALA  12   3.740   6.507   2.144
   81    HB1  ALA  12           HB1      ALA  12   2.654   9.284   1.942
   82    HB2  ALA  12           HB2      ALA  12   3.030   8.219   0.577
   83    HB3  ALA  12           HB3      ALA  12   4.314   8.720   1.675
   84    H    GLU  13           HN       GLU  13   1.295   7.897   4.148
   85    HA   GLU  13           HA       GLU  13   3.002   8.804   6.239
   86    HB2  GLU  13           HB2      GLU  13   0.132   7.860   6.362
   87    HB3  GLU  13           HB1      GLU  13   0.979   8.655   7.675
   88    HG2  GLU  13           HG2      GLU  13   1.235  10.646   6.206
   89    HG3  GLU  13           HG1      GLU  13   0.223   9.828   5.012
   90    H    ILE  14           HN       ILE  14   1.124   5.876   5.756
   91    HA   ILE  14           HA       ILE  14   2.111   4.493   8.003
   92    HB   ILE  14           HB       ILE  14   0.771   3.499   5.462
   93   HG12  ILE  14          HG12      ILE  14  -1.045   2.800   7.060
   94   HG13  ILE  14          HG11      ILE  14  -0.148   3.572   8.350
   95   HG21  ILE  14          HG21      ILE  14   2.289   1.747   6.123
   96   HG22  ILE  14          HG22      ILE  14   0.623   1.263   6.441
   97   HG23  ILE  14          HG23      ILE  14   1.657   1.785   7.769
   98   HD11  ILE  14          HD11      ILE  14  -2.000   4.935   7.594
   99   HD12  ILE  14          HD12      ILE  14  -1.342   4.944   5.955
  100   HD13  ILE  14          HD13      ILE  14  -0.461   5.730   7.264
  101    H    VAL  15           HN       VAL  15   3.131   4.474   4.613
  102    HA   VAL  15           HA       VAL  15   5.215   2.642   4.921
  103    HB   VAL  15           HB       VAL  15   4.821   4.836   2.857
  104   HG11  VAL  15          HG11      VAL  15   6.538   3.738   1.506
  105   HG12  VAL  15          HG12      VAL  15   6.909   2.654   2.857
  106   HG13  VAL  15          HG13      VAL  15   7.191   4.394   3.005
  107   HG21  VAL  15          HG21      VAL  15   4.504   1.842   2.725
  108   HG22  VAL  15          HG22      VAL  15   4.258   2.966   1.385
  109   HG23  VAL  15          HG23      VAL  15   3.200   3.029   2.797
  110    H    ASN  16           HN       ASN  16   5.007   5.937   5.804
  111    HA   ASN  16           HA       ASN  16   7.845   6.384   5.891
  112    HB2  ASN  16           HB2      ASN  16   6.092   8.186   5.527
  113    HB3  ASN  16           HB1      ASN  16   5.732   8.056   7.243
  114   HD21  ASN  16          HD21      ASN  16   8.095   8.908   4.891
  115   HD22  ASN  16          HD22      ASN  16   9.092   9.898   5.888
  116    H    GLU  17           HN       GLU  17   5.356   5.435   8.154
  117    HA   GLU  17           HA       GLU  17   7.235   5.511  10.329
  118    HB2  GLU  17           HB2      GLU  17   5.394   4.451  11.649
  119    HB3  GLU  17           HB1      GLU  17   5.008   6.046  10.995
  120    HG2  GLU  17           HG2      GLU  17   3.750   4.867   9.202
  121    HG3  GLU  17           HG1      GLU  17   4.106   3.347  10.021
  122    H    ILE  18           HN       ILE  18   5.725   2.999   8.375
  123    HA   ILE  18           HA       ILE  18   6.824   0.791   9.819
  124    HB   ILE  18           HB       ILE  18   5.917   0.879   6.932
  125   HG12  ILE  18          HG12      ILE  18   4.184   1.641   8.586
  126   HG13  ILE  18          HG11      ILE  18   3.719   0.238   7.654
  127   HG21  ILE  18          HG21      ILE  18   5.543  -1.542   7.202
  128   HG22  ILE  18          HG22      ILE  18   6.225  -1.458   8.827
  129   HG23  ILE  18          HG23      ILE  18   7.236  -1.101   7.426
  130   HD11  ILE  18          HD11      ILE  18   3.014   0.022   9.907
  131   HD12  ILE  18          HD12      ILE  18   4.661   0.267  10.517
  132   HD13  ILE  18          HD13      ILE  18   4.253  -1.178   9.566
  133    H    ALA  19           HN       ALA  19   7.738   2.302   6.693
  134    HA   ALA  19           HA       ALA  19  10.226   0.743   6.760
  135    HB1  ALA  19           HB1      ALA  19   8.990   2.236   4.456
  136    HB2  ALA  19           HB2      ALA  19   8.855   0.503   4.748
  137    HB3  ALA  19           HB3      ALA  19  10.425   1.215   4.389
  138    H    GLY  20           HN       GLY  20   9.035   4.008   6.311
  139    HA2  GLY  20           HA2      GLY  20  10.215   5.897   7.198
  140    HA3  GLY  20           HA1      GLY  20  11.717   4.986   7.035
  141    H    ILE  21           HN       ILE  21   9.202   5.184   4.630
  142    HA   ILE  21           HA       ILE  21  11.132   6.409   2.810
  143    HB   ILE  21           HB       ILE  21   8.611   4.801   2.267
  144   HG12  ILE  21          HG12      ILE  21  10.406   3.387   3.017
  145   HG13  ILE  21          HG11      ILE  21  10.177   3.136   1.292
  146   HG21  ILE  21          HG21      ILE  21   8.842   6.468   0.524
  147   HG22  ILE  21          HG22      ILE  21   9.185   4.859  -0.111
  148   HG23  ILE  21          HG23      ILE  21  10.510   5.969   0.242
  149   HD11  ILE  21          HD11      ILE  21  12.344   4.799   2.570
  150   HD12  ILE  21          HD12      ILE  21  12.124   4.560   0.837
  151   HD13  ILE  21          HD13      ILE  21  12.540   3.193   1.869
  152    HA   PRO  22           HA       PRO  22   9.373  10.413   3.008
  153    HB2  PRO  22           HB2      PRO  22   9.323  10.587   0.126
  154    HB3  PRO  22           HB1      PRO  22  10.389  11.401   1.273
  155    HG2  PRO  22           HG2      PRO  22  10.858   8.993  -0.320
  156    HG3  PRO  22           HG1      PRO  22  12.028  10.032   0.512
  157    HD2  PRO  22           HD2      PRO  22  11.426   7.512   1.315
  158    HD3  PRO  22           HD1      PRO  22  11.927   8.779   2.447
  159    H    VAL  23           HN       VAL  23   7.501  11.317   3.029
  160    HA   VAL  23           HA       VAL  23   5.130   9.818   2.471
  161    HB   VAL  23           HB       VAL  23   3.930  11.781   3.399
  162   HG11  VAL  23          HG11      VAL  23   4.856  11.640   5.652
  163   HG12  VAL  23          HG12      VAL  23   6.317  10.888   5.004
  164   HG13  VAL  23          HG13      VAL  23   4.771  10.048   4.895
  165   HG21  VAL  23          HG21      VAL  23   5.341  13.507   2.521
  166   HG22  VAL  23          HG22      VAL  23   6.698  12.899   3.434
  167   HG23  VAL  23          HG23      VAL  23   5.330  13.653   4.296
  168    H    GLU  24           HN       GLU  24   6.801  11.015   0.256
  169    HA   GLU  24           HA       GLU  24   4.591  11.981  -1.376
  170    HB2  GLU  24           HB2      GLU  24   6.112  13.790  -2.257
  171    HB3  GLU  24           HB1      GLU  24   5.519  14.034  -0.619
  172    HG2  GLU  24           HG2      GLU  24   7.634  13.283   0.292
  173    HG3  GLU  24           HG1      GLU  24   8.230  12.935  -1.326
  174    H    ASP  25           HN       ASP  25   6.593   9.665  -0.963
  175    HA   ASP  25           HA       ASP  25   7.642   9.641  -3.704
  176    HB2  ASP  25           HB2      ASP  25   9.371   9.740  -1.998
  177    HB3  ASP  25           HB1      ASP  25   8.745   8.307  -1.229
  178    H    VAL  26           HN       VAL  26   5.415   8.222  -1.584
  179    HA   VAL  26           HA       VAL  26   5.452   5.619  -2.846
  180    HB   VAL  26           HB       VAL  26   3.585   6.775  -0.730
  181   HG11  VAL  26          HG11      VAL  26   4.097   3.898  -1.478
  182   HG12  VAL  26          HG12      VAL  26   2.641   4.824  -1.839
  183   HG13  VAL  26          HG13      VAL  26   3.063   4.459  -0.164
  184   HG21  VAL  26          HG21      VAL  26   4.938   5.576   0.923
  185   HG22  VAL  26          HG22      VAL  26   5.859   6.820   0.081
  186   HG23  VAL  26          HG23      VAL  26   6.076   5.125  -0.347
  187    H    LYS  27           HN       LYS  27   5.109   6.930  -4.825
  188    HA   LYS  27           HA       LYS  27   2.402   7.957  -5.150
  189    HB2  LYS  27           HB2      LYS  27   4.877   8.370  -6.817
  190    HB3  LYS  27           HB1      LYS  27   3.294   9.054  -7.174
  191    HG2  LYS  27           HG2      LYS  27   3.323  10.288  -5.088
  192    HG3  LYS  27           HG1      LYS  27   4.881   9.583  -4.677
  193    HD2  LYS  27           HD2      LYS  27   5.295  11.786  -5.487
  194    HD3  LYS  27           HD1      LYS  27   5.814  10.669  -6.739
  195    HE2  LYS  27           HE2      LYS  27   3.156  12.110  -6.734
  196    HE3  LYS  27           HE1      LYS  27   4.590  12.704  -7.555
  197    HZ1  LYS  27           HZ1      LYS  27   3.116  11.605  -9.064
  198    HZ2  LYS  27           HZ2      LYS  27   3.096  10.200  -8.176
  199    HZ3  LYS  27           HZ3      LYS  27   4.518  10.680  -8.975
  200    H    LEU  28           HN       LEU  28   1.572   7.734  -7.506
  201    HA   LEU  28           HA       LEU  28   0.549   5.217  -7.711
  202    HB2  LEU  28           HB2      LEU  28   0.759   7.322  -9.841
  203    HB3  LEU  28           HB1      LEU  28  -0.162   5.845 -10.037
  204    HG   LEU  28           HG       LEU  28  -0.690   7.942  -7.919
  205   HD11  LEU  28          HD11      LEU  28  -2.715   8.411  -9.190
  206   HD12  LEU  28          HD12      LEU  28  -2.198   7.283 -10.441
  207   HD13  LEU  28          HD13      LEU  28  -1.266   8.758 -10.139
  208   HD21  LEU  28          HD21      LEU  28  -1.301   5.701  -7.214
  209   HD22  LEU  28          HD22      LEU  28  -2.241   5.479  -8.689
  210   HD23  LEU  28          HD23      LEU  28  -2.725   6.694  -7.500
  211    H    ASP  29           HN       ASP  29   3.372   6.374  -9.471
  212    HA   ASP  29           HA       ASP  29   3.498   3.815 -10.891
  213    HB2  ASP  29           HB2      ASP  29   5.028   6.391 -11.291
  214    HB3  ASP  29           HB1      ASP  29   5.274   4.928 -12.239
  215    H    LYS  30           HN       LYS  30   4.220   4.233  -7.980
  216    HA   LYS  30           HA       LYS  30   7.044   3.506  -8.156
  217    HB2  LYS  30           HB2      LYS  30   5.505   4.712  -5.838
  218    HB3  LYS  30           HB1      LYS  30   7.216   4.304  -5.833
  219    HG2  LYS  30           HG2      LYS  30   5.994   6.322  -7.714
  220    HG3  LYS  30           HG1      LYS  30   6.700   6.739  -6.156
  221    HD2  LYS  30           HD2      LYS  30   8.189   5.282  -8.338
  222    HD3  LYS  30           HD1      LYS  30   8.220   7.037  -8.139
  223    HE2  LYS  30           HE2      LYS  30   9.169   6.807  -5.931
  224    HE3  LYS  30           HE1      LYS  30   9.026   5.054  -6.016
  225    HZ1  LYS  30           HZ1      LYS  30  10.728   6.709  -7.800
  226    HZ2  LYS  30           HZ2      LYS  30  10.662   5.006  -7.763
  227    HZ3  LYS  30           HZ3      LYS  30  11.249   5.871  -6.420
  228    H    SER  31           HN       SER  31   7.499   1.488  -7.639
  229    HA   SER  31           HA       SER  31   5.370  -0.243  -6.750
  230    HB2  SER  31           HB2      SER  31   6.838  -0.874  -8.648
  231    HB3  SER  31           HB1      SER  31   8.231  -0.833  -7.575
  232    HG   SER  31           HG       SER  31   6.033  -2.495  -6.917
  233    H    PHE  32           HN       PHE  32   5.310  -1.235  -4.826
  234    HA   PHE  32           HA       PHE  32   6.489  -0.076  -2.575
  235    HB2  PHE  32           HB2      PHE  32   5.201  -2.732  -3.002
  236    HB3  PHE  32           HB1      PHE  32   5.755  -2.223  -1.423
  237    HD1  PHE  32           HD1      PHE  32   4.646  -0.201  -0.389
  238    HD2  PHE  32           HD2      PHE  32   3.200  -2.002  -3.961
  239    HE1  PHE  32           HE1      PHE  32   2.505   0.960  -0.104
  240    HE2  PHE  32           HE2      PHE  32   1.052  -0.843  -3.678
  241    HZ   PHE  32           HZ       PHE  32   0.671   0.569  -1.732
  242    H    THR  33           HN       THR  33   7.028  -3.336  -3.807
  243    HA   THR  33           HA       THR  33   9.461  -3.380  -2.284
  244    HB   THR  33           HB       THR  33   8.051  -5.637  -3.754
  245    HG1  THR  33           HG1      THR  33   6.674  -5.454  -2.142
  246   HG21  THR  33          HG21      THR  33   9.304  -7.025  -2.206
  247   HG22  THR  33          HG22      THR  33   9.974  -5.556  -1.475
  248   HG23  THR  33          HG23      THR  33  10.420  -5.998  -3.139
  249    H    ASP  34           HN       ASP  34  10.055  -1.695  -3.958
  250    HA   ASP  34           HA       ASP  34  12.157  -2.715  -5.526
  251    HB2  ASP  34           HB2      ASP  34  10.246  -3.241  -7.094
  252    HB3  ASP  34           HB1      ASP  34   9.911  -1.514  -7.168
  253    H    ASP  35           HN       ASP  35   9.863  -0.008  -5.842
  254    HA   ASP  35           HA       ASP  35  11.986   1.931  -6.050
  255    HB2  ASP  35           HB2      ASP  35   8.983   2.211  -5.887
  256    HB3  ASP  35           HB1      ASP  35  10.059   3.588  -5.924
  257    H    LEU  36           HN       LEU  36   9.533   1.036  -3.721
  258    HA   LEU  36           HA       LEU  36  10.317   3.145  -1.917
  259    HB2  LEU  36           HB2      LEU  36   8.341   0.920  -1.471
  260    HB3  LEU  36           HB1      LEU  36   8.485   2.396  -0.540
  261    HG   LEU  36           HG       LEU  36   7.572   2.168  -3.400
  262   HD11  LEU  36          HD11      LEU  36   5.926   1.403  -1.819
  263   HD12  LEU  36          HD12      LEU  36   5.437   2.946  -2.526
  264   HD13  LEU  36          HD13      LEU  36   6.093   2.894  -0.892
  265   HD21  LEU  36          HD21      LEU  36   7.109   4.570  -3.257
  266   HD22  LEU  36          HD22      LEU  36   8.826   4.211  -3.095
  267   HD23  LEU  36          HD23      LEU  36   7.874   4.620  -1.663
  268    H    ASP  37           HN       ASP  37   9.986  -0.361  -1.613
  269    HA   ASP  37           HA       ASP  37  11.078  -1.959  -0.522
  270    HB2  ASP  37           HB2      ASP  37  13.252  -1.222  -1.233
  271    HB3  ASP  37           HB1      ASP  37  13.240   0.119  -0.092
  272    H    VAL  38           HN       VAL  38   9.850  -2.596   1.048
  273    HA   VAL  38           HA       VAL  38  10.015  -1.112   3.572
  274    HB   VAL  38           HB       VAL  38   7.614  -2.750   2.687
  275   HG11  VAL  38          HG11      VAL  38   7.805  -2.423   5.069
  276   HG12  VAL  38          HG12      VAL  38   6.439  -1.504   4.436
  277   HG13  VAL  38          HG13      VAL  38   7.942  -0.679   4.847
  278   HG21  VAL  38          HG21      VAL  38   6.454  -0.642   2.150
  279   HG22  VAL  38          HG22      VAL  38   7.846  -0.900   1.099
  280   HG23  VAL  38          HG23      VAL  38   7.951   0.246   2.435
  281    H    ASP  39           HN       ASP  39  11.865  -2.968   2.959
  282    HA   ASP  39           HA       ASP  39  13.021  -4.727   3.807
  283    HB2  ASP  39           HB2      ASP  39  12.182  -3.693   5.975
  284    HB3  ASP  39           HB1      ASP  39  10.893  -4.893   5.935
  285    H    SER  40           HN       SER  40  10.337  -5.028   2.343
  286    HA   SER  40           HA       SER  40   9.145  -6.452   1.196
  287    HB2  SER  40           HB2      SER  40  10.178  -8.475   0.314
  288    HB3  SER  40           HB1      SER  40  11.259  -7.083   0.228
  289    H    LEU  41           HN       LEU  41  10.214  -8.162   4.060
  290    HA   LEU  41           HA       LEU  41   7.657  -9.505   3.944
  291    HB2  LEU  41           HB2      LEU  41   8.312 -10.644   6.091
  292    HB3  LEU  41           HB1      LEU  41   9.340 -10.976   4.722
  293    HG   LEU  41           HG       LEU  41  11.012  -9.361   5.691
  294   HD11  LEU  41          HD11      LEU  41   9.234  -9.513   8.114
  295   HD12  LEU  41          HD12      LEU  41   9.468  -8.103   7.092
  296   HD13  LEU  41          HD13      LEU  41  10.826  -8.744   8.024
  297   HD21  LEU  41          HD21      LEU  41  11.801 -10.929   7.383
  298   HD22  LEU  41          HD22      LEU  41  11.241 -11.765   5.937
  299   HD23  LEU  41          HD23      LEU  41  10.228 -11.720   7.382
  300    H    SER  42           HN       SER  42   9.095  -6.823   5.525
  301    HA   SER  42           HA       SER  42   7.064  -6.508   7.470
  302    HB2  SER  42           HB2      SER  42   9.197  -4.595   6.526
  303    HB3  SER  42           HB1      SER  42   8.125  -4.304   7.899
  304    HG   SER  42           HG       SER  42   8.948  -6.513   8.557
  305    H    MET  43           HN       MET  43   7.114  -5.906   4.199
  306    HA   MET  43           HA       MET  43   5.600  -3.621   4.180
  307    HB2  MET  43           HB2      MET  43   4.799  -4.323   1.793
  308    HB3  MET  43           HB1      MET  43   6.494  -4.066   2.081
  309    HG2  MET  43           HG2      MET  43   5.887  -5.991   0.645
  310    HG3  MET  43           HG1      MET  43   6.980  -6.332   1.972
  311    HE1  MET  43           HE1      MET  43   2.976  -6.017   2.020
  312    HE2  MET  43           HE2      MET  43   2.581  -7.737   1.808
  313    HE3  MET  43           HE3      MET  43   3.370  -6.860   0.506
  314    H    VAL  44           HN       VAL  44   4.646  -6.789   5.000
  315    HA   VAL  44           HA       VAL  44   1.906  -6.552   4.511
  316    HB   VAL  44           HB       VAL  44   3.301  -8.268   6.613
  317   HG11  VAL  44          HG11      VAL  44   1.251  -9.616   6.678
  318   HG12  VAL  44          HG12      VAL  44   0.460  -8.475   5.590
  319   HG13  VAL  44          HG13      VAL  44   0.940  -7.962   7.209
  320   HG21  VAL  44          HG21      VAL  44   3.942  -8.768   4.332
  321   HG22  VAL  44          HG22      VAL  44   2.238  -8.944   3.879
  322   HG23  VAL  44          HG23      VAL  44   2.972 -10.081   5.011
  323    H    GLU  45           HN       GLU  45   3.957  -5.320   6.990
  324    HA   GLU  45           HA       GLU  45   1.955  -4.771   8.900
  325    HB2  GLU  45           HB2      GLU  45   4.652  -3.468   8.529
  326    HB3  GLU  45           HB1      GLU  45   3.654  -3.384   9.978
  327    HG2  GLU  45           HG2      GLU  45   3.836  -5.840  10.183
  328    HG3  GLU  45           HG1      GLU  45   4.916  -5.835   8.803
  329    H    VAL  46           HN       VAL  46   3.328  -3.089   6.172
  330    HA   VAL  46           HA       VAL  46   2.109  -0.591   6.532
  331    HB   VAL  46           HB       VAL  46   2.804  -2.030   3.931
  332   HG11  VAL  46          HG11      VAL  46   2.692   0.174   2.839
  333   HG12  VAL  46          HG12      VAL  46   2.119   0.892   4.339
  334   HG13  VAL  46          HG13      VAL  46   1.126  -0.295   3.497
  335   HG21  VAL  46          HG21      VAL  46   4.717  -1.582   5.341
  336   HG22  VAL  46          HG22      VAL  46   4.248   0.112   5.464
  337   HG23  VAL  46          HG23      VAL  46   4.747  -0.558   3.908
  338    H    VAL  47           HN       VAL  47   1.171  -3.474   4.706
  339    HA   VAL  47           HA       VAL  47  -1.276  -2.846   3.644
  340    HB   VAL  47           HB       VAL  47  -0.753  -5.473   5.058
  341   HG11  VAL  47          HG11      VAL  47  -2.202  -6.406   3.325
  342   HG12  VAL  47          HG12      VAL  47  -2.450  -4.788   2.673
  343   HG13  VAL  47          HG13      VAL  47  -3.020  -5.184   4.293
  344   HG21  VAL  47          HG21      VAL  47   0.066  -4.681   2.270
  345   HG22  VAL  47          HG22      VAL  47   0.193  -6.299   2.958
  346   HG23  VAL  47          HG23      VAL  47   1.149  -4.977   3.630
  347    H    VAL  48           HN       VAL  48  -0.807  -4.412   6.798
  348    HA   VAL  48           HA       VAL  48  -3.352  -4.435   7.820
  349    HB   VAL  48           HB       VAL  48  -0.790  -3.911   9.363
  350   HG11  VAL  48          HG11      VAL  48  -1.977  -4.821  11.307
  351   HG12  VAL  48          HG12      VAL  48  -3.457  -4.919  10.353
  352   HG13  VAL  48          HG13      VAL  48  -2.743  -3.347  10.716
  353   HG21  VAL  48          HG21      VAL  48  -2.247  -6.481   8.751
  354   HG22  VAL  48          HG22      VAL  48  -0.813  -6.326   9.765
  355   HG23  VAL  48          HG23      VAL  48  -0.718  -5.957   8.045
  356    H    ALA  49           HN       ALA  49  -1.060  -1.744   8.136
  357    HA   ALA  49           HA       ALA  49  -2.892  -0.157   9.661
  358    HB1  ALA  49           HB1      ALA  49  -1.228   1.586   9.545
  359    HB2  ALA  49           HB2      ALA  49  -0.324   0.675   8.331
  360    HB3  ALA  49           HB3      ALA  49  -0.479   0.047   9.980
  361    H    ALA  50           HN       ALA  50  -1.943  -0.367   6.301
  362    HA   ALA  50           HA       ALA  50  -3.296   1.930   5.395
  363    HB1  ALA  50           HB1      ALA  50  -2.713  -0.653   3.925
  364    HB2  ALA  50           HB2      ALA  50  -1.642   0.746   4.015
  365    HB3  ALA  50           HB3      ALA  50  -3.189   0.871   3.176
  366    H    GLU  51           HN       GLU  51  -4.219  -1.439   5.819
  367    HA   GLU  51           HA       GLU  51  -6.824  -1.364   4.910
  368    HB2  GLU  51           HB2      GLU  51  -5.691  -2.921   7.235
  369    HB3  GLU  51           HB1      GLU  51  -7.273  -3.204   6.535
  370    HG2  GLU  51           HG2      GLU  51  -6.224  -3.829   4.424
  371    HG3  GLU  51           HG1      GLU  51  -4.634  -3.530   5.134
  372    H    GLU  52           HN       GLU  52  -5.531  -0.732   8.095
  373    HA   GLU  52           HA       GLU  52  -7.877  -0.109   9.407
  374    HB2  GLU  52           HB2      GLU  52  -5.852  -0.545  10.608
  375    HB3  GLU  52           HB1      GLU  52  -5.068   0.849   9.887
  376    HG2  GLU  52           HG2      GLU  52  -6.537   2.339  11.089
  377    HG3  GLU  52           HG1      GLU  52  -7.424   0.965  11.753
  378    H    ARG  53           HN       ARG  53  -5.625   2.020   7.700
  379    HA   ARG  53           HA       ARG  53  -6.977   4.420   8.328
  380    HB2  ARG  53           HB2      ARG  53  -4.606   4.411   7.754
  381    HB3  ARG  53           HB1      ARG  53  -4.996   3.852   6.138
  382    HG2  ARG  53           HG2      ARG  53  -4.429   6.213   6.105
  383    HG3  ARG  53           HG1      ARG  53  -6.107   5.975   5.646
  384    HD2  ARG  53           HD2      ARG  53  -5.230   6.767   8.431
  385    HD3  ARG  53           HD1      ARG  53  -5.644   7.934   7.185
  386    HE   ARG  53           HE       ARG  53  -7.786   6.142   7.456
  387   HH11  ARG  53          HH11      ARG  53  -6.211   8.622   9.452
  388   HH12  ARG  53          HH12      ARG  53  -7.662   9.132  10.181
  389   HH21  ARG  53          HH21      ARG  53  -9.735   6.714   8.634
  390   HH22  ARG  53          HH22      ARG  53  -9.678   7.967   9.768
  391    H    PHE  54           HN       PHE  54  -7.065   2.425   5.357
  392    HA   PHE  54           HA       PHE  54  -8.892   4.365   4.142
  393    HB2  PHE  54           HB2      PHE  54  -8.071   1.710   2.973
  394    HB3  PHE  54           HB1      PHE  54  -8.722   3.103   2.135
  395    HD1  PHE  54           HD1      PHE  54  -7.075   5.300   3.042
  396    HD2  PHE  54           HD2      PHE  54  -6.046   1.276   2.191
  397    HE1  PHE  54           HE1      PHE  54  -4.787   6.021   2.528
  398    HE2  PHE  54           HE2      PHE  54  -3.719   1.983   1.678
  399    HZ   PHE  54           HZ       PHE  54  -3.098   4.357   1.852
  400    H    ASP  55           HN       ASP  55  -9.268   1.944   6.276
  401    HA   ASP  55           HA       ASP  55 -10.856   0.489   6.928
  402    HB2  ASP  55           HB2      ASP  55 -12.650   2.329   5.307
  403    HB3  ASP  55           HB1      ASP  55 -13.273   0.979   6.250
  404    H    VAL  56           HN       VAL  56  -9.269  -0.159   4.910
  405    HA   VAL  56           HA       VAL  56 -10.973  -1.626   3.063
  406    HB   VAL  56           HB       VAL  56  -9.159  -0.044   2.117
  407   HG11  VAL  56          HG11      VAL  56  -6.920  -0.926   1.839
  408   HG12  VAL  56          HG12      VAL  56  -7.311  -2.260   2.892
  409   HG13  VAL  56          HG13      VAL  56  -7.291  -0.605   3.543
  410   HG21  VAL  56          HG21      VAL  56  -9.162  -2.900   1.215
  411   HG22  VAL  56          HG22      VAL  56  -8.554  -1.530   0.286
  412   HG23  VAL  56          HG23      VAL  56 -10.268  -1.625   0.700
  413    H    LYS  57           HN       LYS  57  -9.738  -3.712   2.414
  414    HA   LYS  57           HA       LYS  57  -8.619  -5.087   4.726
  415    HB2  LYS  57           HB2      LYS  57 -11.070  -6.130   3.240
  416    HB3  LYS  57           HB1      LYS  57 -10.135  -7.073   4.379
  417    HG2  LYS  57           HG2      LYS  57 -12.077  -6.426   5.546
  418    HG3  LYS  57           HG1      LYS  57 -10.821  -5.341   6.131
  419    HD2  LYS  57           HD2      LYS  57 -11.614  -3.628   4.528
  420    HD3  LYS  57           HD1      LYS  57 -12.907  -4.722   4.047
  421    HE2  LYS  57           HE2      LYS  57 -13.833  -4.651   6.282
  422    HE3  LYS  57           HE1      LYS  57 -12.490  -3.638   6.829
  423    HZ1  LYS  57           HZ1      LYS  57 -14.491  -2.311   6.313
  424    HZ2  LYS  57           HZ2      LYS  57 -14.448  -2.893   4.731
  425    HZ3  LYS  57           HZ3      LYS  57 -13.198  -1.924   5.300
  426    H    ILE  58           HN       ILE  58  -6.869  -6.035   3.974
  427    HA   ILE  58           HA       ILE  58  -6.973  -7.246   1.327
  428    HB   ILE  58           HB       ILE  58  -4.470  -5.667   1.905
  429   HG12  ILE  58          HG12      ILE  58  -6.887  -4.446   0.525
  430   HG13  ILE  58          HG11      ILE  58  -6.358  -4.002   2.145
  431   HG21  ILE  58          HG21      ILE  58  -4.631  -7.265   0.032
  432   HG22  ILE  58          HG22      ILE  58  -4.423  -5.605  -0.554
  433   HG23  ILE  58          HG23      ILE  58  -6.018  -6.355  -0.578
  434   HD11  ILE  58          HD11      ILE  58  -4.787  -3.645  -0.399
  435   HD12  ILE  58          HD12      ILE  58  -4.235  -3.210   1.219
  436   HD13  ILE  58          HD13      ILE  58  -5.619  -2.379   0.505
  437    HA   PRO  59           HA       PRO  59  -4.856 -10.028   4.309
  438    HB2  PRO  59           HB2      PRO  59  -5.877 -12.013   2.366
  439    HB3  PRO  59           HB1      PRO  59  -6.065 -11.970   4.122
  440    HG2  PRO  59           HG2      PRO  59  -8.122 -11.440   2.517
  441    HG3  PRO  59           HG1      PRO  59  -7.884 -10.537   4.024
  442    HD2  PRO  59           HD2      PRO  59  -7.223  -9.732   1.212
  443    HD3  PRO  59           HD1      PRO  59  -7.994  -8.783   2.498
  444    H    ASP  60           HN       ASP  60  -3.342 -11.981   3.656
  445    HA   ASP  60           HA       ASP  60  -1.188 -10.908   2.203
  446    HB2  ASP  60           HB2      ASP  60  -0.999 -12.748   3.911
  447    HB3  ASP  60           HB1      ASP  60  -1.653 -13.804   2.626
  448    H    ASP  61           HN       ASP  61  -3.564 -13.350   1.303
  449    HA   ASP  61           HA       ASP  61  -2.383 -13.875  -1.219
  450    HB2  ASP  61           HB2      ASP  61  -5.185 -14.433  -0.254
  451    HB3  ASP  61           HB1      ASP  61  -4.566 -14.960  -1.819
  452    H    ASP  62           HN       ASP  62  -4.415 -11.406  -0.137
  453    HA   ASP  62           HA       ASP  62  -5.052 -10.586  -2.825
  454    HB2  ASP  62           HB2      ASP  62  -5.763  -9.459  -0.140
  455    HB3  ASP  62           HB1      ASP  62  -5.953  -8.487  -1.596
  456    H    VAL  63           HN       VAL  63  -2.894  -9.524  -0.190
  457    HA   VAL  63           HA       VAL  63  -1.939  -7.380  -1.753
  458    HB   VAL  63           HB       VAL  63  -1.679  -7.405   0.745
  459   HG11  VAL  63          HG11      VAL  63   0.553  -9.350   0.255
  460   HG12  VAL  63          HG12      VAL  63  -0.986  -9.699   1.034
  461   HG13  VAL  63          HG13      VAL  63   0.154  -8.578   1.795
  462   HG21  VAL  63          HG21      VAL  63   0.861  -7.024  -0.810
  463   HG22  VAL  63          HG22      VAL  63   0.545  -6.386   0.804
  464   HG23  VAL  63          HG23      VAL  63  -0.416  -5.833  -0.567
  465    H    LYS  64           HN       LYS  64  -1.261 -10.725  -1.696
  466    HA   LYS  64           HA       LYS  64   1.123 -10.953  -2.839
  467    HB2  LYS  64           HB2      LYS  64  -1.368 -12.533  -3.326
  468    HB3  LYS  64           HB1      LYS  64   0.063 -12.894  -4.263
  469    HG2  LYS  64           HG2      LYS  64   1.254 -13.269  -2.077
  470    HG3  LYS  64           HG1      LYS  64  -0.330 -13.150  -1.294
  471    HD2  LYS  64           HD2      LYS  64  -1.188 -14.976  -2.579
  472    HD3  LYS  64           HD1      LYS  64   0.256 -15.020  -3.583
  473    HE2  LYS  64           HE2      LYS  64   0.420 -16.834  -2.091
  474    HE3  LYS  64           HE1      LYS  64   1.538 -15.610  -1.504
  475    HZ1  LYS  64           HZ1      LYS  64  -1.177 -16.132  -0.422
  476    HZ2  LYS  64           HZ2      LYS  64  -0.029 -15.011   0.210
  477    HZ3  LYS  64           HZ3      LYS  64   0.292 -16.659   0.230
  478    H    ASN  65           HN       ASN  65  -1.807  -9.668  -4.182
  479    HA   ASN  65           HA       ASN  65  -1.209 -10.025  -7.002
  480    HB2  ASN  65           HB2      ASN  65  -3.545  -8.755  -5.565
  481    HB3  ASN  65           HB1      ASN  65  -3.412  -8.891  -7.309
  482   HD21  ASN  65          HD21      ASN  65  -5.352  -9.974  -5.358
  483   HD22  ASN  65          HD22      ASN  65  -5.420 -11.664  -5.668
  484    H    LEU  66           HN       LEU  66  -0.321  -7.752  -4.686
  485    HA   LEU  66           HA       LEU  66  -0.799  -5.484  -6.408
  486    HB2  LEU  66           HB2      LEU  66   0.283  -5.636  -3.611
  487    HB3  LEU  66           HB1      LEU  66   0.066  -4.141  -4.509
  488    HG   LEU  66           HG       LEU  66  -2.136  -6.056  -3.737
  489   HD11  LEU  66          HD11      LEU  66  -2.873  -4.274  -2.264
  490   HD12  LEU  66          HD12      LEU  66  -1.454  -3.318  -2.700
  491   HD13  LEU  66          HD13      LEU  66  -1.262  -4.849  -1.837
  492   HD21  LEU  66          HD21      LEU  66  -2.579  -4.956  -5.858
  493   HD22  LEU  66          HD22      LEU  66  -2.245  -3.385  -5.128
  494   HD23  LEU  66          HD23      LEU  66  -3.634  -4.328  -4.593
  495    H    LYS  67           HN       LYS  67   0.821  -3.899  -6.850
  496    HA   LYS  67           HA       LYS  67   3.544  -4.949  -7.086
  497    HB2  LYS  67           HB2      LYS  67   2.424  -5.394  -9.167
  498    HB3  LYS  67           HB1      LYS  67   1.800  -3.751  -9.222
  499    HG2  LYS  67           HG2      LYS  67   4.186  -2.992  -9.263
  500    HG3  LYS  67           HG1      LYS  67   4.614  -4.683  -9.590
  501    HD2  LYS  67           HD2      LYS  67   3.075  -4.613 -11.536
  502    HD3  LYS  67           HD1      LYS  67   2.809  -2.892 -11.155
  503    HE2  LYS  67           HE2      LYS  67   5.117  -2.424 -11.442
  504    HE3  LYS  67           HE1      LYS  67   5.470  -4.127 -11.741
  505    HZ1  LYS  67           HZ1      LYS  67   3.871  -2.308 -13.470
  506    HZ2  LYS  67           HZ2      LYS  67   3.992  -3.967 -13.718
  507    HZ3  LYS  67           HZ3      LYS  67   5.372  -2.998 -13.822
  508    H    THR  68           HN       THR  68   1.436  -2.114  -7.764
  509    HA   THR  68           HA       THR  68   3.540  -0.420  -6.579
  510    HB   THR  68           HB       THR  68   3.035   1.361  -8.226
  511    HG1  THR  68           HG1      THR  68   1.278  -0.607  -9.265
  512   HG21  THR  68          HG21      THR  68   3.780  -1.234  -9.587
  513   HG22  THR  68          HG22      THR  68   4.893  -0.144  -8.759
  514   HG23  THR  68          HG23      THR  68   4.072   0.382 -10.229
  515    H    VAL  69           HN       VAL  69   2.237   1.978  -6.502
  516    HA   VAL  69           HA       VAL  69  -0.036   1.132  -5.020
  517    HB   VAL  69           HB       VAL  69  -0.322   3.172  -4.002
  518   HG11  VAL  69          HG11      VAL  69   1.527   2.082  -3.122
  519   HG12  VAL  69          HG12      VAL  69   1.810   3.825  -3.074
  520   HG13  VAL  69          HG13      VAL  69   2.615   2.826  -4.297
  521   HG21  VAL  69          HG21      VAL  69   0.805   5.262  -4.605
  522   HG22  VAL  69          HG22      VAL  69  -0.340   4.655  -5.797
  523   HG23  VAL  69          HG23      VAL  69   1.399   4.465  -6.065
  524    H    GLY  70           HN       GLY  70   0.539   1.884  -8.142
  525    HA2  GLY  70           HA2      GLY  70  -1.807   3.378  -8.785
  526    HA3  GLY  70           HA1      GLY  70  -0.832   2.427  -9.911
  527    H    ASP  71           HN       ASP  71  -0.928   0.004  -9.175
  528    HA   ASP  71           HA       ASP  71  -3.515  -0.963  -9.618
  529    HB2  ASP  71           HB2      ASP  71  -2.376  -3.198  -8.750
  530    HB3  ASP  71           HB1      ASP  71  -1.830  -2.500 -10.294
  531    H    ALA  72           HN       ALA  72  -1.603  -0.578  -6.674
  532    HA   ALA  72           HA       ALA  72  -3.412  -1.770  -4.941
  533    HB1  ALA  72           HB1      ALA  72  -1.676   0.574  -4.226
  534    HB2  ALA  72           HB2      ALA  72  -1.098  -1.091  -4.326
  535    HB3  ALA  72           HB3      ALA  72  -2.323  -0.651  -3.136
  536    H    THR  73           HN       THR  73  -3.390   1.542  -6.183
  537    HA   THR  73           HA       THR  73  -5.242   2.646  -4.477
  538    HB   THR  73           HB       THR  73  -4.884   3.257  -7.441
  539    HG1  THR  73           HG1      THR  73  -3.057   3.599  -6.016
  540   HG21  THR  73          HG21      THR  73  -7.057   4.092  -6.610
  541   HG22  THR  73          HG22      THR  73  -5.949   5.413  -6.970
  542   HG23  THR  73          HG23      THR  73  -6.222   4.927  -5.299
  543    H    LYS  74           HN       LYS  74  -5.958   1.285  -7.731
  544    HA   LYS  74           HA       LYS  74  -8.755   1.364  -7.440
  545    HB2  LYS  74           HB2      LYS  74  -7.035  -0.318  -9.257
  546    HB3  LYS  74           HB1      LYS  74  -8.780  -0.423  -9.258
  547    HG2  LYS  74           HG2      LYS  74  -8.232   0.936 -11.046
  548    HG3  LYS  74           HG1      LYS  74  -8.804   2.029  -9.786
  549    HD2  LYS  74           HD2      LYS  74  -6.506   2.644  -9.254
  550    HD3  LYS  74           HD1      LYS  74  -5.904   1.475 -10.434
  551    HE2  LYS  74           HE2      LYS  74  -7.111   2.737 -12.215
  552    HE3  LYS  74           HE1      LYS  74  -7.538   3.950 -11.009
  553    HZ1  LYS  74           HZ1      LYS  74  -5.169   4.329 -10.641
  554    HZ2  LYS  74           HZ2      LYS  74  -5.574   4.674 -12.211
  555    HZ3  LYS  74           HZ3      LYS  74  -4.769   3.231 -11.848
  556    H    TYR  75           HN       TYR  75  -6.410  -1.019  -6.569
  557    HA   TYR  75           HA       TYR  75  -8.146  -3.182  -6.187
  558    HB2  TYR  75           HB2      TYR  75  -5.591  -3.148  -6.396
  559    HB3  TYR  75           HB1      TYR  75  -5.576  -2.727  -4.693
  560    HD1  TYR  75           HD2      TYR  75  -6.220  -4.307  -3.023
  561    HD2  TYR  75           HD1      TYR  75  -6.159  -5.400  -7.124
  562    HE1  TYR  75           HE2      TYR  75  -6.345  -6.652  -2.376
  563    HE2  TYR  75           HE1      TYR  75  -6.290  -7.739  -6.539
  564    HH   TYR  75           HH       TYR  75  -5.789  -9.243  -4.439
  565    H    ILE  76           HN       ILE  76  -6.756  -0.758  -4.021
  566    HA   ILE  76           HA       ILE  76  -8.040  -1.589  -1.669
  567    HB   ILE  76           HB       ILE  76  -6.841   1.069  -2.504
  568   HG12  ILE  76          HG12      ILE  76  -5.902  -1.019  -0.529
  569   HG13  ILE  76          HG11      ILE  76  -5.352  -0.894  -2.194
  570   HG21  ILE  76          HG21      ILE  76  -6.986   1.786  -0.163
  571   HG22  ILE  76          HG22      ILE  76  -7.889   0.323   0.230
  572   HG23  ILE  76          HG23      ILE  76  -8.590   1.526  -0.855
  573   HD11  ILE  76          HD11      ILE  76  -4.432   1.304  -1.719
  574   HD12  ILE  76          HD12      ILE  76  -3.749   0.056  -0.677
  575   HD13  ILE  76          HD13      ILE  76  -4.965   1.166  -0.040
  576    H    LEU  77           HN       LEU  77  -8.856   0.848  -4.117
  577    HA   LEU  77           HA       LEU  77 -11.237   1.721  -3.003
  578    HB2  LEU  77           HB2      LEU  77 -10.543   1.457  -5.932
  579    HB3  LEU  77           HB1      LEU  77 -11.911   2.363  -5.324
  580    HG   LEU  77           HG       LEU  77  -9.007   2.995  -4.797
  581   HD11  LEU  77          HD11      LEU  77 -11.036   4.390  -6.528
  582   HD12  LEU  77          HD12      LEU  77  -9.638   3.471  -7.088
  583   HD13  LEU  77          HD13      LEU  77  -9.405   4.969  -6.188
  584   HD21  LEU  77          HD21      LEU  77  -9.847   5.054  -3.786
  585   HD22  LEU  77          HD22      LEU  77 -10.419   3.625  -2.924
  586   HD23  LEU  77          HD23      LEU  77 -11.503   4.491  -4.016
  587    H    ASP  78           HN       ASP  78 -10.531  -1.133  -4.798
  588    HA   ASP  78           HA       ASP  78 -13.229  -2.016  -5.206
  589    HB2  ASP  78           HB2      ASP  78 -11.525  -2.655  -6.772
  590    HB3  ASP  78           HB1      ASP  78 -10.544  -3.357  -5.500
  591    H    HIS  79           HN       HIS  79 -10.784  -2.510  -2.781
  592    HA   HIS  79           HA       HIS  79 -12.326  -4.649  -1.552
  593    HB2  HIS  79           HB2      HIS  79  -9.530  -3.731  -1.223
  594    HB3  HIS  79           HB1      HIS  79 -10.294  -4.601   0.103
  595    HD1  HIS  79           HD1      HIS  79  -9.990  -7.033  -0.004
  596    HD2  HIS  79           HD2      HIS  79  -9.902  -5.314  -3.791
  597    HE1  HIS  79           HE1      HIS  79  -9.528  -8.900  -1.585
  598    HE2  HIS  79           HE2      HIS  79  -9.690  -7.911  -3.853
  599    H    GLN  80           HN       GLN  80 -12.404  -1.370  -1.282
  600    HA   GLN  80           HA       GLN  80 -12.952  -1.420   1.584
  601    HB2  GLN  80           HB2      GLN  80 -12.939   1.009   1.441
  602    HB3  GLN  80           HB1      GLN  80 -11.440   0.310   0.833
  603    HG2  GLN  80           HG2      GLN  80 -12.229   0.632  -1.458
  604    HG3  GLN  80           HG1      GLN  80 -13.725   1.325  -0.841
  605   HE21  GLN  80          HE21      GLN  80 -10.622   1.980   0.633
  606   HE22  GLN  80          HE22      GLN  80 -10.536   3.622   0.120
  607    H    ALA  81           HN       ALA  81 -14.843   0.083   2.208
  608    HA   ALA  81           HA       ALA  81 -17.138  -0.732   0.621
  609    HB1  ALA  81           HB1      ALA  81 -17.140  -1.378   2.986
  610    HB2  ALA  81           HB2      ALA  81 -18.435  -0.231   2.644
  611    HB3  ALA  81           HB3      ALA  81 -16.969   0.313   3.456
  612    H2   SOO 101           H2A      SOO 101   4.062  -5.322  -0.423
  613    H3   SOO 101           H3A      SOO 101   1.827  -3.522  -1.627
  614    H4   SOO 101           H4A      SOO 101   2.134  -4.422   1.175
  615    H4A  SOO 101           H4B      SOO 101   3.260  -3.095   0.884
  616    H5   SOO 101           H5A      SOO 101   1.362  -1.685   0.180
  617    H5A  SOO 101           H5B      SOO 101   1.171  -2.271   1.832
  618    H6   SOO 101           H6A      SOO 101  -0.266  -4.115   0.920
  619    H6A  SOO 101           H6B      SOO 101  -0.204  -3.310  -0.643
  620    H7   SOO 101           H7A      SOO 101  -1.279  -2.054   1.887
  621    H7A  SOO 101           H7B      SOO 101  -2.267  -2.767   0.600
  622    H8   SOO 101           H8C      SOO 101  -2.129  -0.348   0.387
  623    H8A  SOO 101           H8A      SOO 101  -1.350  -1.148  -0.982
  624    H8B  SOO 101           H8B      SOO 101  -0.371  -0.449   0.316
  625    H28  SOO 101          H28A      SOO 101  10.746 -11.991   1.392
  626   H28A  SOO 101          H28B      SOO 101   9.791 -10.505   1.524
  627    H30  SOO 101          H30A      SOO 101   9.353  -9.934  -1.319
  628   H30A  SOO 101          H30B      SOO 101   8.109  -9.949  -0.068
  629   H30B  SOO 101          H30C      SOO 101   7.880 -10.878  -1.549
  630    H31  SOO 101          H31A      SOO 101  10.706 -11.911  -1.764
  631   H31A  SOO 101          H31B      SOO 101   9.283 -12.935  -1.957
  632   H31B  SOO 101          H31C      SOO 101  10.528 -13.370  -0.787
  633    H32  SOO 101          H32A      SOO 101   7.663 -13.259  -0.224
  634   HO33  SOO 101          H33A      SOO 101   8.411 -13.409   2.213
  635   HN36  SOO 101          H36A      SOO 101   5.988 -11.521  -0.096
  636    H37  SOO 101          H37A      SOO 101   5.058 -11.164   2.623
  637   H37A  SOO 101          H37B      SOO 101   5.316  -9.698   1.716
  638    H38  SOO 101          H38A      SOO 101   3.418 -12.015   0.970
  639   H38A  SOO 101          H38B      SOO 101   3.000 -10.496   1.756
  640   HN41  SOO 101          H41A      SOO 101   4.618  -8.907   0.210
  641    H42  SOO 101          H42A      SOO 101   4.058  -8.970  -2.569
  642   H42A  SOO 101          H42B      SOO 101   2.986  -7.857  -1.709
  643    H43  SOO 101          H43A      SOO 101   6.006  -7.810  -1.623
  644   H43A  SOO 101          H43B      SOO 101   4.902  -6.718  -0.763
  Start of MODEL   12
    1    H1   ALA   1           HT1      ALA   1 -14.761   4.289   2.538
    2    H2   ALA   1           HT2      ALA   1 -16.151   3.832   1.727
    3    H3   ALA   1           HT3      ALA   1 -15.882   5.469   2.143
    4    HA   ALA   1           HA       ALA   1 -14.238   3.880   0.279
    5    HB1  ALA   1           HB1      ALA   1 -16.407   4.512  -0.680
    6    HB2  ALA   1           HB2      ALA   1 -15.080   5.375  -1.457
    7    HB3  ALA   1           HB3      ALA   1 -16.093   6.200  -0.273
    8    H    ALA   2           HN       ALA   2 -12.731   5.337  -0.922
    9    HA   ALA   2           HA       ALA   2 -11.872   7.754   0.443
   10    HB1  ALA   2           HB1      ALA   2  -9.537   6.938   0.537
   11    HB2  ALA   2           HB2      ALA   2 -10.079   5.347  -0.003
   12    HB3  ALA   2           HB3      ALA   2 -10.597   5.971   1.564
   13    H    THR   3           HN       THR   3  -9.850   8.576  -1.016
   14    HA   THR   3           HA       THR   3 -10.645   8.081  -3.796
   15    HB   THR   3           HB       THR   3  -9.613  10.292  -4.270
   16    HG1  THR   3           HG1      THR   3  -9.429  11.531  -2.052
   17   HG21  THR   3          HG21      THR   3 -12.021  10.171  -3.831
   18   HG22  THR   3          HG22      THR   3 -11.349  11.681  -3.215
   19   HG23  THR   3          HG23      THR   3 -11.721  10.359  -2.103
   20    H    GLN   4           HN       GLN   4  -8.646   8.610  -5.317
   21    HA   GLN   4           HA       GLN   4  -6.509   6.899  -4.748
   22    HB2  GLN   4           HB2      GLN   4  -6.931   7.328  -7.043
   23    HB3  GLN   4           HB1      GLN   4  -7.043   9.055  -6.794
   24    HG2  GLN   4           HG2      GLN   4  -4.428   7.624  -6.474
   25    HG3  GLN   4           HG1      GLN   4  -5.011   8.077  -8.079
   26   HE21  GLN   4          HE21      GLN   4  -2.678   8.999  -6.673
   27   HE22  GLN   4          HE22      GLN   4  -2.793  10.704  -6.462
   28    H    GLU   5           HN       GLU   5  -7.028  10.306  -4.384
   29    HA   GLU   5           HA       GLU   5  -4.475  11.126  -3.649
   30    HB2  GLU   5           HB2      GLU   5  -6.382  12.553  -4.339
   31    HB3  GLU   5           HB1      GLU   5  -7.136  12.236  -2.784
   32    HG2  GLU   5           HG2      GLU   5  -5.218  13.284  -1.681
   33    HG3  GLU   5           HG1      GLU   5  -4.545  13.664  -3.268
   34    H    GLU   6           HN       GLU   6  -7.291  10.222  -1.645
   35    HA   GLU   6           HA       GLU   6  -6.026  10.443   0.846
   36    HB2  GLU   6           HB2      GLU   6  -8.351   8.730  -0.019
   37    HB3  GLU   6           HB1      GLU   6  -7.798   8.820   1.645
   38    HG2  GLU   6           HG2      GLU   6  -8.793  11.121  -0.013
   39    HG3  GLU   6           HG1      GLU   6  -9.693  10.282   1.252
   40    H    ILE   7           HN       ILE   7  -6.277   7.732  -1.364
   41    HA   ILE   7           HA       ILE   7  -5.008   5.849   0.258
   42    HB   ILE   7           HB       ILE   7  -5.214   6.026  -2.762
   43   HG12  ILE   7          HG12      ILE   7  -6.623   4.323  -0.691
   44   HG13  ILE   7          HG11      ILE   7  -7.297   5.720  -1.512
   45   HG21  ILE   7          HG21      ILE   7  -4.169   3.712  -1.104
   46   HG22  ILE   7          HG22      ILE   7  -3.211   4.711  -2.197
   47   HG23  ILE   7          HG23      ILE   7  -4.484   3.674  -2.840
   48   HD11  ILE   7          HD11      ILE   7  -7.177   4.546  -3.632
   49   HD12  ILE   7          HD12      ILE   7  -8.120   3.646  -2.447
   50   HD13  ILE   7          HD13      ILE   7  -6.469   3.150  -2.820
   51    H    VAL   8           HN       VAL   8  -3.558   7.647  -2.444
   52    HA   VAL   8           HA       VAL   8  -0.931   6.895  -1.986
   53    HB   VAL   8           HB       VAL   8  -2.041   9.434  -3.202
   54   HG11  VAL   8          HG11      VAL   8   0.295   9.809  -2.521
   55   HG12  VAL   8          HG12      VAL   8   0.137   9.715  -4.277
   56   HG13  VAL   8          HG13      VAL   8   0.774   8.339  -3.374
   57   HG21  VAL   8          HG21      VAL   8  -2.724   7.452  -4.335
   58   HG22  VAL   8          HG22      VAL   8  -1.082   6.822  -4.308
   59   HG23  VAL   8          HG23      VAL   8  -1.457   8.233  -5.293
   60    H    ALA   9           HN       ALA   9  -2.530   9.872  -0.779
   61    HA   ALA   9           HA       ALA   9  -0.277  10.887   0.548
   62    HB1  ALA   9           HB1      ALA   9  -1.820  12.381   1.696
   63    HB2  ALA   9           HB2      ALA   9  -3.182  11.371   1.198
   64    HB3  ALA   9           HB3      ALA   9  -2.242  12.239  -0.013
   65    H    GLY  10           HN       GLY  10  -2.933   8.845   1.742
   66    HA2  GLY  10           HA2      GLY  10  -1.989   8.806   4.427
   67    HA3  GLY  10           HA1      GLY  10  -3.212   7.750   3.729
   68    H    LEU  11           HN       LEU  11  -1.658   6.650   1.660
   69    HA   LEU  11           HA       LEU  11  -0.513   4.418   2.833
   70    HB2  LEU  11           HB2      LEU  11  -0.996   5.383   0.257
   71    HB3  LEU  11           HB1      LEU  11   0.724   5.064   0.295
   72    HG   LEU  11           HG       LEU  11  -1.466   3.080   0.932
   73   HD11  LEU  11          HD11      LEU  11  -1.410   3.651  -1.414
   74   HD12  LEU  11          HD12      LEU  11  -0.814   2.011  -1.161
   75   HD13  LEU  11          HD13      LEU  11   0.323   3.327  -1.473
   76   HD21  LEU  11          HD21      LEU  11   1.516   2.684   0.705
   77   HD22  LEU  11          HD22      LEU  11   0.322   1.408   0.941
   78   HD23  LEU  11          HD23      LEU  11   0.573   2.622   2.193
   79    H    ALA  12           HN       ALA  12   0.978   7.305   1.523
   80    HA   ALA  12           HA       ALA  12   3.634   6.557   1.949
   81    HB1  ALA  12           HB1      ALA  12   4.175   8.845   1.627
   82    HB2  ALA  12           HB2      ALA  12   2.480   9.317   1.847
   83    HB3  ALA  12           HB3      ALA  12   2.963   8.327   0.456
   84    H    GLU  13           HN       GLU  13   1.275   7.971   4.101
   85    HA   GLU  13           HA       GLU  13   3.131   8.789   6.076
   86    HB2  GLU  13           HB2      GLU  13   0.249   7.985   6.424
   87    HB3  GLU  13           HB1      GLU  13   1.245   8.732   7.657
   88    HG2  GLU  13           HG2      GLU  13   1.526  10.640   5.993
   89    HG3  GLU  13           HG1      GLU  13   0.146   9.915   5.154
   90    H    ILE  14           HN       ILE  14   1.110   5.931   5.719
   91    HA   ILE  14           HA       ILE  14   2.147   4.561   7.943
   92    HB   ILE  14           HB       ILE  14   0.736   3.538   5.457
   93   HG12  ILE  14          HG12      ILE  14  -1.034   2.869   7.122
   94   HG13  ILE  14          HG11      ILE  14  -0.091   3.654   8.372
   95   HG21  ILE  14          HG21      ILE  14   0.613   1.313   6.462
   96   HG22  ILE  14          HG22      ILE  14   1.684   1.849   7.756
   97   HG23  ILE  14          HG23      ILE  14   2.269   1.788   6.095
   98   HD11  ILE  14          HD11      ILE  14  -1.949   5.024   7.655
   99   HD12  ILE  14          HD12      ILE  14  -1.348   4.992   5.994
  100   HD13  ILE  14          HD13      ILE  14  -0.413   5.794   7.257
  101    H    VAL  15           HN       VAL  15   3.139   4.568   4.558
  102    HA   VAL  15           HA       VAL  15   5.190   2.701   4.747
  103    HB   VAL  15           HB       VAL  15   4.918   5.093   2.894
  104   HG11  VAL  15          HG11      VAL  15   6.884   2.808   2.706
  105   HG12  VAL  15          HG12      VAL  15   7.267   4.497   3.061
  106   HG13  VAL  15          HG13      VAL  15   6.614   4.056   1.482
  107   HG21  VAL  15          HG21      VAL  15   3.216   3.373   2.638
  108   HG22  VAL  15          HG22      VAL  15   4.469   2.142   2.472
  109   HG23  VAL  15          HG23      VAL  15   4.298   3.397   1.246
  110    H    ASN  16           HN       ASN  16   5.089   6.031   5.690
  111    HA   ASN  16           HA       ASN  16   7.915   6.271   6.137
  112    HB2  ASN  16           HB2      ASN  16   6.303   8.141   5.503
  113    HB3  ASN  16           HB1      ASN  16   5.741   8.088   7.167
  114   HD21  ASN  16          HD21      ASN  16   8.330   8.875   5.044
  115   HD22  ASN  16          HD22      ASN  16   9.219   9.856   6.150
  116    H    GLU  17           HN       GLU  17   5.187   5.159   7.922
  117    HA   GLU  17           HA       GLU  17   6.371   5.417  10.552
  118    HB2  GLU  17           HB2      GLU  17   4.048   3.676   9.674
  119    HB3  GLU  17           HB1      GLU  17   4.452   4.127  11.319
  120    HG2  GLU  17           HG2      GLU  17   3.607   6.035   9.174
  121    HG3  GLU  17           HG1      GLU  17   2.509   5.325  10.354
  122    H    ILE  18           HN       ILE  18   5.633   2.830   8.281
  123    HA   ILE  18           HA       ILE  18   6.799   0.698   9.746
  124    HB   ILE  18           HB       ILE  18   6.235   0.872   6.775
  125   HG12  ILE  18          HG12      ILE  18   4.208   1.304   8.104
  126   HG13  ILE  18          HG11      ILE  18   4.105  -0.242   7.279
  127   HG21  ILE  18          HG21      ILE  18   7.735  -0.964   7.307
  128   HG22  ILE  18          HG22      ILE  18   6.147  -1.587   6.861
  129   HG23  ILE  18          HG23      ILE  18   6.629  -1.535   8.557
  130   HD11  ILE  18          HD11      ILE  18   3.202  -0.385   9.508
  131   HD12  ILE  18          HD12      ILE  18   4.725   0.181  10.200
  132   HD13  ILE  18          HD13      ILE  18   4.650  -1.382   9.381
  133    H    ALA  19           HN       ALA  19   7.956   2.529   6.900
  134    HA   ALA  19           HA       ALA  19  10.628   1.376   7.403
  135    HB1  ALA  19           HB1      ALA  19   9.665   0.702   5.252
  136    HB2  ALA  19           HB2      ALA  19  11.128   1.664   5.047
  137    HB3  ALA  19           HB3      ALA  19   9.546   2.399   4.783
  138    H    GLY  20           HN       GLY  20   9.012   4.318   6.296
  139    HA2  GLY  20           HA2      GLY  20   9.719   6.444   7.273
  140    HA3  GLY  20           HA1      GLY  20  11.359   5.803   7.312
  141    H    ILE  21           HN       ILE  21   9.498   5.084   4.562
  142    HA   ILE  21           HA       ILE  21  11.248   6.505   2.825
  143    HB   ILE  21           HB       ILE  21   8.639   5.038   2.314
  144   HG12  ILE  21          HG12      ILE  21  10.374   3.549   3.104
  145   HG13  ILE  21          HG11      ILE  21  10.079   3.250   1.396
  146   HG21  ILE  21          HG21      ILE  21   8.953   6.642   0.533
  147   HG22  ILE  21          HG22      ILE  21   9.207   5.002  -0.068
  148   HG23  ILE  21          HG23      ILE  21  10.591   6.048   0.257
  149   HD11  ILE  21          HD11      ILE  21  12.377   4.822   2.546
  150   HD12  ILE  21          HD12      ILE  21  12.084   4.526   0.833
  151   HD13  ILE  21          HD13      ILE  21  12.453   3.177   1.910
  152    HA   PRO  22           HA       PRO  22   9.619  10.654   2.750
  153    HB2  PRO  22           HB2      PRO  22   9.702  10.060  -0.181
  154    HB3  PRO  22           HB1      PRO  22  10.198  11.522   0.684
  155    HG2  PRO  22           HG2      PRO  22  11.988   9.700  -0.091
  156    HG3  PRO  22           HG1      PRO  22  12.156  10.584   1.436
  157    HD2  PRO  22           HD2      PRO  22  11.505   7.750   0.978
  158    HD3  PRO  22           HD1      PRO  22  12.136   8.542   2.434
  159    H    VAL  23           HN       VAL  23   7.715  11.370   2.974
  160    HA   VAL  23           HA       VAL  23   5.382   9.829   2.474
  161    HB   VAL  23           HB       VAL  23   4.149  11.754   3.452
  162   HG11  VAL  23          HG11      VAL  23   5.078  10.019   4.884
  163   HG12  VAL  23          HG12      VAL  23   5.153  11.598   5.667
  164   HG13  VAL  23          HG13      VAL  23   6.609  10.892   4.960
  165   HG21  VAL  23          HG21      VAL  23   6.895  12.968   3.537
  166   HG22  VAL  23          HG22      VAL  23   5.450  13.668   4.296
  167   HG23  VAL  23          HG23      VAL  23   5.561  13.510   2.532
  168    H    GLU  24           HN       GLU  24   6.950  11.439   0.211
  169    HA   GLU  24           HA       GLU  24   4.499  12.070  -1.298
  170    HB2  GLU  24           HB2      GLU  24   7.102  13.618  -1.326
  171    HB3  GLU  24           HB1      GLU  24   5.724  13.930  -2.366
  172    HG2  GLU  24           HG2      GLU  24   4.402  14.665  -0.529
  173    HG3  GLU  24           HG1      GLU  24   5.612  14.111   0.632
  174    H    ASP  25           HN       ASP  25   6.690   9.870  -0.985
  175    HA   ASP  25           HA       ASP  25   7.529   9.823  -3.797
  176    HB2  ASP  25           HB2      ASP  25   9.350   9.992  -2.179
  177    HB3  ASP  25           HB1      ASP  25   8.812   8.534  -1.383
  178    H    VAL  26           HN       VAL  26   5.197   8.539  -1.923
  179    HA   VAL  26           HA       VAL  26   5.449   5.839  -2.960
  180    HB   VAL  26           HB       VAL  26   3.507   6.982  -0.900
  181   HG11  VAL  26          HG11      VAL  26   3.043   4.655  -0.308
  182   HG12  VAL  26          HG12      VAL  26   4.113   4.113  -1.602
  183   HG13  VAL  26          HG13      VAL  26   2.630   4.983  -1.991
  184   HG21  VAL  26          HG21      VAL  26   4.881   5.846   0.779
  185   HG22  VAL  26          HG22      VAL  26   5.788   7.085  -0.087
  186   HG23  VAL  26          HG23      VAL  26   6.027   5.383  -0.480
  187    H    LYS  27           HN       LYS  27   5.121   6.809  -5.011
  188    HA   LYS  27           HA       LYS  27   2.435   7.813  -5.618
  189    HB2  LYS  27           HB2      LYS  27   4.961   7.836  -7.274
  190    HB3  LYS  27           HB1      LYS  27   3.412   8.526  -7.731
  191    HG2  LYS  27           HG2      LYS  27   5.022   9.406  -5.356
  192    HG3  LYS  27           HG1      LYS  27   5.025  10.200  -6.929
  193    HD2  LYS  27           HD2      LYS  27   2.582  10.563  -6.688
  194    HD3  LYS  27           HD1      LYS  27   2.669   9.871  -5.067
  195    HE2  LYS  27           HE2      LYS  27   2.706  12.313  -4.982
  196    HE3  LYS  27           HE1      LYS  27   4.225  11.638  -4.397
  197    HZ1  LYS  27           HZ1      LYS  27   4.602  13.527  -5.859
  198    HZ2  LYS  27           HZ2      LYS  27   3.756  12.762  -7.112
  199    HZ3  LYS  27           HZ3      LYS  27   5.223  12.132  -6.565
  200    H    LEU  28           HN       LEU  28   1.572   7.135  -7.906
  201    HA   LEU  28           HA       LEU  28   1.074   4.411  -7.749
  202    HB2  LEU  28           HB2      LEU  28   0.364   6.423  -9.863
  203    HB3  LEU  28           HB1      LEU  28  -0.054   4.730 -10.030
  204    HG   LEU  28           HG       LEU  28  -1.185   4.977  -7.764
  205   HD11  LEU  28          HD11      LEU  28  -1.015   7.870  -8.402
  206   HD12  LEU  28          HD12      LEU  28  -0.291   6.989  -7.038
  207   HD13  LEU  28          HD13      LEU  28  -2.048   7.098  -7.187
  208   HD21  LEU  28          HD21      LEU  28  -2.493   4.677  -9.779
  209   HD22  LEU  28          HD22      LEU  28  -2.379   6.403 -10.134
  210   HD23  LEU  28          HD23      LEU  28  -3.275   5.855  -8.723
  211    H    ASP  29           HN       ASP  29   3.603   5.981  -9.365
  212    HA   ASP  29           HA       ASP  29   4.068   3.663 -11.099
  213    HB2  ASP  29           HB2      ASP  29   5.471   6.329 -10.937
  214    HB3  ASP  29           HB1      ASP  29   5.966   5.022 -12.004
  215    H    LYS  30           HN       LYS  30   4.566   4.052  -8.001
  216    HA   LYS  30           HA       LYS  30   7.387   3.274  -8.026
  217    HB2  LYS  30           HB2      LYS  30   5.666   4.239  -5.735
  218    HB3  LYS  30           HB1      LYS  30   7.401   3.960  -5.705
  219    HG2  LYS  30           HG2      LYS  30   6.159   5.995  -7.529
  220    HG3  LYS  30           HG1      LYS  30   6.562   6.367  -5.862
  221    HD2  LYS  30           HD2      LYS  30   8.535   5.343  -7.906
  222    HD3  LYS  30           HD1      LYS  30   8.291   7.053  -7.536
  223    HE2  LYS  30           HE2      LYS  30   8.790   6.441  -5.116
  224    HE3  LYS  30           HE1      LYS  30   9.332   4.883  -5.727
  225    HZ1  LYS  30           HZ1      LYS  30  10.975   6.104  -7.120
  226    HZ2  LYS  30           HZ2      LYS  30  11.190   6.358  -5.467
  227    HZ3  LYS  30           HZ3      LYS  30  10.464   7.542  -6.383
  228    H    SER  31           HN       SER  31   7.639   1.138  -7.874
  229    HA   SER  31           HA       SER  31   5.547  -0.542  -6.849
  230    HB2  SER  31           HB2      SER  31   8.362  -1.147  -7.801
  231    HB3  SER  31           HB1      SER  31   7.168  -2.373  -7.376
  232    HG   SER  31           HG       SER  31   7.105  -0.510  -9.531
  233    H    PHE  32           HN       PHE  32   5.485  -1.313  -4.847
  234    HA   PHE  32           HA       PHE  32   6.917  -0.136  -2.755
  235    HB2  PHE  32           HB2      PHE  32   5.353  -2.713  -2.817
  236    HB3  PHE  32           HB1      PHE  32   6.053  -2.046  -1.348
  237    HD1  PHE  32           HD2      PHE  32   3.699  -1.336  -4.094
  238    HD2  PHE  32           HD1      PHE  32   4.952  -0.382  -0.151
  239    HE1  PHE  32           HE2      PHE  32   1.696   0.065  -3.801
  240    HE2  PHE  32           HE1      PHE  32   2.964   1.018   0.151
  241    HZ   PHE  32           HZ       PHE  32   1.320   1.223  -1.670
  242    H    THR  33           HN       THR  33   7.317  -3.452  -4.001
  243    HA   THR  33           HA       THR  33   9.715  -3.672  -2.480
  244    HB   THR  33           HB       THR  33   9.645  -6.006  -3.639
  245    HG1  THR  33           HG1      THR  33   7.061  -6.143  -3.925
  246   HG21  THR  33          HG21      THR  33   9.113  -5.596  -1.264
  247   HG22  THR  33          HG22      THR  33   8.007  -6.779  -1.965
  248   HG23  THR  33          HG23      THR  33   7.477  -5.115  -1.717
  249    H    ASP  34           HN       ASP  34  10.005  -1.676  -4.408
  250    HA   ASP  34           HA       ASP  34  12.328  -2.650  -5.825
  251    HB2  ASP  34           HB2      ASP  34  10.530  -3.186  -7.468
  252    HB3  ASP  34           HB1      ASP  34  10.066  -1.487  -7.461
  253    H    ASP  35           HN       ASP  35  10.050   0.081  -6.069
  254    HA   ASP  35           HA       ASP  35  12.206   1.976  -6.377
  255    HB2  ASP  35           HB2      ASP  35   9.222   2.401  -6.144
  256    HB3  ASP  35           HB1      ASP  35  10.400   3.627  -6.570
  257    H    LEU  36           HN       LEU  36   9.932   0.966  -3.987
  258    HA   LEU  36           HA       LEU  36  10.570   3.213  -2.256
  259    HB2  LEU  36           HB2      LEU  36   8.576   0.989  -1.934
  260    HB3  LEU  36           HB1      LEU  36   8.720   2.373  -0.878
  261    HG   LEU  36           HG       LEU  36   7.863   2.377  -3.767
  262   HD11  LEU  36          HD11      LEU  36   5.721   3.130  -2.878
  263   HD12  LEU  36          HD12      LEU  36   6.347   2.975  -1.237
  264   HD13  LEU  36          HD13      LEU  36   6.167   1.543  -2.251
  265   HD21  LEU  36          HD21      LEU  36   8.188   4.684  -1.852
  266   HD22  LEU  36          HD22      LEU  36   7.443   4.763  -3.453
  267   HD23  LEU  36          HD23      LEU  36   9.151   4.350  -3.296
  268    H    ASP  37           HN       ASP  37  10.256  -0.282  -1.901
  269    HA   ASP  37           HA       ASP  37  11.013  -1.798  -0.528
  270    HB2  ASP  37           HB2      ASP  37  13.350  -1.339  -1.095
  271    HB3  ASP  37           HB1      ASP  37  13.387   0.008   0.049
  272    H    VAL  38           HN       VAL  38   9.822  -2.172   1.022
  273    HA   VAL  38           HA       VAL  38   9.879  -0.250   3.231
  274    HB   VAL  38           HB       VAL  38   7.470  -1.963   2.615
  275   HG11  VAL  38          HG11      VAL  38   7.631  -1.066   4.863
  276   HG12  VAL  38          HG12      VAL  38   6.315  -0.277   3.989
  277   HG13  VAL  38          HG13      VAL  38   7.848   0.561   4.219
  278   HG21  VAL  38          HG21      VAL  38   7.920   0.883   1.687
  279   HG22  VAL  38          HG22      VAL  38   6.403  -0.005   1.560
  280   HG23  VAL  38          HG23      VAL  38   7.817  -0.541   0.651
  281    H    ASP  39           HN       ASP  39  11.754  -1.971   3.265
  282    HA   ASP  39           HA       ASP  39  12.840  -3.567   4.481
  283    HB2  ASP  39           HB2      ASP  39  11.577  -2.338   6.331
  284    HB3  ASP  39           HB1      ASP  39  10.375  -3.622   6.153
  285    H    SER  40           HN       SER  40  10.828  -4.079   2.512
  286    HA   SER  40           HA       SER  40   9.839  -5.582   1.293
  287    HB2  SER  40           HB2      SER  40  11.082  -7.785   0.925
  288    HB3  SER  40           HB1      SER  40  11.983  -6.309   0.819
  289    H    LEU  41           HN       LEU  41  10.273  -7.671   4.199
  290    HA   LEU  41           HA       LEU  41   7.721  -8.820   3.575
  291    HB2  LEU  41           HB2      LEU  41   7.909 -10.077   5.703
  292    HB3  LEU  41           HB1      LEU  41   9.290 -10.273   4.659
  293    HG   LEU  41           HG       LEU  41  10.551  -8.681   6.153
  294   HD11  LEU  41          HD11      LEU  41   8.195  -9.049   8.009
  295   HD12  LEU  41          HD12      LEU  41   8.610  -7.570   7.158
  296   HD13  LEU  41          HD13      LEU  41   9.714  -8.211   8.385
  297   HD21  LEU  41          HD21      LEU  41  10.905 -10.338   7.910
  298   HD22  LEU  41          HD22      LEU  41  10.821 -11.078   6.311
  299   HD23  LEU  41          HD23      LEU  41   9.441 -11.180   7.403
  300    H    SER  42           HN       SER  42   8.819  -6.236   5.430
  301    HA   SER  42           HA       SER  42   6.618  -5.931   7.129
  302    HB2  SER  42           HB2      SER  42   8.680  -3.910   6.252
  303    HB3  SER  42           HB1      SER  42   7.547  -3.689   7.590
  304    HG   SER  42           HG       SER  42   9.896  -5.123   7.535
  305    H    MET  43           HN       MET  43   6.885  -5.463   3.872
  306    HA   MET  43           HA       MET  43   5.278  -3.385   3.242
  307    HB2  MET  43           HB2      MET  43   6.286  -4.665   1.452
  308    HB3  MET  43           HB1      MET  43   5.449  -6.122   1.962
  309    HG2  MET  43           HG2      MET  43   4.054  -3.708   0.962
  310    HG3  MET  43           HG1      MET  43   4.742  -4.940  -0.123
  311    HE1  MET  43           HE1      MET  43   4.116  -7.615   1.421
  312    HE2  MET  43           HE2      MET  43   3.786  -7.373  -0.297
  313    HE3  MET  43           HE3      MET  43   2.537  -8.047   0.757
  314    H    VAL  44           HN       VAL  44   4.395  -6.614   4.115
  315    HA   VAL  44           HA       VAL  44   1.639  -6.532   3.897
  316    HB   VAL  44           HB       VAL  44   3.181  -8.097   5.991
  317   HG11  VAL  44          HG11      VAL  44   0.794  -8.034   6.488
  318   HG12  VAL  44          HG12      VAL  44   1.277  -9.648   5.966
  319   HG13  VAL  44          HG13      VAL  44   0.425  -8.578   4.851
  320   HG21  VAL  44          HG21      VAL  44   2.355  -8.866   3.189
  321   HG22  VAL  44          HG22      VAL  44   3.116  -9.934   4.373
  322   HG23  VAL  44          HG23      VAL  44   3.997  -8.531   3.756
  323    H    GLU  45           HN       GLU  45   3.674  -5.482   6.553
  324    HA   GLU  45           HA       GLU  45   1.595  -4.968   8.404
  325    HB2  GLU  45           HB2      GLU  45   4.391  -3.846   8.286
  326    HB3  GLU  45           HB1      GLU  45   3.309  -3.741   9.672
  327    HG2  GLU  45           HG2      GLU  45   3.233  -6.227   9.716
  328    HG3  GLU  45           HG1      GLU  45   4.436  -6.228   8.447
  329    H    VAL  46           HN       VAL  46   3.245  -3.005   6.006
  330    HA   VAL  46           HA       VAL  46   2.036  -0.527   6.406
  331    HB   VAL  46           HB       VAL  46   2.578  -1.889   3.742
  332   HG11  VAL  46          HG11      VAL  46   2.272   1.051   4.363
  333   HG12  VAL  46          HG12      VAL  46   1.132   0.056   3.461
  334   HG13  VAL  46          HG13      VAL  46   2.736   0.374   2.802
  335   HG21  VAL  46          HG21      VAL  46   4.315  -0.090   5.393
  336   HG22  VAL  46          HG22      VAL  46   4.691  -0.684   3.773
  337   HG23  VAL  46          HG23      VAL  46   4.548  -1.814   5.118
  338    H    VAL  47           HN       VAL  47   0.995  -3.240   4.387
  339    HA   VAL  47           HA       VAL  47  -1.462  -2.380   3.488
  340    HB   VAL  47           HB       VAL  47  -0.741  -5.201   4.335
  341   HG11  VAL  47          HG11      VAL  47  -3.150  -4.941   3.985
  342   HG12  VAL  47          HG12      VAL  47  -2.433  -5.911   2.696
  343   HG13  VAL  47          HG13      VAL  47  -2.853  -4.225   2.400
  344   HG21  VAL  47          HG21      VAL  47  -0.123  -5.503   1.992
  345   HG22  VAL  47          HG22      VAL  47   0.858  -4.264   2.778
  346   HG23  VAL  47          HG23      VAL  47  -0.449  -3.797   1.694
  347    H    VAL  48           HN       VAL  48  -0.864  -4.314   6.418
  348    HA   VAL  48           HA       VAL  48  -3.418  -4.387   7.499
  349    HB   VAL  48           HB       VAL  48  -0.805  -4.118   9.028
  350   HG11  VAL  48          HG11      VAL  48  -2.724  -3.685  10.468
  351   HG12  VAL  48          HG12      VAL  48  -1.962  -5.222  10.876
  352   HG13  VAL  48          HG13      VAL  48  -3.464  -5.200   9.947
  353   HG21  VAL  48          HG21      VAL  48  -0.785  -6.000   7.487
  354   HG22  VAL  48          HG22      VAL  48  -2.315  -6.577   8.149
  355   HG23  VAL  48          HG23      VAL  48  -0.866  -6.563   9.156
  356    H    ALA  49           HN       ALA  49  -1.014  -1.832   7.887
  357    HA   ALA  49           HA       ALA  49  -2.632  -0.243   9.643
  358    HB1  ALA  49           HB1      ALA  49  -0.153   0.520   8.110
  359    HB2  ALA  49           HB2      ALA  49  -0.192  -0.166   9.736
  360    HB3  ALA  49           HB3      ALA  49  -0.879   1.430   9.436
  361    H    ALA  50           HN       ALA  50  -2.144  -0.448   6.232
  362    HA   ALA  50           HA       ALA  50  -3.511   1.968   5.560
  363    HB1  ALA  50           HB1      ALA  50  -2.990  -0.510   3.898
  364    HB2  ALA  50           HB2      ALA  50  -1.946   0.909   3.987
  365    HB3  ALA  50           HB3      ALA  50  -3.554   1.040   3.277
  366    H    GLU  51           HN       GLU  51  -4.366  -1.416   5.971
  367    HA   GLU  51           HA       GLU  51  -7.054  -1.292   5.275
  368    HB2  GLU  51           HB2      GLU  51  -5.742  -2.996   7.403
  369    HB3  GLU  51           HB1      GLU  51  -7.376  -3.227   6.807
  370    HG2  GLU  51           HG2      GLU  51  -6.466  -3.668   4.570
  371    HG3  GLU  51           HG1      GLU  51  -4.835  -3.505   5.226
  372    H    GLU  52           HN       GLU  52  -5.362  -0.438   8.128
  373    HA   GLU  52           HA       GLU  52  -7.562   0.160   9.797
  374    HB2  GLU  52           HB2      GLU  52  -5.273  -0.203  10.578
  375    HB3  GLU  52           HB1      GLU  52  -4.752   1.242   9.739
  376    HG2  GLU  52           HG2      GLU  52  -6.211   2.572  11.213
  377    HG3  GLU  52           HG1      GLU  52  -6.601   1.092  12.095
  378    H    ARG  53           HN       ARG  53  -5.406   2.169   7.823
  379    HA   ARG  53           HA       ARG  53  -6.520   4.674   8.164
  380    HB2  ARG  53           HB2      ARG  53  -4.385   4.512   7.118
  381    HB3  ARG  53           HB1      ARG  53  -5.025   3.485   5.840
  382    HG2  ARG  53           HG2      ARG  53  -4.552   5.678   4.962
  383    HG3  ARG  53           HG1      ARG  53  -6.283   5.385   4.942
  384    HD2  ARG  53           HD2      ARG  53  -6.398   6.717   7.095
  385    HD3  ARG  53           HD1      ARG  53  -4.712   7.164   6.804
  386    HE   ARG  53           HE       ARG  53  -6.872   7.705   4.873
  387   HH11  ARG  53          HH11      ARG  53  -4.004   8.853   6.631
  388   HH12  ARG  53          HH12      ARG  53  -4.031  10.394   5.899
  389   HH21  ARG  53          HH21      ARG  53  -6.869   9.835   3.889
  390   HH22  ARG  53          HH22      ARG  53  -5.660  10.944   4.271
  391    H    PHE  54           HN       PHE  54  -7.297   2.391   5.550
  392    HA   PHE  54           HA       PHE  54  -9.381   4.260   4.621
  393    HB2  PHE  54           HB2      PHE  54  -8.644   1.647   3.320
  394    HB3  PHE  54           HB1      PHE  54  -9.480   3.020   2.607
  395    HD1  PHE  54           HD1      PHE  54  -8.091   5.249   2.794
  396    HD2  PHE  54           HD2      PHE  54  -6.481   1.336   2.699
  397    HE1  PHE  54           HE1      PHE  54  -5.958   6.152   1.901
  398    HE2  PHE  54           HE2      PHE  54  -4.358   2.210   1.820
  399    HZ   PHE  54           HZ       PHE  54  -4.014   4.555   1.565
  400    H    ASP  55           HN       ASP  55  -9.168   1.802   6.753
  401    HA   ASP  55           HA       ASP  55 -10.453   0.192   7.622
  402    HB2  ASP  55           HB2      ASP  55 -11.992   2.185   7.966
  403    HB3  ASP  55           HB1      ASP  55 -12.822   1.724   6.482
  404    H    VAL  56           HN       VAL  56  -9.336  -0.241   5.229
  405    HA   VAL  56           HA       VAL  56 -11.276  -1.639   3.577
  406    HB   VAL  56           HB       VAL  56  -9.383  -0.131   2.603
  407   HG11  VAL  56          HG11      VAL  56  -7.449  -0.985   3.749
  408   HG12  VAL  56          HG12      VAL  56  -7.291  -1.255   2.000
  409   HG13  VAL  56          HG13      VAL  56  -7.720  -2.583   3.038
  410   HG21  VAL  56          HG21      VAL  56  -9.817  -2.869   1.447
  411   HG22  VAL  56          HG22      VAL  56  -9.137  -1.492   0.580
  412   HG23  VAL  56          HG23      VAL  56 -10.800  -1.433   1.164
  413    H    LYS  57           HN       LYS  57 -10.080  -3.777   2.654
  414    HA   LYS  57           HA       LYS  57  -8.947  -5.339   4.836
  415    HB2  LYS  57           HB2      LYS  57 -11.432  -6.226   3.322
  416    HB3  LYS  57           HB1      LYS  57 -10.493  -7.252   4.383
  417    HG2  LYS  57           HG2      LYS  57 -12.337  -6.682   5.664
  418    HG3  LYS  57           HG1      LYS  57 -11.110  -5.545   6.217
  419    HD2  LYS  57           HD2      LYS  57 -12.060  -3.820   4.758
  420    HD3  LYS  57           HD1      LYS  57 -13.279  -4.967   4.197
  421    HE2  LYS  57           HE2      LYS  57 -12.916  -3.959   7.018
  422    HE3  LYS  57           HE1      LYS  57 -14.199  -3.496   5.902
  423    HZ1  LYS  57           HZ1      LYS  57 -13.774  -6.139   7.179
  424    HZ2  LYS  57           HZ2      LYS  57 -14.748  -5.965   5.862
  425    HZ3  LYS  57           HZ3      LYS  57 -15.138  -5.139   7.294
  426    H    ILE  58           HN       ILE  58  -7.175  -6.104   3.930
  427    HA   ILE  58           HA       ILE  58  -7.434  -7.270   1.263
  428    HB   ILE  58           HB       ILE  58  -4.960  -5.614   1.865
  429   HG12  ILE  58          HG12      ILE  58  -7.391  -4.678   0.300
  430   HG13  ILE  58          HG11      ILE  58  -6.942  -4.075   1.888
  431   HG21  ILE  58          HG21      ILE  58  -4.729  -5.729  -0.578
  432   HG22  ILE  58          HG22      ILE  58  -6.289  -6.539  -0.667
  433   HG23  ILE  58          HG23      ILE  58  -4.920  -7.361   0.097
  434   HD11  ILE  58          HD11      ILE  58  -6.270  -2.540   0.131
  435   HD12  ILE  58          HD12      ILE  58  -5.314  -3.812  -0.630
  436   HD13  ILE  58          HD13      ILE  58  -4.859  -3.198   0.959
  437    HA   PRO  59           HA       PRO  59  -5.401 -10.317   3.963
  438    HB2  PRO  59           HB2      PRO  59  -6.118 -12.029   1.652
  439    HB3  PRO  59           HB1      PRO  59  -6.478 -12.246   3.370
  440    HG2  PRO  59           HG2      PRO  59  -8.386 -11.551   1.648
  441    HG3  PRO  59           HG1      PRO  59  -8.342 -10.887   3.293
  442    HD2  PRO  59           HD2      PRO  59  -7.494  -9.631   0.716
  443    HD3  PRO  59           HD1      PRO  59  -8.383  -8.916   2.080
  444    H    ASP  60           HN       ASP  60  -3.554 -11.784   3.555
  445    HA   ASP  60           HA       ASP  60  -1.562 -10.566   1.989
  446    HB2  ASP  60           HB2      ASP  60  -0.109 -12.473   2.499
  447    HB3  ASP  60           HB1      ASP  60  -0.918 -11.881   3.944
  448    H    ASP  61           HN       ASP  61  -3.716 -13.223   1.334
  449    HA   ASP  61           HA       ASP  61  -2.489 -14.131  -1.021
  450    HB2  ASP  61           HB2      ASP  61  -4.204 -15.464   0.062
  451    HB3  ASP  61           HB1      ASP  61  -5.403 -14.206  -0.224
  452    H    ASP  62           HN       ASP  62  -4.573 -11.487  -0.342
  453    HA   ASP  62           HA       ASP  62  -5.122 -10.865  -3.090
  454    HB2  ASP  62           HB2      ASP  62  -5.836  -9.608  -0.471
  455    HB3  ASP  62           HB1      ASP  62  -5.965  -8.657  -1.941
  456    H    VAL  63           HN       VAL  63  -2.973  -9.638  -0.549
  457    HA   VAL  63           HA       VAL  63  -2.241  -7.387  -2.087
  458    HB   VAL  63           HB       VAL  63  -2.113  -7.449   0.399
  459   HG11  VAL  63          HG11      VAL  63   0.410  -9.029  -0.017
  460   HG12  VAL  63          HG12      VAL  63  -1.094  -9.643   0.651
  461   HG13  VAL  63          HG13      VAL  63  -0.189  -8.393   1.520
  462   HG21  VAL  63          HG21      VAL  63  -1.043  -5.692  -0.833
  463   HG22  VAL  63          HG22      VAL  63   0.402  -6.683  -1.040
  464   HG23  VAL  63          HG23      VAL  63  -0.065  -6.127   0.567
  465    H    LYS  64           HN       LYS  64  -1.087 -10.617  -2.107
  466    HA   LYS  64           HA       LYS  64   1.510 -10.041  -3.091
  467    HB2  LYS  64           HB2      LYS  64   1.701 -12.421  -3.610
  468    HB3  LYS  64           HB1      LYS  64   1.029 -12.165  -2.011
  469    HG2  LYS  64           HG2      LYS  64  -1.229 -12.554  -2.981
  470    HG3  LYS  64           HG1      LYS  64  -0.435 -12.996  -4.493
  471    HD2  LYS  64           HD2      LYS  64   0.748 -14.796  -3.378
  472    HD3  LYS  64           HD1      LYS  64   0.049 -14.317  -1.827
  473    HE2  LYS  64           HE2      LYS  64  -2.221 -14.696  -2.906
  474    HE3  LYS  64           HE1      LYS  64  -1.345 -15.449  -4.227
  475    HZ1  LYS  64           HZ1      LYS  64  -0.572 -17.156  -2.844
  476    HZ2  LYS  64           HZ2      LYS  64  -2.222 -16.945  -2.407
  477    HZ3  LYS  64           HZ3      LYS  64  -1.005 -16.321  -1.436
  478    H    ASN  65           HN       ASN  65  -1.399  -9.577  -4.574
  479    HA   ASN  65           HA       ASN  65  -0.479 -10.182  -7.277
  480    HB2  ASN  65           HB2      ASN  65  -3.131  -9.024  -6.372
  481    HB3  ASN  65           HB1      ASN  65  -2.722  -9.598  -7.980
  482   HD21  ASN  65          HD21      ASN  65  -3.779 -10.413  -4.859
  483   HD22  ASN  65          HD22      ASN  65  -4.036 -12.097  -5.098
  484    H    LEU  66           HN       LEU  66  -0.006  -7.794  -5.098
  485    HA   LEU  66           HA       LEU  66  -0.556  -5.634  -6.928
  486    HB2  LEU  66           HB2      LEU  66   0.268  -5.570  -4.032
  487    HB3  LEU  66           HB1      LEU  66  -0.038  -4.147  -5.016
  488    HG   LEU  66           HG       LEU  66  -2.057  -6.271  -4.297
  489   HD11  LEU  66          HD11      LEU  66  -3.160  -4.492  -3.054
  490   HD12  LEU  66          HD12      LEU  66  -1.837  -3.395  -3.449
  491   HD13  LEU  66          HD13      LEU  66  -1.541  -4.810  -2.436
  492   HD21  LEU  66          HD21      LEU  66  -3.679  -4.830  -5.412
  493   HD22  LEU  66          HD22      LEU  66  -2.447  -5.417  -6.529
  494   HD23  LEU  66          HD23      LEU  66  -2.373  -3.763  -5.926
  495    H    LYS  67           HN       LYS  67   1.218  -3.762  -6.475
  496    HA   LYS  67           HA       LYS  67   3.876  -4.744  -7.034
  497    HB2  LYS  67           HB2      LYS  67   2.728  -5.226  -9.088
  498    HB3  LYS  67           HB1      LYS  67   2.072  -3.601  -9.157
  499    HG2  LYS  67           HG2      LYS  67   4.489  -2.839  -9.304
  500    HG3  LYS  67           HG1      LYS  67   4.875  -4.532  -9.689
  501    HD2  LYS  67           HD2      LYS  67   3.039  -2.645 -11.170
  502    HD3  LYS  67           HD1      LYS  67   4.551  -3.335 -11.756
  503    HE2  LYS  67           HE2      LYS  67   3.539  -5.568 -11.766
  504    HE3  LYS  67           HE1      LYS  67   2.037  -4.907 -11.126
  505    HZ1  LYS  67           HZ1      LYS  67   1.843  -5.203 -13.477
  506    HZ2  LYS  67           HZ2      LYS  67   3.243  -4.299 -13.762
  507    HZ3  LYS  67           HZ3      LYS  67   1.859  -3.553 -13.131
  508    H    THR  68           HN       THR  68   1.936  -1.980  -8.174
  509    HA   THR  68           HA       THR  68   3.801  -0.157  -6.831
  510    HB   THR  68           HB       THR  68   2.938   1.530  -8.408
  511    HG1  THR  68           HG1      THR  68   1.427  -0.629  -9.556
  512   HG21  THR  68          HG21      THR  68   3.786  -1.005  -9.828
  513   HG22  THR  68          HG22      THR  68   4.875   0.199  -9.137
  514   HG23  THR  68          HG23      THR  68   3.849   0.622 -10.508
  515    H    VAL  69           HN       VAL  69   2.359   2.092  -6.484
  516    HA   VAL  69           HA       VAL  69   0.186   1.143  -4.893
  517    HB   VAL  69           HB       VAL  69  -0.106   3.127  -3.878
  518   HG11  VAL  69          HG11      VAL  69   2.752   3.247  -4.595
  519   HG12  VAL  69          HG12      VAL  69   1.941   2.408  -3.254
  520   HG13  VAL  69          HG13      VAL  69   1.954   4.173  -3.310
  521   HG21  VAL  69          HG21      VAL  69   1.048   4.656  -6.181
  522   HG22  VAL  69          HG22      VAL  69   0.506   5.370  -4.664
  523   HG23  VAL  69          HG23      VAL  69  -0.648   4.548  -5.715
  524    H    GLY  70           HN       GLY  70   0.620   1.914  -8.071
  525    HA2  GLY  70           HA2      GLY  70  -1.876   3.127  -8.621
  526    HA3  GLY  70           HA1      GLY  70  -0.872   2.257  -9.786
  527    H    ASP  71           HN       ASP  71  -0.570  -0.113  -8.663
  528    HA   ASP  71           HA       ASP  71  -2.848  -1.659  -9.168
  529    HB2  ASP  71           HB2      ASP  71  -0.503  -2.297  -7.351
  530    HB3  ASP  71           HB1      ASP  71  -1.679  -3.468  -7.912
  531    H    ALA  72           HN       ALA  72  -1.340  -0.677  -6.150
  532    HA   ALA  72           HA       ALA  72  -3.141  -1.772  -4.365
  533    HB1  ALA  72           HB1      ALA  72  -0.928  -0.942  -3.744
  534    HB2  ALA  72           HB2      ALA  72  -2.193  -0.294  -2.701
  535    HB3  ALA  72           HB3      ALA  72  -1.491   0.714  -3.969
  536    H    THR  73           HN       THR  73  -3.164   1.515  -5.730
  537    HA   THR  73           HA       THR  73  -5.082   2.653  -4.222
  538    HB   THR  73           HB       THR  73  -4.555   3.102  -7.180
  539    HG1  THR  73           HG1      THR  73  -2.797   3.554  -5.797
  540   HG21  THR  73          HG21      THR  73  -6.760   4.019  -6.596
  541   HG22  THR  73          HG22      THR  73  -5.581   5.305  -6.888
  542   HG23  THR  73          HG23      THR  73  -6.033   4.882  -5.237
  543    H    LYS  74           HN       LYS  74  -5.698   1.180  -7.465
  544    HA   LYS  74           HA       LYS  74  -8.523   1.300  -7.328
  545    HB2  LYS  74           HB2      LYS  74  -6.669  -0.369  -9.009
  546    HB3  LYS  74           HB1      LYS  74  -8.404  -0.554  -9.102
  547    HG2  LYS  74           HG2      LYS  74  -7.579   0.780 -10.917
  548    HG3  LYS  74           HG1      LYS  74  -8.610   1.747  -9.865
  549    HD2  LYS  74           HD2      LYS  74  -6.707   2.878  -8.948
  550    HD3  LYS  74           HD1      LYS  74  -5.596   1.756  -9.731
  551    HE2  LYS  74           HE2      LYS  74  -5.720   3.940 -10.889
  552    HE3  LYS  74           HE1      LYS  74  -6.194   2.593 -11.912
  553    HZ1  LYS  74           HZ1      LYS  74  -8.125   4.388 -10.512
  554    HZ2  LYS  74           HZ2      LYS  74  -8.509   3.222 -11.680
  555    HZ3  LYS  74           HZ3      LYS  74  -7.622   4.584 -12.094
  556    H    TYR  75           HN       TYR  75  -6.232  -0.986  -6.170
  557    HA   TYR  75           HA       TYR  75  -7.990  -3.197  -5.972
  558    HB2  TYR  75           HB2      TYR  75  -5.405  -3.099  -6.037
  559    HB3  TYR  75           HB1      TYR  75  -5.525  -2.822  -4.307
  560    HD1  TYR  75           HD2      TYR  75  -6.373  -4.576  -2.841
  561    HD2  TYR  75           HD1      TYR  75  -5.883  -5.179  -7.007
  562    HE1  TYR  75           HE2      TYR  75  -6.544  -6.921  -2.474
  563    HE2  TYR  75           HE1      TYR  75  -6.044  -7.591  -6.709
  564    HH   TYR  75           HH       TYR  75  -7.124  -9.049  -3.875
  565    H    ILE  76           HN       ILE  76  -6.725  -0.778  -3.749
  566    HA   ILE  76           HA       ILE  76  -8.104  -1.574  -1.431
  567    HB   ILE  76           HB       ILE  76  -6.972   1.106  -2.296
  568   HG12  ILE  76          HG12      ILE  76  -5.964  -0.893  -0.272
  569   HG13  ILE  76          HG11      ILE  76  -5.415  -0.846  -1.938
  570   HG21  ILE  76          HG21      ILE  76  -7.184   1.818   0.046
  571   HG22  ILE  76          HG22      ILE  76  -8.014   0.308   0.426
  572   HG23  ILE  76          HG23      ILE  76  -8.759   1.470  -0.671
  573   HD11  ILE  76          HD11      ILE  76  -4.560   1.425  -1.552
  574   HD12  ILE  76          HD12      ILE  76  -3.836   0.238  -0.467
  575   HD13  ILE  76          HD13      ILE  76  -5.096   1.327   0.127
  576    H    LEU  77           HN       LEU  77  -8.814   0.792  -3.978
  577    HA   LEU  77           HA       LEU  77 -11.247   1.709  -3.021
  578    HB2  LEU  77           HB2      LEU  77 -10.323   1.378  -5.872
  579    HB3  LEU  77           HB1      LEU  77 -11.774   2.243  -5.416
  580    HG   LEU  77           HG       LEU  77  -8.967   3.009  -4.619
  581   HD11  LEU  77          HD11      LEU  77  -9.373   3.332  -6.992
  582   HD12  LEU  77          HD12      LEU  77  -9.284   4.878  -6.148
  583   HD13  LEU  77          HD13      LEU  77 -10.851   4.221  -6.626
  584   HD21  LEU  77          HD21      LEU  77 -11.596   4.423  -4.221
  585   HD22  LEU  77          HD22      LEU  77 -10.004   5.068  -3.819
  586   HD23  LEU  77          HD23      LEU  77 -10.630   3.661  -2.960
  587    H    ASP  78           HN       ASP  78 -10.485  -1.132  -4.877
  588    HA   ASP  78           HA       ASP  78 -13.124  -1.998  -5.395
  589    HB2  ASP  78           HB2      ASP  78 -11.251  -2.802  -6.693
  590    HB3  ASP  78           HB1      ASP  78 -10.519  -3.512  -5.263
  591    H    HIS  79           HN       HIS  79 -10.773  -2.873  -2.926
  592    HA   HIS  79           HA       HIS  79 -12.566  -4.718  -1.671
  593    HB2  HIS  79           HB2      HIS  79  -9.764  -3.991  -1.264
  594    HB3  HIS  79           HB1      HIS  79 -10.627  -4.549   0.166
  595    HD1  HIS  79           HD1      HIS  79 -11.689  -6.964   0.030
  596    HD2  HIS  79           HD2      HIS  79  -9.111  -5.973  -3.078
  597    HE1  HIS  79           HE1      HIS  79 -11.067  -9.125  -1.036
  598    HE2  HIS  79           HE2      HIS  79  -9.259  -8.533  -2.635
  599    H    GLN  80           HN       GLN  80 -12.827  -1.482  -1.493
  600    HA   GLN  80           HA       GLN  80 -13.336  -1.500   1.388
  601    HB2  GLN  80           HB2      GLN  80 -13.147   0.890   1.304
  602    HB3  GLN  80           HB1      GLN  80 -11.702   0.143   0.626
  603    HG2  GLN  80           HG2      GLN  80 -12.588   0.587  -1.635
  604    HG3  GLN  80           HG1      GLN  80 -13.983   1.375  -0.911
  605   HE21  GLN  80          HE21      GLN  80 -10.707   1.697   0.298
  606   HE22  GLN  80          HE22      GLN  80 -10.542   3.365  -0.126
  607    H    ALA  81           HN       ALA  81 -15.108   0.019   2.016
  608    HA   ALA  81           HA       ALA  81 -17.396  -0.201   0.206
  609    HB1  ALA  81           HB1      ALA  81 -18.761  -0.045   2.267
  610    HB2  ALA  81           HB2      ALA  81 -17.286   0.010   3.227
  611    HB3  ALA  81           HB3      ALA  81 -17.686  -1.443   2.311
  612    H2   SOO 101           H2A      SOO 101   4.574  -4.728  -2.654
  613    H3   SOO 101           H3A      SOO 101   1.673  -5.749  -2.366
  614    H4   SOO 101           H4A      SOO 101   2.811  -3.490  -0.957
  615    H4A  SOO 101           H4B      SOO 101   2.528  -2.923  -2.607
  616    H5   SOO 101           H5A      SOO 101   0.446  -4.305  -0.934
  617    H5A  SOO 101           H5B      SOO 101   0.205  -3.444  -2.451
  618    H6   SOO 101           H6A      SOO 101   0.779  -1.343  -1.380
  619    H6A  SOO 101           H6B      SOO 101   1.080  -2.188   0.142
  620    H7   SOO 101           H7A      SOO 101  -1.276  -2.915   0.191
  621    H7A  SOO 101           H7B      SOO 101  -1.565  -2.015  -1.311
  622    H8   SOO 101           H8C      SOO 101  -2.254  -0.734   0.656
  623    H8A  SOO 101           H8A      SOO 101  -0.912   0.050  -0.177
  624    H8B  SOO 101           H8B      SOO 101  -0.619  -0.856   1.308
  625    H28  SOO 101          H28A      SOO 101   9.981 -10.398   2.728
  626   H28A  SOO 101          H28B      SOO 101   9.880  -9.066   1.618
  627    H30  SOO 101          H30A      SOO 101  10.707 -11.426  -1.286
  628   H30A  SOO 101          H30B      SOO 101  11.966 -10.815  -0.207
  629   H30B  SOO 101          H30C      SOO 101  10.736  -9.720  -0.845
  630    H31  SOO 101          H31A      SOO 101  11.338 -12.540   1.480
  631   H31A  SOO 101          H31B      SOO 101  10.056 -13.151   0.436
  632   H31B  SOO 101          H31C      SOO 101   9.679 -12.623   2.076
  633    H32  SOO 101          H32A      SOO 101   8.346  -9.889  -0.098
  634   HO33  SOO 101          H33A      SOO 101   8.399 -12.650  -0.614
  635   HN36  SOO 101          H36A      SOO 101   6.601 -11.896  -0.213
  636    H37  SOO 101          H37A      SOO 101   5.412 -12.862   2.219
  637   H37A  SOO 101          H37B      SOO 101   4.774 -11.286   1.811
  638    H38  SOO 101          H38A      SOO 101   4.503 -13.768   0.140
  639   H38A  SOO 101          H38B      SOO 101   3.234 -12.697   0.840
  640   HN41  SOO 101          H41A      SOO 101   4.805 -10.492  -0.007
  641    H42  SOO 101          H42A      SOO 101   5.068 -10.365  -2.870
  642   H42A  SOO 101          H42B      SOO 101   3.647  -9.498  -2.277
  643    H43  SOO 101          H43A      SOO 101   6.526  -9.007  -1.461
  644   H43A  SOO 101          H43B      SOO 101   5.111  -8.188  -0.787
  Start of MODEL   13
    1    H1   ALA   1           HT1      ALA   1 -15.565   6.304   2.524
    2    H2   ALA   1           HT2      ALA   1 -14.282   5.307   2.974
    3    H3   ALA   1           HT3      ALA   1 -15.745   4.608   2.442
    4    HA   ALA   1           HA       ALA   1 -14.053   4.515   0.751
    5    HB1  ALA   1           HB1      ALA   1 -15.205   5.718  -1.045
    6    HB2  ALA   1           HB2      ALA   1 -16.119   6.637   0.151
    7    HB3  ALA   1           HB3      ALA   1 -16.358   4.894   0.005
    8    H    ALA   2           HN       ALA   2 -12.568   5.674  -0.629
    9    HA   ALA   2           HA       ALA   2 -11.794   8.337   0.292
   10    HB1  ALA   2           HB1      ALA   2  -9.893   5.982   0.134
   11    HB2  ALA   2           HB2      ALA   2 -10.438   6.772   1.614
   12    HB3  ALA   2           HB3      ALA   2  -9.438   7.654   0.461
   13    H    THR   3           HN       THR   3  -9.745   8.952  -1.264
   14    HA   THR   3           HA       THR   3 -10.552   8.154  -3.964
   15    HB   THR   3           HB       THR   3  -9.603  10.396  -4.611
   16    HG1  THR   3           HG1      THR   3  -9.602  11.844  -2.609
   17   HG21  THR   3          HG21      THR   3 -11.519  11.702  -3.799
   18   HG22  THR   3          HG22      THR   3 -11.847  10.464  -2.589
   19   HG23  THR   3          HG23      THR   3 -12.040  10.090  -4.307
   20    H    GLN   4           HN       GLN   4  -8.520   8.732  -5.528
   21    HA   GLN   4           HA       GLN   4  -6.397   7.100  -4.788
   22    HB2  GLN   4           HB2      GLN   4  -7.050   7.372  -7.080
   23    HB3  GLN   4           HB1      GLN   4  -6.831   9.100  -7.018
   24    HG2  GLN   4           HG2      GLN   4  -4.459   7.349  -6.563
   25    HG3  GLN   4           HG1      GLN   4  -5.117   7.458  -8.192
   26   HE21  GLN   4          HE21      GLN   4  -3.472   9.145  -5.652
   27   HE22  GLN   4          HE22      GLN   4  -3.036  10.525  -6.578
   28    H    GLU   5           HN       GLU   5  -6.947  10.542  -4.695
   29    HA   GLU   5           HA       GLU   5  -4.349  11.381  -4.071
   30    HB2  GLU   5           HB2      GLU   5  -6.217  12.838  -4.822
   31    HB3  GLU   5           HB1      GLU   5  -6.993  12.610  -3.267
   32    HG2  GLU   5           HG2      GLU   5  -5.887  14.765  -3.412
   33    HG3  GLU   5           HG1      GLU   5  -5.154  13.753  -2.169
   34    H    GLU   6           HN       GLU   6  -7.049  10.339  -2.032
   35    HA   GLU   6           HA       GLU   6  -5.689  10.880   0.394
   36    HB2  GLU   6           HB2      GLU   6  -8.159   9.270  -0.181
   37    HB3  GLU   6           HB1      GLU   6  -7.535   9.561   1.438
   38    HG2  GLU   6           HG2      GLU   6  -8.438  11.661  -0.518
   39    HG3  GLU   6           HG1      GLU   6  -9.344  11.090   0.884
   40    H    ILE   7           HN       ILE   7  -6.159   8.027  -1.595
   41    HA   ILE   7           HA       ILE   7  -5.093   6.188   0.249
   42    HB   ILE   7           HB       ILE   7  -5.420   6.009  -2.758
   43   HG12  ILE   7          HG12      ILE   7  -6.888   4.724  -0.446
   44   HG13  ILE   7          HG11      ILE   7  -7.463   6.085  -1.401
   45   HG21  ILE   7          HG21      ILE   7  -3.545   4.559  -2.115
   46   HG22  ILE   7          HG22      ILE   7  -4.955   3.596  -2.561
   47   HG23  ILE   7          HG23      ILE   7  -4.541   3.814  -0.861
   48   HD11  ILE   7          HD11      ILE   7  -7.555   4.652  -3.370
   49   HD12  ILE   7          HD12      ILE   7  -8.539   4.014  -2.050
   50   HD13  ILE   7          HD13      ILE   7  -6.966   3.298  -2.406
   51    H    VAL   8           HN       VAL   8  -3.581   7.582  -2.639
   52    HA   VAL   8           HA       VAL   8  -1.042   6.510  -2.376
   53    HB   VAL   8           HB       VAL   8  -1.965   9.160  -3.529
   54   HG11  VAL   8          HG11      VAL   8   0.431   9.331  -3.028
   55   HG12  VAL   8          HG12      VAL   8   0.131   9.246  -4.765
   56   HG13  VAL   8          HG13      VAL   8   0.716   7.821  -3.901
   57   HG21  VAL   8          HG21      VAL   8  -2.877   7.186  -4.571
   58   HG22  VAL   8          HG22      VAL   8  -1.258   6.518  -4.771
   59   HG23  VAL   8          HG23      VAL   8  -1.728   7.976  -5.648
   60    H    ALA   9           HN       ALA   9  -2.016   9.764  -1.287
   61    HA   ALA   9           HA       ALA   9   0.373  10.341   0.052
   62    HB1  ALA   9           HB1      ALA   9  -0.830  12.219   1.028
   63    HB2  ALA   9           HB2      ALA   9  -2.364  11.497   0.539
   64    HB3  ALA   9           HB3      ALA   9  -1.219  12.043  -0.683
   65    H    GLY  10           HN       GLY  10  -2.404   8.497   1.094
   66    HA2  GLY  10           HA2      GLY  10  -1.810   8.806   3.915
   67    HA3  GLY  10           HA1      GLY  10  -3.072   7.805   3.205
   68    H    LEU  11           HN       LEU  11  -1.577   6.347   1.414
   69    HA   LEU  11           HA       LEU  11  -0.692   4.160   2.830
   70    HB2  LEU  11           HB2      LEU  11  -1.222   4.805   0.244
   71    HB3  LEU  11           HB1      LEU  11   0.525   4.733   0.199
   72    HG   LEU  11           HG       LEU  11  -1.331   2.533   1.039
   73   HD11  LEU  11          HD11      LEU  11  -1.455   2.954  -1.341
   74   HD12  LEU  11          HD12      LEU  11  -0.625   1.428  -1.042
   75   HD13  LEU  11          HD13      LEU  11   0.302   2.867  -1.474
   76   HD21  LEU  11          HD21      LEU  11   0.655   1.075   1.006
   77   HD22  LEU  11          HD22      LEU  11   0.801   2.360   2.207
   78   HD23  LEU  11          HD23      LEU  11   1.666   2.483   0.678
   79    H    ALA  12           HN       ALA  12   1.005   6.839   1.339
   80    HA   ALA  12           HA       ALA  12   3.622   6.061   1.804
   81    HB1  ALA  12           HB1      ALA  12   4.208   8.339   1.392
   82    HB2  ALA  12           HB2      ALA  12   2.525   8.843   1.611
   83    HB3  ALA  12           HB3      ALA  12   2.977   7.795   0.257
   84    H    GLU  13           HN       GLU  13   1.358   7.703   3.946
   85    HA   GLU  13           HA       GLU  13   3.345   8.400   5.842
   86    HB2  GLU  13           HB2      GLU  13   0.353   8.203   6.074
   87    HB3  GLU  13           HB1      GLU  13   1.380   8.656   7.430
   88    HG2  GLU  13           HG2      GLU  13   2.241  10.540   6.091
   89    HG3  GLU  13           HG1      GLU  13   1.108  10.108   4.812
   90    H    ILE  14           HN       ILE  14   1.147   5.672   5.547
   91    HA   ILE  14           HA       ILE  14   2.059   4.387   7.907
   92    HB   ILE  14           HB       ILE  14   0.695   3.236   5.437
   93   HG12  ILE  14          HG12      ILE  14  -1.174   2.765   7.051
   94   HG13  ILE  14          HG11      ILE  14  -0.262   3.599   8.295
   95   HG21  ILE  14          HG21      ILE  14   2.146   1.503   6.305
   96   HG22  ILE  14          HG22      ILE  14   0.458   1.104   6.610
   97   HG23  ILE  14          HG23      ILE  14   1.472   1.714   7.920
   98   HD11  ILE  14          HD11      ILE  14  -1.352   4.810   5.771
   99   HD12  ILE  14          HD12      ILE  14  -0.443   5.668   7.015
  100   HD13  ILE  14          HD13      ILE  14  -2.027   4.984   7.392
  101    H    VAL  15           HN       VAL  15   3.078   4.204   4.552
  102    HA   VAL  15           HA       VAL  15   5.162   2.368   4.762
  103    HB   VAL  15           HB       VAL  15   4.872   4.803   2.968
  104   HG11  VAL  15          HG11      VAL  15   7.242   4.274   3.167
  105   HG12  VAL  15          HG12      VAL  15   6.638   3.857   1.565
  106   HG13  VAL  15          HG13      VAL  15   6.914   2.590   2.763
  107   HG21  VAL  15          HG21      VAL  15   4.341   3.140   1.258
  108   HG22  VAL  15          HG22      VAL  15   3.228   3.051   2.622
  109   HG23  VAL  15          HG23      VAL  15   4.514   1.855   2.455
  110    H    ASN  16           HN       ASN  16   5.083   5.797   5.420
  111    HA   ASN  16           HA       ASN  16   7.811   6.169   5.973
  112    HB2  ASN  16           HB2      ASN  16   6.129   7.939   5.439
  113    HB3  ASN  16           HB1      ASN  16   5.491   7.741   7.066
  114   HD21  ASN  16          HD21      ASN  16   8.151   8.727   5.163
  115   HD22  ASN  16          HD22      ASN  16   8.956   9.695   6.328
  116    H    GLU  17           HN       GLU  17   5.063   5.331   8.001
  117    HA   GLU  17           HA       GLU  17   6.374   5.414  10.497
  118    HB2  GLU  17           HB2      GLU  17   4.091   3.640   9.611
  119    HB3  GLU  17           HB1      GLU  17   4.574   3.927  11.274
  120    HG2  GLU  17           HG2      GLU  17   3.640   5.996   9.365
  121    HG3  GLU  17           HG1      GLU  17   2.586   5.217  10.560
  122    H    ILE  18           HN       ILE  18   5.598   2.697   8.394
  123    HA   ILE  18           HA       ILE  18   6.883   0.663   9.846
  124    HB   ILE  18           HB       ILE  18   6.325   0.810   6.878
  125   HG12  ILE  18          HG12      ILE  18   4.334   1.187   8.193
  126   HG13  ILE  18          HG11      ILE  18   4.249  -0.382   7.405
  127   HG21  ILE  18          HG21      ILE  18   6.813  -1.588   8.640
  128   HG22  ILE  18          HG22      ILE  18   7.898  -0.968   7.394
  129   HG23  ILE  18          HG23      ILE  18   6.331  -1.642   6.944
  130   HD11  ILE  18          HD11      ILE  18   4.871  -1.455   9.533
  131   HD12  ILE  18          HD12      ILE  18   3.381  -0.520   9.657
  132   HD13  ILE  18          HD13      ILE  18   4.888   0.130  10.311
  133    H    ALA  19           HN       ALA  19   7.959   2.451   6.978
  134    HA   ALA  19           HA       ALA  19  10.643   1.322   7.429
  135    HB1  ALA  19           HB1      ALA  19   9.497   2.371   4.845
  136    HB2  ALA  19           HB2      ALA  19   9.666   0.671   5.282
  137    HB3  ALA  19           HB3      ALA  19  11.099   1.672   5.061
  138    H    GLY  20           HN       GLY  20   9.131   4.194   6.096
  139    HA2  GLY  20           HA2      GLY  20   9.845   6.351   7.167
  140    HA3  GLY  20           HA1      GLY  20  11.484   5.709   7.096
  141    H    ILE  21           HN       ILE  21   9.464   5.006   4.446
  142    HA   ILE  21           HA       ILE  21  11.072   6.554   2.660
  143    HB   ILE  21           HB       ILE  21   8.470   5.038   2.195
  144   HG12  ILE  21          HG12      ILE  21  10.249   3.540   2.931
  145   HG13  ILE  21          HG11      ILE  21   9.860   3.249   1.242
  146   HG21  ILE  21          HG21      ILE  21   8.772   6.679   0.440
  147   HG22  ILE  21          HG22      ILE  21   9.017   5.051  -0.195
  148   HG23  ILE  21          HG23      ILE  21  10.406   6.086   0.136
  149   HD11  ILE  21          HD11      ILE  21  12.258   3.147   1.634
  150   HD12  ILE  21          HD12      ILE  21  12.236   4.792   2.272
  151   HD13  ILE  21          HD13      ILE  21  11.859   4.501   0.577
  152    HA   PRO  22           HA       PRO  22   9.177  10.564   2.998
  153    HB2  PRO  22           HB2      PRO  22   9.160  10.300   0.015
  154    HB3  PRO  22           HB1      PRO  22   9.624  11.684   1.015
  155    HG2  PRO  22           HG2      PRO  22  11.479  10.100  -0.027
  156    HG3  PRO  22           HG1      PRO  22  11.653  10.748   1.614
  157    HD2  PRO  22           HD2      PRO  22  11.042   7.989   0.731
  158    HD3  PRO  22           HD1      PRO  22  11.811   8.557   2.227
  159    H    VAL  23           HN       VAL  23   7.226  11.200   3.289
  160    HA   VAL  23           HA       VAL  23   4.952   9.540   2.871
  161    HB   VAL  23           HB       VAL  23   3.665  11.368   3.934
  162   HG11  VAL  23          HG11      VAL  23   4.832   9.740   5.311
  163   HG12  VAL  23          HG12      VAL  23   4.830  11.332   6.067
  164   HG13  VAL  23          HG13      VAL  23   6.284  10.738   5.264
  165   HG21  VAL  23          HG21      VAL  23   4.886  13.380   4.680
  166   HG22  VAL  23          HG22      VAL  23   4.833  13.216   2.910
  167   HG23  VAL  23          HG23      VAL  23   6.296  12.790   3.780
  168    H    GLU  24           HN       GLU  24   6.260  11.040   0.520
  169    HA   GLU  24           HA       GLU  24   3.719  11.671  -0.825
  170    HB2  GLU  24           HB2      GLU  24   4.771  13.646  -1.832
  171    HB3  GLU  24           HB1      GLU  24   4.667  13.779  -0.080
  172    HG2  GLU  24           HG2      GLU  24   7.012  13.051   0.089
  173    HG3  GLU  24           HG1      GLU  24   7.105  13.037  -1.671
  174    H    ASP  25           HN       ASP  25   6.378   9.785  -0.722
  175    HA   ASP  25           HA       ASP  25   7.011  10.051  -3.556
  176    HB2  ASP  25           HB2      ASP  25   8.816  10.394  -1.932
  177    HB3  ASP  25           HB1      ASP  25   8.615   8.766  -1.326
  178    H    VAL  26           HN       VAL  26   4.921   8.384  -1.811
  179    HA   VAL  26           HA       VAL  26   5.511   5.846  -3.089
  180    HB   VAL  26           HB       VAL  26   3.505   6.502  -0.869
  181   HG11  VAL  26          HG11      VAL  26   3.280   4.078  -0.581
  182   HG12  VAL  26          HG12      VAL  26   4.345   3.813  -1.959
  183   HG13  VAL  26          HG13      VAL  26   2.774   4.580  -2.192
  184   HG21  VAL  26          HG21      VAL  26   5.032   5.290   0.615
  185   HG22  VAL  26          HG22      VAL  26   5.800   6.705  -0.101
  186   HG23  VAL  26          HG23      VAL  26   6.165   5.094  -0.723
  187    H    LYS  27           HN       LYS  27   5.080   7.170  -4.932
  188    HA   LYS  27           HA       LYS  27   2.376   8.013  -5.506
  189    HB2  LYS  27           HB2      LYS  27   4.888   8.078  -7.181
  190    HB3  LYS  27           HB1      LYS  27   3.319   8.689  -7.671
  191    HG2  LYS  27           HG2      LYS  27   3.369  10.303  -5.835
  192    HG3  LYS  27           HG1      LYS  27   4.981   9.724  -5.396
  193    HD2  LYS  27           HD2      LYS  27   5.843  10.371  -7.570
  194    HD3  LYS  27           HD1      LYS  27   4.232  10.852  -8.091
  195    HE2  LYS  27           HE2      LYS  27   5.610  12.783  -7.477
  196    HE3  LYS  27           HE1      LYS  27   4.208  12.627  -6.422
  197    HZ1  LYS  27           HZ1      LYS  27   6.900  11.609  -5.743
  198    HZ2  LYS  27           HZ2      LYS  27   5.579  11.779  -4.685
  199    HZ3  LYS  27           HZ3      LYS  27   6.366  13.130  -5.279
  200    H    LEU  28           HN       LEU  28   1.526   7.422  -7.818
  201    HA   LEU  28           HA       LEU  28   0.806   4.838  -7.754
  202    HB2  LEU  28           HB2      LEU  28   0.653   6.755 -10.044
  203    HB3  LEU  28           HB1      LEU  28   0.139   5.092 -10.254
  204    HG   LEU  28           HG       LEU  28  -1.339   5.477  -8.217
  205   HD11  LEU  28          HD11      LEU  28  -0.801   8.333  -8.806
  206   HD12  LEU  28          HD12      LEU  28  -0.469   7.410  -7.323
  207   HD13  LEU  28          HD13      LEU  28  -2.131   7.701  -7.826
  208   HD21  LEU  28          HD21      LEU  28  -2.319   5.242 -10.421
  209   HD22  LEU  28          HD22      LEU  28  -2.021   6.951 -10.758
  210   HD23  LEU  28          HD23      LEU  28  -3.168   6.486  -9.502
  211    H    ASP  29           HN       ASP  29   3.212   5.801 -10.262
  212    HA   ASP  29           HA       ASP  29   3.814   2.960 -10.263
  213    HB2  ASP  29           HB2      ASP  29   3.669   3.924 -12.505
  214    HB3  ASP  29           HB1      ASP  29   4.933   5.085 -12.114
  215    H    LYS  30           HN       LYS  30   4.421   3.319  -8.070
  216    HA   LYS  30           HA       LYS  30   7.332   3.328  -7.911
  217    HB2  LYS  30           HB2      LYS  30   5.417   4.568  -5.897
  218    HB3  LYS  30           HB1      LYS  30   7.147   4.369  -5.651
  219    HG2  LYS  30           HG2      LYS  30   6.133   5.928  -7.985
  220    HG3  LYS  30           HG1      LYS  30   6.177   6.671  -6.388
  221    HD2  LYS  30           HD2      LYS  30   8.579   5.403  -7.727
  222    HD3  LYS  30           HD1      LYS  30   8.202   7.131  -7.817
  223    HE2  LYS  30           HE2      LYS  30   8.154   7.133  -5.312
  224    HE3  LYS  30           HE1      LYS  30   8.775   5.495  -5.367
  225    HZ1  LYS  30           HZ1      LYS  30  10.782   6.239  -6.282
  226    HZ2  LYS  30           HZ2      LYS  30  10.382   7.265  -4.970
  227    HZ3  LYS  30           HZ3      LYS  30  10.170   7.816  -6.559
  228    H    SER  31           HN       SER  31   7.466   1.206  -7.836
  229    HA   SER  31           HA       SER  31   5.548  -0.428  -6.541
  230    HB2  SER  31           HB2      SER  31   6.586  -1.198  -8.541
  231    HB3  SER  31           HB1      SER  31   8.192  -1.007  -7.857
  232    HG   SER  31           HG       SER  31   6.146  -2.819  -7.099
  233    H    PHE  32           HN       PHE  32   5.643  -1.457  -4.696
  234    HA   PHE  32           HA       PHE  32   6.923  -0.232  -2.544
  235    HB2  PHE  32           HB2      PHE  32   5.589  -2.932  -2.638
  236    HB3  PHE  32           HB1      PHE  32   5.940  -1.990  -1.195
  237    HD1  PHE  32           HD1      PHE  32   4.676   0.068  -0.740
  238    HD2  PHE  32           HD2      PHE  32   3.711  -2.479  -4.008
  239    HE1  PHE  32           HE1      PHE  32   2.459   1.112  -0.901
  240    HE2  PHE  32           HE2      PHE  32   1.495  -1.436  -4.177
  241    HZ   PHE  32           HZ       PHE  32   0.867   0.360  -2.621
  242    H    THR  33           HN       THR  33   7.697  -3.160  -4.357
  243    HA   THR  33           HA       THR  33  10.021  -3.483  -2.607
  244    HB   THR  33           HB       THR  33  10.058  -5.865  -3.548
  245    HG1  THR  33           HG1      THR  33   8.623  -5.491  -5.311
  246   HG21  THR  33          HG21      THR  33   7.673  -4.984  -1.898
  247   HG22  THR  33          HG22      THR  33   9.281  -5.340  -1.273
  248   HG23  THR  33          HG23      THR  33   8.307  -6.628  -1.984
  249    H    ASP  34           HN       ASP  34   9.846  -1.690  -4.913
  250    HA   ASP  34           HA       ASP  34  12.172  -2.716  -6.354
  251    HB2  ASP  34           HB2      ASP  34  10.644  -3.311  -7.955
  252    HB3  ASP  34           HB1      ASP  34   9.574  -1.975  -7.610
  253    H    ASP  35           HN       ASP  35  10.097   0.195  -6.180
  254    HA   ASP  35           HA       ASP  35  12.532   1.747  -6.670
  255    HB2  ASP  35           HB2      ASP  35  10.330   2.175  -7.884
  256    HB3  ASP  35           HB1      ASP  35   9.727   2.805  -6.356
  257    H    LEU  36           HN       LEU  36   9.989   1.251  -4.369
  258    HA   LEU  36           HA       LEU  36  10.954   3.248  -2.517
  259    HB2  LEU  36           HB2      LEU  36   8.811   1.163  -2.185
  260    HB3  LEU  36           HB1      LEU  36   9.078   2.536  -1.138
  261    HG   LEU  36           HG       LEU  36   8.175   2.655  -4.011
  262   HD11  LEU  36          HD11      LEU  36   6.693   3.162  -1.442
  263   HD12  LEU  36          HD12      LEU  36   6.467   1.790  -2.528
  264   HD13  LEU  36          HD13      LEU  36   6.058   3.417  -3.067
  265   HD21  LEU  36          HD21      LEU  36   7.822   5.050  -3.554
  266   HD22  LEU  36          HD22      LEU  36   9.512   4.569  -3.456
  267   HD23  LEU  36          HD23      LEU  36   8.590   4.846  -1.975
  268    H    ASP  37           HN       ASP  37  10.246  -0.188  -2.223
  269    HA   ASP  37           HA       ASP  37  10.873  -1.829  -0.955
  270    HB2  ASP  37           HB2      ASP  37  13.176  -1.606  -1.818
  271    HB3  ASP  37           HB1      ASP  37  13.535  -0.417  -0.565
  272    H    VAL  38           HN       VAL  38   9.360  -1.574   0.434
  273    HA   VAL  38           HA       VAL  38   9.777   0.176   2.728
  274    HB   VAL  38           HB       VAL  38   7.347  -1.541   2.179
  275   HG11  VAL  38          HG11      VAL  38   6.170   0.141   3.538
  276   HG12  VAL  38          HG12      VAL  38   7.699   0.985   3.796
  277   HG13  VAL  38          HG13      VAL  38   7.474  -0.647   4.427
  278   HG21  VAL  38          HG21      VAL  38   6.300   0.414   1.106
  279   HG22  VAL  38          HG22      VAL  38   7.704  -0.158   0.205
  280   HG23  VAL  38          HG23      VAL  38   7.832   1.282   1.215
  281    H    ASP  39           HN       ASP  39  11.604  -1.475   2.985
  282    HA   ASP  39           HA       ASP  39  12.692  -2.961   4.210
  283    HB2  ASP  39           HB2      ASP  39  11.469  -1.779   6.067
  284    HB3  ASP  39           HB1      ASP  39  10.287  -3.080   6.049
  285    H    SER  40           HN       SER  40  10.169  -3.797   2.528
  286    HA   SER  40           HA       SER  40   9.423  -5.533   1.373
  287    HB2  SER  40           HB2      SER  40  11.034  -7.324   0.788
  288    HB3  SER  40           HB1      SER  40  11.685  -5.690   0.606
  289    H    LEU  41           HN       LEU  41  10.662  -6.851   4.380
  290    HA   LEU  41           HA       LEU  41   8.615  -8.894   4.182
  291    HB2  LEU  41           HB2      LEU  41   9.509  -9.748   6.365
  292    HB3  LEU  41           HB1      LEU  41  10.674  -9.710   5.069
  293    HG   LEU  41           HG       LEU  41  11.516  -7.527   6.125
  294   HD11  LEU  41          HD11      LEU  41   9.944  -8.592   8.454
  295   HD12  LEU  41          HD12      LEU  41   9.636  -7.108   7.560
  296   HD13  LEU  41          HD13      LEU  41  11.118  -7.270   8.507
  297   HD21  LEU  41          HD21      LEU  41  12.906  -8.745   7.716
  298   HD22  LEU  41          HD22      LEU  41  12.747  -9.612   6.187
  299   HD23  LEU  41          HD23      LEU  41  11.825 -10.130   7.599
  300    H    SER  42           HN       SER  42   9.198  -5.947   5.809
  301    HA   SER  42           HA       SER  42   7.067  -6.116   7.659
  302    HB2  SER  42           HB2      SER  42   8.692  -3.743   6.750
  303    HB3  SER  42           HB1      SER  42   7.582  -3.749   8.119
  304    HG   SER  42           HG       SER  42  10.134  -4.612   7.990
  305    H    MET  43           HN       MET  43   7.072  -5.596   4.397
  306    HA   MET  43           HA       MET  43   5.285  -3.538   4.180
  307    HB2  MET  43           HB2      MET  43   4.671  -4.487   1.814
  308    HB3  MET  43           HB1      MET  43   6.299  -3.984   2.154
  309    HG2  MET  43           HG2      MET  43   6.050  -6.062   0.833
  310    HG3  MET  43           HG1      MET  43   7.080  -6.170   2.247
  311    HE1  MET  43           HE1      MET  43   3.154  -6.405   1.683
  312    HE2  MET  43           HE2      MET  43   2.941  -8.153   1.897
  313    HE3  MET  43           HE3      MET  43   3.834  -7.560   0.507
  314    H    VAL  44           HN       VAL  44   4.589  -6.771   5.084
  315    HA   VAL  44           HA       VAL  44   1.823  -6.797   4.548
  316    HB   VAL  44           HB       VAL  44   3.308  -8.255   6.769
  317   HG11  VAL  44          HG11      VAL  44   1.439  -9.843   6.740
  318   HG12  VAL  44          HG12      VAL  44   0.607  -8.837   5.555
  319   HG13  VAL  44          HG13      VAL  44   0.905  -8.219   7.182
  320   HG21  VAL  44          HG21      VAL  44   4.209  -8.769   4.577
  321   HG22  VAL  44          HG22      VAL  44   2.593  -9.162   3.981
  322   HG23  VAL  44          HG23      VAL  44   3.343 -10.163   5.227
  323    H    GLU  45           HN       GLU  45   3.747  -5.543   7.175
  324    HA   GLU  45           HA       GLU  45   1.600  -5.022   8.956
  325    HB2  GLU  45           HB2      GLU  45   4.378  -3.832   8.863
  326    HB3  GLU  45           HB1      GLU  45   3.285  -3.800  10.244
  327    HG2  GLU  45           HG2      GLU  45   3.348  -6.243  10.351
  328    HG3  GLU  45           HG1      GLU  45   4.423  -6.271   8.968
  329    H    VAL  46           HN       VAL  46   3.310  -3.209   6.482
  330    HA   VAL  46           HA       VAL  46   2.071  -0.707   6.654
  331    HB   VAL  46           HB       VAL  46   2.621  -2.221   4.072
  332   HG11  VAL  46          HG11      VAL  46   1.239  -0.235   3.704
  333   HG12  VAL  46          HG12      VAL  46   2.840   0.010   3.028
  334   HG13  VAL  46          HG13      VAL  46   2.407   0.762   4.555
  335   HG21  VAL  46          HG21      VAL  46   4.795  -1.096   4.042
  336   HG22  VAL  46          HG22      VAL  46   4.620  -2.156   5.442
  337   HG23  VAL  46          HG23      VAL  46   4.452  -0.409   5.628
  338    H    VAL  47           HN       VAL  47   1.077  -3.582   4.844
  339    HA   VAL  47           HA       VAL  47  -1.356  -2.797   3.818
  340    HB   VAL  47           HB       VAL  47  -0.733  -5.537   4.956
  341   HG11  VAL  47          HG11      VAL  47  -2.333  -6.350   3.290
  342   HG12  VAL  47          HG12      VAL  47  -2.669  -4.687   2.811
  343   HG13  VAL  47          HG13      VAL  47  -3.086  -5.239   4.434
  344   HG21  VAL  47          HG21      VAL  47   0.998  -4.830   3.413
  345   HG22  VAL  47          HG22      VAL  47  -0.224  -4.436   2.205
  346   HG23  VAL  47          HG23      VAL  47   0.018  -6.110   2.699
  347    H    VAL  48           HN       VAL  48  -0.879  -4.517   6.907
  348    HA   VAL  48           HA       VAL  48  -3.450  -4.543   7.905
  349    HB   VAL  48           HB       VAL  48  -0.937  -4.067   9.541
  350   HG11  VAL  48          HG11      VAL  48  -3.597  -5.241  10.360
  351   HG12  VAL  48          HG12      VAL  48  -2.961  -3.669  10.840
  352   HG13  VAL  48          HG13      VAL  48  -2.160  -5.147  11.381
  353   HG21  VAL  48          HG21      VAL  48  -2.253  -6.648   8.714
  354   HG22  VAL  48          HG22      VAL  48  -0.877  -6.503   9.809
  355   HG23  VAL  48          HG23      VAL  48  -0.714  -6.024   8.118
  356    H    ALA  49           HN       ALA  49  -1.103  -1.938   8.286
  357    HA   ALA  49           HA       ALA  49  -2.894  -0.318   9.841
  358    HB1  ALA  49           HB1      ALA  49  -0.293   0.480   8.543
  359    HB2  ALA  49           HB2      ALA  49  -0.483  -0.167  10.179
  360    HB3  ALA  49           HB3      ALA  49  -1.195   1.393   9.757
  361    H    ALA  50           HN       ALA  50  -2.036  -0.575   6.479
  362    HA   ALA  50           HA       ALA  50  -3.354   1.782   5.635
  363    HB1  ALA  50           HB1      ALA  50  -1.734   0.614   4.191
  364    HB2  ALA  50           HB2      ALA  50  -3.297   0.777   3.389
  365    HB3  ALA  50           HB3      ALA  50  -2.824  -0.769   4.092
  366    H    GLU  51           HN       GLU  51  -4.332  -1.525   6.261
  367    HA   GLU  51           HA       GLU  51  -6.912  -1.395   5.296
  368    HB2  GLU  51           HB2      GLU  51  -5.893  -2.923   7.699
  369    HB3  GLU  51           HB1      GLU  51  -7.473  -3.169   6.969
  370    HG2  GLU  51           HG2      GLU  51  -6.373  -3.855   4.876
  371    HG3  GLU  51           HG1      GLU  51  -4.808  -3.642   5.654
  372    H    GLU  52           HN       GLU  52  -5.640  -0.672   8.513
  373    HA   GLU  52           HA       GLU  52  -7.923   0.246   9.715
  374    HB2  GLU  52           HB2      GLU  52  -5.057   1.069  10.077
  375    HB3  GLU  52           HB1      GLU  52  -6.363   1.457  11.184
  376    HG2  GLU  52           HG2      GLU  52  -6.709  -0.898  11.639
  377    HG3  GLU  52           HG1      GLU  52  -5.456  -1.316  10.472
  378    H    ARG  53           HN       ARG  53  -5.512   1.928   7.785
  379    HA   ARG  53           HA       ARG  53  -6.423   4.547   8.160
  380    HB2  ARG  53           HB2      ARG  53  -4.167   4.078   7.380
  381    HB3  ARG  53           HB1      ARG  53  -4.796   3.409   5.884
  382    HG2  ARG  53           HG2      ARG  53  -3.960   5.650   5.509
  383    HG3  ARG  53           HG1      ARG  53  -5.713   5.622   5.300
  384    HD2  ARG  53           HD2      ARG  53  -5.899   6.385   7.687
  385    HD3  ARG  53           HD1      ARG  53  -4.155   6.634   7.663
  386    HE   ARG  53           HE       ARG  53  -5.393   7.958   5.499
  387   HH11  ARG  53          HH11      ARG  53  -4.771   8.213   8.980
  388   HH12  ARG  53          HH12      ARG  53  -5.021   9.895   9.070
  389   HH21  ARG  53          HH21      ARG  53  -5.885  10.287   5.633
  390   HH22  ARG  53          HH22      ARG  53  -5.727  11.084   7.142
  391    H    PHE  54           HN       PHE  54  -7.198   2.250   5.534
  392    HA   PHE  54           HA       PHE  54  -8.881   4.368   4.355
  393    HB2  PHE  54           HB2      PHE  54  -8.155   1.730   3.105
  394    HB3  PHE  54           HB1      PHE  54  -8.913   3.108   2.322
  395    HD1  PHE  54           HD1      PHE  54  -7.500   5.330   2.686
  396    HD2  PHE  54           HD2      PHE  54  -5.972   1.379   2.629
  397    HE1  PHE  54           HE1      PHE  54  -5.279   6.200   1.986
  398    HE2  PHE  54           HE2      PHE  54  -3.763   2.211   1.958
  399    HZ   PHE  54           HZ       PHE  54  -3.361   4.580   1.739
  400    H    ASP  55           HN       ASP  55  -9.285   1.783   6.405
  401    HA   ASP  55           HA       ASP  55 -10.987   0.447   7.046
  402    HB2  ASP  55           HB2      ASP  55 -12.414   2.524   6.955
  403    HB3  ASP  55           HB1      ASP  55 -12.719   2.223   5.254
  404    H    VAL  56           HN       VAL  56  -9.297  -0.091   5.023
  405    HA   VAL  56           HA       VAL  56 -10.826  -1.578   3.033
  406    HB   VAL  56           HB       VAL  56  -9.030  -0.018   2.201
  407   HG11  VAL  56          HG11      VAL  56  -7.399  -0.228   3.911
  408   HG12  VAL  56          HG12      VAL  56  -6.688  -0.646   2.350
  409   HG13  VAL  56          HG13      VAL  56  -7.122  -1.917   3.492
  410   HG21  VAL  56          HG21      VAL  56  -9.713  -1.830   0.752
  411   HG22  VAL  56          HG22      VAL  56  -8.548  -2.910   1.519
  412   HG23  VAL  56          HG23      VAL  56  -7.983  -1.529   0.579
  413    H    LYS  57           HN       LYS  57  -9.633  -3.712   2.473
  414    HA   LYS  57           HA       LYS  57  -8.758  -5.153   4.877
  415    HB2  LYS  57           HB2      LYS  57 -11.095  -6.055   3.135
  416    HB3  LYS  57           HB1      LYS  57 -10.311  -7.057   4.333
  417    HG2  LYS  57           HG2      LYS  57 -12.329  -6.346   5.306
  418    HG3  LYS  57           HG1      LYS  57 -11.083  -5.354   6.055
  419    HD2  LYS  57           HD2      LYS  57 -11.648  -3.529   4.472
  420    HD3  LYS  57           HD1      LYS  57 -12.953  -4.527   3.829
  421    HE2  LYS  57           HE2      LYS  57 -12.710  -3.695   6.715
  422    HE3  LYS  57           HE1      LYS  57 -13.669  -2.835   5.512
  423    HZ1  LYS  57           HZ1      LYS  57 -14.905  -4.404   6.921
  424    HZ2  LYS  57           HZ2      LYS  57 -14.127  -5.711   6.178
  425    HZ3  LYS  57           HZ3      LYS  57 -15.096  -4.613   5.280
  426    H    ILE  58           HN       ILE  58  -6.910  -6.098   4.225
  427    HA   ILE  58           HA       ILE  58  -6.878  -7.384   1.601
  428    HB   ILE  58           HB       ILE  58  -4.504  -5.655   2.350
  429   HG12  ILE  58          HG12      ILE  58  -6.731  -4.807   0.462
  430   HG13  ILE  58          HG11      ILE  58  -6.525  -4.151   2.080
  431   HG21  ILE  58          HG21      ILE  58  -4.239  -7.469   0.714
  432   HG22  ILE  58          HG22      ILE  58  -4.061  -5.880  -0.052
  433   HG23  ILE  58          HG23      ILE  58  -5.574  -6.774  -0.214
  434   HD11  ILE  58          HD11      ILE  58  -5.632  -2.648   0.395
  435   HD12  ILE  58          HD12      ILE  58  -4.552  -3.917  -0.188
  436   HD13  ILE  58          HD13      ILE  58  -4.344  -3.257   1.434
  437    HA   PRO  59           HA       PRO  59  -4.647 -10.056   4.515
  438    HB2  PRO  59           HB2      PRO  59  -4.888 -12.335   3.023
  439    HB3  PRO  59           HB1      PRO  59  -6.155 -11.762   4.108
  440    HG2  PRO  59           HG2      PRO  59  -5.973 -11.592   1.151
  441    HG3  PRO  59           HG1      PRO  59  -7.399 -11.773   2.183
  442    HD2  PRO  59           HD2      PRO  59  -6.578  -9.410   0.982
  443    HD3  PRO  59           HD1      PRO  59  -7.663  -9.520   2.382
  444    H    ASP  60           HN       ASP  60  -2.570 -11.207   4.332
  445    HA   ASP  60           HA       ASP  60  -0.776  -9.820   2.658
  446    HB2  ASP  60           HB2      ASP  60   1.000 -11.165   3.461
  447    HB3  ASP  60           HB1      ASP  60  -0.058 -10.825   4.836
  448    H    ASP  61           HN       ASP  61  -2.457 -12.797   2.148
  449    HA   ASP  61           HA       ASP  61  -0.730 -13.555  -0.013
  450    HB2  ASP  61           HB2      ASP  61  -3.409 -14.627   0.840
  451    HB3  ASP  61           HB1      ASP  61  -2.593 -15.186  -0.619
  452    H    ASP  62           HN       ASP  62  -3.475 -11.575   0.296
  453    HA   ASP  62           HA       ASP  62  -4.015 -11.654  -2.547
  454    HB2  ASP  62           HB2      ASP  62  -5.732 -11.352  -0.536
  455    HB3  ASP  62           HB1      ASP  62  -5.271  -9.660  -0.735
  456    H    VAL  63           HN       VAL  63  -2.411  -9.640  -0.175
  457    HA   VAL  63           HA       VAL  63  -2.075  -7.416  -1.906
  458    HB   VAL  63           HB       VAL  63  -1.871  -7.147   0.567
  459   HG11  VAL  63          HG11      VAL  63   0.784  -8.515   0.270
  460   HG12  VAL  63          HG12      VAL  63  -0.638  -9.172   1.070
  461   HG13  VAL  63          HG13      VAL  63   0.162  -7.744   1.732
  462   HG21  VAL  63          HG21      VAL  63   0.539  -6.289  -0.993
  463   HG22  VAL  63          HG22      VAL  63   0.050  -5.638   0.571
  464   HG23  VAL  63          HG23      VAL  63  -0.993  -5.431  -0.839
  465    H    LYS  64           HN       LYS  64  -0.525 -10.409  -1.657
  466    HA   LYS  64           HA       LYS  64   2.020  -9.943  -2.654
  467    HB2  LYS  64           HB2      LYS  64   0.188 -12.309  -3.023
  468    HB3  LYS  64           HB1      LYS  64   1.840 -12.291  -3.614
  469    HG2  LYS  64           HG2      LYS  64   2.651 -12.018  -1.327
  470    HG3  LYS  64           HG1      LYS  64   0.982 -12.022  -0.742
  471    HD2  LYS  64           HD2      LYS  64   0.651 -14.269  -1.470
  472    HD3  LYS  64           HD1      LYS  64   2.178 -14.270  -2.346
  473    HE2  LYS  64           HE2      LYS  64   2.495 -15.519  -0.338
  474    HE3  LYS  64           HE1      LYS  64   3.348 -13.993  -0.161
  475    HZ1  LYS  64           HZ1      LYS  64   2.233 -14.494   1.842
  476    HZ2  LYS  64           HZ2      LYS  64   0.792 -14.817   1.085
  477    HZ3  LYS  64           HZ3      LYS  64   1.343 -13.222   1.184
  478    H    ASN  65           HN       ASN  65  -0.924  -9.439  -4.180
  479    HA   ASN  65           HA       ASN  65  -0.106 -10.079  -6.910
  480    HB2  ASN  65           HB2      ASN  65  -2.739  -9.151  -5.761
  481    HB3  ASN  65           HB1      ASN  65  -2.461  -9.585  -7.444
  482   HD21  ASN  65          HD21      ASN  65  -4.216 -10.723  -5.314
  483   HD22  ASN  65          HD22      ASN  65  -3.797 -12.402  -5.303
  484    H    LEU  66           HN       LEU  66   0.386  -7.522  -4.936
  485    HA   LEU  66           HA       LEU  66  -0.532  -5.486  -6.764
  486    HB2  LEU  66           HB2      LEU  66   0.867  -5.301  -4.122
  487    HB3  LEU  66           HB1      LEU  66   0.363  -3.898  -5.026
  488    HG   LEU  66           HG       LEU  66  -1.368  -5.991  -3.728
  489   HD11  LEU  66          HD11      LEU  66  -0.512  -4.277  -2.283
  490   HD12  LEU  66          HD12      LEU  66  -2.258  -4.131  -2.492
  491   HD13  LEU  66          HD13      LEU  66  -1.169  -3.020  -3.338
  492   HD21  LEU  66          HD21      LEU  66  -2.305  -5.451  -5.919
  493   HD22  LEU  66          HD22      LEU  66  -2.280  -3.729  -5.509
  494   HD23  LEU  66          HD23      LEU  66  -3.302  -4.850  -4.601
  495    H    LYS  67           HN       LYS  67   0.790  -3.933  -7.743
  496    HA   LYS  67           HA       LYS  67   3.523  -4.832  -8.210
  497    HB2  LYS  67           HB2      LYS  67   2.067  -4.951 -10.139
  498    HB3  LYS  67           HB1      LYS  67   1.541  -3.298  -9.885
  499    HG2  LYS  67           HG2      LYS  67   3.911  -2.609 -10.276
  500    HG3  LYS  67           HG1      LYS  67   4.218  -4.276 -10.790
  501    HD2  LYS  67           HD2      LYS  67   2.399  -4.049 -12.447
  502    HD3  LYS  67           HD1      LYS  67   2.228  -2.358 -11.933
  503    HE2  LYS  67           HE2      LYS  67   3.566  -2.538 -13.957
  504    HE3  LYS  67           HE1      LYS  67   4.462  -1.900 -12.566
  505    HZ1  LYS  67           HZ1      LYS  67   5.586  -3.946 -12.279
  506    HZ2  LYS  67           HZ2      LYS  67   5.711  -3.622 -13.921
  507    HZ3  LYS  67           HZ3      LYS  67   4.584  -4.758 -13.352
  508    H    THR  68           HN       THR  68   1.544  -1.894  -8.471
  509    HA   THR  68           HA       THR  68   3.557  -0.388  -6.985
  510    HB   THR  68           HB       THR  68   3.048   1.530  -8.535
  511    HG1  THR  68           HG1      THR  68   1.423  -0.429  -9.762
  512   HG21  THR  68          HG21      THR  68   4.442   0.751 -10.402
  513   HG22  THR  68          HG22      THR  68   4.236  -0.916  -9.855
  514   HG23  THR  68          HG23      THR  68   5.097   0.246  -8.845
  515    H    VAL  69           HN       VAL  69   2.153   2.095  -6.838
  516    HA   VAL  69           HA       VAL  69  -0.080   1.116  -5.313
  517    HB   VAL  69           HB       VAL  69  -0.262   3.013  -4.086
  518   HG11  VAL  69          HG11      VAL  69   1.899   3.788  -3.363
  519   HG12  VAL  69          HG12      VAL  69   2.623   2.920  -4.730
  520   HG13  VAL  69          HG13      VAL  69   1.722   2.040  -3.485
  521   HG21  VAL  69          HG21      VAL  69   0.568   5.251  -4.622
  522   HG22  VAL  69          HG22      VAL  69  -0.603   4.651  -5.799
  523   HG23  VAL  69          HG23      VAL  69   1.118   4.651  -6.185
  524    H    GLY  70           HN       GLY  70   0.442   2.214  -8.365
  525    HA2  GLY  70           HA2      GLY  70  -1.950   3.616  -8.860
  526    HA3  GLY  70           HA1      GLY  70  -1.039   2.689 -10.058
  527    H    ASP  71           HN       ASP  71  -1.008   0.259  -8.953
  528    HA   ASP  71           HA       ASP  71  -3.497  -0.930  -9.584
  529    HB2  ASP  71           HB2      ASP  71  -1.363  -2.156  -7.825
  530    HB3  ASP  71           HB1      ASP  71  -2.508  -2.982  -8.862
  531    H    ALA  72           HN       ALA  72  -1.670  -0.516  -6.601
  532    HA   ALA  72           HA       ALA  72  -3.388  -1.624  -4.782
  533    HB1  ALA  72           HB1      ALA  72  -2.180  -0.476  -3.058
  534    HB2  ALA  72           HB2      ALA  72  -1.575   0.704  -4.210
  535    HB3  ALA  72           HB3      ALA  72  -1.053  -0.982  -4.317
  536    H    THR  73           HN       THR  73  -3.384   1.752  -5.852
  537    HA   THR  73           HA       THR  73  -5.199   2.781  -4.054
  538    HB   THR  73           HB       THR  73  -4.827   3.482  -6.981
  539    HG1  THR  73           HG1      THR  73  -2.949   3.776  -5.736
  540   HG21  THR  73          HG21      THR  73  -5.782   5.666  -6.382
  541   HG22  THR  73          HG22      THR  73  -6.138   5.061  -4.764
  542   HG23  THR  73          HG23      THR  73  -6.950   4.362  -6.167
  543    H    LYS  74           HN       LYS  74  -5.908   1.600  -7.350
  544    HA   LYS  74           HA       LYS  74  -8.721   1.753  -7.229
  545    HB2  LYS  74           HB2      LYS  74  -6.839   0.156  -8.972
  546    HB3  LYS  74           HB1      LYS  74  -8.575   0.088  -9.165
  547    HG2  LYS  74           HG2      LYS  74  -7.502   1.533 -10.791
  548    HG3  LYS  74           HG1      LYS  74  -8.648   2.407  -9.770
  549    HD2  LYS  74           HD2      LYS  74  -6.815   3.364  -8.488
  550    HD3  LYS  74           HD1      LYS  74  -5.644   2.390  -9.369
  551    HE2  LYS  74           HE2      LYS  74  -7.407   4.453 -10.679
  552    HE3  LYS  74           HE1      LYS  74  -5.808   4.817 -10.042
  553    HZ1  LYS  74           HZ1      LYS  74  -6.357   2.804 -12.186
  554    HZ2  LYS  74           HZ2      LYS  74  -4.841   3.263 -11.615
  555    HZ3  LYS  74           HZ3      LYS  74  -5.785   4.368 -12.431
  556    H    TYR  75           HN       TYR  75  -6.420  -0.711  -6.547
  557    HA   TYR  75           HA       TYR  75  -8.037  -2.897  -6.212
  558    HB2  TYR  75           HB2      TYR  75  -5.637  -3.029  -6.456
  559    HB3  TYR  75           HB1      TYR  75  -5.404  -2.112  -4.983
  560    HD1  TYR  75           HD1      TYR  75  -6.296  -5.389  -6.377
  561    HD2  TYR  75           HD2      TYR  75  -5.456  -3.157  -2.866
  562    HE1  TYR  75           HE1      TYR  75  -5.995  -7.482  -5.121
  563    HE2  TYR  75           HE2      TYR  75  -5.164  -5.223  -1.609
  564    HH   TYR  75           HH       TYR  75  -4.833  -8.215  -3.077
  565    H    ILE  76           HN       ILE  76  -6.753  -0.564  -3.863
  566    HA   ILE  76           HA       ILE  76  -8.065  -1.508  -1.563
  567    HB   ILE  76           HB       ILE  76  -6.827   1.152  -2.286
  568   HG12  ILE  76          HG12      ILE  76  -5.975  -0.971  -0.313
  569   HG13  ILE  76          HG11      ILE  76  -5.387  -0.848  -1.965
  570   HG21  ILE  76          HG21      ILE  76  -7.009   1.845   0.057
  571   HG22  ILE  76          HG22      ILE  76  -7.974   0.410   0.406
  572   HG23  ILE  76          HG23      ILE  76  -8.598   1.644  -0.687
  573   HD11  ILE  76          HD11      ILE  76  -4.437   1.322  -1.467
  574   HD12  ILE  76          HD12      ILE  76  -3.802   0.069  -0.397
  575   HD13  ILE  76          HD13      ILE  76  -5.024   1.209   0.196
  576    H    LEU  77           HN       LEU  77  -8.985   0.785  -4.048
  577    HA   LEU  77           HA       LEU  77 -11.285   1.726  -2.798
  578    HB2  LEU  77           HB2      LEU  77 -10.571   1.546  -5.715
  579    HB3  LEU  77           HB1      LEU  77 -12.045   2.308  -5.152
  580    HG   LEU  77           HG       LEU  77  -9.248   3.191  -4.422
  581   HD11  LEU  77          HD11      LEU  77 -11.248   4.410  -6.327
  582   HD12  LEU  77          HD12      LEU  77  -9.749   3.596  -6.778
  583   HD13  LEU  77          HD13      LEU  77  -9.690   5.105  -5.877
  584   HD21  LEU  77          HD21      LEU  77 -10.891   3.664  -2.690
  585   HD22  LEU  77          HD22      LEU  77 -11.943   4.429  -3.880
  586   HD23  LEU  77          HD23      LEU  77 -10.379   5.148  -3.493
  587    H    ASP  78           HN       ASP  78 -10.641  -1.179  -4.516
  588    HA   ASP  78           HA       ASP  78 -13.426  -1.957  -4.792
  589    HB2  ASP  78           HB2      ASP  78 -11.708  -2.554  -6.499
  590    HB3  ASP  78           HB1      ASP  78 -10.881  -3.530  -5.294
  591    H    HIS  79           HN       HIS  79 -10.616  -2.735  -2.866
  592    HA   HIS  79           HA       HIS  79 -11.830  -4.921  -1.401
  593    HB2  HIS  79           HB2      HIS  79  -9.219  -4.060  -1.987
  594    HB3  HIS  79           HB1      HIS  79  -9.388  -4.061  -0.240
  595    HD1  HIS  79           HD1      HIS  79 -11.230  -6.600   0.050
  596    HD2  HIS  79           HD2      HIS  79  -7.830  -6.357  -2.338
  597    HE1  HIS  79           HE1      HIS  79 -10.405  -8.935  -0.207
  598    HE2  HIS  79           HE2      HIS  79  -8.348  -8.772  -1.662
  599    H    GLN  80           HN       GLN  80 -12.286  -1.690  -0.992
  600    HA   GLN  80           HA       GLN  80 -12.055  -1.815   1.917
  601    HB2  GLN  80           HB2      GLN  80 -12.461   0.602   1.953
  602    HB3  GLN  80           HB1      GLN  80 -11.117   0.163   0.905
  603    HG2  GLN  80           HG2      GLN  80 -12.591   0.435  -1.055
  604    HG3  GLN  80           HG1      GLN  80 -13.904   0.919   0.012
  605   HE21  GLN  80          HE21      GLN  80 -10.554   1.875   0.465
  606   HE22  GLN  80          HE22      GLN  80 -10.797   3.544   0.125
  607    H    ALA  81           HN       ALA  81 -13.791  -0.880   3.220
  608    HA   ALA  81           HA       ALA  81 -15.840  -0.837   4.033
  609    HB1  ALA  81           HB1      ALA  81 -16.548   0.402   2.011
  610    HB2  ALA  81           HB2      ALA  81 -17.829  -0.636   2.639
  611    HB3  ALA  81           HB3      ALA  81 -16.910  -1.131   1.217
  612    H2   SOO 101           H2A      SOO 101   3.968  -6.050  -0.679
  613    H3   SOO 101           H3A      SOO 101   2.434  -3.642  -1.880
  614    H4   SOO 101           H4A      SOO 101   2.272  -4.746   0.853
  615    H4A  SOO 101           H4B      SOO 101   3.783  -3.851   0.713
  616    H5   SOO 101           H5A      SOO 101   2.518  -1.854   0.026
  617    H5A  SOO 101           H5B      SOO 101   2.071  -2.421   1.633
  618    H6   SOO 101           H6A      SOO 101   0.102  -3.538   0.677
  619    H6A  SOO 101           H6B      SOO 101   0.534  -2.900  -0.912
  620    H7   SOO 101           H7A      SOO 101   0.291  -0.616  -0.078
  621    H7A  SOO 101           H7B      SOO 101  -0.111  -1.247   1.531
  622    H8   SOO 101           H8C      SOO 101  -1.652  -1.737  -1.014
  623    H8A  SOO 101           H8A      SOO 101  -2.119  -0.630   0.276
  624    H8B  SOO 101           H8B      SOO 101  -2.067  -2.366   0.581
  625    H28  SOO 101          H28A      SOO 101  11.987 -10.300   2.793
  626   H28A  SOO 101          H28B      SOO 101  10.733  -9.119   2.390
  627    H30  SOO 101          H30A      SOO 101  10.511  -9.428  -0.512
  628   H30A  SOO 101          H30B      SOO 101   9.147  -9.494   0.600
  629   H30B  SOO 101          H30C      SOO 101   9.393 -10.784  -0.566
  630    H31  SOO 101          H31A      SOO 101  12.403 -10.981  -0.286
  631   H31A  SOO 101          H31B      SOO 101  11.319 -12.370  -0.308
  632   H31B  SOO 101          H31C      SOO 101  12.454 -12.160   1.025
  633    H32  SOO 101          H32A      SOO 101   9.634 -12.729   1.339
  634   HO33  SOO 101          H33A      SOO 101  10.121 -12.146   3.771
  635   HN36  SOO 101          H36A      SOO 101   7.685 -11.123   0.890
  636    H37  SOO 101          H37A      SOO 101   6.300 -10.730   3.420
  637   H37A  SOO 101          H37B      SOO 101   6.285  -9.472   2.196
  638    H38  SOO 101          H38A      SOO 101   5.226 -12.315   1.856
  639   H38A  SOO 101          H38B      SOO 101   4.282 -10.845   2.132
  640   HN41  SOO 101          H41A      SOO 101   5.566  -9.148   0.501
  641    H42  SOO 101          H42A      SOO 101   6.239  -9.456  -2.057
  642   H42A  SOO 101          H42B      SOO 101   4.532  -9.871  -2.113
  643    H43  SOO 101          H43A      SOO 101   5.702  -7.278  -1.199
  644   H43A  SOO 101          H43B      SOO 101   4.007  -7.722  -1.006
  Start of MODEL   14
    1    H1   ALA   1           HT1      ALA   1 -14.611   2.245   3.054
    2    H2   ALA   1           HT2      ALA   1 -14.227   3.668   3.894
    3    H3   ALA   1           HT3      ALA   1 -12.985   2.719   3.284
    4    HA   ALA   1           HA       ALA   1 -13.787   3.172   1.029
    5    HB1  ALA   1           HB1      ALA   1 -15.459   4.920   0.718
    6    HB2  ALA   1           HB2      ALA   1 -15.658   5.053   2.464
    7    HB3  ALA   1           HB3      ALA   1 -16.129   3.570   1.633
    8    H    ALA   2           HN       ALA   2 -12.433   4.557   0.004
    9    HA   ALA   2           HA       ALA   2 -11.591   7.069   1.043
   10    HB1  ALA   2           HB1      ALA   2 -10.274   5.605   2.516
   11    HB2  ALA   2           HB2      ALA   2  -9.231   6.466   1.387
   12    HB3  ALA   2           HB3      ALA   2  -9.623   4.770   1.107
   13    H    THR   3           HN       THR   3 -10.457   8.212  -0.602
   14    HA   THR   3           HA       THR   3 -10.784   7.011  -3.239
   15    HB   THR   3           HB       THR   3 -10.555   9.291  -4.088
   16    HG1  THR   3           HG1      THR   3 -10.164  10.109  -1.377
   17   HG21  THR   3          HG21      THR   3 -12.404  10.375  -2.936
   18   HG22  THR   3          HG22      THR   3 -12.175   9.288  -1.567
   19   HG23  THR   3          HG23      THR   3 -12.741   8.642  -3.117
   20    H    GLN   4           HN       GLN   4  -8.948   8.119  -4.867
   21    HA   GLN   4           HA       GLN   4  -6.532   6.874  -4.377
   22    HB2  GLN   4           HB2      GLN   4  -7.139   7.433  -6.621
   23    HB3  GLN   4           HB1      GLN   4  -7.313   9.128  -6.237
   24    HG2  GLN   4           HG2      GLN   4  -4.605   7.870  -5.958
   25    HG3  GLN   4           HG1      GLN   4  -5.221   8.186  -7.573
   26   HE21  GLN   4          HE21      GLN   4  -4.034   9.625  -4.632
   27   HE22  GLN   4          HE22      GLN   4  -3.887  11.244  -5.194
   28    H    GLU   5           HN       GLU   5  -7.673  10.063  -3.640
   29    HA   GLU   5           HA       GLU   5  -5.228  11.237  -2.948
   30    HB2  GLU   5           HB2      GLU   5  -7.435  12.419  -3.210
   31    HB3  GLU   5           HB1      GLU   5  -7.874  11.793  -1.624
   32    HG2  GLU   5           HG2      GLU   5  -5.746  12.895  -0.785
   33    HG3  GLU   5           HG1      GLU   5  -5.723  13.745  -2.330
   34    H    GLU   6           HN       GLU   6  -7.699   9.721  -0.858
   35    HA   GLU   6           HA       GLU   6  -6.213   9.849   1.480
   36    HB2  GLU   6           HB2      GLU   6  -8.400   7.935   0.735
   37    HB3  GLU   6           HB1      GLU   6  -7.625   7.885   2.308
   38    HG2  GLU   6           HG2      GLU   6  -9.659   9.055   2.551
   39    HG3  GLU   6           HG1      GLU   6  -8.377  10.258   2.621
   40    H    ILE   7           HN       ILE   7  -6.424   7.354  -0.966
   41    HA   ILE   7           HA       ILE   7  -4.909   5.411   0.357
   42    HB   ILE   7           HB       ILE   7  -5.409   5.809  -2.611
   43   HG12  ILE   7          HG12      ILE   7  -6.602   3.873  -0.607
   44   HG13  ILE   7          HG11      ILE   7  -7.362   5.368  -1.125
   45   HG21  ILE   7          HG21      ILE   7  -3.353   4.490  -2.284
   46   HG22  ILE   7          HG22      ILE   7  -4.660   3.478  -2.901
   47   HG23  ILE   7          HG23      ILE   7  -4.220   3.406  -1.195
   48   HD11  ILE   7          HD11      ILE   7  -8.313   3.442  -2.246
   49   HD12  ILE   7          HD12      ILE   7  -6.727   3.010  -2.881
   50   HD13  ILE   7          HD13      ILE   7  -7.509   4.505  -3.400
   51    H    VAL   8           HN       VAL   8  -3.805   7.507  -2.298
   52    HA   VAL   8           HA       VAL   8  -1.099   6.784  -2.138
   53    HB   VAL   8           HB       VAL   8  -2.375   9.341  -3.160
   54   HG11  VAL   8          HG11      VAL   8   0.009   9.706  -2.724
   55   HG12  VAL   8          HG12      VAL   8  -0.330   9.673  -4.456
   56   HG13  VAL   8          HG13      VAL   8   0.403   8.270  -3.675
   57   HG21  VAL   8          HG21      VAL   8  -1.482   6.831  -4.563
   58   HG22  VAL   8          HG22      VAL   8  -2.133   8.272  -5.347
   59   HG23  VAL   8          HG23      VAL   8  -3.145   7.323  -4.258
   60    H    ALA   9           HN       ALA   9  -2.702   9.678  -0.784
   61    HA   ALA   9           HA       ALA   9  -0.354  10.661   0.479
   62    HB1  ALA   9           HB1      ALA   9  -3.234  11.317   1.094
   63    HB2  ALA   9           HB2      ALA   9  -2.244  12.109  -0.131
   64    HB3  ALA   9           HB3      ALA   9  -1.820  12.256   1.576
   65    H    GLY  10           HN       GLY  10  -2.725   8.323   1.438
   66    HA2  GLY  10           HA2      GLY  10  -2.062   8.519   4.238
   67    HA3  GLY  10           HA1      GLY  10  -3.118   7.324   3.482
   68    H    LEU  11           HN       LEU  11  -1.495   6.382   1.527
   69    HA   LEU  11           HA       LEU  11  -0.147   4.280   2.570
   70    HB2  LEU  11           HB2      LEU  11  -0.496   5.513   0.055
   71    HB3  LEU  11           HB1      LEU  11   1.203   5.147   0.200
   72    HG   LEU  11           HG       LEU  11  -0.029   3.445  -0.959
   73   HD11  LEU  11          HD11      LEU  11   1.941   2.753   0.311
   74   HD12  LEU  11          HD12      LEU  11   0.725   1.476   0.342
   75   HD13  LEU  11          HD13      LEU  11   0.949   2.516   1.749
   76   HD21  LEU  11          HD21      LEU  11  -1.528   3.091   1.603
   77   HD22  LEU  11          HD22      LEU  11  -1.638   2.016   0.199
   78   HD23  LEU  11          HD23      LEU  11  -2.163   3.704   0.078
   79    H    ALA  12           HN       ALA  12   1.278   7.290   1.405
   80    HA   ALA  12           HA       ALA  12   3.928   6.688   1.971
   81    HB1  ALA  12           HB1      ALA  12   4.367   9.012   1.770
   82    HB2  ALA  12           HB2      ALA  12   2.629   9.383   1.886
   83    HB3  ALA  12           HB3      ALA  12   3.264   8.456   0.511
   84    H    GLU  13           HN       GLU  13   1.506   8.151   4.054
   85    HA   GLU  13           HA       GLU  13   3.245   8.913   6.137
   86    HB2  GLU  13           HB2      GLU  13   0.311   8.224   6.126
   87    HB3  GLU  13           HB1      GLU  13   1.153   8.770   7.567
   88    HG2  GLU  13           HG2      GLU  13   0.917  10.325   4.996
   89    HG3  GLU  13           HG1      GLU  13  -0.069  10.574   6.438
   90    H    ILE  14           HN       ILE  14   1.298   5.997   5.673
   91    HA   ILE  14           HA       ILE  14   2.278   4.676   7.991
   92    HB   ILE  14           HB       ILE  14   0.876   3.597   5.513
   93   HG12  ILE  14          HG12      ILE  14  -0.944   3.027   7.197
   94   HG13  ILE  14          HG11      ILE  14  -0.046   3.972   8.369
   95   HG21  ILE  14          HG21      ILE  14   1.685   2.016   7.928
   96   HG22  ILE  14          HG22      ILE  14   2.320   1.847   6.292
   97   HG23  ILE  14          HG23      ILE  14   0.636   1.446   6.630
   98   HD11  ILE  14          HD11      ILE  14  -1.918   5.195   7.406
   99   HD12  ILE  14          HD12      ILE  14  -1.197   5.001   5.798
  100   HD13  ILE  14          HD13      ILE  14  -0.372   5.957   7.025
  101    H    VAL  15           HN       VAL  15   3.197   4.611   4.595
  102    HA   VAL  15           HA       VAL  15   5.145   2.647   4.744
  103    HB   VAL  15           HB       VAL  15   4.834   4.941   2.786
  104   HG11  VAL  15          HG11      VAL  15   6.476   3.818   1.362
  105   HG12  VAL  15          HG12      VAL  15   6.792   2.643   2.645
  106   HG13  VAL  15          HG13      VAL  15   7.204   4.342   2.879
  107   HG21  VAL  15          HG21      VAL  15   4.395   1.968   2.555
  108   HG22  VAL  15          HG22      VAL  15   4.156   3.152   1.269
  109   HG23  VAL  15          HG23      VAL  15   3.141   3.198   2.709
  110    H    ASN  16           HN       ASN  16   5.352   6.063   5.437
  111    HA   ASN  16           HA       ASN  16   8.172   6.159   5.584
  112    HB2  ASN  16           HB2      ASN  16   6.658   8.109   5.253
  113    HB3  ASN  16           HB1      ASN  16   6.222   7.994   6.954
  114   HD21  ASN  16          HD21      ASN  16   8.727   8.646   4.698
  115   HD22  ASN  16          HD22      ASN  16   9.762   9.557   5.734
  116    H    GLU  17           HN       GLU  17   5.698   5.466   7.997
  117    HA   GLU  17           HA       GLU  17   7.700   5.509  10.063
  118    HB2  GLU  17           HB2      GLU  17   5.849   4.786  11.594
  119    HB3  GLU  17           HB1      GLU  17   5.576   6.306  10.765
  120    HG2  GLU  17           HG2      GLU  17   4.094   5.175   9.186
  121    HG3  GLU  17           HG1      GLU  17   4.383   3.650  10.021
  122    H    ILE  18           HN       ILE  18   5.960   3.027   8.298
  123    HA   ILE  18           HA       ILE  18   7.149   0.938   9.896
  124    HB   ILE  18           HB       ILE  18   5.433   0.759   7.407
  125   HG12  ILE  18          HG12      ILE  18   4.848   0.449  10.362
  126   HG13  ILE  18          HG11      ILE  18   4.354   1.781   9.324
  127   HG21  ILE  18          HG21      ILE  18   5.164  -1.616   8.025
  128   HG22  ILE  18          HG22      ILE  18   6.299  -1.403   9.359
  129   HG23  ILE  18          HG23      ILE  18   6.859  -1.248   7.693
  130   HD11  ILE  18          HD11      ILE  18   2.524   0.255   9.787
  131   HD12  ILE  18          HD12      ILE  18   3.447  -1.074   9.084
  132   HD13  ILE  18          HD13      ILE  18   2.924   0.270   8.070
  133    H    ALA  19           HN       ALA  19   7.507   1.967   6.488
  134    HA   ALA  19           HA       ALA  19   9.818   0.198   6.295
  135    HB1  ALA  19           HB1      ALA  19   8.499   1.873   4.154
  136    HB2  ALA  19           HB2      ALA  19   8.187   0.163   4.457
  137    HB3  ALA  19           HB3      ALA  19   9.776   0.684   3.901
  138    H    GLY  20           HN       GLY  20   9.013   3.620   5.982
  139    HA2  GLY  20           HA2      GLY  20  10.553   5.253   6.940
  140    HA3  GLY  20           HA1      GLY  20  11.879   4.228   6.411
  141    H    ILE  21           HN       ILE  21   9.487   4.362   4.091
  142    HA   ILE  21           HA       ILE  21  11.231   5.816   2.339
  143    HB   ILE  21           HB       ILE  21   8.516   4.564   1.848
  144   HG12  ILE  21          HG12      ILE  21  10.188   2.920   2.371
  145   HG13  ILE  21          HG11      ILE  21   9.829   2.833   0.650
  146   HG21  ILE  21          HG21      ILE  21  10.419   5.688  -0.205
  147   HG22  ILE  21          HG22      ILE  21   8.835   6.340   0.221
  148   HG23  ILE  21          HG23      ILE  21   8.958   4.761  -0.556
  149   HD11  ILE  21          HD11      ILE  21  12.210   2.607   1.067
  150   HD12  ILE  21          HD12      ILE  21  12.227   4.165   1.897
  151   HD13  ILE  21          HD13      ILE  21  11.873   4.088   0.171
  152    HA   PRO  22           HA       PRO  22   9.993  10.042   2.768
  153    HB2  PRO  22           HB2      PRO  22   9.994   9.807  -0.213
  154    HB3  PRO  22           HB1      PRO  22  10.665  11.079   0.818
  155    HG2  PRO  22           HG2      PRO  22  12.226   9.194  -0.237
  156    HG3  PRO  22           HG1      PRO  22  12.511   9.826   1.394
  157    HD2  PRO  22           HD2      PRO  22  11.482   7.193   0.550
  158    HD3  PRO  22           HD1      PRO  22  12.286   7.660   2.059
  159    H    VAL  23           HN       VAL  23   8.150  10.995   3.030
  160    HA   VAL  23           HA       VAL  23   5.656   9.763   2.370
  161    HB   VAL  23           HB       VAL  23   4.620  11.744   3.463
  162   HG11  VAL  23          HG11      VAL  23   5.509  11.319   5.685
  163   HG12  VAL  23          HG12      VAL  23   6.893  10.491   4.971
  164   HG13  VAL  23          HG13      VAL  23   5.272   9.821   4.786
  165   HG21  VAL  23          HG21      VAL  23   6.212  13.412   2.759
  166   HG22  VAL  23          HG22      VAL  23   7.478  12.618   3.672
  167   HG23  VAL  23          HG23      VAL  23   6.133  13.397   4.534
  168    H    GLU  24           HN       GLU  24   7.442  11.239   0.265
  169    HA   GLU  24           HA       GLU  24   5.197  12.623  -1.080
  170    HB2  GLU  24           HB2      GLU  24   8.125  13.321  -1.236
  171    HB3  GLU  24           HB1      GLU  24   6.797  14.181  -1.989
  172    HG2  GLU  24           HG2      GLU  24   5.985  14.885   0.172
  173    HG3  GLU  24           HG1      GLU  24   7.243  13.938   0.974
  174    H    ASP  25           HN       ASP  25   7.118   9.977  -1.068
  175    HA   ASP  25           HA       ASP  25   7.792  10.103  -3.921
  176    HB2  ASP  25           HB2      ASP  25   9.648  10.093  -2.336
  177    HB3  ASP  25           HB1      ASP  25   9.099   8.577  -1.667
  178    H    VAL  26           HN       VAL  26   5.478   8.828  -2.031
  179    HA   VAL  26           HA       VAL  26   5.533   6.175  -3.220
  180    HB   VAL  26           HB       VAL  26   3.714   7.279  -1.034
  181   HG11  VAL  26          HG11      VAL  26   4.152   4.440  -1.948
  182   HG12  VAL  26          HG12      VAL  26   2.710   5.414  -2.237
  183   HG13  VAL  26          HG13      VAL  26   3.142   4.943  -0.592
  184   HG21  VAL  26          HG21      VAL  26   5.063   5.958   0.534
  185   HG22  VAL  26          HG22      VAL  26   6.025   7.200  -0.269
  186   HG23  VAL  26          HG23      VAL  26   6.151   5.519  -0.783
  187    H    LYS  27           HN       LYS  27   5.148   7.212  -5.220
  188    HA   LYS  27           HA       LYS  27   2.487   8.365  -5.617
  189    HB2  LYS  27           HB2      LYS  27   4.952   8.459  -7.356
  190    HB3  LYS  27           HB1      LYS  27   3.397   9.203  -7.725
  191    HG2  LYS  27           HG2      LYS  27   3.567  10.633  -5.799
  192    HG3  LYS  27           HG1      LYS  27   5.090   9.867  -5.344
  193    HD2  LYS  27           HD2      LYS  27   6.146  10.684  -7.350
  194    HD3  LYS  27           HD1      LYS  27   4.611  11.346  -7.923
  195    HE2  LYS  27           HE2      LYS  27   6.047  12.187  -5.414
  196    HE3  LYS  27           HE1      LYS  27   6.060  13.069  -6.942
  197    HZ1  LYS  27           HZ1      LYS  27   3.699  13.386  -6.770
  198    HZ2  LYS  27           HZ2      LYS  27   4.421  13.951  -5.339
  199    HZ3  LYS  27           HZ3      LYS  27   3.601  12.500  -5.343
  200    H    LEU  28           HN       LEU  28   1.461   7.844  -7.779
  201    HA   LEU  28           HA       LEU  28   0.690   5.185  -7.734
  202    HB2  LEU  28           HB2      LEU  28   0.331   7.214  -9.932
  203    HB3  LEU  28           HB1      LEU  28  -0.466   5.652  -9.902
  204    HG   LEU  28           HG       LEU  28  -0.836   7.853  -7.857
  205   HD11  LEU  28          HD11      LEU  28  -1.891   8.409  -9.972
  206   HD12  LEU  28          HD12      LEU  28  -3.108   7.988  -8.755
  207   HD13  LEU  28          HD13      LEU  28  -2.671   6.825 -10.002
  208   HD21  LEU  28          HD21      LEU  28  -2.187   5.176  -8.126
  209   HD22  LEU  28          HD22      LEU  28  -2.629   6.450  -6.987
  210   HD23  LEU  28          HD23      LEU  28  -1.064   5.660  -6.853
  211    H    ASP  29           HN       ASP  29   3.207   6.626  -9.657
  212    HA   ASP  29           HA       ASP  29   3.545   4.179 -11.203
  213    HB2  ASP  29           HB2      ASP  29   5.295   5.463 -12.436
  214    HB3  ASP  29           HB1      ASP  29   3.706   6.213 -12.489
  215    H    LYS  30           HN       LYS  30   4.214   4.501  -8.227
  216    HA   LYS  30           HA       LYS  30   7.010   3.701  -8.405
  217    HB2  LYS  30           HB2      LYS  30   5.478   4.791  -5.996
  218    HB3  LYS  30           HB1      LYS  30   7.128   4.150  -6.053
  219    HG2  LYS  30           HG2      LYS  30   6.539   6.310  -7.877
  220    HG3  LYS  30           HG1      LYS  30   6.759   6.654  -6.149
  221    HD2  LYS  30           HD2      LYS  30   8.867   5.585  -6.116
  222    HD3  LYS  30           HD1      LYS  30   8.628   4.929  -7.739
  223    HE2  LYS  30           HE2      LYS  30   8.569   6.861  -8.624
  224    HE3  LYS  30           HE1      LYS  30   8.688   7.862  -7.150
  225    HZ1  LYS  30           HZ1      LYS  30  10.801   6.193  -8.486
  226    HZ2  LYS  30           HZ2      LYS  30  10.904   6.581  -6.852
  227    HZ3  LYS  30           HZ3      LYS  30  10.927   7.811  -7.995
  228    H    SER  31           HN       SER  31   7.438   1.722  -8.114
  229    HA   SER  31           HA       SER  31   5.376  -0.083  -7.202
  230    HB2  SER  31           HB2      SER  31   6.616  -0.673  -9.230
  231    HB3  SER  31           HB1      SER  31   8.134  -0.617  -8.333
  232    HG   SER  31           HG       SER  31   6.028  -2.279  -7.482
  233    H    PHE  32           HN       PHE  32   5.391  -1.050  -5.340
  234    HA   PHE  32           HA       PHE  32   6.975  -0.321  -3.144
  235    HB2  PHE  32           HB2      PHE  32   5.442  -2.887  -3.623
  236    HB3  PHE  32           HB1      PHE  32   6.141  -2.421  -2.086
  237    HD1  PHE  32           HD1      PHE  32   5.158  -0.665  -0.771
  238    HD2  PHE  32           HD2      PHE  32   3.445  -1.899  -4.447
  239    HE1  PHE  32           HE1      PHE  32   3.067   0.474  -0.165
  240    HE2  PHE  32           HE2      PHE  32   1.344  -0.765  -3.857
  241    HZ   PHE  32           HZ       PHE  32   1.155   0.422  -1.714
  242    H    THR  33           HN       THR  33   6.968  -3.414  -4.910
  243    HA   THR  33           HA       THR  33   9.397  -4.302  -3.771
  244    HB   THR  33           HB       THR  33   8.230  -5.633  -6.112
  245    HG1  THR  33           HG1      THR  33   6.622  -5.853  -3.835
  246   HG21  THR  33          HG21      THR  33   9.858  -6.698  -4.582
  247   HG22  THR  33          HG22      THR  33   8.313  -7.552  -4.564
  248   HG23  THR  33          HG23      THR  33   8.739  -6.468  -3.238
  249    H    ASP  34           HN       ASP  34  10.120  -1.961  -5.119
  250    HA   ASP  34           HA       ASP  34  12.195  -2.801  -6.777
  251    HB2  ASP  34           HB2      ASP  34  10.434  -3.299  -8.449
  252    HB3  ASP  34           HB1      ASP  34   9.970  -1.600  -8.435
  253    H    ASP  35           HN       ASP  35   9.940  -0.012  -6.738
  254    HA   ASP  35           HA       ASP  35  12.192   1.779  -7.144
  255    HB2  ASP  35           HB2      ASP  35   9.261   2.442  -6.749
  256    HB3  ASP  35           HB1      ASP  35  10.516   3.569  -7.222
  257    H    LEU  36           HN       LEU  36   9.864   0.965  -4.687
  258    HA   LEU  36           HA       LEU  36  10.872   3.088  -2.945
  259    HB2  LEU  36           HB2      LEU  36   8.560   1.217  -2.516
  260    HB3  LEU  36           HB1      LEU  36   8.952   2.629  -1.561
  261    HG   LEU  36           HG       LEU  36   8.014   2.608  -4.424
  262   HD11  LEU  36          HD11      LEU  36   6.255   2.095  -2.843
  263   HD12  LEU  36          HD12      LEU  36   6.025   3.702  -3.529
  264   HD13  LEU  36          HD13      LEU  36   6.663   3.525  -1.896
  265   HD21  LEU  36          HD21      LEU  36   9.587   4.391  -4.066
  266   HD22  LEU  36          HD22      LEU  36   8.711   4.926  -2.626
  267   HD23  LEU  36          HD23      LEU  36   7.957   5.045  -4.223
  268    H    ASP  37           HN       ASP  37  10.168  -0.379  -2.766
  269    HA   ASP  37           HA       ASP  37  10.696  -2.013  -1.453
  270    HB2  ASP  37           HB2      ASP  37  13.115  -1.551  -1.461
  271    HB3  ASP  37           HB1      ASP  37  12.902  -0.291  -0.241
  272    H    VAL  38           HN       VAL  38   9.349  -2.602  -0.115
  273    HA   VAL  38           HA       VAL  38   8.476  -0.692   1.952
  274    HB   VAL  38           HB       VAL  38   6.859  -1.150   0.134
  275   HG11  VAL  38          HG11      VAL  38   6.908  -3.986   1.070
  276   HG12  VAL  38          HG12      VAL  38   7.439  -3.351  -0.487
  277   HG13  VAL  38          HG13      VAL  38   5.730  -3.308  -0.053
  278   HG21  VAL  38          HG21      VAL  38   5.957  -0.484   2.284
  279   HG22  VAL  38          HG22      VAL  38   5.955  -2.160   2.833
  280   HG23  VAL  38          HG23      VAL  38   4.878  -1.658   1.529
  281    H    ASP  39           HN       ASP  39  10.589  -2.561   1.869
  282    HA   ASP  39           HA       ASP  39  11.770  -3.965   3.076
  283    HB2  ASP  39           HB2      ASP  39  10.861  -2.416   4.915
  284    HB3  ASP  39           HB1      ASP  39   9.786  -3.763   5.307
  285    H    SER  40           HN       SER  40   9.077  -4.716   1.869
  286    HA   SER  40           HA       SER  40   7.894  -6.446   1.208
  287    HB2  SER  40           HB2      SER  40   9.145  -8.559   0.761
  288    HB3  SER  40           HB1      SER  40   9.878  -7.086   0.127
  289    H    LEU  41           HN       LEU  41   9.550  -7.679   4.064
  290    HA   LEU  41           HA       LEU  41   7.254  -9.313   4.628
  291    HB2  LEU  41           HB2      LEU  41   8.471  -9.977   6.732
  292    HB3  LEU  41           HB1      LEU  41   9.286 -10.363   5.239
  293    HG   LEU  41           HG       LEU  41  10.731  -8.293   5.667
  294   HD11  LEU  41          HD11      LEU  41   9.289  -7.230   7.333
  295   HD12  LEU  41          HD12      LEU  41  10.924  -7.494   7.938
  296   HD13  LEU  41          HD13      LEU  41   9.606  -8.556   8.450
  297   HD21  LEU  41          HD21      LEU  41  11.533 -10.563   5.951
  298   HD22  LEU  41          HD22      LEU  41  10.864 -10.616   7.581
  299   HD23  LEU  41          HD23      LEU  41  12.189  -9.513   7.207
  300    H    SER  42           HN       SER  42   8.593  -6.307   5.812
  301    HA   SER  42           HA       SER  42   6.627  -6.025   7.808
  302    HB2  SER  42           HB2      SER  42   8.607  -4.061   6.664
  303    HB3  SER  42           HB1      SER  42   7.478  -3.653   7.961
  304    HG   SER  42           HG       SER  42   8.792  -4.522   9.250
  305    H    MET  43           HN       MET  43   6.621  -5.676   4.541
  306    HA   MET  43           HA       MET  43   5.031  -3.546   3.970
  307    HB2  MET  43           HB2      MET  43   5.964  -4.809   2.178
  308    HB3  MET  43           HB1      MET  43   5.122  -6.266   2.685
  309    HG2  MET  43           HG2      MET  43   3.609  -3.855   1.896
  310    HG3  MET  43           HG1      MET  43   4.287  -4.915   0.642
  311    HE1  MET  43           HE1      MET  43   3.457  -7.322   0.266
  312    HE2  MET  43           HE2      MET  43   2.340  -8.212   1.316
  313    HE3  MET  43           HE3      MET  43   3.942  -7.733   1.906
  314    H    VAL  44           HN       VAL  44   4.172  -6.724   4.925
  315    HA   VAL  44           HA       VAL  44   1.456  -6.717   4.728
  316    HB   VAL  44           HB       VAL  44   3.093  -8.090   6.886
  317   HG11  VAL  44          HG11      VAL  44   1.238  -9.680   7.061
  318   HG12  VAL  44          HG12      VAL  44   0.303  -8.719   5.917
  319   HG13  VAL  44          HG13      VAL  44   0.724  -8.050   7.494
  320   HG21  VAL  44          HG21      VAL  44   3.003 -10.026   5.385
  321   HG22  VAL  44          HG22      VAL  44   3.802  -8.642   4.636
  322   HG23  VAL  44          HG23      VAL  44   2.140  -9.051   4.191
  323    H    GLU  45           HN       GLU  45   3.450  -5.410   7.351
  324    HA   GLU  45           HA       GLU  45   1.287  -4.780   9.053
  325    HB2  GLU  45           HB2      GLU  45   4.081  -3.627   9.012
  326    HB3  GLU  45           HB1      GLU  45   2.912  -3.416  10.313
  327    HG2  GLU  45           HG2      GLU  45   2.874  -5.915  10.541
  328    HG3  GLU  45           HG1      GLU  45   4.213  -5.958   9.411
  329    H    VAL  46           HN       VAL  46   3.089  -2.949   6.603
  330    HA   VAL  46           HA       VAL  46   1.839  -0.476   6.760
  331    HB   VAL  46           HB       VAL  46   2.594  -2.002   4.229
  332   HG11  VAL  46          HG11      VAL  46   2.736   0.198   3.128
  333   HG12  VAL  46          HG12      VAL  46   2.128   0.967   4.593
  334   HG13  VAL  46          HG13      VAL  46   1.102  -0.143   3.693
  335   HG21  VAL  46          HG21      VAL  46   4.171  -0.001   5.845
  336   HG22  VAL  46          HG22      VAL  46   4.682  -0.713   4.313
  337   HG23  VAL  46          HG23      VAL  46   4.481  -1.733   5.738
  338    H    VAL  47           HN       VAL  47   0.811  -3.362   4.976
  339    HA   VAL  47           HA       VAL  47  -1.610  -2.443   3.973
  340    HB   VAL  47           HB       VAL  47  -0.995  -5.269   4.892
  341   HG11  VAL  47          HG11      VAL  47  -3.071  -4.256   2.937
  342   HG12  VAL  47          HG12      VAL  47  -3.397  -4.905   4.542
  343   HG13  VAL  47          HG13      VAL  47  -2.727  -5.950   3.287
  344   HG21  VAL  47          HG21      VAL  47   0.619  -4.428   3.294
  345   HG22  VAL  47          HG22      VAL  47  -0.689  -3.952   2.210
  346   HG23  VAL  47          HG23      VAL  47  -0.409  -5.657   2.562
  347    H    VAL  48           HN       VAL  48  -1.053  -4.136   7.062
  348    HA   VAL  48           HA       VAL  48  -3.636  -4.199   8.081
  349    HB   VAL  48           HB       VAL  48  -1.129  -3.599   9.686
  350   HG11  VAL  48          HG11      VAL  48  -3.154  -3.160  10.976
  351   HG12  VAL  48          HG12      VAL  48  -2.330  -4.597  11.582
  352   HG13  VAL  48          HG13      VAL  48  -3.770  -4.764  10.578
  353   HG21  VAL  48          HG21      VAL  48  -1.040  -6.015  10.071
  354   HG22  VAL  48          HG22      VAL  48  -0.890  -5.611   8.359
  355   HG23  VAL  48          HG23      VAL  48  -2.418  -6.226   8.990
  356    H    ALA  49           HN       ALA  49  -1.346  -1.535   8.282
  357    HA   ALA  49           HA       ALA  49  -3.100   0.157   9.788
  358    HB1  ALA  49           HB1      ALA  49  -1.429   1.881   9.474
  359    HB2  ALA  49           HB2      ALA  49  -0.587   0.881   8.287
  360    HB3  ALA  49           HB3      ALA  49  -0.672   0.370   9.976
  361    H    ALA  50           HN       ALA  50  -2.355  -0.312   6.422
  362    HA   ALA  50           HA       ALA  50  -3.775   1.930   5.431
  363    HB1  ALA  50           HB1      ALA  50  -3.158  -0.728   4.129
  364    HB2  ALA  50           HB2      ALA  50  -2.154   0.722   4.049
  365    HB3  ALA  50           HB3      ALA  50  -3.747   0.701   3.286
  366    H    GLU  51           HN       GLU  51  -4.614  -1.396   6.183
  367    HA   GLU  51           HA       GLU  51  -7.253  -1.367   5.323
  368    HB2  GLU  51           HB2      GLU  51  -6.039  -2.945   7.603
  369    HB3  GLU  51           HB1      GLU  51  -7.626  -3.239   6.913
  370    HG2  GLU  51           HG2      GLU  51  -6.573  -3.780   4.752
  371    HG3  GLU  51           HG1      GLU  51  -4.996  -3.503   5.485
  372    H    GLU  52           HN       GLU  52  -5.756  -0.247   8.208
  373    HA   GLU  52           HA       GLU  52  -8.103   0.369   9.652
  374    HB2  GLU  52           HB2      GLU  52  -5.816   0.135  10.624
  375    HB3  GLU  52           HB1      GLU  52  -5.353   1.620   9.817
  376    HG2  GLU  52           HG2      GLU  52  -5.787   2.087  12.111
  377    HG3  GLU  52           HG1      GLU  52  -7.068   2.812  11.140
  378    H    ARG  53           HN       ARG  53  -5.788   2.313   7.831
  379    HA   ARG  53           HA       ARG  53  -6.899   4.827   7.981
  380    HB2  ARG  53           HB2      ARG  53  -4.626   4.362   7.294
  381    HB3  ARG  53           HB1      ARG  53  -5.200   3.639   5.806
  382    HG2  ARG  53           HG2      ARG  53  -4.398   5.779   5.238
  383    HG3  ARG  53           HG1      ARG  53  -6.152   5.892   5.209
  384    HD2  ARG  53           HD2      ARG  53  -4.424   6.750   7.524
  385    HD3  ARG  53           HD1      ARG  53  -4.970   7.832   6.254
  386    HE   ARG  53           HE       ARG  53  -7.204   6.577   7.431
  387   HH11  ARG  53          HH11      ARG  53  -4.722   9.000   8.132
  388   HH12  ARG  53          HH12      ARG  53  -5.637   9.811   9.318
  389   HH21  ARG  53          HH21      ARG  53  -8.506   7.726   9.002
  390   HH22  ARG  53          HH22      ARG  53  -7.857   9.091   9.800
  391    H    PHE  54           HN       PHE  54  -7.527   2.388   5.464
  392    HA   PHE  54           HA       PHE  54  -9.381   4.313   4.144
  393    HB2  PHE  54           HB2      PHE  54  -8.525   1.667   2.998
  394    HB3  PHE  54           HB1      PHE  54  -9.160   3.069   2.153
  395    HD1  PHE  54           HD1      PHE  54  -7.560   5.227   3.006
  396    HD2  PHE  54           HD2      PHE  54  -6.415   1.215   2.252
  397    HE1  PHE  54           HE1      PHE  54  -5.269   5.977   2.460
  398    HE2  PHE  54           HE2      PHE  54  -4.142   1.957   1.710
  399    HZ   PHE  54           HZ       PHE  54  -3.504   4.231   1.971
  400    H    ASP  55           HN       ASP  55  -9.454   1.924   6.335
  401    HA   ASP  55           HA       ASP  55 -10.717   0.218   6.992
  402    HB2  ASP  55           HB2      ASP  55 -12.444   2.072   7.125
  403    HB3  ASP  55           HB1      ASP  55 -13.005   1.593   5.527
  404    H    VAL  56           HN       VAL  56  -9.258  -0.036   4.675
  405    HA   VAL  56           HA       VAL  56 -10.809  -1.663   2.869
  406    HB   VAL  56           HB       VAL  56  -8.808  -0.228   2.079
  407   HG11  VAL  56          HG11      VAL  56  -7.188  -2.429   3.280
  408   HG12  VAL  56          HG12      VAL  56  -7.156  -0.717   3.734
  409   HG13  VAL  56          HG13      VAL  56  -6.590  -1.240   2.139
  410   HG21  VAL  56          HG21      VAL  56  -9.760  -1.872   0.593
  411   HG22  VAL  56          HG22      VAL  56  -8.764  -3.136   1.316
  412   HG23  VAL  56          HG23      VAL  56  -8.008  -1.827   0.407
  413    H    LYS  57           HN       LYS  57  -9.904  -3.913   2.467
  414    HA   LYS  57           HA       LYS  57  -8.641  -5.069   4.744
  415    HB2  LYS  57           HB2      LYS  57 -10.352  -6.817   5.035
  416    HB3  LYS  57           HB1      LYS  57 -10.906  -5.138   5.225
  417    HG2  LYS  57           HG2      LYS  57 -11.417  -6.490   2.638
  418    HG3  LYS  57           HG1      LYS  57 -12.416  -6.911   4.019
  419    HD2  LYS  57           HD2      LYS  57 -12.005  -4.073   3.054
  420    HD3  LYS  57           HD1      LYS  57 -13.321  -5.099   2.498
  421    HE2  LYS  57           HE2      LYS  57 -14.234  -3.731   4.206
  422    HE3  LYS  57           HE1      LYS  57 -14.013  -5.317   4.926
  423    HZ1  LYS  57           HZ1      LYS  57 -12.201  -2.969   5.342
  424    HZ2  LYS  57           HZ2      LYS  57 -12.043  -4.473   6.115
  425    HZ3  LYS  57           HZ3      LYS  57 -13.370  -3.518   6.400
  426    H    ILE  58           HN       ILE  58  -7.027  -6.107   4.008
  427    HA   ILE  58           HA       ILE  58  -7.261  -7.559   1.473
  428    HB   ILE  58           HB       ILE  58  -4.867  -5.776   2.078
  429   HG12  ILE  58          HG12      ILE  58  -7.088  -5.251   0.076
  430   HG13  ILE  58          HG11      ILE  58  -6.912  -4.407   1.608
  431   HG21  ILE  58          HG21      ILE  58  -4.279  -6.239  -0.256
  432   HG22  ILE  58          HG22      ILE  58  -5.740  -7.206  -0.419
  433   HG23  ILE  58          HG23      ILE  58  -4.447  -7.749   0.659
  434   HD11  ILE  58          HD11      ILE  58  -4.945  -4.362  -0.671
  435   HD12  ILE  58          HD12      ILE  58  -4.773  -3.508   0.866
  436   HD13  ILE  58          HD13      ILE  58  -6.075  -3.077  -0.242
  437    HA   PRO  59           HA       PRO  59  -5.239 -10.341   4.458
  438    HB2  PRO  59           HB2      PRO  59  -5.648 -12.570   2.882
  439    HB3  PRO  59           HB1      PRO  59  -6.812 -11.949   4.060
  440    HG2  PRO  59           HG2      PRO  59  -6.749 -11.608   1.102
  441    HG3  PRO  59           HG1      PRO  59  -8.133 -11.856   2.179
  442    HD2  PRO  59           HD2      PRO  59  -7.468  -9.437   1.159
  443    HD3  PRO  59           HD1      PRO  59  -8.250  -9.631   2.740
  444    H    ASP  60           HN       ASP  60  -3.401 -11.892   4.161
  445    HA   ASP  60           HA       ASP  60  -1.402 -10.542   2.657
  446    HB2  ASP  60           HB2      ASP  60   0.197 -12.207   3.417
  447    HB3  ASP  60           HB1      ASP  60  -0.728 -11.531   4.756
  448    H    ASP  61           HN       ASP  61  -3.110 -13.561   2.046
  449    HA   ASP  61           HA       ASP  61  -1.560 -14.432  -0.150
  450    HB2  ASP  61           HB2      ASP  61  -3.363 -15.798   0.863
  451    HB3  ASP  61           HB1      ASP  61  -4.559 -14.664   0.249
  452    H    ASP  62           HN       ASP  62  -4.148 -12.220   0.156
  453    HA   ASP  62           HA       ASP  62  -4.709 -11.715  -2.574
  454    HB2  ASP  62           HB2      ASP  62  -6.157 -11.373  -0.460
  455    HB3  ASP  62           HB1      ASP  62  -5.221  -9.895  -0.268
  456    H    VAL  63           HN       VAL  63  -2.688 -10.075  -0.109
  457    HA   VAL  63           HA       VAL  63  -2.171  -7.836  -1.752
  458    HB   VAL  63           HB       VAL  63  -2.075  -7.708   0.734
  459   HG11  VAL  63          HG11      VAL  63  -0.081  -8.396   1.938
  460   HG12  VAL  63          HG12      VAL  63   0.562  -9.117   0.467
  461   HG13  VAL  63          HG13      VAL  63  -0.898  -9.780   1.205
  462   HG21  VAL  63          HG21      VAL  63  -1.077  -5.952  -0.609
  463   HG22  VAL  63          HG22      VAL  63   0.443  -6.850  -0.657
  464   HG23  VAL  63          HG23      VAL  63  -0.150  -6.215   0.870
  465    H    LYS  64           HN       LYS  64  -0.723 -10.931  -1.635
  466    HA   LYS  64           HA       LYS  64   1.889 -10.338  -2.416
  467    HB2  LYS  64           HB2      LYS  64   0.295 -12.790  -3.144
  468    HB3  LYS  64           HB1      LYS  64   2.028 -12.625  -3.346
  469    HG2  LYS  64           HG2      LYS  64   2.199 -12.301  -0.884
  470    HG3  LYS  64           HG1      LYS  64   0.479 -12.689  -0.777
  471    HD2  LYS  64           HD2      LYS  64   2.660 -14.468  -1.866
  472    HD3  LYS  64           HD1      LYS  64   1.820 -14.660  -0.329
  473    HE2  LYS  64           HE2      LYS  64  -0.293 -15.013  -1.549
  474    HE3  LYS  64           HE1      LYS  64   0.574 -14.834  -3.071
  475    HZ1  LYS  64           HZ1      LYS  64   0.222 -17.187  -2.413
  476    HZ2  LYS  64           HZ2      LYS  64   1.113 -16.905  -1.034
  477    HZ3  LYS  64           HZ3      LYS  64   1.867 -16.793  -2.556
  478    H    ASN  65           HN       ASN  65  -0.926  -9.863  -4.165
  479    HA   ASN  65           HA       ASN  65   0.273 -10.329  -6.793
  480    HB2  ASN  65           HB2      ASN  65  -2.577  -9.826  -5.938
  481    HB3  ASN  65           HB1      ASN  65  -2.067  -9.960  -7.618
  482   HD21  ASN  65          HD21      ASN  65  -3.845 -11.628  -5.907
  483   HD22  ASN  65          HD22      ASN  65  -3.199 -13.227  -6.007
  484    H    LEU  66           HN       LEU  66   0.375  -7.879  -4.717
  485    HA   LEU  66           HA       LEU  66  -0.374  -5.818  -6.616
  486    HB2  LEU  66           HB2      LEU  66   0.558  -5.584  -3.759
  487    HB3  LEU  66           HB1      LEU  66   0.033  -4.239  -4.756
  488    HG   LEU  66           HG       LEU  66  -1.639  -6.535  -3.756
  489   HD11  LEU  66          HD11      LEU  66  -1.264  -4.803  -2.118
  490   HD12  LEU  66          HD12      LEU  66  -2.939  -4.802  -2.664
  491   HD13  LEU  66          HD13      LEU  66  -1.813  -3.580  -3.261
  492   HD21  LEU  66          HD21      LEU  66  -2.250  -6.035  -6.039
  493   HD22  LEU  66          HD22      LEU  66  -2.443  -4.324  -5.631
  494   HD23  LEU  66          HD23      LEU  66  -3.497  -5.548  -4.900
  495    H    LYS  67           HN       LYS  67   1.154  -3.929  -6.817
  496    HA   LYS  67           HA       LYS  67   3.916  -4.722  -6.676
  497    HB2  LYS  67           HB2      LYS  67   4.479  -4.410  -9.022
  498    HB3  LYS  67           HB1      LYS  67   3.289  -5.686  -8.845
  499    HG2  LYS  67           HG2      LYS  67   2.705  -2.872  -9.777
  500    HG3  LYS  67           HG1      LYS  67   3.005  -4.229 -10.846
  501    HD2  LYS  67           HD2      LYS  67   0.699  -3.910  -8.914
  502    HD3  LYS  67           HD1      LYS  67   0.625  -3.762 -10.663
  503    HE2  LYS  67           HE2      LYS  67   1.375  -6.155 -10.828
  504    HE3  LYS  67           HE1      LYS  67   1.210  -6.262  -9.077
  505    HZ1  LYS  67           HZ1      LYS  67  -1.198  -5.645  -9.384
  506    HZ2  LYS  67           HZ2      LYS  67  -0.783  -7.101 -10.103
  507    HZ3  LYS  67           HZ3      LYS  67  -0.938  -5.717 -11.045
  508    H    THR  68           HN       THR  68   1.748  -2.174  -7.906
  509    HA   THR  68           HA       THR  68   3.713  -0.215  -6.947
  510    HB   THR  68           HB       THR  68   2.617   1.297  -8.604
  511    HG1  THR  68           HG1      THR  68   1.523  -0.483 -10.244
  512   HG21  THR  68          HG21      THR  68   3.648   0.320 -10.623
  513   HG22  THR  68          HG22      THR  68   3.764  -1.239  -9.808
  514   HG23  THR  68          HG23      THR  68   4.709   0.134  -9.225
  515    H    VAL  69           HN       VAL  69   2.489   1.901  -6.319
  516    HA   VAL  69           HA       VAL  69   0.140   1.118  -4.888
  517    HB   VAL  69           HB       VAL  69  -0.116   3.371  -4.034
  518   HG11  VAL  69          HG11      VAL  69   1.462   2.007  -2.887
  519   HG12  VAL  69          HG12      VAL  69   1.964   3.699  -2.858
  520   HG13  VAL  69          HG13      VAL  69   2.758   2.560  -3.951
  521   HG21  VAL  69          HG21      VAL  69   0.440   4.606  -6.007
  522   HG22  VAL  69          HG22      VAL  69   2.135   4.161  -5.825
  523   HG23  VAL  69          HG23      VAL  69   1.354   5.183  -4.617
  524    H    GLY  70           HN       GLY  70   0.808   2.046  -7.977
  525    HA2  GLY  70           HA2      GLY  70  -1.550   3.430  -8.665
  526    HA3  GLY  70           HA1      GLY  70  -0.522   2.510  -9.768
  527    H    ASP  71           HN       ASP  71  -0.582   0.015  -8.892
  528    HA   ASP  71           HA       ASP  71  -3.184  -0.867  -9.592
  529    HB2  ASP  71           HB2      ASP  71  -0.988  -2.227  -9.871
  530    HB3  ASP  71           HB1      ASP  71  -1.167  -2.556  -8.147
  531    H    ALA  72           HN       ALA  72  -1.413  -0.542  -6.580
  532    HA   ALA  72           HA       ALA  72  -3.219  -1.800  -4.876
  533    HB1  ALA  72           HB1      ALA  72  -0.915  -1.184  -4.230
  534    HB2  ALA  72           HB2      ALA  72  -2.124  -0.682  -3.051
  535    HB3  ALA  72           HB3      ALA  72  -1.421   0.504  -4.149
  536    H    THR  73           HN       THR  73  -3.138   1.592  -5.923
  537    HA   THR  73           HA       THR  73  -5.148   2.543  -4.252
  538    HB   THR  73           HB       THR  73  -4.416   3.405  -7.067
  539    HG1  THR  73           HG1      THR  73  -2.747   3.689  -5.588
  540   HG21  THR  73          HG21      THR  73  -6.060   4.873  -4.992
  541   HG22  THR  73          HG22      THR  73  -6.677   4.193  -6.499
  542   HG23  THR  73          HG23      THR  73  -5.531   5.533  -6.540
  543    H    LYS  74           HN       LYS  74  -5.436   1.248  -7.548
  544    HA   LYS  74           HA       LYS  74  -8.276   1.548  -7.722
  545    HB2  LYS  74           HB2      LYS  74  -6.615  -0.422  -9.291
  546    HB3  LYS  74           HB1      LYS  74  -8.108   0.363  -9.779
  547    HG2  LYS  74           HG2      LYS  74  -5.397   1.647  -9.492
  548    HG3  LYS  74           HG1      LYS  74  -6.280   1.322 -10.975
  549    HD2  LYS  74           HD2      LYS  74  -7.984   2.924 -10.370
  550    HD3  LYS  74           HD1      LYS  74  -7.217   3.159  -8.792
  551    HE2  LYS  74           HE2      LYS  74  -6.686   4.975 -10.369
  552    HE3  LYS  74           HE1      LYS  74  -5.258   4.099  -9.829
  553    HZ1  LYS  74           HZ1      LYS  74  -5.168   2.945 -11.929
  554    HZ2  LYS  74           HZ2      LYS  74  -5.313   4.613 -12.231
  555    HZ3  LYS  74           HZ3      LYS  74  -6.655   3.606 -12.399
  556    H    TYR  75           HN       TYR  75  -6.142  -0.784  -6.532
  557    HA   TYR  75           HA       TYR  75  -7.801  -3.073  -6.420
  558    HB2  TYR  75           HB2      TYR  75  -5.258  -2.797  -6.344
  559    HB3  TYR  75           HB1      TYR  75  -5.491  -2.394  -4.658
  560    HD1  TYR  75           HD1      TYR  75  -5.936  -5.043  -7.173
  561    HD2  TYR  75           HD2      TYR  75  -5.794  -3.981  -3.076
  562    HE1  TYR  75           HE1      TYR  75  -5.979  -7.382  -6.602
  563    HE2  TYR  75           HE2      TYR  75  -5.845  -6.297  -2.432
  564    HH   TYR  75           HH       TYR  75  -5.537  -8.803  -4.800
  565    H    ILE  76           HN       ILE  76  -6.550  -0.791  -4.008
  566    HA   ILE  76           HA       ILE  76  -8.045  -1.647  -1.840
  567    HB   ILE  76           HB       ILE  76  -6.763   1.026  -2.446
  568   HG12  ILE  76          HG12      ILE  76  -5.961  -1.224  -0.584
  569   HG13  ILE  76          HG11      ILE  76  -5.280  -0.927  -2.172
  570   HG21  ILE  76          HG21      ILE  76  -8.601   1.413  -0.894
  571   HG22  ILE  76          HG22      ILE  76  -7.045   1.612  -0.085
  572   HG23  ILE  76          HG23      ILE  76  -7.990   0.145   0.169
  573   HD11  ILE  76          HD11      ILE  76  -5.096   0.924   0.189
  574   HD12  ILE  76          HD12      ILE  76  -4.406   1.213  -1.407
  575   HD13  ILE  76          HD13      ILE  76  -3.813  -0.121  -0.419
  576    H    LEU  77           HN       LEU  77  -8.742   0.836  -4.269
  577    HA   LEU  77           HA       LEU  77 -11.063   1.881  -3.250
  578    HB2  LEU  77           HB2      LEU  77 -10.361   1.295  -6.126
  579    HB3  LEU  77           HB1      LEU  77 -11.791   2.191  -5.664
  580    HG   LEU  77           HG       LEU  77  -8.965   3.057  -5.041
  581   HD11  LEU  77          HD11      LEU  77 -10.866   4.008  -7.185
  582   HD12  LEU  77          HD12      LEU  77  -9.382   3.091  -7.446
  583   HD13  LEU  77          HD13      LEU  77  -9.305   4.729  -6.796
  584   HD21  LEU  77          HD21      LEU  77 -11.604   4.494  -4.822
  585   HD22  LEU  77          HD22      LEU  77 -10.015   5.194  -4.509
  586   HD23  LEU  77          HD23      LEU  77 -10.630   3.903  -3.475
  587    H    ASP  78           HN       ASP  78 -10.662  -1.151  -4.988
  588    HA   ASP  78           HA       ASP  78 -13.515  -1.695  -4.892
  589    HB2  ASP  78           HB2      ASP  78 -12.271  -2.306  -6.918
  590    HB3  ASP  78           HB1      ASP  78 -11.264  -3.401  -5.976
  591    H    HIS  79           HN       HIS  79 -10.566  -2.849  -3.426
  592    HA   HIS  79           HA       HIS  79 -11.761  -5.106  -2.065
  593    HB2  HIS  79           HB2      HIS  79  -9.193  -4.396  -2.829
  594    HB3  HIS  79           HB1      HIS  79  -9.158  -4.301  -1.072
  595    HD1  HIS  79           HD1      HIS  79  -9.845  -6.597   0.218
  596    HD2  HIS  79           HD2      HIS  79  -9.097  -6.920  -3.857
  597    HE1  HIS  79           HE1      HIS  79  -9.574  -9.015  -0.225
  598    HE2  HIS  79           HE2      HIS  79  -8.592  -9.041  -2.490
  599    H    GLN  80           HN       GLN  80 -12.157  -1.986  -1.381
  600    HA   GLN  80           HA       GLN  80 -11.683  -2.183   1.506
  601    HB2  GLN  80           HB2      GLN  80 -12.064   0.209   1.598
  602    HB3  GLN  80           HB1      GLN  80 -10.872  -0.191   0.365
  603    HG2  GLN  80           HG2      GLN  80 -12.666   0.023  -1.356
  604    HG3  GLN  80           HG1      GLN  80 -13.763   0.563  -0.091
  605   HE21  GLN  80          HE21      GLN  80 -10.376   1.454  -0.328
  606   HE22  GLN  80          HE22      GLN  80 -10.672   3.118  -0.717
  607    H    ALA  81           HN       ALA  81 -13.399  -1.151   2.903
  608    HA   ALA  81           HA       ALA  81 -15.961  -2.250   2.215
  609    HB1  ALA  81           HB1      ALA  81 -15.005  -0.771   4.680
  610    HB2  ALA  81           HB2      ALA  81 -15.122  -2.522   4.509
  611    HB3  ALA  81           HB3      ALA  81 -16.583  -1.535   4.493
  612    H2   SOO 101           H2A      SOO 101   4.707  -4.502  -1.318
  613    H3   SOO 101           H3A      SOO 101   1.961  -5.592  -2.251
  614    H4   SOO 101           H4A      SOO 101   2.601  -3.745  -0.045
  615    H4A  SOO 101           H4B      SOO 101   2.675  -2.824  -1.546
  616    H5   SOO 101           H5A      SOO 101   0.304  -4.459  -0.692
  617    H5A  SOO 101           H5B      SOO 101   0.401  -3.336  -2.050
  618    H6   SOO 101           H6A      SOO 101   0.755  -1.480  -0.501
  619    H6A  SOO 101           H6B      SOO 101   0.674  -2.598   0.863
  620    H7   SOO 101           H7A      SOO 101  -1.637  -3.159   0.280
  621    H7A  SOO 101           H7B      SOO 101  -1.561  -2.029  -1.086
  622    H8   SOO 101           H8C      SOO 101  -1.196  -1.337   1.830
  623    H8A  SOO 101           H8A      SOO 101  -2.637  -1.016   0.865
  624    H8B  SOO 101           H8B      SOO 101  -1.120  -0.202   0.483
  625    H28  SOO 101          H28A      SOO 101  11.469 -11.295   1.894
  626   H28A  SOO 101          H28B      SOO 101   9.970 -10.373   1.908
  627    H30  SOO 101          H30A      SOO 101   9.423 -10.756  -1.099
  628   H30A  SOO 101          H30B      SOO 101   8.216 -10.856   0.182
  629   H30B  SOO 101          H30C      SOO 101   8.428 -12.203  -0.936
  630    H31  SOO 101          H31A      SOO 101  11.464 -12.164  -1.009
  631   H31A  SOO 101          H31B      SOO 101  10.485 -13.620  -0.813
  632   H31B  SOO 101          H31C      SOO 101  11.739 -13.235   0.366
  633    H32  SOO 101          H32A      SOO 101   8.789 -13.809   1.076
  634   HO33  SOO 101          H33A      SOO 101  10.087 -13.184   3.292
  635   HN36  SOO 101          H36A      SOO 101   6.936 -12.234   1.151
  636    H37  SOO 101          H37A      SOO 101   6.049 -11.694   3.826
  637   H37A  SOO 101          H37B      SOO 101   6.364 -10.230   2.917
  638    H38  SOO 101          H38A      SOO 101   4.408 -12.429   2.140
  639   H38A  SOO 101          H38B      SOO 101   4.046 -10.808   2.771
  640   HN41  SOO 101          H41A      SOO 101   5.822  -9.376   1.331
  641    H42  SOO 101          H42A      SOO 101   6.068  -9.608  -1.385
  642   H42A  SOO 101          H42B      SOO 101   4.455  -8.929  -1.142
  643    H43  SOO 101          H43A      SOO 101   7.033  -7.761  -0.094
  644   H43A  SOO 101          H43B      SOO 101   5.411  -7.097   0.129
  Start of MODEL   15
    1    H1   ALA   1           HT1      ALA   1 -14.888   4.914   4.177
    2    H2   ALA   1           HT2      ALA   1 -14.796   6.413   3.429
    3    H3   ALA   1           HT3      ALA   1 -13.492   5.865   4.348
    4    HA   ALA   1           HA       ALA   1 -13.150   4.056   2.801
    5    HB1  ALA   1           HB1      ALA   1 -15.274   5.461   1.178
    6    HB2  ALA   1           HB2      ALA   1 -15.456   3.900   1.977
    7    HB3  ALA   1           HB3      ALA   1 -14.308   4.085   0.648
    8    H    ALA   2           HN       ALA   2 -11.829   4.404   0.886
    9    HA   ALA   2           HA       ALA   2 -10.589   7.052   1.089
   10    HB1  ALA   2           HB1      ALA   2  -9.219   5.160   1.768
   11    HB2  ALA   2           HB2      ALA   2  -8.553   5.945   0.331
   12    HB3  ALA   2           HB3      ALA   2  -9.446   4.429   0.183
   13    H    THR   3           HN       THR   3  -9.235   7.536  -0.958
   14    HA   THR   3           HA       THR   3 -10.488   6.826  -3.483
   15    HB   THR   3           HB       THR   3 -10.145   9.237  -4.172
   16    HG1  THR   3           HG1      THR   3  -9.872  10.771  -2.514
   17   HG21  THR   3          HG21      THR   3 -12.412   8.484  -3.562
   18   HG22  THR   3          HG22      THR   3 -12.151  10.157  -3.061
   19   HG23  THR   3          HG23      THR   3 -12.078   8.859  -1.871
   20    H    GLN   4           HN       GLN   4  -8.726   8.080  -5.192
   21    HA   GLN   4           HA       GLN   4  -6.271   6.849  -4.784
   22    HB2  GLN   4           HB2      GLN   4  -6.943   7.384  -7.018
   23    HB3  GLN   4           HB1      GLN   4  -7.148   9.078  -6.626
   24    HG2  GLN   4           HG2      GLN   4  -4.425   7.862  -6.455
   25    HG3  GLN   4           HG1      GLN   4  -5.093   8.253  -8.042
   26   HE21  GLN   4          HE21      GLN   4  -2.780   9.437  -6.688
   27   HE22  GLN   4          HE22      GLN   4  -3.150  11.111  -6.497
   28    H    GLU   5           HN       GLU   5  -7.303  10.138  -4.143
   29    HA   GLU   5           HA       GLU   5  -4.820  11.223  -3.411
   30    HB2  GLU   5           HB2      GLU   5  -7.050  12.408  -3.838
   31    HB3  GLU   5           HB1      GLU   5  -7.450  12.001  -2.175
   32    HG2  GLU   5           HG2      GLU   5  -6.627  14.232  -2.242
   33    HG3  GLU   5           HG1      GLU   5  -5.417  13.217  -1.454
   34    H    GLU   6           HN       GLU   6  -7.283   9.530  -1.563
   35    HA   GLU   6           HA       GLU   6  -6.059   9.922   0.976
   36    HB2  GLU   6           HB2      GLU   6  -8.114   7.915   0.086
   37    HB3  GLU   6           HB1      GLU   6  -7.644   8.216   1.749
   38    HG2  GLU   6           HG2      GLU   6  -8.822  10.300  -0.064
   39    HG3  GLU   6           HG1      GLU   6  -9.761   9.315   1.054
   40    H    ILE   7           HN       ILE   7  -6.080   7.323  -1.398
   41    HA   ILE   7           HA       ILE   7  -4.713   5.474   0.203
   42    HB   ILE   7           HB       ILE   7  -5.169   5.596  -2.788
   43   HG12  ILE   7          HG12      ILE   7  -6.259   3.799  -0.607
   44   HG13  ILE   7          HG11      ILE   7  -7.084   5.205  -1.260
   45   HG21  ILE   7          HG21      ILE   7  -3.857   3.353  -1.223
   46   HG22  ILE   7          HG22      ILE   7  -3.049   4.384  -2.404
   47   HG23  ILE   7          HG23      ILE   7  -4.328   3.284  -2.922
   48   HD11  ILE   7          HD11      ILE   7  -6.340   2.736  -2.802
   49   HD12  ILE   7          HD12      ILE   7  -7.245   4.125  -3.419
   50   HD13  ILE   7          HD13      ILE   7  -7.934   3.110  -2.156
   51    H    VAL   8           HN       VAL   8  -3.484   7.387  -2.523
   52    HA   VAL   8           HA       VAL   8  -0.809   6.653  -2.328
   53    HB   VAL   8           HB       VAL   8  -2.021   9.291  -3.222
   54   HG11  VAL   8          HG11      VAL   8   0.361   9.588  -2.731
   55   HG12  VAL   8          HG12      VAL   8   0.052   9.654  -4.468
   56   HG13  VAL   8          HG13      VAL   8   0.745   8.199  -3.750
   57   HG21  VAL   8          HG21      VAL   8  -1.176   6.819  -4.705
   58   HG22  VAL   8          HG22      VAL   8  -1.655   8.325  -5.463
   59   HG23  VAL   8          HG23      VAL   8  -2.823   7.418  -4.489
   60    H    ALA   9           HN       ALA   9  -2.187   9.678  -1.042
   61    HA   ALA   9           HA       ALA   9   0.088  10.462   0.382
   62    HB1  ALA   9           HB1      ALA   9  -1.356  12.084   1.478
   63    HB2  ALA   9           HB2      ALA   9  -2.779  11.209   0.904
   64    HB3  ALA   9           HB3      ALA   9  -1.700  11.991  -0.251
   65    H    GLY  10           HN       GLY  10  -2.691   8.528   1.403
   66    HA2  GLY  10           HA2      GLY  10  -2.074   8.591   4.179
   67    HA3  GLY  10           HA1      GLY  10  -3.201   7.505   3.384
   68    H    LEU  11           HN       LEU  11  -1.394   6.314   1.581
   69    HA   LEU  11           HA       LEU  11  -0.344   4.237   3.144
   70    HB2  LEU  11           HB2      LEU  11  -0.665   4.864   0.413
   71    HB3  LEU  11           HB1      LEU  11   1.030   4.478   0.636
   72    HG   LEU  11           HG       LEU  11  -1.287   2.691   1.398
   73   HD11  LEU  11          HD11      LEU  11  -1.107   2.942  -1.005
   74   HD12  LEU  11          HD12      LEU  11  -0.587   1.330  -0.510
   75   HD13  LEU  11          HD13      LEU  11   0.610   2.557  -0.930
   76   HD21  LEU  11          HD21      LEU  11   0.679   2.320   2.796
   77   HD22  LEU  11          HD22      LEU  11   1.688   2.171   1.358
   78   HD23  LEU  11          HD23      LEU  11   0.439   0.970   1.686
   79    H    ALA  12           HN       ALA  12   1.140   7.039   1.632
   80    HA   ALA  12           HA       ALA  12   3.803   6.458   2.173
   81    HB1  ALA  12           HB1      ALA  12   2.528   9.164   2.010
   82    HB2  ALA  12           HB2      ALA  12   3.081   8.180   0.641
   83    HB3  ALA  12           HB3      ALA  12   4.244   8.782   1.830
   84    H    GLU  13           HN       GLU  13   1.354   7.833   4.238
   85    HA   GLU  13           HA       GLU  13   3.026   8.817   6.280
   86    HB2  GLU  13           HB2      GLU  13   0.249   7.650   6.499
   87    HB3  GLU  13           HB1      GLU  13   1.058   8.582   7.746
   88    HG2  GLU  13           HG2      GLU  13   1.061  10.530   6.323
   89    HG3  GLU  13           HG1      GLU  13   0.331   9.597   5.015
   90    H    ILE  14           HN       ILE  14   1.287   5.746   6.009
   91    HA   ILE  14           HA       ILE  14   2.565   4.668   8.301
   92    HB   ILE  14           HB       ILE  14   0.924   3.225   6.166
   93   HG12  ILE  14          HG12      ILE  14  -0.750   3.003   8.076
   94   HG13  ILE  14          HG11      ILE  14   0.234   4.144   8.971
   95   HG21  ILE  14          HG21      ILE  14   2.492   1.671   7.241
   96   HG22  ILE  14          HG22      ILE  14   0.821   1.318   7.679
   97   HG23  ILE  14          HG23      ILE  14   1.875   2.150   8.823
   98   HD11  ILE  14          HD11      ILE  14  -0.228   5.843   7.267
   99   HD12  ILE  14          HD12      ILE  14  -1.704   5.209   7.991
  100   HD13  ILE  14          HD13      ILE  14  -1.210   4.674   6.384
  101    H    VAL  15           HN       VAL  15   3.287   4.583   4.890
  102    HA   VAL  15           HA       VAL  15   5.303   2.651   4.962
  103    HB   VAL  15           HB       VAL  15   4.965   5.045   3.113
  104   HG11  VAL  15          HG11      VAL  15   6.675   4.031   1.667
  105   HG12  VAL  15          HG12      VAL  15   6.983   2.797   2.895
  106   HG13  VAL  15          HG13      VAL  15   7.346   4.491   3.230
  107   HG21  VAL  15          HG21      VAL  15   4.574   2.077   2.699
  108   HG22  VAL  15          HG22      VAL  15   4.345   3.322   1.474
  109   HG23  VAL  15          HG23      VAL  15   3.297   3.276   2.890
  110    H    ASN  16           HN       ASN  16   5.413   6.118   5.610
  111    HA   ASN  16           HA       ASN  16   8.210   6.245   5.998
  112    HB2  ASN  16           HB2      ASN  16   6.703   8.192   5.539
  113    HB3  ASN  16           HB1      ASN  16   6.119   8.061   7.190
  114   HD21  ASN  16          HD21      ASN  16   8.805   8.810   5.173
  115   HD22  ASN  16          HD22      ASN  16   9.727   9.699   6.325
  116    H    GLU  17           HN       GLU  17   5.607   5.264   8.041
  117    HA   GLU  17           HA       GLU  17   6.974   5.518  10.535
  118    HB2  GLU  17           HB2      GLU  17   4.658   3.730   9.797
  119    HB3  GLU  17           HB1      GLU  17   5.190   4.110  11.428
  120    HG2  GLU  17           HG2      GLU  17   4.136   6.030   9.412
  121    HG3  GLU  17           HG1      GLU  17   3.219   5.382  10.776
  122    H    ILE  18           HN       ILE  18   6.151   2.759   8.526
  123    HA   ILE  18           HA       ILE  18   7.745   0.968  10.114
  124    HB   ILE  18           HB       ILE  18   6.164   0.496   7.579
  125   HG12  ILE  18          HG12      ILE  18   5.533   0.026  10.503
  126   HG13  ILE  18          HG11      ILE  18   4.855   1.292   9.493
  127   HG21  ILE  18          HG21      ILE  18   7.354  -1.480   9.551
  128   HG22  ILE  18          HG22      ILE  18   7.921  -1.213   7.903
  129   HG23  ILE  18          HG23      ILE  18   6.314  -1.887   8.184
  130   HD11  ILE  18          HD11      ILE  18   3.300  -0.520   9.818
  131   HD12  ILE  18          HD12      ILE  18   4.462  -1.660   9.144
  132   HD13  ILE  18          HD13      ILE  18   3.770  -0.400   8.123
  133    H    ALA  19           HN       ALA  19   7.899   2.122   6.745
  134    HA   ALA  19           HA       ALA  19  10.444   0.724   6.404
  135    HB1  ALA  19           HB1      ALA  19  10.253   1.272   4.050
  136    HB2  ALA  19           HB2      ALA  19   8.864   2.308   4.387
  137    HB3  ALA  19           HB3      ALA  19   8.743   0.568   4.635
  138    H    GLY  20           HN       GLY  20   9.183   3.960   6.664
  139    HA2  GLY  20           HA2      GLY  20  10.408   5.832   7.403
  140    HA3  GLY  20           HA1      GLY  20  11.899   4.960   7.068
  141    H    ILE  21           HN       ILE  21   9.670   4.796   4.585
  142    HA   ILE  21           HA       ILE  21  11.385   6.288   2.824
  143    HB   ILE  21           HB       ILE  21   8.780   4.805   2.348
  144   HG12  ILE  21          HG12      ILE  21  10.577   3.327   2.957
  145   HG13  ILE  21          HG11      ILE  21  10.231   3.130   1.244
  146   HG21  ILE  21          HG21      ILE  21  10.586   5.983   0.246
  147   HG22  ILE  21          HG22      ILE  21   8.951   6.515   0.638
  148   HG23  ILE  21          HG23      ILE  21   9.217   4.913  -0.055
  149   HD11  ILE  21          HD11      ILE  21  12.624   3.104   1.675
  150   HD12  ILE  21          HD12      ILE  21  12.521   4.703   2.413
  151   HD13  ILE  21          HD13      ILE  21  12.179   4.502   0.695
  152    HA   PRO  22           HA       PRO  22   9.831  10.458   2.901
  153    HB2  PRO  22           HB2      PRO  22   9.561   9.898  -0.023
  154    HB3  PRO  22           HB1      PRO  22  10.177  11.344   0.789
  155    HG2  PRO  22           HG2      PRO  22  11.832   9.500  -0.204
  156    HG3  PRO  22           HG1      PRO  22  12.198  10.367   1.296
  157    HD2  PRO  22           HD2      PRO  22  11.462   7.546   0.900
  158    HD3  PRO  22           HD1      PRO  22  12.252   8.320   2.287
  159    H    VAL  23           HN       VAL  23   7.965  11.433   3.108
  160    HA   VAL  23           HA       VAL  23   5.580   9.842   3.096
  161    HB   VAL  23           HB       VAL  23   4.494  11.781   4.159
  162   HG11  VAL  23          HG11      VAL  23   5.700  10.187   5.533
  163   HG12  VAL  23          HG12      VAL  23   5.845  11.819   6.184
  164   HG13  VAL  23          HG13      VAL  23   7.188  11.098   5.298
  165   HG21  VAL  23          HG21      VAL  23   7.159  13.078   3.713
  166   HG22  VAL  23          HG22      VAL  23   5.846  13.769   4.683
  167   HG23  VAL  23          HG23      VAL  23   5.646  13.525   2.937
  168    H    GLU  24           HN       GLU  24   6.736  11.026   0.495
  169    HA   GLU  24           HA       GLU  24   4.107  11.396  -0.660
  170    HB2  GLU  24           HB2      GLU  24   4.671  13.449  -1.861
  171    HB3  GLU  24           HB1      GLU  24   4.764  13.708  -0.129
  172    HG2  GLU  24           HG2      GLU  24   7.182  13.599  -0.217
  173    HG3  GLU  24           HG1      GLU  24   7.117  13.228  -1.941
  174    H    ASP  25           HN       ASP  25   6.590   9.625  -0.621
  175    HA   ASP  25           HA       ASP  25   7.295   9.794  -3.459
  176    HB2  ASP  25           HB2      ASP  25   9.135  10.008  -1.900
  177    HB3  ASP  25           HB1      ASP  25   8.744   8.479  -1.147
  178    H    VAL  26           HN       VAL  26   5.175   8.297  -1.555
  179    HA   VAL  26           HA       VAL  26   5.325   5.701  -2.851
  180    HB   VAL  26           HB       VAL  26   3.394   6.775  -0.739
  181   HG11  VAL  26          HG11      VAL  26   3.831   3.938  -1.675
  182   HG12  VAL  26          HG12      VAL  26   2.416   4.935  -2.014
  183   HG13  VAL  26          HG13      VAL  26   2.771   4.440  -0.360
  184   HG21  VAL  26          HG21      VAL  26   5.795   4.988  -0.418
  185   HG22  VAL  26          HG22      VAL  26   4.655   5.413   0.858
  186   HG23  VAL  26          HG23      VAL  26   5.656   6.662   0.117
  187    H    LYS  27           HN       LYS  27   5.101   6.923  -4.777
  188    HA   LYS  27           HA       LYS  27   2.621   8.329  -5.355
  189    HB2  LYS  27           HB2      LYS  27   5.037   7.851  -7.090
  190    HB3  LYS  27           HB1      LYS  27   3.747   9.014  -7.362
  191    HG2  LYS  27           HG2      LYS  27   4.417  10.324  -5.513
  192    HG3  LYS  27           HG1      LYS  27   5.540   9.079  -4.963
  193    HD2  LYS  27           HD2      LYS  27   6.837   9.399  -7.041
  194    HD3  LYS  27           HD1      LYS  27   5.748  10.717  -7.485
  195    HE2  LYS  27           HE2      LYS  27   6.382  11.954  -5.514
  196    HE3  LYS  27           HE1      LYS  27   7.382  10.614  -4.956
  197    HZ1  LYS  27           HZ1      LYS  27   8.711  12.309  -5.953
  198    HZ2  LYS  27           HZ2      LYS  27   7.818  12.241  -7.394
  199    HZ3  LYS  27           HZ3      LYS  27   8.770  10.916  -6.913
  200    H    LEU  28           HN       LEU  28   1.468   7.868  -7.327
  201    HA   LEU  28           HA       LEU  28   0.450   5.342  -7.578
  202    HB2  LEU  28           HB2      LEU  28   0.537   7.555  -9.604
  203    HB3  LEU  28           HB1      LEU  28  -0.336   6.062  -9.879
  204    HG   LEU  28           HG       LEU  28  -0.901   7.968  -7.595
  205   HD11  LEU  28          HD11      LEU  28  -1.467   8.973  -9.751
  206   HD12  LEU  28          HD12      LEU  28  -2.922   8.522  -8.849
  207   HD13  LEU  28          HD13      LEU  28  -2.368   7.518 -10.188
  208   HD21  LEU  28          HD21      LEU  28  -1.486   5.638  -7.141
  209   HD22  LEU  28          HD22      LEU  28  -2.420   5.584  -8.633
  210   HD23  LEU  28          HD23      LEU  28  -2.916   6.650  -7.318
  211    H    ASP  29           HN       ASP  29   3.210   6.617  -9.309
  212    HA   ASP  29           HA       ASP  29   3.333   4.181 -10.934
  213    HB2  ASP  29           HB2      ASP  29   5.009   6.694 -11.118
  214    HB3  ASP  29           HB1      ASP  29   5.071   5.336 -12.230
  215    H    LYS  30           HN       LYS  30   4.128   4.417  -7.948
  216    HA   LYS  30           HA       LYS  30   6.911   3.551  -8.256
  217    HB2  LYS  30           HB2      LYS  30   5.490   4.641  -5.805
  218    HB3  LYS  30           HB1      LYS  30   7.166   4.110  -5.856
  219    HG2  LYS  30           HG2      LYS  30   6.080   6.367  -7.536
  220    HG3  LYS  30           HG1      LYS  30   6.823   6.592  -5.956
  221    HD2  LYS  30           HD2      LYS  30   8.224   5.207  -8.234
  222    HD3  LYS  30           HD1      LYS  30   8.312   6.953  -7.984
  223    HE2  LYS  30           HE2      LYS  30   9.279   6.623  -5.790
  224    HE3  LYS  30           HE1      LYS  30   9.087   4.878  -5.936
  225    HZ1  LYS  30           HZ1      LYS  30  11.351   5.603  -6.361
  226    HZ2  LYS  30           HZ2      LYS  30  10.867   6.551  -7.665
  227    HZ3  LYS  30           HZ3      LYS  30  10.696   4.854  -7.717
  228    H    SER  31           HN       SER  31   7.370   1.509  -7.789
  229    HA   SER  31           HA       SER  31   5.183  -0.264  -7.129
  230    HB2  SER  31           HB2      SER  31   6.709  -0.741  -9.042
  231    HB3  SER  31           HB1      SER  31   8.060  -0.828  -7.919
  232    HG   SER  31           HG       SER  31   7.170  -2.863  -8.532
  233    H    PHE  32           HN       PHE  32   5.015  -1.317  -5.267
  234    HA   PHE  32           HA       PHE  32   6.227  -0.389  -2.926
  235    HB2  PHE  32           HB2      PHE  32   4.905  -3.061  -3.376
  236    HB3  PHE  32           HB1      PHE  32   5.360  -2.426  -1.803
  237    HD1  PHE  32           HD1      PHE  32   4.296  -0.247  -1.072
  238    HD2  PHE  32           HD2      PHE  32   2.861  -2.597  -4.304
  239    HE1  PHE  32           HE1      PHE  32   2.103   0.811  -0.853
  240    HE2  PHE  32           HE2      PHE  32   0.661  -1.546  -4.104
  241    HZ   PHE  32           HZ       PHE  32   0.270   0.163  -2.372
  242    H    THR  33           HN       THR  33   6.755  -3.605  -4.351
  243    HA   THR  33           HA       THR  33   9.121  -3.826  -2.733
  244    HB   THR  33           HB       THR  33   9.243  -6.180  -3.750
  245    HG1  THR  33           HG1      THR  33   6.610  -5.446  -4.652
  246   HG21  THR  33          HG21      THR  33   6.807  -5.367  -2.160
  247   HG22  THR  33          HG22      THR  33   8.403  -5.732  -1.502
  248   HG23  THR  33          HG23      THR  33   7.453  -7.003  -2.276
  249    H    ASP  34           HN       ASP  34   9.539  -1.883  -4.558
  250    HA   ASP  34           HA       ASP  34  11.843  -2.893  -5.963
  251    HB2  ASP  34           HB2      ASP  34  10.111  -3.327  -7.666
  252    HB3  ASP  34           HB1      ASP  34   9.635  -1.632  -7.602
  253    H    ASP  35           HN       ASP  35   9.628  -0.153  -5.726
  254    HA   ASP  35           HA       ASP  35  11.870   1.695  -5.891
  255    HB2  ASP  35           HB2      ASP  35   8.884   2.113  -5.743
  256    HB3  ASP  35           HB1      ASP  35  10.054   3.420  -5.736
  257    H    LEU  36           HN       LEU  36   9.115   0.986  -3.851
  258    HA   LEU  36           HA       LEU  36   9.874   2.853  -1.861
  259    HB2  LEU  36           HB2      LEU  36   7.827   0.660  -1.702
  260    HB3  LEU  36           HB1      LEU  36   7.937   2.065  -0.661
  261    HG   LEU  36           HG       LEU  36   7.264   2.080  -3.603
  262   HD11  LEU  36          HD11      LEU  36   5.568   2.625  -1.187
  263   HD12  LEU  36          HD12      LEU  36   5.474   1.216  -2.241
  264   HD13  LEU  36          HD13      LEU  36   5.062   2.811  -2.865
  265   HD21  LEU  36          HD21      LEU  36   6.815   4.482  -3.294
  266   HD22  LEU  36          HD22      LEU  36   8.503   4.076  -3.004
  267   HD23  LEU  36          HD23      LEU  36   7.427   4.373  -1.640
  268    H    ASP  37           HN       ASP  37   9.554  -0.675  -1.761
  269    HA   ASP  37           HA       ASP  37  10.388  -2.260  -0.488
  270    HB2  ASP  37           HB2      ASP  37  12.752  -0.405  -0.330
  271    HB3  ASP  37           HB1      ASP  37  12.726  -1.913   0.576
  272    H    VAL  38           HN       VAL  38   9.037  -2.562   1.001
  273    HA   VAL  38           HA       VAL  38   9.216  -0.923   3.432
  274    HB   VAL  38           HB       VAL  38   6.946  -2.742   2.596
  275   HG11  VAL  38          HG11      VAL  38   7.028  -2.218   5.001
  276   HG12  VAL  38          HG12      VAL  38   5.644  -1.413   4.263
  277   HG13  VAL  38          HG13      VAL  38   7.104  -0.494   4.640
  278   HG21  VAL  38          HG21      VAL  38   7.156  -0.986   0.927
  279   HG22  VAL  38          HG22      VAL  38   7.168   0.246   2.188
  280   HG23  VAL  38          HG23      VAL  38   5.714  -0.711   1.907
  281    H    ASP  39           HN       ASP  39  11.155  -2.644   3.015
  282    HA   ASP  39           HA       ASP  39  12.476  -4.150   4.085
  283    HB2  ASP  39           HB2      ASP  39  11.290  -3.038   6.084
  284    HB3  ASP  39           HB1      ASP  39  10.309  -4.496   6.147
  285    H    SER  40           HN       SER  40   9.833  -4.896   2.591
  286    HA   SER  40           HA       SER  40   8.781  -6.541   1.622
  287    HB2  SER  40           HB2      SER  40   9.961  -8.499   0.881
  288    HB3  SER  40           HB1      SER  40  11.012  -7.088   0.772
  289    H    LEU  41           HN       LEU  41  10.085  -7.785   4.618
  290    HA   LEU  41           HA       LEU  41   7.764  -9.515   4.769
  291    HB2  LEU  41           HB2      LEU  41   8.644 -10.262   6.984
  292    HB3  LEU  41           HB1      LEU  41   9.752 -10.505   5.659
  293    HG   LEU  41           HG       LEU  41  10.956  -8.396   6.476
  294   HD11  LEU  41          HD11      LEU  41   9.206  -7.511   7.895
  295   HD12  LEU  41          HD12      LEU  41  10.679  -7.809   8.818
  296   HD13  LEU  41          HD13      LEU  41   9.311  -8.925   8.944
  297   HD21  LEU  41          HD21      LEU  41  12.159  -9.625   8.191
  298   HD22  LEU  41          HD22      LEU  41  11.827 -10.625   6.775
  299   HD23  LEU  41          HD23      LEU  41  10.863 -10.820   8.241
  300    H    SER  42           HN       SER  42   8.848  -6.523   6.037
  301    HA   SER  42           HA       SER  42   6.694  -6.246   7.839
  302    HB2  SER  42           HB2      SER  42   8.890  -4.369   7.015
  303    HB3  SER  42           HB1      SER  42   7.563  -3.844   8.054
  304    HG   SER  42           HG       SER  42   8.054  -5.490   9.448
  305    H    MET  43           HN       MET  43   6.857  -5.897   4.547
  306    HA   MET  43           HA       MET  43   5.154  -3.747   4.381
  307    HB2  MET  43           HB2      MET  43   4.418  -4.574   2.067
  308    HB3  MET  43           HB1      MET  43   6.102  -4.184   2.293
  309    HG2  MET  43           HG2      MET  43   5.663  -6.179   0.908
  310    HG3  MET  43           HG1      MET  43   6.717  -6.462   2.281
  311    HE1  MET  43           HE1      MET  43   2.714  -6.248   2.251
  312    HE2  MET  43           HE2      MET  43   2.369  -7.986   2.107
  313    HE3  MET  43           HE3      MET  43   3.108  -7.145   0.763
  314    H    VAL  44           HN       VAL  44   4.445  -6.975   5.231
  315    HA   VAL  44           HA       VAL  44   1.697  -6.901   4.752
  316    HB   VAL  44           HB       VAL  44   3.173  -8.382   6.968
  317   HG11  VAL  44          HG11      VAL  44   1.206  -9.842   7.099
  318   HG12  VAL  44          HG12      VAL  44   0.368  -8.817   5.932
  319   HG13  VAL  44          HG13      VAL  44   0.797  -8.180   7.519
  320   HG21  VAL  44          HG21      VAL  44   2.209  -9.289   4.263
  321   HG22  VAL  44          HG22      VAL  44   2.986 -10.307   5.483
  322   HG23  VAL  44          HG23      VAL  44   3.882  -8.981   4.737
  323    H    GLU  45           HN       GLU  45   3.713  -5.666   7.284
  324    HA   GLU  45           HA       GLU  45   1.682  -4.987   9.125
  325    HB2  GLU  45           HB2      GLU  45   4.481  -3.856   8.883
  326    HB3  GLU  45           HB1      GLU  45   3.441  -3.780  10.302
  327    HG2  GLU  45           HG2      GLU  45   3.489  -6.237  10.445
  328    HG3  GLU  45           HG1      GLU  45   4.577  -6.278   9.064
  329    H    VAL  46           HN       VAL  46   3.491  -3.099   6.609
  330    HA   VAL  46           HA       VAL  46   2.030  -0.756   7.086
  331    HB   VAL  46           HB       VAL  46   4.122  -0.766   5.678
  332   HG11  VAL  46          HG11      VAL  46   2.244  -1.722   3.627
  333   HG12  VAL  46          HG12      VAL  46   3.566  -2.632   4.365
  334   HG13  VAL  46          HG13      VAL  46   3.925  -1.225   3.317
  335   HG21  VAL  46          HG21      VAL  46   2.748   1.229   5.706
  336   HG22  VAL  46          HG22      VAL  46   1.729   0.570   4.428
  337   HG23  VAL  46          HG23      VAL  46   3.407   0.970   4.092
  338    H    VAL  47           HN       VAL  47   1.151  -3.590   5.278
  339    HA   VAL  47           HA       VAL  47  -1.097  -2.558   3.924
  340    HB   VAL  47           HB       VAL  47  -0.810  -5.362   5.069
  341   HG11  VAL  47          HG11      VAL  47  -2.535  -4.302   2.835
  342   HG12  VAL  47          HG12      VAL  47  -3.091  -4.810   4.430
  343   HG13  VAL  47          HG13      VAL  47  -2.401  -5.992   3.317
  344   HG21  VAL  47          HG21      VAL  47  -0.033  -6.013   2.854
  345   HG22  VAL  47          HG22      VAL  47   1.048  -4.834   3.597
  346   HG23  VAL  47          HG23      VAL  47  -0.082  -4.328   2.340
  347    H    VAL  48           HN       VAL  48  -0.923  -4.342   6.985
  348    HA   VAL  48           HA       VAL  48  -3.558  -4.228   7.766
  349    HB   VAL  48           HB       VAL  48  -1.120  -4.153   9.576
  350   HG11  VAL  48          HG11      VAL  48  -3.148  -3.563  10.810
  351   HG12  VAL  48          HG12      VAL  48  -2.561  -5.159  11.278
  352   HG13  VAL  48          HG13      VAL  48  -3.949  -5.010  10.199
  353   HG21  VAL  48          HG21      VAL  48  -1.098  -6.014   8.025
  354   HG22  VAL  48          HG22      VAL  48  -2.743  -6.444   8.501
  355   HG23  VAL  48          HG23      VAL  48  -1.423  -6.586   9.666
  356    H    ALA  49           HN       ALA  49  -1.141  -1.748   8.253
  357    HA   ALA  49           HA       ALA  49  -2.979  -0.139   9.799
  358    HB1  ALA  49           HB1      ALA  49  -0.245   0.590   8.782
  359    HB2  ALA  49           HB2      ALA  49  -0.620  -0.109  10.367
  360    HB3  ALA  49           HB3      ALA  49  -1.224   1.494   9.939
  361    H    ALA  50           HN       ALA  50  -1.869  -0.362   6.508
  362    HA   ALA  50           HA       ALA  50  -2.966   2.097   5.648
  363    HB1  ALA  50           HB1      ALA  50  -1.306   0.877   4.304
  364    HB2  ALA  50           HB2      ALA  50  -2.784   1.157   3.384
  365    HB3  ALA  50           HB3      ALA  50  -2.460  -0.437   4.071
  366    H    GLU  51           HN       GLU  51  -4.166  -1.198   5.973
  367    HA   GLU  51           HA       GLU  51  -6.674  -1.006   4.844
  368    HB2  GLU  51           HB2      GLU  51  -5.973  -2.398   7.435
  369    HB3  GLU  51           HB1      GLU  51  -7.419  -2.680   6.487
  370    HG2  GLU  51           HG2      GLU  51  -6.043  -3.537   4.667
  371    HG3  GLU  51           HG1      GLU  51  -4.598  -3.263   5.646
  372    H    GLU  52           HN       GLU  52  -5.558  -0.214   8.021
  373    HA   GLU  52           HA       GLU  52  -7.972   0.589   9.174
  374    HB2  GLU  52           HB2      GLU  52  -5.654  -0.002  10.203
  375    HB3  GLU  52           HB1      GLU  52  -5.346   1.721  10.044
  376    HG2  GLU  52           HG2      GLU  52  -6.143   1.224  12.253
  377    HG3  GLU  52           HG1      GLU  52  -7.354   2.176  11.382
  378    H    ARG  53           HN       ARG  53  -5.742   2.184   7.130
  379    HA   ARG  53           HA       ARG  53  -6.570   4.887   7.779
  380    HB2  ARG  53           HB2      ARG  53  -4.196   4.271   7.343
  381    HB3  ARG  53           HB1      ARG  53  -4.630   3.876   5.694
  382    HG2  ARG  53           HG2      ARG  53  -3.542   6.038   5.815
  383    HG3  ARG  53           HG1      ARG  53  -5.217   6.220   5.295
  384    HD2  ARG  53           HD2      ARG  53  -5.887   6.996   7.439
  385    HD3  ARG  53           HD1      ARG  53  -4.344   6.541   8.158
  386    HE   ARG  53           HE       ARG  53  -3.414   8.307   6.546
  387   HH11  ARG  53          HH11      ARG  53  -6.681   8.643   7.928
  388   HH12  ARG  53          HH12      ARG  53  -6.502  10.317   8.141
  389   HH21  ARG  53          HH21      ARG  53  -3.251  10.481   6.838
  390   HH22  ARG  53          HH22      ARG  53  -4.527  11.450   7.480
  391    H    PHE  54           HN       PHE  54  -7.140   2.456   5.318
  392    HA   PHE  54           HA       PHE  54  -8.520   4.431   3.601
  393    HB2  PHE  54           HB2      PHE  54  -7.842   1.566   2.936
  394    HB3  PHE  54           HB1      PHE  54  -8.416   2.806   1.830
  395    HD1  PHE  54           HD1      PHE  54  -6.748   5.064   2.674
  396    HD2  PHE  54           HD2      PHE  54  -5.787   0.979   2.050
  397    HE1  PHE  54           HE1      PHE  54  -4.418   5.694   2.101
  398    HE2  PHE  54           HE2      PHE  54  -3.483   1.575   1.499
  399    HZ   PHE  54           HZ       PHE  54  -2.743   3.899   1.670
  400    H    ASP  55           HN       ASP  55  -9.195   2.288   5.980
  401    HA   ASP  55           HA       ASP  55 -10.997   1.264   6.820
  402    HB2  ASP  55           HB2      ASP  55 -12.232   3.368   6.242
  403    HB3  ASP  55           HB1      ASP  55 -12.575   2.714   4.647
  404    H    VAL  56           HN       VAL  56  -9.375   0.220   4.623
  405    HA   VAL  56           HA       VAL  56 -11.290  -1.558   3.304
  406    HB   VAL  56           HB       VAL  56  -9.580  -0.197   1.920
  407   HG11  VAL  56          HG11      VAL  56  -7.378  -1.170   1.530
  408   HG12  VAL  56          HG12      VAL  56  -7.649  -2.288   2.842
  409   HG13  VAL  56          HG13      VAL  56  -7.562  -0.550   3.179
  410   HG21  VAL  56          HG21      VAL  56  -9.750  -3.172   1.445
  411   HG22  VAL  56          HG22      VAL  56  -9.230  -1.984   0.250
  412   HG23  VAL  56          HG23      VAL  56 -10.881  -1.944   0.873
  413    H    LYS  57           HN       LYS  57  -9.826  -3.685   2.753
  414    HA   LYS  57           HA       LYS  57  -8.415  -4.728   5.020
  415    HB2  LYS  57           HB2      LYS  57 -11.059  -5.897   4.124
  416    HB3  LYS  57           HB1      LYS  57  -9.855  -6.846   4.979
  417    HG2  LYS  57           HG2      LYS  57 -11.346  -4.441   6.013
  418    HG3  LYS  57           HG1      LYS  57 -11.539  -6.122   6.523
  419    HD2  LYS  57           HD2      LYS  57  -9.151  -6.093   7.263
  420    HD3  LYS  57           HD1      LYS  57  -9.115  -4.369   6.886
  421    HE2  LYS  57           HE2      LYS  57 -10.986  -4.042   8.469
  422    HE3  LYS  57           HE1      LYS  57 -10.861  -5.744   8.910
  423    HZ1  LYS  57           HZ1      LYS  57  -8.443  -5.186   9.472
  424    HZ2  LYS  57           HZ2      LYS  57  -9.657  -4.668  10.495
  425    HZ3  LYS  57           HZ3      LYS  57  -8.952  -3.559   9.425
  426    H    ILE  58           HN       ILE  58  -6.797  -5.742   4.203
  427    HA   ILE  58           HA       ILE  58  -7.085  -7.257   1.725
  428    HB   ILE  58           HB       ILE  58  -4.651  -5.456   1.984
  429   HG12  ILE  58          HG12      ILE  58  -7.145  -4.715   0.437
  430   HG13  ILE  58          HG11      ILE  58  -6.699  -3.971   1.973
  431   HG21  ILE  58          HG21      ILE  58  -4.683  -7.359   0.372
  432   HG22  ILE  58          HG22      ILE  58  -4.591  -5.788  -0.448
  433   HG23  ILE  58          HG23      ILE  58  -6.126  -6.639  -0.359
  434   HD11  ILE  58          HD11      ILE  58  -5.125  -3.874  -0.590
  435   HD12  ILE  58          HD12      ILE  58  -4.642  -3.137   0.939
  436   HD13  ILE  58          HD13      ILE  58  -6.086  -2.565   0.099
  437    HA   PRO  59           HA       PRO  59  -4.710  -9.641   4.863
  438    HB2  PRO  59           HB2      PRO  59  -5.468 -11.833   3.008
  439    HB3  PRO  59           HB1      PRO  59  -5.704 -11.712   4.753
  440    HG2  PRO  59           HG2      PRO  59  -7.761 -11.487   3.074
  441    HG3  PRO  59           HG1      PRO  59  -7.661 -10.495   4.542
  442    HD2  PRO  59           HD2      PRO  59  -7.054  -9.748   1.707
  443    HD3  PRO  59           HD1      PRO  59  -7.908  -8.818   2.958
  444    H    ASP  60           HN       ASP  60  -2.742 -11.061   4.581
  445    HA   ASP  60           HA       ASP  60  -1.029 -10.023   2.597
  446    HB2  ASP  60           HB2      ASP  60   0.679 -11.626   3.253
  447    HB3  ASP  60           HB1      ASP  60  -0.052 -10.891   4.673
  448    H    ASP  61           HN       ASP  61  -3.006 -12.838   2.614
  449    HA   ASP  61           HA       ASP  61  -2.016 -14.110   0.272
  450    HB2  ASP  61           HB2      ASP  61  -3.509 -15.256   1.835
  451    HB3  ASP  61           HB1      ASP  61  -4.777 -14.082   1.518
  452    H    ASP  62           HN       ASP  62  -4.069 -11.389   0.790
  453    HA   ASP  62           HA       ASP  62  -5.020 -11.369  -1.955
  454    HB2  ASP  62           HB2      ASP  62  -6.425 -10.723   0.115
  455    HB3  ASP  62           HB1      ASP  62  -5.442  -9.262   0.138
  456    H    VAL  63           HN       VAL  63  -2.907  -9.486   0.185
  457    HA   VAL  63           HA       VAL  63  -2.438  -7.322  -1.508
  458    HB   VAL  63           HB       VAL  63  -1.976  -7.362   0.948
  459   HG11  VAL  63          HG11      VAL  63   0.586  -8.725   0.184
  460   HG12  VAL  63          HG12      VAL  63  -0.770  -9.471   1.007
  461   HG13  VAL  63          HG13      VAL  63   0.129  -8.163   1.798
  462   HG21  VAL  63          HG21      VAL  63  -1.195  -5.517  -0.399
  463   HG22  VAL  63          HG22      VAL  63   0.278  -6.401  -0.790
  464   HG23  VAL  63          HG23      VAL  63  -0.026  -5.886   0.868
  465    H    LYS  64           HN       LYS  64  -1.104 -10.458  -1.691
  466    HA   LYS  64           HA       LYS  64   1.391  -9.906  -2.802
  467    HB2  LYS  64           HB2      LYS  64   1.461 -12.223  -3.515
  468    HB3  LYS  64           HB1      LYS  64   0.797 -12.088  -1.901
  469    HG2  LYS  64           HG2      LYS  64  -1.481 -12.310  -2.908
  470    HG3  LYS  64           HG1      LYS  64  -0.691 -12.653  -4.452
  471    HD2  LYS  64           HD2      LYS  64   0.505 -14.532  -3.383
  472    HD3  LYS  64           HD1      LYS  64  -0.367 -14.204  -1.887
  473    HE2  LYS  64           HE2      LYS  64  -1.496 -15.994  -2.949
  474    HE3  LYS  64           HE1      LYS  64  -2.494 -14.563  -3.180
  475    HZ1  LYS  64           HZ1      LYS  64  -0.718 -15.863  -5.154
  476    HZ2  LYS  64           HZ2      LYS  64  -1.467 -14.388  -5.476
  477    HZ3  LYS  64           HZ3      LYS  64  -2.383 -15.778  -5.220
  478    H    ASN  65           HN       ASN  65  -1.566  -9.207  -4.174
  479    HA   ASN  65           HA       ASN  65  -0.779  -9.728  -6.936
  480    HB2  ASN  65           HB2      ASN  65  -3.382  -8.739  -5.754
  481    HB3  ASN  65           HB1      ASN  65  -3.078  -8.922  -7.473
  482   HD21  ASN  65          HD21      ASN  65  -3.833 -10.511  -4.514
  483   HD22  ASN  65          HD22      ASN  65  -4.055 -12.091  -5.183
  484    H    LEU  66           HN       LEU  66  -0.135  -7.386  -4.773
  485    HA   LEU  66           HA       LEU  66  -0.865  -5.126  -6.408
  486    HB2  LEU  66           HB2      LEU  66   0.672  -5.260  -3.834
  487    HB3  LEU  66           HB1      LEU  66   0.190  -3.770  -4.595
  488    HG   LEU  66           HG       LEU  66  -1.550  -5.857  -3.311
  489   HD11  LEU  66          HD11      LEU  66  -0.530  -4.283  -1.830
  490   HD12  LEU  66          HD12      LEU  66  -2.270  -4.015  -1.933
  491   HD13  LEU  66          HD13      LEU  66  -1.157  -2.934  -2.782
  492   HD21  LEU  66          HD21      LEU  66  -2.465  -3.468  -4.899
  493   HD22  LEU  66          HD22      LEU  66  -3.478  -4.574  -3.952
  494   HD23  LEU  66          HD23      LEU  66  -2.626  -5.163  -5.371
  495    H    LYS  67           HN       LYS  67   0.576  -3.605  -7.217
  496    HA   LYS  67           HA       LYS  67   3.307  -4.567  -7.666
  497    HB2  LYS  67           HB2      LYS  67   1.973  -4.933  -9.686
  498    HB3  LYS  67           HB1      LYS  67   1.447  -3.263  -9.682
  499    HG2  LYS  67           HG2      LYS  67   4.007  -2.763  -9.821
  500    HG3  LYS  67           HG1      LYS  67   4.097  -4.430 -10.392
  501    HD2  LYS  67           HD2      LYS  67   2.424  -2.215 -11.557
  502    HD3  LYS  67           HD1      LYS  67   3.893  -2.885 -12.265
  503    HE2  LYS  67           HE2      LYS  67   2.775  -5.059 -12.500
  504    HE3  LYS  67           HE1      LYS  67   1.313  -4.379 -11.791
  505    HZ1  LYS  67           HZ1      LYS  67   2.558  -3.592 -14.376
  506    HZ2  LYS  67           HZ2      LYS  67   1.292  -2.768 -13.648
  507    HZ3  LYS  67           HZ3      LYS  67   1.067  -4.367 -14.143
  508    H    THR  68           HN       THR  68   1.549  -1.638  -8.731
  509    HA   THR  68           HA       THR  68   3.415  -0.062  -7.124
  510    HB   THR  68           HB       THR  68   2.836   1.831  -8.618
  511    HG1  THR  68           HG1      THR  68   1.232  -0.109 -10.007
  512   HG21  THR  68          HG21      THR  68   4.738   0.436  -9.251
  513   HG22  THR  68          HG22      THR  68   3.901   1.034 -10.687
  514   HG23  THR  68          HG23      THR  68   3.668  -0.632 -10.159
  515    H    VAL  69           HN       VAL  69   2.071   2.245  -6.701
  516    HA   VAL  69           HA       VAL  69  -0.188   1.198  -5.315
  517    HB   VAL  69           HB       VAL  69  -0.526   3.177  -4.095
  518   HG11  VAL  69          HG11      VAL  69   1.206   1.872  -3.269
  519   HG12  VAL  69          HG12      VAL  69   1.582   3.576  -2.997
  520   HG13  VAL  69          HG13      VAL  69   2.400   2.680  -4.288
  521   HG21  VAL  69          HG21      VAL  69  -0.318   4.843  -5.748
  522   HG22  VAL  69          HG22      VAL  69   1.419   4.562  -5.887
  523   HG23  VAL  69          HG23      VAL  69   0.744   5.235  -4.401
  524    H    GLY  70           HN       GLY  70   0.315   2.441  -8.319
  525    HA2  GLY  70           HA2      GLY  70  -2.188   3.685  -8.761
  526    HA3  GLY  70           HA1      GLY  70  -1.176   2.921  -9.991
  527    H    ASP  71           HN       ASP  71  -0.949   0.450  -9.214
  528    HA   ASP  71           HA       ASP  71  -3.320  -0.912  -9.893
  529    HB2  ASP  71           HB2      ASP  71  -0.992  -1.988  -8.277
  530    HB3  ASP  71           HB1      ASP  71  -2.144  -2.954  -9.165
  531    H    ALA  72           HN       ALA  72  -1.641  -0.361  -6.849
  532    HA   ALA  72           HA       ALA  72  -3.313  -1.760  -5.144
  533    HB1  ALA  72           HB1      ALA  72  -2.356  -0.503  -3.322
  534    HB2  ALA  72           HB2      ALA  72  -1.755   0.714  -4.446
  535    HB3  ALA  72           HB3      ALA  72  -1.107  -0.928  -4.496
  536    H    THR  73           HN       THR  73  -3.513   1.670  -6.077
  537    HA   THR  73           HA       THR  73  -5.531   2.478  -4.406
  538    HB   THR  73           HB       THR  73  -5.133   3.324  -7.306
  539    HG1  THR  73           HG1      THR  73  -3.300   3.664  -5.888
  540   HG21  THR  73          HG21      THR  73  -6.285   5.363  -6.710
  541   HG22  THR  73          HG22      THR  73  -6.461   4.822  -5.055
  542   HG23  THR  73          HG23      THR  73  -7.347   3.992  -6.348
  543    H    LYS  74           HN       LYS  74  -5.861   1.108  -7.667
  544    HA   LYS  74           HA       LYS  74  -8.692   1.151  -7.779
  545    HB2  LYS  74           HB2      LYS  74  -6.869  -0.721  -9.290
  546    HB3  LYS  74           HB1      LYS  74  -8.477  -0.196  -9.754
  547    HG2  LYS  74           HG2      LYS  74  -5.931   1.404  -9.764
  548    HG3  LYS  74           HG1      LYS  74  -6.920   0.926 -11.139
  549    HD2  LYS  74           HD2      LYS  74  -8.764   2.345 -10.172
  550    HD3  LYS  74           HD1      LYS  74  -7.582   2.920  -8.986
  551    HE2  LYS  74           HE2      LYS  74  -7.441   3.226 -11.987
  552    HE3  LYS  74           HE1      LYS  74  -7.728   4.500 -10.810
  553    HZ1  LYS  74           HZ1      LYS  74  -5.459   4.499 -11.613
  554    HZ2  LYS  74           HZ2      LYS  74  -5.185   2.950 -11.098
  555    HZ3  LYS  74           HZ3      LYS  74  -5.483   4.200  -9.970
  556    H    TYR  75           HN       TYR  75  -6.333  -1.163  -6.780
  557    HA   TYR  75           HA       TYR  75  -7.907  -3.491  -6.591
  558    HB2  TYR  75           HB2      TYR  75  -5.376  -3.247  -6.632
  559    HB3  TYR  75           HB1      TYR  75  -5.496  -2.774  -4.950
  560    HD1  TYR  75           HD2      TYR  75  -6.120  -4.333  -3.271
  561    HD2  TYR  75           HD1      TYR  75  -5.691  -5.561  -7.307
  562    HE1  TYR  75           HE2      TYR  75  -6.090  -6.646  -2.539
  563    HE2  TYR  75           HE1      TYR  75  -5.655  -7.877  -6.640
  564    HH   TYR  75           HH       TYR  75  -5.224  -9.277  -4.514
  565    H    ILE  76           HN       ILE  76  -6.748  -1.166  -4.223
  566    HA   ILE  76           HA       ILE  76  -8.111  -2.094  -1.949
  567    HB   ILE  76           HB       ILE  76  -7.191   0.697  -2.712
  568   HG12  ILE  76          HG12      ILE  76  -5.918  -1.395  -0.932
  569   HG13  ILE  76          HG11      ILE  76  -5.419  -0.997  -2.563
  570   HG21  ILE  76          HG21      ILE  76  -8.064  -0.320  -0.004
  571   HG22  ILE  76          HG22      ILE  76  -8.931   0.842  -1.003
  572   HG23  ILE  76          HG23      ILE  76  -7.355   1.261  -0.329
  573   HD11  ILE  76          HD11      ILE  76  -4.811   1.248  -1.844
  574   HD12  ILE  76          HD12      ILE  76  -3.955   0.013  -0.917
  575   HD13  ILE  76          HD13      ILE  76  -5.324   0.863  -0.203
  576    H    LEU  77           HN       LEU  77  -8.991   0.452  -4.259
  577    HA   LEU  77           HA       LEU  77 -11.350   1.075  -3.055
  578    HB2  LEU  77           HB2      LEU  77 -10.627   1.294  -5.968
  579    HB3  LEU  77           HB1      LEU  77 -12.090   1.985  -5.293
  580    HG   LEU  77           HG       LEU  77  -9.263   2.737  -4.563
  581   HD11  LEU  77          HD11      LEU  77  -9.813   4.874  -5.605
  582   HD12  LEU  77          HD12      LEU  77 -11.393   4.240  -6.071
  583   HD13  LEU  77          HD13      LEU  77  -9.920   3.542  -6.753
  584   HD21  LEU  77          HD21      LEU  77 -11.887   3.856  -3.585
  585   HD22  LEU  77          HD22      LEU  77 -10.290   4.509  -3.223
  586   HD23  LEU  77          HD23      LEU  77 -10.741   2.908  -2.638
  587    H    ASP  78           HN       ASP  78 -10.688  -1.488  -5.359
  588    HA   ASP  78           HA       ASP  78 -13.448  -2.229  -5.717
  589    HB2  ASP  78           HB2      ASP  78 -11.881  -2.659  -7.508
  590    HB3  ASP  78           HB1      ASP  78 -10.881  -3.644  -6.447
  591    H    HIS  79           HN       HIS  79 -10.856  -3.144  -3.617
  592    HA   HIS  79           HA       HIS  79 -12.309  -5.421  -2.551
  593    HB2  HIS  79           HB2      HIS  79  -9.500  -4.424  -2.086
  594    HB3  HIS  79           HB1      HIS  79 -10.217  -5.683  -1.074
  595    HD1  HIS  79           HD1      HIS  79  -8.658  -7.645  -2.030
  596    HD2  HIS  79           HD2      HIS  79 -10.856  -5.636  -4.943
  597    HE1  HIS  79           HE1      HIS  79  -8.580  -9.065  -4.039
  598    HE2  HIS  79           HE2      HIS  79 -10.313  -8.054  -5.509
  599    H    GLN  80           HN       GLN  80 -12.605  -2.332  -2.173
  600    HA   GLN  80           HA       GLN  80 -12.968  -1.945   0.643
  601    HB2  GLN  80           HB2      GLN  80 -13.965  -0.507  -1.809
  602    HB3  GLN  80           HB1      GLN  80 -14.367   0.048  -0.172
  603    HG2  GLN  80           HG2      GLN  80 -11.589  -0.286  -1.190
  604    HG3  GLN  80           HG1      GLN  80 -12.524   1.190  -1.408
  605   HE21  GLN  80          HE21      GLN  80 -10.998   2.271  -0.227
  606   HE22  GLN  80          HE22      GLN  80 -10.949   2.115   1.513
  607    H    ALA  81           HN       ALA  81 -15.305  -1.194   1.300
  608    HA   ALA  81           HA       ALA  81 -17.411  -1.673   1.814
  609    HB1  ALA  81           HB1      ALA  81 -17.607  -2.958  -0.923
  610    HB2  ALA  81           HB2      ALA  81 -17.905  -1.256  -0.575
  611    HB3  ALA  81           HB3      ALA  81 -18.962  -2.492   0.104
  612    H2   SOO 101           H2A      SOO 101   3.954  -5.878  -0.363
  613    H3   SOO 101           H3A      SOO 101   2.070  -3.761  -1.638
  614    H4   SOO 101           H4A      SOO 101   2.216  -4.559   1.185
  615    H4A  SOO 101           H4B      SOO 101   3.653  -3.596   0.850
  616    H5   SOO 101           H5A      SOO 101   2.197  -1.759   0.079
  617    H5A  SOO 101           H5B      SOO 101   1.938  -2.182   1.768
  618    H6   SOO 101           H6A      SOO 101  -0.027  -3.516   1.115
  619    H6A  SOO 101           H6B      SOO 101   0.198  -2.987  -0.554
  620    H7   SOO 101           H7A      SOO 101  -0.118  -0.660   0.121
  621    H7A  SOO 101           H7B      SOO 101  -0.309  -1.172   1.809
  622    H8   SOO 101           H8C      SOO 101  -2.070  -1.973  -0.506
  623    H8A  SOO 101           H8A      SOO 101  -2.474  -0.786   0.734
  624    H8B  SOO 101           H8B      SOO 101  -2.270  -2.482   1.170
  625    H28  SOO 101          H28A      SOO 101  10.482 -11.813   2.540
  626   H28A  SOO 101          H28B      SOO 101   9.436 -10.410   2.299
  627    H30  SOO 101          H30A      SOO 101   7.810 -10.351   0.484
  628   H30A  SOO 101          H30B      SOO 101   7.721 -11.644  -0.714
  629   H30B  SOO 101          H30C      SOO 101   9.124 -10.576  -0.670
  630    H31  SOO 101          H31A      SOO 101  10.416 -13.695   0.809
  631   H31A  SOO 101          H31B      SOO 101  10.622 -12.526  -0.496
  632   H31B  SOO 101          H31C      SOO 101   9.250 -13.633  -0.512
  633    H32  SOO 101          H32A      SOO 101   7.481 -13.549   1.102
  634   HO33  SOO 101          H33A      SOO 101   8.386 -13.134   3.589
  635   HN36  SOO 101          H36A      SOO 101   5.683 -12.047   0.914
  636    H37  SOO 101          H37A      SOO 101   4.701 -11.162   3.448
  637   H37A  SOO 101          H37B      SOO 101   4.967  -9.864   2.312
  638    H38  SOO 101          H38A      SOO 101   3.168 -12.337   1.891
  639   H38A  SOO 101          H38B      SOO 101   2.666 -10.748   2.443
  640   HN41  SOO 101          H41A      SOO 101   4.196  -9.245   0.771
  641    H42  SOO 101          H42A      SOO 101   3.651  -9.719  -2.009
  642   H42A  SOO 101          H42B      SOO 101   2.637  -8.467  -1.282
  643    H43  SOO 101          H43A      SOO 101   5.663  -8.502  -1.276
  644   H43A  SOO 101          H43B      SOO 101   4.616  -7.264  -0.554
  Start of MODEL   16
    1    H1   ALA   1           HT1      ALA   1 -15.578   3.746   2.387
    2    H2   ALA   1           HT2      ALA   1 -14.947   5.218   2.975
    3    H3   ALA   1           HT3      ALA   1 -13.915   3.935   2.667
    4    HA   ALA   1           HA       ALA   1 -14.375   4.050   0.327
    5    HB1  ALA   1           HB1      ALA   1 -16.617   5.027   0.474
    6    HB2  ALA   1           HB2      ALA   1 -15.563   6.018  -0.534
    7    HB3  ALA   1           HB3      ALA   1 -15.931   6.519   1.117
    8    H    ALA   2           HN       ALA   2 -13.110   5.608  -1.026
    9    HA   ALA   2           HA       ALA   2 -11.651   7.684   0.272
   10    HB1  ALA   2           HB1      ALA   2 -10.178   5.133  -0.441
   11    HB2  ALA   2           HB2      ALA   2 -10.444   5.740   1.193
   12    HB3  ALA   2           HB3      ALA   2  -9.428   6.647   0.071
   13    H    THR   3           HN       THR   3  -9.636   8.088  -1.360
   14    HA   THR   3           HA       THR   3 -10.587   7.749  -4.100
   15    HB   THR   3           HB       THR   3  -9.582  10.060  -4.485
   16    HG1  THR   3           HG1      THR   3  -9.660  11.349  -2.452
   17   HG21  THR   3          HG21      THR   3 -11.993   9.905  -2.658
   18   HG22  THR   3          HG22      THR   3 -12.019   9.720  -4.412
   19   HG23  THR   3          HG23      THR   3 -11.576  11.271  -3.695
   20    H    GLN   4           HN       GLN   4  -8.497   8.618  -5.547
   21    HA   GLN   4           HA       GLN   4  -6.337   6.915  -4.891
   22    HB2  GLN   4           HB2      GLN   4  -6.798   7.260  -7.203
   23    HB3  GLN   4           HB1      GLN   4  -6.874   8.993  -7.035
   24    HG2  GLN   4           HG2      GLN   4  -4.294   7.481  -6.659
   25    HG3  GLN   4           HG1      GLN   4  -4.871   7.924  -8.265
   26   HE21  GLN   4          HE21      GLN   4  -2.457   8.815  -6.916
   27   HE22  GLN   4          HE22      GLN   4  -2.584  10.527  -6.764
   28    H    GLU   5           HN       GLU   5  -7.183  10.195  -4.525
   29    HA   GLU   5           HA       GLU   5  -4.860  11.441  -3.646
   30    HB2  GLU   5           HB2      GLU   5  -7.638  11.795  -2.508
   31    HB3  GLU   5           HB1      GLU   5  -6.343  12.975  -2.496
   32    HG2  GLU   5           HG2      GLU   5  -7.632  11.959  -5.021
   33    HG3  GLU   5           HG1      GLU   5  -8.189  13.377  -4.140
   34    H    GLU   6           HN       GLU   6  -7.458   9.996  -1.669
   35    HA   GLU   6           HA       GLU   6  -6.076  10.142   0.759
   36    HB2  GLU   6           HB2      GLU   6  -8.491   8.578  -0.056
   37    HB3  GLU   6           HB1      GLU   6  -7.803   8.430   1.555
   38    HG2  GLU   6           HG2      GLU   6  -8.852  10.931   0.270
   39    HG3  GLU   6           HG1      GLU   6  -9.610  10.010   1.573
   40    H    ILE   7           HN       ILE   7  -6.221   7.540  -1.584
   41    HA   ILE   7           HA       ILE   7  -4.991   5.659   0.134
   42    HB   ILE   7           HB       ILE   7  -5.245   5.711  -2.886
   43   HG12  ILE   7          HG12      ILE   7  -6.656   4.120  -0.731
   44   HG13  ILE   7          HG11      ILE   7  -7.326   5.484  -1.613
   45   HG21  ILE   7          HG21      ILE   7  -4.217   3.456  -1.132
   46   HG22  ILE   7          HG22      ILE   7  -3.254   4.396  -2.273
   47   HG23  ILE   7          HG23      ILE   7  -4.543   3.347  -2.863
   48   HD11  ILE   7          HD11      ILE   7  -6.517   2.849  -2.794
   49   HD12  ILE   7          HD12      ILE   7  -7.205   4.212  -3.678
   50   HD13  ILE   7          HD13      ILE   7  -8.163   3.378  -2.452
   51    H    VAL   8           HN       VAL   8  -3.648   7.417  -2.653
   52    HA   VAL   8           HA       VAL   8  -1.025   6.578  -2.274
   53    HB   VAL   8           HB       VAL   8  -2.213   8.958  -3.717
   54   HG11  VAL   8          HG11      VAL   8   0.136   9.467  -3.155
   55   HG12  VAL   8          HG12      VAL   8  -0.080   9.183  -4.883
   56   HG13  VAL   8          HG13      VAL   8   0.630   7.929  -3.864
   57   HG21  VAL   8          HG21      VAL   8  -1.621   7.533  -5.680
   58   HG22  VAL   8          HG22      VAL   8  -2.856   6.861  -4.618
   59   HG23  VAL   8          HG23      VAL   8  -1.204   6.256  -4.543
   60    H    ALA   9           HN       ALA   9  -2.436   9.750  -1.372
   61    HA   ALA   9           HA       ALA   9  -0.068  10.662  -0.117
   62    HB1  ALA   9           HB1      ALA   9  -1.432  12.477   0.776
   63    HB2  ALA   9           HB2      ALA   9  -2.901  11.600   0.337
   64    HB3  ALA   9           HB3      ALA   9  -1.819  12.188  -0.922
   65    H    GLY  10           HN       GLY  10  -2.880   8.944   1.086
   66    HA2  GLY  10           HA2      GLY  10  -2.229   9.214   3.848
   67    HA3  GLY  10           HA1      GLY  10  -3.390   8.092   3.151
   68    H    LEU  11           HN       LEU  11  -1.636   6.715   1.407
   69    HA   LEU  11           HA       LEU  11  -0.687   4.627   2.897
   70    HB2  LEU  11           HB2      LEU  11  -0.728   5.436   0.204
   71    HB3  LEU  11           HB1      LEU  11   0.927   4.979   0.540
   72    HG   LEU  11           HG       LEU  11  -1.516   3.238   0.955
   73   HD11  LEU  11          HD11      LEU  11  -0.650   1.952  -0.931
   74   HD12  LEU  11          HD12      LEU  11   0.635   3.139  -1.151
   75   HD13  LEU  11          HD13      LEU  11  -1.049   3.604  -1.396
   76   HD21  LEU  11          HD21      LEU  11   0.100   1.445   1.341
   77   HD22  LEU  11          HD22      LEU  11   0.257   2.730   2.540
   78   HD23  LEU  11          HD23      LEU  11   1.418   2.610   1.219
   79    H    ALA  12           HN       ALA  12   0.983   7.462   1.745
   80    HA   ALA  12           HA       ALA  12   3.578   6.745   2.387
   81    HB1  ALA  12           HB1      ALA  12   2.985   8.598   0.945
   82    HB2  ALA  12           HB2      ALA  12   4.130   9.052   2.215
   83    HB3  ALA  12           HB3      ALA  12   2.428   9.513   2.354
   84    H    GLU  13           HN       GLU  13   1.069   8.036   4.467
   85    HA   GLU  13           HA       GLU  13   2.678   8.787   6.662
   86    HB2  GLU  13           HB2      GLU  13  -0.167   7.793   6.492
   87    HB3  GLU  13           HB1      GLU  13   0.571   8.305   8.000
   88    HG2  GLU  13           HG2      GLU  13   0.345  10.058   5.573
   89    HG3  GLU  13           HG1      GLU  13  -0.846  10.013   6.879
   90    H    ILE  14           HN       ILE  14   1.015   5.814   5.890
   91    HA   ILE  14           HA       ILE  14   1.909   4.313   8.126
   92    HB   ILE  14           HB       ILE  14   0.868   3.368   5.423
   93   HG12  ILE  14          HG12      ILE  14  -1.182   2.715   6.795
   94   HG13  ILE  14          HG11      ILE  14  -0.506   3.663   8.104
   95   HG21  ILE  14          HG21      ILE  14   2.220   1.641   6.397
   96   HG22  ILE  14          HG22      ILE  14   0.515   1.189   6.472
   97   HG23  ILE  14          HG23      ILE  14   1.338   1.767   7.917
   98   HD11  ILE  14          HD11      ILE  14  -1.334   4.694   5.405
   99   HD12  ILE  14          HD12      ILE  14  -0.640   5.662   6.704
  100   HD13  ILE  14          HD13      ILE  14  -2.214   4.892   6.922
  101    H    VAL  15           HN       VAL  15   2.927   4.500   4.766
  102    HA   VAL  15           HA       VAL  15   5.016   2.678   4.825
  103    HB   VAL  15           HB       VAL  15   4.649   5.162   3.124
  104   HG11  VAL  15          HG11      VAL  15   7.008   4.614   3.216
  105   HG12  VAL  15          HG12      VAL  15   6.343   4.224   1.630
  106   HG13  VAL  15          HG13      VAL  15   6.659   2.937   2.801
  107   HG21  VAL  15          HG21      VAL  15   4.248   2.228   2.553
  108   HG22  VAL  15          HG22      VAL  15   4.027   3.543   1.400
  109   HG23  VAL  15          HG23      VAL  15   2.975   3.422   2.810
  110    H    ASN  16           HN       ASN  16   5.035   6.121   5.592
  111    HA   ASN  16           HA       ASN  16   7.803   6.356   5.942
  112    HB2  ASN  16           HB2      ASN  16   6.265   8.232   5.538
  113    HB3  ASN  16           HB1      ASN  16   5.624   8.029   7.163
  114   HD21  ASN  16          HD21      ASN  16   8.370   8.901   5.274
  115   HD22  ASN  16          HD22      ASN  16   9.171   9.830   6.494
  116    H    GLU  17           HN       GLU  17   5.261   5.413   8.204
  117    HA   GLU  17           HA       GLU  17   7.133   5.545  10.388
  118    HB2  GLU  17           HB2      GLU  17   5.281   4.633  11.787
  119    HB3  GLU  17           HB1      GLU  17   4.871   6.115  10.939
  120    HG2  GLU  17           HG2      GLU  17   3.646   4.817   9.278
  121    HG3  GLU  17           HG1      GLU  17   4.090   3.339  10.123
  122    H    ILE  18           HN       ILE  18   5.808   3.017   8.374
  123    HA   ILE  18           HA       ILE  18   7.051   0.944   9.971
  124    HB   ILE  18           HB       ILE  18   5.456   0.793   7.403
  125   HG12  ILE  18          HG12      ILE  18   4.829   0.147  10.292
  126   HG13  ILE  18          HG11      ILE  18   4.241   1.526   9.380
  127   HG21  ILE  18          HG21      ILE  18   7.052  -1.093   7.540
  128   HG22  ILE  18          HG22      ILE  18   5.396  -1.640   7.784
  129   HG23  ILE  18          HG23      ILE  18   6.477  -1.456   9.166
  130   HD11  ILE  18          HD11      ILE  18   2.998   0.044   7.930
  131   HD12  ILE  18          HD12      ILE  18   2.553  -0.180   9.624
  132   HD13  ILE  18          HD13      ILE  18   3.610  -1.346   8.823
  133    H    ALA  19           HN       ALA  19   7.524   2.169   6.644
  134    HA   ALA  19           HA       ALA  19   9.981   0.581   6.495
  135    HB1  ALA  19           HB1      ALA  19   8.585   2.169   4.352
  136    HB2  ALA  19           HB2      ALA  19   8.419   0.434   4.620
  137    HB3  ALA  19           HB3      ALA  19   9.973   1.105   4.124
  138    H    GLY  20           HN       GLY  20   8.883   3.845   6.752
  139    HA2  GLY  20           HA2      GLY  20  10.150   5.709   7.339
  140    HA3  GLY  20           HA1      GLY  20  11.607   4.735   7.180
  141    H    ILE  21           HN       ILE  21   9.202   4.943   4.713
  142    HA   ILE  21           HA       ILE  21  11.160   6.068   2.874
  143    HB   ILE  21           HB       ILE  21   8.412   4.849   2.467
  144   HG12  ILE  21          HG12      ILE  21  10.053   3.183   3.061
  145   HG13  ILE  21          HG11      ILE  21   9.617   2.991   1.369
  146   HG21  ILE  21          HG21      ILE  21   8.806   4.863   0.058
  147   HG22  ILE  21          HG22      ILE  21  10.276   5.806   0.314
  148   HG23  ILE  21          HG23      ILE  21   8.706   6.488   0.739
  149   HD11  ILE  21          HD11      ILE  21  12.121   4.295   2.415
  150   HD12  ILE  21          HD12      ILE  21  11.696   4.092   0.714
  151   HD13  ILE  21          HD13      ILE  21  12.001   2.678   1.720
  152    HA   PRO  22           HA       PRO  22   9.775  10.317   3.085
  153    HB2  PRO  22           HB2      PRO  22   9.777   9.980   0.109
  154    HB3  PRO  22           HB1      PRO  22  10.405  11.315   1.084
  155    HG2  PRO  22           HG2      PRO  22  12.058   9.490   0.108
  156    HG3  PRO  22           HG1      PRO  22  12.282  10.121   1.750
  157    HD2  PRO  22           HD2      PRO  22  11.285   7.472   0.865
  158    HD3  PRO  22           HD1      PRO  22  12.148   7.919   2.349
  159    H    VAL  23           HN       VAL  23   7.941  11.438   3.006
  160    HA   VAL  23           HA       VAL  23   5.505   9.923   2.688
  161    HB   VAL  23           HB       VAL  23   4.350  11.930   3.571
  162   HG11  VAL  23          HG11      VAL  23   6.795  11.099   5.124
  163   HG12  VAL  23          HG12      VAL  23   5.245  10.258   5.103
  164   HG13  VAL  23          HG13      VAL  23   5.360  11.878   5.793
  165   HG21  VAL  23          HG21      VAL  23   7.124  13.083   3.571
  166   HG22  VAL  23          HG22      VAL  23   5.710  13.846   4.318
  167   HG23  VAL  23          HG23      VAL  23   5.781  13.607   2.564
  168    H    GLU  24           HN       GLU  24   7.151  11.228   0.387
  169    HA   GLU  24           HA       GLU  24   4.782  11.935  -1.192
  170    HB2  GLU  24           HB2      GLU  24   6.093  13.725  -2.305
  171    HB3  GLU  24           HB1      GLU  24   5.804  14.052  -0.602
  172    HG2  GLU  24           HG2      GLU  24   8.070  13.348  -0.062
  173    HG3  GLU  24           HG1      GLU  24   8.364  12.960  -1.756
  174    H    ASP  25           HN       ASP  25   6.863   9.708  -0.739
  175    HA   ASP  25           HA       ASP  25   7.913   9.529  -3.466
  176    HB2  ASP  25           HB2      ASP  25   9.572   9.485  -1.676
  177    HB3  ASP  25           HB1      ASP  25   8.777   8.127  -0.919
  178    H    VAL  26           HN       VAL  26   5.329   8.506  -1.690
  179    HA   VAL  26           HA       VAL  26   5.274   5.839  -2.856
  180    HB   VAL  26           HB       VAL  26   3.346   7.111  -0.871
  181   HG11  VAL  26          HG11      VAL  26   2.657   4.816  -0.386
  182   HG12  VAL  26          HG12      VAL  26   3.775   4.222  -1.614
  183   HG13  VAL  26          HG13      VAL  26   2.400   5.227  -2.081
  184   HG21  VAL  26          HG21      VAL  26   5.693   5.307  -0.295
  185   HG22  VAL  26          HG22      VAL  26   4.488   5.832   0.883
  186   HG23  VAL  26          HG23      VAL  26   5.560   7.014   0.130
  187    H    LYS  27           HN       LYS  27   5.079   6.875  -4.902
  188    HA   LYS  27           HA       LYS  27   2.557   8.298  -5.436
  189    HB2  LYS  27           HB2      LYS  27   5.052   8.106  -7.132
  190    HB3  LYS  27           HB1      LYS  27   3.618   9.064  -7.470
  191    HG2  LYS  27           HG2      LYS  27   4.050  10.507  -5.623
  192    HG3  LYS  27           HG1      LYS  27   5.385   9.486  -5.080
  193    HD2  LYS  27           HD2      LYS  27   6.267  11.416  -6.247
  194    HD3  LYS  27           HD1      LYS  27   6.572   9.963  -7.192
  195    HE2  LYS  27           HE2      LYS  27   5.859  11.683  -8.694
  196    HE3  LYS  27           HE1      LYS  27   4.546  10.518  -8.554
  197    HZ1  LYS  27           HZ1      LYS  27   3.492  12.074  -6.924
  198    HZ2  LYS  27           HZ2      LYS  27   3.665  12.713  -8.470
  199    HZ3  LYS  27           HZ3      LYS  27   4.742  13.175  -7.267
  200    H    LEU  28           HN       LEU  28   1.569   7.834  -7.581
  201    HA   LEU  28           HA       LEU  28   0.621   5.307  -7.838
  202    HB2  LEU  28           HB2      LEU  28   0.855   7.421  -9.956
  203    HB3  LEU  28           HB1      LEU  28  -0.006   5.918 -10.209
  204    HG   LEU  28           HG       LEU  28  -0.691   7.978  -8.103
  205   HD11  LEU  28          HD11      LEU  28  -2.666   8.403  -9.461
  206   HD12  LEU  28          HD12      LEU  28  -2.062   7.294 -10.693
  207   HD13  LEU  28          HD13      LEU  28  -1.185   8.790 -10.343
  208   HD21  LEU  28          HD21      LEU  28  -2.732   6.654  -7.819
  209   HD22  LEU  28          HD22      LEU  28  -1.288   5.748  -7.396
  210   HD23  LEU  28          HD23      LEU  28  -2.100   5.440  -8.934
  211    H    ASP  29           HN       ASP  29   3.368   6.546  -9.764
  212    HA   ASP  29           HA       ASP  29   3.676   3.834 -10.821
  213    HB2  ASP  29           HB2      ASP  29   3.523   5.764 -12.417
  214    HB3  ASP  29           HB1      ASP  29   5.023   6.382 -11.740
  215    H    LYS  30           HN       LYS  30   4.308   3.874  -8.300
  216    HA   LYS  30           HA       LYS  30   7.223   3.697  -8.280
  217    HB2  LYS  30           HB2      LYS  30   5.410   4.655  -6.049
  218    HB3  LYS  30           HB1      LYS  30   7.136   4.361  -5.885
  219    HG2  LYS  30           HG2      LYS  30   6.080   6.301  -7.913
  220    HG3  LYS  30           HG1      LYS  30   6.330   6.775  -6.235
  221    HD2  LYS  30           HD2      LYS  30   8.490   5.511  -7.908
  222    HD3  LYS  30           HD1      LYS  30   8.230   7.262  -7.844
  223    HE2  LYS  30           HE2      LYS  30   8.447   7.189  -5.423
  224    HE3  LYS  30           HE1      LYS  30   8.728   5.463  -5.497
  225    HZ1  LYS  30           HZ1      LYS  30  10.679   6.935  -5.253
  226    HZ2  LYS  30           HZ2      LYS  30  10.543   7.363  -6.894
  227    HZ3  LYS  30           HZ3      LYS  30  10.773   5.726  -6.407
  228    H    SER  31           HN       SER  31   7.569   1.643  -8.321
  229    HA   SER  31           HA       SER  31   5.744  -0.354  -7.481
  230    HB2  SER  31           HB2      SER  31   8.689  -0.623  -8.119
  231    HB3  SER  31           HB1      SER  31   7.482  -1.910  -8.139
  232    HG   SER  31           HG       SER  31   8.141  -0.217 -10.090
  233    H    PHE  32           HN       PHE  32   5.777  -1.682  -5.691
  234    HA   PHE  32           HA       PHE  32   6.898  -0.565  -3.356
  235    HB2  PHE  32           HB2      PHE  32   5.385  -3.120  -3.764
  236    HB3  PHE  32           HB1      PHE  32   6.095  -2.712  -2.205
  237    HD1  PHE  32           HD2      PHE  32   3.616  -1.737  -4.722
  238    HD2  PHE  32           HD1      PHE  32   5.155  -1.018  -0.831
  239    HE1  PHE  32           HE2      PHE  32   1.638  -0.366  -4.201
  240    HE2  PHE  32           HE1      PHE  32   3.189   0.350  -0.302
  241    HZ   PHE  32           HZ       PHE  32   1.445   0.704  -1.984
  242    H    THR  33           HN       THR  33   7.491  -4.044  -3.908
  243    HA   THR  33           HA       THR  33  10.091  -3.390  -2.902
  244    HB   THR  33           HB       THR  33   9.032  -5.294  -1.831
  245    HG1  THR  33           HG1      THR  33  11.456  -5.236  -2.496
  246   HG21  THR  33          HG21      THR  33   8.675  -7.432  -3.015
  247   HG22  THR  33          HG22      THR  33   9.158  -6.626  -4.521
  248   HG23  THR  33          HG23      THR  33   7.698  -6.107  -3.675
  249    H    ASP  34           HN       ASP  34  10.611  -2.191  -4.681
  250    HA   ASP  34           HA       ASP  34  12.341  -3.389  -6.525
  251    HB2  ASP  34           HB2      ASP  34  10.278  -4.033  -7.731
  252    HB3  ASP  34           HB1      ASP  34   9.755  -2.350  -7.739
  253    H    ASP  35           HN       ASP  35  10.227  -0.638  -5.794
  254    HA   ASP  35           HA       ASP  35  12.429   1.155  -6.565
  255    HB2  ASP  35           HB2      ASP  35  10.296   1.436  -7.835
  256    HB3  ASP  35           HB1      ASP  35   9.470   1.757  -6.321
  257    H    LEU  36           HN       LEU  36   9.647   0.973  -4.378
  258    HA   LEU  36           HA       LEU  36  10.715   2.823  -2.482
  259    HB2  LEU  36           HB2      LEU  36   8.474   0.844  -2.085
  260    HB3  LEU  36           HB1      LEU  36   8.762   2.310  -1.173
  261    HG   LEU  36           HG       LEU  36   7.858   2.114  -4.038
  262   HD11  LEU  36          HD11      LEU  36   6.447   3.081  -1.565
  263   HD12  LEU  36          HD12      LEU  36   6.117   1.588  -2.449
  264   HD13  LEU  36          HD13      LEU  36   5.810   3.149  -3.209
  265   HD21  LEU  36          HD21      LEU  36   7.665   4.554  -3.948
  266   HD22  LEU  36          HD22      LEU  36   9.327   3.991  -3.775
  267   HD23  LEU  36          HD23      LEU  36   8.434   4.545  -2.356
  268    H    ASP  37           HN       ASP  37   9.921  -0.574  -2.321
  269    HA   ASP  37           HA       ASP  37  10.415  -2.280  -1.070
  270    HB2  ASP  37           HB2      ASP  37  13.137  -1.001  -0.995
  271    HB3  ASP  37           HB1      ASP  37  12.807  -2.542  -0.206
  272    H    VAL  38           HN       VAL  38   9.250  -2.523   0.499
  273    HA   VAL  38           HA       VAL  38   9.556  -0.828   2.875
  274    HB   VAL  38           HB       VAL  38   7.311  -2.750   2.176
  275   HG11  VAL  38          HG11      VAL  38   7.423  -0.467   4.150
  276   HG12  VAL  38          HG12      VAL  38   7.438  -2.187   4.541
  277   HG13  VAL  38          HG13      VAL  38   6.005  -1.461   3.814
  278   HG21  VAL  38          HG21      VAL  38   7.423   0.225   1.676
  279   HG22  VAL  38          HG22      VAL  38   5.997  -0.792   1.464
  280   HG23  VAL  38          HG23      VAL  38   7.417  -1.042   0.450
  281    H    ASP  39           HN       ASP  39  11.610  -2.406   2.697
  282    HA   ASP  39           HA       ASP  39  12.870  -4.121   3.458
  283    HB2  ASP  39           HB2      ASP  39  12.041  -2.903   5.585
  284    HB3  ASP  39           HB1      ASP  39  10.935  -4.293   5.676
  285    H    SER  40           HN       SER  40  10.637  -4.645   1.976
  286    HA   SER  40           HA       SER  40   9.422  -6.194   0.869
  287    HB2  SER  40           HB2      SER  40  10.199  -8.487   0.771
  288    HB3  SER  40           HB1      SER  40  11.552  -7.368   0.614
  289    H    LEU  41           HN       LEU  41  10.004  -7.830   3.898
  290    HA   LEU  41           HA       LEU  41   7.393  -8.950   3.920
  291    HB2  LEU  41           HB2      LEU  41   7.963  -9.802   6.177
  292    HB3  LEU  41           HB1      LEU  41   9.114 -10.222   4.933
  293    HG   LEU  41           HG       LEU  41  10.566  -8.327   5.820
  294   HD11  LEU  41          HD11      LEU  41   8.695  -8.505   8.175
  295   HD12  LEU  41          HD12      LEU  41   8.842  -7.156   7.060
  296   HD13  LEU  41          HD13      LEU  41  10.206  -7.579   8.103
  297   HD21  LEU  41          HD21      LEU  41  11.446  -9.695   7.650
  298   HD22  LEU  41          HD22      LEU  41  11.063 -10.665   6.228
  299   HD23  LEU  41          HD23      LEU  41   9.976 -10.669   7.618
  300    H    SER  42           HN       SER  42   8.683  -6.005   5.221
  301    HA   SER  42           HA       SER  42   6.643  -5.597   7.122
  302    HB2  SER  42           HB2      SER  42   8.496  -3.577   5.842
  303    HB3  SER  42           HB1      SER  42   7.537  -3.323   7.302
  304    HG   SER  42           HG       SER  42   8.860  -4.466   8.412
  305    H    MET  43           HN       MET  43   6.676  -5.426   3.802
  306    HA   MET  43           HA       MET  43   4.992  -3.403   3.174
  307    HB2  MET  43           HB2      MET  43   5.912  -4.712   1.355
  308    HB3  MET  43           HB1      MET  43   5.157  -6.178   1.966
  309    HG2  MET  43           HG2      MET  43   3.640  -3.838   0.952
  310    HG3  MET  43           HG1      MET  43   4.316  -5.098  -0.105
  311    HE1  MET  43           HE1      MET  43   3.419  -7.562  -0.148
  312    HE2  MET  43           HE2      MET  43   2.237  -8.221   0.988
  313    HE3  MET  43           HE3      MET  43   3.831  -7.716   1.558
  314    H    VAL  44           HN       VAL  44   4.262  -6.604   4.186
  315    HA   VAL  44           HA       VAL  44   1.481  -6.606   4.143
  316    HB   VAL  44           HB       VAL  44   3.166  -8.101   6.167
  317   HG11  VAL  44          HG11      VAL  44   0.448  -8.723   5.026
  318   HG12  VAL  44          HG12      VAL  44   0.792  -8.169   6.664
  319   HG13  VAL  44          HG13      VAL  44   1.362  -9.752   6.131
  320   HG21  VAL  44          HG21      VAL  44   4.028  -8.469   3.960
  321   HG22  VAL  44          HG22      VAL  44   2.413  -8.884   3.354
  322   HG23  VAL  44          HG23      VAL  44   3.218  -9.932   4.531
  323    H    GLU  45           HN       GLU  45   3.702  -5.408   6.588
  324    HA   GLU  45           HA       GLU  45   1.717  -4.977   8.576
  325    HB2  GLU  45           HB2      GLU  45   4.450  -3.712   8.314
  326    HB3  GLU  45           HB1      GLU  45   3.447  -3.716   9.763
  327    HG2  GLU  45           HG2      GLU  45   3.536  -6.199   9.733
  328    HG3  GLU  45           HG1      GLU  45   4.699  -6.087   8.416
  329    H    VAL  46           HN       VAL  46   3.302  -2.905   6.162
  330    HA   VAL  46           HA       VAL  46   1.849  -0.584   6.545
  331    HB   VAL  46           HB       VAL  46   2.741  -1.831   3.911
  332   HG11  VAL  46          HG11      VAL  46   1.797   1.015   4.405
  333   HG12  VAL  46          HG12      VAL  46   0.933  -0.197   3.472
  334   HG13  VAL  46          HG13      VAL  46   2.485   0.404   2.905
  335   HG21  VAL  46          HG21      VAL  46   4.530  -1.299   5.450
  336   HG22  VAL  46          HG22      VAL  46   3.914   0.346   5.620
  337   HG23  VAL  46          HG23      VAL  46   4.554  -0.202   4.069
  338    H    VAL  47           HN       VAL  47   0.908  -3.457   4.703
  339    HA   VAL  47           HA       VAL  47  -1.633  -2.727   3.854
  340    HB   VAL  47           HB       VAL  47  -0.751  -5.457   4.856
  341   HG11  VAL  47          HG11      VAL  47  -2.565  -6.357   3.477
  342   HG12  VAL  47          HG12      VAL  47  -3.083  -4.717   3.090
  343   HG13  VAL  47          HG13      VAL  47  -3.185  -5.306   4.750
  344   HG21  VAL  47          HG21      VAL  47   0.633  -4.626   3.059
  345   HG22  VAL  47          HG22      VAL  47  -0.800  -4.289   2.089
  346   HG23  VAL  47          HG23      VAL  47  -0.382  -5.954   2.496
  347    H    VAL  48           HN       VAL  48  -0.786  -4.312   6.929
  348    HA   VAL  48           HA       VAL  48  -3.247  -4.486   8.198
  349    HB   VAL  48           HB       VAL  48  -0.642  -3.660   9.520
  350   HG11  VAL  48          HG11      VAL  48  -3.065  -5.022  10.686
  351   HG12  VAL  48          HG12      VAL  48  -2.546  -3.368  11.003
  352   HG13  VAL  48          HG13      VAL  48  -1.549  -4.722  11.534
  353   HG21  VAL  48          HG21      VAL  48  -0.347  -5.659   8.199
  354   HG22  VAL  48          HG22      VAL  48  -1.755  -6.391   8.974
  355   HG23  VAL  48          HG23      VAL  48  -0.300  -6.051   9.923
  356    H    ALA  49           HN       ALA  49  -1.017  -1.761   8.321
  357    HA   ALA  49           HA       ALA  49  -2.786  -0.129   9.861
  358    HB1  ALA  49           HB1      ALA  49  -0.261   0.655   8.416
  359    HB2  ALA  49           HB2      ALA  49  -0.352   0.068  10.075
  360    HB3  ALA  49           HB3      ALA  49  -1.094   1.609   9.640
  361    H    ALA  50           HN       ALA  50  -2.153  -0.562   6.475
  362    HA   ALA  50           HA       ALA  50  -3.556   1.737   5.585
  363    HB1  ALA  50           HB1      ALA  50  -3.640   0.605   3.406
  364    HB2  ALA  50           HB2      ALA  50  -3.097  -0.895   4.162
  365    HB3  ALA  50           HB3      ALA  50  -2.025   0.503   4.108
  366    H    GLU  51           HN       GLU  51  -4.438  -1.594   6.303
  367    HA   GLU  51           HA       GLU  51  -7.103  -1.482   5.584
  368    HB2  GLU  51           HB2      GLU  51  -5.804  -3.057   7.803
  369    HB3  GLU  51           HB1      GLU  51  -7.474  -3.280   7.311
  370    HG2  GLU  51           HG2      GLU  51  -6.680  -3.902   5.056
  371    HG3  GLU  51           HG1      GLU  51  -5.021  -3.761   5.637
  372    H    GLU  52           HN       GLU  52  -5.462  -0.533   8.439
  373    HA   GLU  52           HA       GLU  52  -7.647   0.314   9.982
  374    HB2  GLU  52           HB2      GLU  52  -5.483  -0.025  10.968
  375    HB3  GLU  52           HB1      GLU  52  -4.753   1.157   9.898
  376    HG2  GLU  52           HG2      GLU  52  -4.972   2.034  12.125
  377    HG3  GLU  52           HG1      GLU  52  -6.004   2.925  11.009
  378    H    ARG  53           HN       ARG  53  -5.349   2.149   8.018
  379    HA   ARG  53           HA       ARG  53  -6.355   4.705   8.287
  380    HB2  ARG  53           HB2      ARG  53  -4.125   4.132   7.452
  381    HB3  ARG  53           HB1      ARG  53  -4.838   3.553   5.961
  382    HG2  ARG  53           HG2      ARG  53  -3.921   5.699   5.528
  383    HG3  ARG  53           HG1      ARG  53  -5.671   5.880   5.547
  384    HD2  ARG  53           HD2      ARG  53  -3.891   6.495   7.909
  385    HD3  ARG  53           HD1      ARG  53  -4.376   7.695   6.720
  386    HE   ARG  53           HE       ARG  53  -6.740   6.826   7.497
  387   HH11  ARG  53          HH11      ARG  53  -3.923   7.450   9.606
  388   HH12  ARG  53          HH12      ARG  53  -4.906   8.109  10.853
  389   HH21  ARG  53          HH21      ARG  53  -7.974   7.697   9.257
  390   HH22  ARG  53          HH22      ARG  53  -7.188   8.218  10.689
  391    H    PHE  54           HN       PHE  54  -7.169   2.347   5.723
  392    HA   PHE  54           HA       PHE  54  -8.949   4.407   4.568
  393    HB2  PHE  54           HB2      PHE  54  -8.304   1.738   3.329
  394    HB3  PHE  54           HB1      PHE  54  -9.004   3.147   2.555
  395    HD1  PHE  54           HD1      PHE  54  -7.425   5.302   2.985
  396    HD2  PHE  54           HD2      PHE  54  -6.179   1.261   2.664
  397    HE1  PHE  54           HE1      PHE  54  -5.185   6.055   2.232
  398    HE2  PHE  54           HE2      PHE  54  -3.948   1.984   1.925
  399    HZ   PHE  54           HZ       PHE  54  -3.391   4.290   1.788
  400    H    ASP  55           HN       ASP  55  -9.189   1.987   6.758
  401    HA   ASP  55           HA       ASP  55 -10.753   0.532   7.502
  402    HB2  ASP  55           HB2      ASP  55 -12.621   2.370   5.957
  403    HB3  ASP  55           HB1      ASP  55 -13.205   1.025   6.926
  404    H    VAL  56           HN       VAL  56  -9.317   0.032   5.218
  405    HA   VAL  56           HA       VAL  56 -11.029  -1.415   3.381
  406    HB   VAL  56           HB       VAL  56  -9.162   0.046   2.537
  407   HG11  VAL  56          HG11      VAL  56  -7.493  -0.306   4.164
  408   HG12  VAL  56          HG12      VAL  56  -6.862  -0.772   2.580
  409   HG13  VAL  56          HG13      VAL  56  -7.362  -2.008   3.732
  410   HG21  VAL  56          HG21      VAL  56  -8.268  -1.471   0.832
  411   HG22  VAL  56          HG22      VAL  56 -10.007  -1.674   1.055
  412   HG23  VAL  56          HG23      VAL  56  -8.887  -2.848   1.747
  413    H    LYS  57           HN       LYS  57 -10.134  -3.603   2.728
  414    HA   LYS  57           HA       LYS  57  -9.161  -5.180   5.011
  415    HB2  LYS  57           HB2      LYS  57 -11.616  -5.771   3.336
  416    HB3  LYS  57           HB1      LYS  57 -10.739  -7.058   4.130
  417    HG2  LYS  57           HG2      LYS  57 -12.615  -6.532   5.480
  418    HG3  LYS  57           HG1      LYS  57 -11.195  -5.916   6.309
  419    HD2  LYS  57           HD2      LYS  57 -11.728  -3.659   5.460
  420    HD3  LYS  57           HD1      LYS  57 -13.180  -4.313   4.697
  421    HE2  LYS  57           HE2      LYS  57 -14.028  -5.002   6.873
  422    HE3  LYS  57           HE1      LYS  57 -12.563  -4.400   7.647
  423    HZ1  LYS  57           HZ1      LYS  57 -13.156  -2.163   6.854
  424    HZ2  LYS  57           HZ2      LYS  57 -14.297  -2.808   7.884
  425    HZ3  LYS  57           HZ3      LYS  57 -14.617  -2.778   6.230
  426    H    ILE  58           HN       ILE  58  -7.297  -6.061   4.354
  427    HA   ILE  58           HA       ILE  58  -7.204  -7.083   1.620
  428    HB   ILE  58           HB       ILE  58  -4.878  -5.511   2.745
  429   HG12  ILE  58          HG12      ILE  58  -6.891  -4.560   0.681
  430   HG13  ILE  58          HG11      ILE  58  -6.846  -3.992   2.346
  431   HG21  ILE  58          HG21      ILE  58  -5.639  -6.503   0.030
  432   HG22  ILE  58          HG22      ILE  58  -4.407  -7.224   1.077
  433   HG23  ILE  58          HG23      ILE  58  -4.158  -5.604   0.385
  434   HD11  ILE  58          HD11      ILE  58  -5.784  -2.407   0.839
  435   HD12  ILE  58          HD12      ILE  58  -4.662  -3.655   0.297
  436   HD13  ILE  58          HD13      ILE  58  -4.608  -3.085   1.966
  437    HA   PRO  59           HA       PRO  59  -5.389 -10.320   4.228
  438    HB2  PRO  59           HB2      PRO  59  -5.713 -12.287   2.358
  439    HB3  PRO  59           HB1      PRO  59  -7.002 -11.792   3.459
  440    HG2  PRO  59           HG2      PRO  59  -6.561 -11.069   0.602
  441    HG3  PRO  59           HG1      PRO  59  -8.076 -11.424   1.451
  442    HD2  PRO  59           HD2      PRO  59  -7.238  -8.897   0.864
  443    HD3  PRO  59           HD1      PRO  59  -8.264  -9.287   2.259
  444    H    ASP  60           HN       ASP  60  -3.295 -11.079   4.212
  445    HA   ASP  60           HA       ASP  60  -1.480  -9.921   2.388
  446    HB2  ASP  60           HB2      ASP  60   0.309 -11.148   3.394
  447    HB3  ASP  60           HB1      ASP  60  -0.703 -10.442   4.650
  448    H    ASP  61           HN       ASP  61  -3.158 -12.851   2.288
  449    HA   ASP  61           HA       ASP  61  -1.606 -14.296   0.409
  450    HB2  ASP  61           HB2      ASP  61  -3.424 -15.317   1.694
  451    HB3  ASP  61           HB1      ASP  61  -4.590 -14.266   0.905
  452    H    ASP  62           HN       ASP  62  -4.079 -11.834   0.106
  453    HA   ASP  62           HA       ASP  62  -4.142 -12.168  -2.772
  454    HB2  ASP  62           HB2      ASP  62  -6.158 -11.688  -1.202
  455    HB3  ASP  62           HB1      ASP  62  -5.588 -10.021  -1.299
  456    H    VAL  63           HN       VAL  63  -2.858  -9.912  -0.394
  457    HA   VAL  63           HA       VAL  63  -2.513  -7.722  -2.119
  458    HB   VAL  63           HB       VAL  63  -2.453  -7.524   0.363
  459   HG11  VAL  63          HG11      VAL  63  -0.447  -8.022   1.608
  460   HG12  VAL  63          HG12      VAL  63   0.334  -8.604   0.140
  461   HG13  VAL  63          HG13      VAL  63  -1.043  -9.481   0.798
  462   HG21  VAL  63          HG21      VAL  63  -1.608  -5.698  -1.025
  463   HG22  VAL  63          HG22      VAL  63  -0.001  -6.439  -0.998
  464   HG23  VAL  63          HG23      VAL  63  -0.711  -5.826   0.489
  465    H    LYS  64           HN       LYS  64  -0.688 -10.585  -1.825
  466    HA   LYS  64           HA       LYS  64   1.741  -9.544  -2.644
  467    HB2  LYS  64           HB2      LYS  64   2.460 -11.898  -3.133
  468    HB3  LYS  64           HB1      LYS  64   1.890 -11.570  -1.517
  469    HG2  LYS  64           HG2      LYS  64  -0.263 -12.631  -2.115
  470    HG3  LYS  64           HG1      LYS  64   0.422 -13.028  -3.701
  471    HD2  LYS  64           HD2      LYS  64   2.161 -14.342  -2.690
  472    HD3  LYS  64           HD1      LYS  64   1.671 -13.833  -1.079
  473    HE2  LYS  64           HE2      LYS  64   0.919 -16.089  -1.488
  474    HE3  LYS  64           HE1      LYS  64  -0.466 -15.014  -1.383
  475    HZ1  LYS  64           HZ1      LYS  64  -0.740 -15.125  -3.761
  476    HZ2  LYS  64           HZ2      LYS  64  -0.559 -16.685  -3.181
  477    HZ3  LYS  64           HZ3      LYS  64   0.737 -15.912  -3.942
  478    H    ASN  65           HN       ASN  65  -0.912  -9.589  -4.399
  479    HA   ASN  65           HA       ASN  65   0.178 -10.367  -6.993
  480    HB2  ASN  65           HB2      ASN  65  -2.558  -9.450  -6.138
  481    HB3  ASN  65           HB1      ASN  65  -2.109  -9.725  -7.811
  482   HD21  ASN  65          HD21      ASN  65  -2.896 -11.145  -4.798
  483   HD22  ASN  65          HD22      ASN  65  -3.051 -12.770  -5.348
  484    H    LEU  66           HN       LEU  66   0.469  -7.631  -5.165
  485    HA   LEU  66           HA       LEU  66  -0.196  -5.842  -7.384
  486    HB2  LEU  66           HB2      LEU  66   0.389  -5.100  -4.524
  487    HB3  LEU  66           HB1      LEU  66  -0.274  -4.061  -5.768
  488    HG   LEU  66           HG       LEU  66  -1.655  -6.419  -4.484
  489   HD11  LEU  66          HD11      LEU  66  -3.199  -4.745  -3.633
  490   HD12  LEU  66          HD12      LEU  66  -2.184  -3.474  -4.324
  491   HD13  LEU  66          HD13      LEU  66  -1.556  -4.515  -3.042
  492   HD21  LEU  66          HD21      LEU  66  -2.765  -4.519  -6.545
  493   HD22  LEU  66          HD22      LEU  66  -3.610  -5.862  -5.771
  494   HD23  LEU  66          HD23      LEU  66  -2.266  -6.182  -6.870
  495    H    LYS  67           HN       LYS  67   1.266  -4.278  -8.133
  496    HA   LYS  67           HA       LYS  67   4.083  -4.847  -7.450
  497    HB2  LYS  67           HB2      LYS  67   4.706  -4.149  -9.673
  498    HB3  LYS  67           HB1      LYS  67   3.364  -5.275  -9.829
  499    HG2  LYS  67           HG2      LYS  67   1.839  -3.294 -10.027
  500    HG3  LYS  67           HG1      LYS  67   3.268  -2.276 -10.062
  501    HD2  LYS  67           HD2      LYS  67   2.431  -2.586 -12.193
  502    HD3  LYS  67           HD1      LYS  67   3.987  -3.437 -12.120
  503    HE2  LYS  67           HE2      LYS  67   2.396  -4.865 -13.296
  504    HE3  LYS  67           HE1      LYS  67   2.718  -5.574 -11.719
  505    HZ1  LYS  67           HZ1      LYS  67   0.601  -4.510 -10.937
  506    HZ2  LYS  67           HZ2      LYS  67   0.353  -5.636 -12.167
  507    HZ3  LYS  67           HZ3      LYS  67   0.329  -3.995 -12.512
  508    H    THR  68           HN       THR  68   1.745  -2.201  -7.978
  509    HA   THR  68           HA       THR  68   3.673  -0.306  -6.825
  510    HB   THR  68           HB       THR  68   2.825   1.412  -8.415
  511    HG1  THR  68           HG1      THR  68   1.781   0.464 -10.363
  512   HG21  THR  68          HG21      THR  68   4.939   0.261  -8.953
  513   HG22  THR  68          HG22      THR  68   4.045   0.663 -10.418
  514   HG23  THR  68          HG23      THR  68   4.034  -0.992  -9.803
  515    H    VAL  69           HN       VAL  69   2.294   1.886  -6.530
  516    HA   VAL  69           HA       VAL  69   0.001   1.047  -5.083
  517    HB   VAL  69           HB       VAL  69  -0.312   3.187  -4.211
  518   HG11  VAL  69          HG11      VAL  69   1.825   3.896  -3.329
  519   HG12  VAL  69          HG12      VAL  69   2.628   2.790  -4.460
  520   HG13  VAL  69          HG13      VAL  69   1.526   2.164  -3.226
  521   HG21  VAL  69          HG21      VAL  69  -0.265   4.480  -6.191
  522   HG22  VAL  69          HG22      VAL  69   1.489   4.316  -6.308
  523   HG23  VAL  69          HG23      VAL  69   0.767   5.214  -4.970
  524    H    GLY  70           HN       GLY  70   0.633   1.783  -8.293
  525    HA2  GLY  70           HA2      GLY  70  -1.783   3.068  -9.028
  526    HA3  GLY  70           HA1      GLY  70  -0.756   2.079 -10.078
  527    H    ASP  71           HN       ASP  71  -0.658  -0.234  -8.909
  528    HA   ASP  71           HA       ASP  71  -3.070  -1.591  -9.383
  529    HB2  ASP  71           HB2      ASP  71  -0.670  -2.317  -7.718
  530    HB3  ASP  71           HB1      ASP  71  -2.019  -3.405  -7.879
  531    H    ALA  72           HN       ALA  72  -1.458  -0.737  -6.378
  532    HA   ALA  72           HA       ALA  72  -3.288  -1.684  -4.583
  533    HB1  ALA  72           HB1      ALA  72  -2.252  -0.295  -2.913
  534    HB2  ALA  72           HB2      ALA  72  -1.574   0.749  -4.156
  535    HB3  ALA  72           HB3      ALA  72  -1.017  -0.916  -4.008
  536    H    THR  73           HN       THR  73  -3.307   1.540  -6.081
  537    HA   THR  73           HA       THR  73  -5.242   2.706  -4.511
  538    HB   THR  73           HB       THR  73  -4.748   3.121  -7.478
  539    HG1  THR  73           HG1      THR  73  -2.951   3.585  -6.141
  540   HG21  THR  73          HG21      THR  73  -6.942   4.009  -6.831
  541   HG22  THR  73          HG22      THR  73  -5.809   5.321  -7.163
  542   HG23  THR  73          HG23      THR  73  -6.200   4.892  -5.498
  543    H    LYS  74           HN       LYS  74  -5.821   1.164  -7.698
  544    HA   LYS  74           HA       LYS  74  -8.640   1.271  -7.483
  545    HB2  LYS  74           HB2      LYS  74  -6.743  -0.094  -9.338
  546    HB3  LYS  74           HB1      LYS  74  -8.417  -0.619  -9.330
  547    HG2  LYS  74           HG2      LYS  74  -8.036   1.003 -11.064
  548    HG3  LYS  74           HG1      LYS  74  -9.145   1.623  -9.845
  549    HD2  LYS  74           HD2      LYS  74  -7.676   3.415 -10.440
  550    HD3  LYS  74           HD1      LYS  74  -7.184   2.855  -8.843
  551    HE2  LYS  74           HE2      LYS  74  -5.246   3.282 -10.244
  552    HE3  LYS  74           HE1      LYS  74  -5.367   1.569  -9.862
  553    HZ1  LYS  74           HZ1      LYS  74  -4.796   2.073 -12.187
  554    HZ2  LYS  74           HZ2      LYS  74  -6.335   2.763 -12.401
  555    HZ3  LYS  74           HZ3      LYS  74  -6.159   1.105 -12.015
  556    H    TYR  75           HN       TYR  75  -6.307  -1.033  -6.561
  557    HA   TYR  75           HA       TYR  75  -7.970  -3.233  -6.136
  558    HB2  TYR  75           HB2      TYR  75  -5.578  -3.457  -6.371
  559    HB3  TYR  75           HB1      TYR  75  -5.315  -2.440  -4.961
  560    HD1  TYR  75           HD1      TYR  75  -6.511  -5.702  -6.109
  561    HD2  TYR  75           HD2      TYR  75  -5.349  -3.336  -2.794
  562    HE1  TYR  75           HE1      TYR  75  -6.458  -7.698  -4.728
  563    HE2  TYR  75           HE2      TYR  75  -5.293  -5.332  -1.386
  564    HH   TYR  75           HH       TYR  75  -5.968  -7.476  -1.281
  565    H    ILE  76           HN       ILE  76  -6.605  -0.814  -3.933
  566    HA   ILE  76           HA       ILE  76  -7.904  -1.710  -1.612
  567    HB   ILE  76           HB       ILE  76  -6.564   0.920  -2.302
  568   HG12  ILE  76          HG12      ILE  76  -5.712  -1.345  -0.488
  569   HG13  ILE  76          HG11      ILE  76  -5.148  -1.105  -2.136
  570   HG21  ILE  76          HG21      ILE  76  -7.607   0.084   0.403
  571   HG22  ILE  76          HG22      ILE  76  -8.266   1.356  -0.618
  572   HG23  ILE  76          HG23      ILE  76  -6.642   1.527   0.060
  573   HD11  ILE  76          HD11      ILE  76  -3.515  -0.342  -0.514
  574   HD12  ILE  76          HD12      ILE  76  -4.702   0.772   0.179
  575   HD13  ILE  76          HD13      ILE  76  -4.126   1.004  -1.474
  576    H    LEU  77           HN       LEU  77  -8.757   0.648  -4.082
  577    HA   LEU  77           HA       LEU  77 -10.927   1.729  -2.787
  578    HB2  LEU  77           HB2      LEU  77 -10.472   1.323  -5.740
  579    HB3  LEU  77           HB1      LEU  77 -11.877   2.169  -5.125
  580    HG   LEU  77           HG       LEU  77  -9.005   3.017  -4.710
  581   HD11  LEU  77          HD11      LEU  77  -9.725   3.306  -7.021
  582   HD12  LEU  77          HD12      LEU  77  -9.543   4.863  -6.213
  583   HD13  LEU  77          HD13      LEU  77 -11.151   4.187  -6.475
  584   HD21  LEU  77          HD21      LEU  77 -10.445   3.652  -2.847
  585   HD22  LEU  77          HD22      LEU  77 -11.593   4.382  -3.968
  586   HD23  LEU  77          HD23      LEU  77  -9.976   5.064  -3.790
  587    H    ASP  78           HN       ASP  78 -10.735  -1.141  -4.842
  588    HA   ASP  78           HA       ASP  78 -13.499  -1.802  -4.651
  589    HB2  ASP  78           HB2      ASP  78 -12.175  -2.700  -6.488
  590    HB3  ASP  78           HB1      ASP  78 -11.127  -3.544  -5.355
  591    H    HIS  79           HN       HIS  79 -10.649  -2.755  -2.897
  592    HA   HIS  79           HA       HIS  79 -11.896  -4.782  -1.319
  593    HB2  HIS  79           HB2      HIS  79  -9.210  -3.605  -1.435
  594    HB3  HIS  79           HB1      HIS  79  -9.684  -4.371   0.080
  595    HD1  HIS  79           HD1      HIS  79  -9.334  -6.785   0.189
  596    HD2  HIS  79           HD2      HIS  79  -9.617  -5.460  -3.734
  597    HE1  HIS  79           HE1      HIS  79  -8.854  -8.805  -1.244
  598    HE2  HIS  79           HE2      HIS  79  -8.897  -7.941  -3.613
  599    H    GLN  80           HN       GLN  80 -12.557  -1.562  -0.963
  600    HA   GLN  80           HA       GLN  80 -12.790  -1.932   1.914
  601    HB2  GLN  80           HB2      GLN  80 -12.548   0.398   2.188
  602    HB3  GLN  80           HB1      GLN  80 -11.123  -0.254   1.385
  603    HG2  GLN  80           HG2      GLN  80 -12.035   0.593  -0.748
  604    HG3  GLN  80           HG1      GLN  80 -13.377   1.310   0.149
  605   HE21  GLN  80          HE21      GLN  80 -10.054   1.429  -0.541
  606   HE22  GLN  80          HE22      GLN  80  -9.747   2.988   0.165
  607    H    ALA  81           HN       ALA  81 -14.471  -0.358   2.793
  608    HA   ALA  81           HA       ALA  81 -16.664   0.161   0.990
  609    HB1  ALA  81           HB1      ALA  81 -16.903  -1.333   3.620
  610    HB2  ALA  81           HB2      ALA  81 -17.188  -2.014   2.019
  611    HB3  ALA  81           HB3      ALA  81 -18.259  -0.764   2.648
  612    H2   SOO 101           H2A      SOO 101   4.181  -4.333  -2.233
  613    H3   SOO 101           H3A      SOO 101   1.370  -5.524  -2.629
  614    H4   SOO 101           H4A      SOO 101   2.007  -3.511  -0.686
  615    H4A  SOO 101           H4B      SOO 101   2.190  -2.669  -2.229
  616    H5   SOO 101           H5A      SOO 101  -0.269  -4.192  -1.394
  617    H5A  SOO 101           H5B      SOO 101  -0.071  -3.210  -2.841
  618    H6   SOO 101           H6A      SOO 101  -1.353  -1.982  -1.223
  619    H6A  SOO 101           H6B      SOO 101   0.222  -1.214  -1.437
  620    H7   SOO 101           H7A      SOO 101   1.030  -2.174   0.623
  621    H7A  SOO 101           H7B      SOO 101  -0.471  -3.099   0.821
  622    H8   SOO 101           H8C      SOO 101  -0.470  -1.069   2.194
  623    H8A  SOO 101           H8A      SOO 101  -1.716  -1.000   0.948
  624    H8B  SOO 101           H8B      SOO 101  -0.221  -0.094   0.743
  625    H28  SOO 101          H28A      SOO 101  10.568 -11.646   3.055
  626   H28A  SOO 101          H28B      SOO 101   9.643 -10.274   2.452
  627    H30  SOO 101          H30A      SOO 101   8.431 -10.448   0.305
  628   H30A  SOO 101          H30B      SOO 101   8.385 -11.979  -0.568
  629   H30B  SOO 101          H30C      SOO 101   9.885 -11.051  -0.493
  630    H31  SOO 101          H31A      SOO 101  11.096 -13.043   0.436
  631   H31A  SOO 101          H31B      SOO 101   9.617 -14.004   0.394
  632   H31B  SOO 101          H31C      SOO 101  10.504 -13.818   1.906
  633    H32  SOO 101          H32A      SOO 101   8.351 -13.121   2.982
  634   HO33  SOO 101          H33A      SOO 101   7.245 -11.565   3.658
  635   HN36  SOO 101          H36A      SOO 101   5.958 -12.023   2.139
  636    H37  SOO 101          H37A      SOO 101   4.901 -13.939   0.096
  637   H37A  SOO 101          H37B      SOO 101   4.086 -13.727   1.638
  638    H38  SOO 101          H38A      SOO 101   2.912 -12.445   0.042
  639   H38A  SOO 101          H38B      SOO 101   3.765 -11.310   1.110
  640   HN41  SOO 101          H41A      SOO 101   3.807  -9.674  -0.299
  641    H42  SOO 101          H42A      SOO 101   5.470  -9.856  -2.724
  642   H42A  SOO 101          H42B      SOO 101   3.918  -9.039  -2.684
  643    H43  SOO 101          H43A      SOO 101   6.368  -8.176  -1.151
  644   H43A  SOO 101          H43B      SOO 101   4.737  -7.636  -0.837
  Start of MODEL   17
    1    H1   ALA   1           HT1      ALA   1 -16.327   5.671   2.038
    2    H2   ALA   1           HT2      ALA   1 -15.676   7.167   1.554
    3    H3   ALA   1           HT3      ALA   1 -14.902   6.249   2.739
    4    HA   ALA   1           HA       ALA   1 -14.372   4.556   1.177
    5    HB1  ALA   1           HB1      ALA   1 -16.323   4.827  -0.280
    6    HB2  ALA   1           HB2      ALA   1 -14.822   4.915  -1.203
    7    HB3  ALA   1           HB3      ALA   1 -15.708   6.391  -0.817
    8    H    ALA   2           HN       ALA   2 -12.256   4.757   0.911
    9    HA   ALA   2           HA       ALA   2 -11.059   7.386   0.957
   10    HB1  ALA   2           HB1      ALA   2  -8.936   6.209   1.069
   11    HB2  ALA   2           HB2      ALA   2  -9.752   4.669   0.782
   12    HB3  ALA   2           HB3      ALA   2 -10.061   5.573   2.269
   13    H    THR   3           HN       THR   3 -10.532   8.501  -0.765
   14    HA   THR   3           HA       THR   3 -10.883   7.412  -3.388
   15    HB   THR   3           HB       THR   3 -10.302   9.723  -4.100
   16    HG1  THR   3           HG1      THR   3 -10.335  11.109  -1.913
   17   HG21  THR   3          HG21      THR   3 -12.298   9.561  -1.843
   18   HG22  THR   3          HG22      THR   3 -12.632   9.148  -3.531
   19   HG23  THR   3          HG23      THR   3 -12.256  10.816  -3.080
   20    H    GLN   4           HN       GLN   4  -9.043   8.436  -5.012
   21    HA   GLN   4           HA       GLN   4  -6.711   6.961  -4.565
   22    HB2  GLN   4           HB2      GLN   4  -7.511   7.367  -6.810
   23    HB3  GLN   4           HB1      GLN   4  -7.478   9.097  -6.569
   24    HG2  GLN   4           HG2      GLN   4  -4.897   7.655  -6.360
   25    HG3  GLN   4           HG1      GLN   4  -5.635   7.763  -7.957
   26   HE21  GLN   4          HE21      GLN   4  -4.147   9.538  -5.359
   27   HE22  GLN   4          HE22      GLN   4  -3.955  11.024  -6.191
   28    H    GLU   5           HN       GLU   5  -7.596  10.303  -4.109
   29    HA   GLU   5           HA       GLU   5  -5.078  11.377  -3.447
   30    HB2  GLU   5           HB2      GLU   5  -7.164  12.673  -3.956
   31    HB3  GLU   5           HB1      GLU   5  -7.801  12.191  -2.395
   32    HG2  GLU   5           HG2      GLU   5  -6.972  14.431  -2.252
   33    HG3  GLU   5           HG1      GLU   5  -5.925  13.375  -1.306
   34    H    GLU   6           HN       GLU   6  -7.456   9.590  -1.607
   35    HA   GLU   6           HA       GLU   6  -6.091  10.033   0.868
   36    HB2  GLU   6           HB2      GLU   6  -8.519   8.456   0.128
   37    HB3  GLU   6           HB1      GLU   6  -7.802   8.362   1.732
   38    HG2  GLU   6           HG2      GLU   6  -8.758  10.884   0.405
   39    HG3  GLU   6           HG1      GLU   6  -9.653   9.959   1.614
   40    H    ILE   7           HN       ILE   7  -6.252   7.544  -1.524
   41    HA   ILE   7           HA       ILE   7  -4.986   5.555   0.063
   42    HB   ILE   7           HB       ILE   7  -5.402   5.766  -2.936
   43   HG12  ILE   7          HG12      ILE   7  -6.700   4.009  -0.840
   44   HG13  ILE   7          HG11      ILE   7  -7.392   5.501  -1.464
   45   HG21  ILE   7          HG21      ILE   7  -4.323   3.417  -1.359
   46   HG22  ILE   7          HG22      ILE   7  -3.404   4.400  -2.500
   47   HG23  ILE   7          HG23      ILE   7  -4.741   3.401  -3.073
   48   HD11  ILE   7          HD11      ILE   7  -7.526   4.502  -3.684
   49   HD12  ILE   7          HD12      ILE   7  -8.399   3.548  -2.485
   50   HD13  ILE   7          HD13      ILE   7  -6.819   3.013  -3.056
   51    H    VAL   8           HN       VAL   8  -3.782   7.495  -2.647
   52    HA   VAL   8           HA       VAL   8  -1.117   6.648  -2.550
   53    HB   VAL   8           HB       VAL   8  -2.294   9.268  -3.536
   54   HG11  VAL   8          HG11      VAL   8   0.359   7.998  -4.213
   55   HG12  VAL   8          HG12      VAL   8   0.125   9.467  -3.263
   56   HG13  VAL   8          HG13      VAL   8  -0.325   9.438  -4.969
   57   HG21  VAL   8          HG21      VAL   8  -2.272   8.175  -5.727
   58   HG22  VAL   8          HG22      VAL   8  -3.294   7.328  -4.568
   59   HG23  VAL   8          HG23      VAL   8  -1.704   6.685  -4.969
   60    H    ALA   9           HN       ALA   9  -2.352   9.823  -1.431
   61    HA   ALA   9           HA       ALA   9  -0.054  10.506   0.033
   62    HB1  ALA   9           HB1      ALA   9  -2.872  11.476   0.454
   63    HB2  ALA   9           HB2      ALA   9  -1.721  12.143  -0.707
   64    HB3  ALA   9           HB3      ALA   9  -1.404  12.269   1.025
   65    H    GLY  10           HN       GLY  10  -2.762   8.508   0.903
   66    HA2  GLY  10           HA2      GLY  10  -2.387   8.698   3.739
   67    HA3  GLY  10           HA1      GLY  10  -3.397   7.534   2.893
   68    H    LEU  11           HN       LEU  11  -1.611   6.234   1.292
   69    HA   LEU  11           HA       LEU  11  -0.495   4.264   2.830
   70    HB2  LEU  11           HB2      LEU  11  -0.502   5.084   0.097
   71    HB3  LEU  11           HB1      LEU  11   1.083   4.472   0.496
   72    HG   LEU  11           HG       LEU  11  -1.559   3.004   0.823
   73   HD11  LEU  11          HD11      LEU  11   0.688   2.588  -1.128
   74   HD12  LEU  11          HD12      LEU  11  -0.908   3.244  -1.494
   75   HD13  LEU  11          HD13      LEU  11  -0.741   1.570  -0.960
   76   HD21  LEU  11          HD21      LEU  11   1.260   2.044   1.306
   77   HD22  LEU  11          HD22      LEU  11  -0.196   1.053   1.387
   78   HD23  LEU  11          HD23      LEU  11   0.050   2.361   2.545
   79    H    ALA  12           HN       ALA  12   1.054   7.083   1.473
   80    HA   ALA  12           HA       ALA  12   3.684   6.487   2.118
   81    HB1  ALA  12           HB1      ALA  12   4.145   8.805   1.811
   82    HB2  ALA  12           HB2      ALA  12   2.424   9.199   1.947
   83    HB3  ALA  12           HB3      ALA  12   3.015   8.228   0.587
   84    H    GLU  13           HN       GLU  13   1.190   7.915   4.125
   85    HA   GLU  13           HA       GLU  13   2.886   8.831   6.181
   86    HB2  GLU  13           HB2      GLU  13  -0.028   8.065   6.200
   87    HB3  GLU  13           HB1      GLU  13   0.798   8.848   7.539
   88    HG2  GLU  13           HG2      GLU  13   0.540  10.004   4.772
   89    HG3  GLU  13           HG1      GLU  13  -0.515  10.393   6.128
   90    H    ILE  14           HN       ILE  14   1.304   5.759   5.557
   91    HA   ILE  14           HA       ILE  14   2.256   4.717   8.090
   92    HB   ILE  14           HB       ILE  14   0.662   3.302   5.902
   93   HG12  ILE  14          HG12      ILE  14  -1.118   3.169   7.710
   94   HG13  ILE  14          HG11      ILE  14  -0.137   4.263   8.666
   95   HG21  ILE  14          HG21      ILE  14   1.481   2.242   8.605
   96   HG22  ILE  14          HG22      ILE  14   2.132   1.723   7.058
   97   HG23  ILE  14          HG23      ILE  14   0.438   1.418   7.447
   98   HD11  ILE  14          HD11      ILE  14  -0.414   5.982   6.955
   99   HD12  ILE  14          HD12      ILE  14  -1.968   5.413   7.574
  100   HD13  ILE  14          HD13      ILE  14  -1.389   4.865   6.001
  101    H    VAL  15           HN       VAL  15   3.034   4.536   4.708
  102    HA   VAL  15           HA       VAL  15   4.965   2.528   4.780
  103    HB   VAL  15           HB       VAL  15   4.740   4.968   2.982
  104   HG11  VAL  15          HG11      VAL  15   7.085   4.325   3.079
  105   HG12  VAL  15          HG12      VAL  15   6.396   3.913   1.508
  106   HG13  VAL  15          HG13      VAL  15   6.663   2.650   2.719
  107   HG21  VAL  15          HG21      VAL  15   4.047   3.315   1.306
  108   HG22  VAL  15          HG22      VAL  15   2.996   3.286   2.720
  109   HG23  VAL  15          HG23      VAL  15   4.216   2.033   2.503
  110    H    ASN  16           HN       ASN  16   5.117   5.900   5.607
  111    HA   ASN  16           HA       ASN  16   7.903   6.104   5.983
  112    HB2  ASN  16           HB2      ASN  16   6.232   7.981   5.736
  113    HB3  ASN  16           HB1      ASN  16   5.795   7.699   7.418
  114   HD21  ASN  16          HD21      ASN  16   8.264   8.681   5.251
  115   HD22  ASN  16          HD22      ASN  16   9.242   9.543   6.367
  116    H    GLU  17           HN       GLU  17   5.400   4.761   7.895
  117    HA   GLU  17           HA       GLU  17   6.817   4.840  10.407
  118    HB2  GLU  17           HB2      GLU  17   4.397   3.272   9.531
  119    HB3  GLU  17           HB1      GLU  17   4.987   3.407  11.181
  120    HG2  GLU  17           HG2      GLU  17   4.092   5.667   9.479
  121    HG3  GLU  17           HG1      GLU  17   3.065   4.861  10.677
  122    H    ILE  18           HN       ILE  18   5.766   2.389   8.149
  123    HA   ILE  18           HA       ILE  18   7.048   0.218   9.442
  124    HB   ILE  18           HB       ILE  18   5.995   0.411   6.613
  125   HG12  ILE  18          HG12      ILE  18   4.249   0.995   8.189
  126   HG13  ILE  18          HG11      ILE  18   3.938  -0.606   7.539
  127   HG21  ILE  18          HG21      ILE  18   5.758  -2.031   6.732
  128   HG22  ILE  18          HG22      ILE  18   6.532  -2.021   8.317
  129   HG23  ILE  18          HG23      ILE  18   7.440  -1.522   6.890
  130   HD11  ILE  18          HD11      ILE  18   4.773  -1.608   9.604
  131   HD12  ILE  18          HD12      ILE  18   3.441  -0.490   9.909
  132   HD13  ILE  18          HD13      ILE  18   5.100   0.004  10.250
  133    H    ALA  19           HN       ALA  19   7.816   1.982   6.446
  134    HA   ALA  19           HA       ALA  19  10.383   0.543   6.396
  135    HB1  ALA  19           HB1      ALA  19   9.000   1.954   4.130
  136    HB2  ALA  19           HB2      ALA  19   8.940   0.223   4.456
  137    HB3  ALA  19           HB3      ALA  19  10.474   0.987   4.030
  138    H    GLY  20           HN       GLY  20   8.978   3.666   6.667
  139    HA2  GLY  20           HA2      GLY  20  10.045   5.627   7.365
  140    HA3  GLY  20           HA1      GLY  20  11.594   4.809   7.187
  141    H    ILE  21           HN       ILE  21   9.238   4.835   4.681
  142    HA   ILE  21           HA       ILE  21  11.107   6.162   2.894
  143    HB   ILE  21           HB       ILE  21   8.433   4.818   2.377
  144   HG12  ILE  21          HG12      ILE  21  10.025   3.187   3.082
  145   HG13  ILE  21          HG11      ILE  21   9.813   3.016   1.345
  146   HG21  ILE  21          HG21      ILE  21   8.830   6.464   0.648
  147   HG22  ILE  21          HG22      ILE  21   8.992   4.833  -0.004
  148   HG23  ILE  21          HG23      ILE  21  10.432   5.789   0.343
  149   HD11  ILE  21          HD11      ILE  21  11.908   4.220   0.979
  150   HD12  ILE  21          HD12      ILE  21  12.141   2.784   1.977
  151   HD13  ILE  21          HD13      ILE  21  12.111   4.382   2.724
  152    HA   PRO  22           HA       PRO  22   9.534  10.251   3.206
  153    HB2  PRO  22           HB2      PRO  22   9.516  10.595   0.358
  154    HB3  PRO  22           HB1      PRO  22  10.693  11.201   1.525
  155    HG2  PRO  22           HG2      PRO  22  10.811   8.821  -0.204
  156    HG3  PRO  22           HG1      PRO  22  12.130   9.740   0.537
  157    HD2  PRO  22           HD2      PRO  22  11.410   7.278   1.369
  158    HD3  PRO  22           HD1      PRO  22  12.048   8.483   2.497
  159    H    VAL  23           HN       VAL  23   7.628  10.969   3.435
  160    HA   VAL  23           HA       VAL  23   5.252   9.569   2.704
  161    HB   VAL  23           HB       VAL  23   4.092  11.460   3.825
  162   HG11  VAL  23          HG11      VAL  23   5.071  11.112   6.023
  163   HG12  VAL  23          HG12      VAL  23   6.510  10.415   5.276
  164   HG13  VAL  23          HG13      VAL  23   4.955   9.592   5.133
  165   HG21  VAL  23          HG21      VAL  23   6.879  12.524   3.985
  166   HG22  VAL  23          HG22      VAL  23   5.470  13.267   4.783
  167   HG23  VAL  23          HG23      VAL  23   5.587  13.183   3.008
  168    H    GLU  24           HN       GLU  24   6.877  10.948   0.568
  169    HA   GLU  24           HA       GLU  24   4.661  12.297  -0.833
  170    HB2  GLU  24           HB2      GLU  24   6.313  13.887  -1.720
  171    HB3  GLU  24           HB1      GLU  24   6.176  13.993   0.031
  172    HG2  GLU  24           HG2      GLU  24   8.209  12.665   0.284
  173    HG3  GLU  24           HG1      GLU  24   8.344  12.529  -1.467
  174    H    ASP  25           HN       ASP  25   6.756   9.748  -0.735
  175    HA   ASP  25           HA       ASP  25   7.528   9.901  -3.543
  176    HB2  ASP  25           HB2      ASP  25   9.310   9.780  -1.919
  177    HB3  ASP  25           HB1      ASP  25   8.642   8.329  -1.234
  178    H    VAL  26           HN       VAL  26   5.188   8.463  -1.649
  179    HA   VAL  26           HA       VAL  26   5.218   5.932  -3.042
  180    HB   VAL  26           HB       VAL  26   3.355   6.996  -0.872
  181   HG11  VAL  26          HG11      VAL  26   2.322   5.229  -2.198
  182   HG12  VAL  26          HG12      VAL  26   2.678   4.668  -0.565
  183   HG13  VAL  26          HG13      VAL  26   3.715   4.187  -1.911
  184   HG21  VAL  26          HG21      VAL  26   5.714   5.135  -0.639
  185   HG22  VAL  26          HG22      VAL  26   4.601   5.554   0.666
  186   HG23  VAL  26          HG23      VAL  26   5.630   6.796  -0.048
  187    H    LYS  27           HN       LYS  27   4.966   7.107  -4.976
  188    HA   LYS  27           HA       LYS  27   2.386   8.396  -5.447
  189    HB2  LYS  27           HB2      LYS  27   4.869   8.343  -7.167
  190    HB3  LYS  27           HB1      LYS  27   3.394   9.264  -7.427
  191    HG2  LYS  27           HG2      LYS  27   3.808  10.582  -5.457
  192    HG3  LYS  27           HG1      LYS  27   5.271   9.649  -5.123
  193    HD2  LYS  27           HD2      LYS  27   6.248  10.391  -7.225
  194    HD3  LYS  27           HD1      LYS  27   4.772  11.274  -7.614
  195    HE2  LYS  27           HE2      LYS  27   6.599  11.824  -5.278
  196    HE3  LYS  27           HE1      LYS  27   6.527  12.756  -6.773
  197    HZ1  LYS  27           HZ1      LYS  27   4.330  12.466  -4.775
  198    HZ2  LYS  27           HZ2      LYS  27   4.214  13.298  -6.247
  199    HZ3  LYS  27           HZ3      LYS  27   5.280  13.840  -5.052
  200    H    LEU  28           HN       LEU  28   1.336   7.940  -7.542
  201    HA   LEU  28           HA       LEU  28   0.493   5.357  -7.709
  202    HB2  LEU  28           HB2      LEU  28   0.293   7.582  -9.695
  203    HB3  LEU  28           HB1      LEU  28  -0.418   6.013 -10.008
  204    HG   LEU  28           HG       LEU  28  -1.105   7.718  -7.604
  205   HD11  LEU  28          HD11      LEU  28  -2.627   7.304 -10.176
  206   HD12  LEU  28          HD12      LEU  28  -1.845   8.807  -9.672
  207   HD13  LEU  28          HD13      LEU  28  -3.211   8.164  -8.753
  208   HD21  LEU  28          HD21      LEU  28  -2.376   5.261  -8.777
  209   HD22  LEU  28          HD22      LEU  28  -2.969   6.179  -7.392
  210   HD23  LEU  28          HD23      LEU  28  -1.427   5.331  -7.294
  211    H    ASP  29           HN       ASP  29   3.126   6.679  -9.669
  212    HA   ASP  29           HA       ASP  29   3.199   4.136 -11.142
  213    HB2  ASP  29           HB2      ASP  29   3.243   6.444 -12.280
  214    HB3  ASP  29           HB1      ASP  29   4.886   6.591 -11.682
  215    H    LYS  30           HN       LYS  30   4.069   4.347  -8.323
  216    HA   LYS  30           HA       LYS  30   6.928   3.684  -8.554
  217    HB2  LYS  30           HB2      LYS  30   5.303   4.658  -6.189
  218    HB3  LYS  30           HB1      LYS  30   6.977   4.149  -6.097
  219    HG2  LYS  30           HG2      LYS  30   6.229   6.356  -7.961
  220    HG3  LYS  30           HG1      LYS  30   6.320   6.681  -6.233
  221    HD2  LYS  30           HD2      LYS  30   8.553   5.572  -7.954
  222    HD3  LYS  30           HD1      LYS  30   8.430   7.233  -7.362
  223    HE2  LYS  30           HE2      LYS  30   8.337   6.207  -5.019
  224    HE3  LYS  30           HE1      LYS  30   8.856   4.709  -5.777
  225    HZ1  LYS  30           HZ1      LYS  30  10.775   5.786  -4.954
  226    HZ2  LYS  30           HZ2      LYS  30  10.277   7.242  -5.470
  227    HZ3  LYS  30           HZ3      LYS  30  10.851   6.118  -6.625
  228    H    SER  31           HN       SER  31   7.426   1.607  -8.135
  229    HA   SER  31           HA       SER  31   5.360  -0.273  -7.415
  230    HB2  SER  31           HB2      SER  31   8.309  -0.764  -7.812
  231    HB3  SER  31           HB1      SER  31   6.988  -1.923  -7.986
  232    HG   SER  31           HG       SER  31   7.651   0.280  -9.597
  233    H    PHE  32           HN       PHE  32   5.195  -1.290  -5.485
  234    HA   PHE  32           HA       PHE  32   6.148  -0.160  -3.120
  235    HB2  PHE  32           HB2      PHE  32   5.128  -2.957  -3.566
  236    HB3  PHE  32           HB1      PHE  32   5.522  -2.314  -1.985
  237    HD1  PHE  32           HD1      PHE  32   4.352   0.000  -1.478
  238    HD2  PHE  32           HD2      PHE  32   2.975  -2.927  -4.218
  239    HE1  PHE  32           HE1      PHE  32   2.069   0.859  -1.229
  240    HE2  PHE  32           HE2      PHE  32   0.685  -2.072  -3.995
  241    HZ   PHE  32           HZ       PHE  32   0.227  -0.178  -2.492
  242    H    THR  33           HN       THR  33   7.058  -3.509  -3.922
  243    HA   THR  33           HA       THR  33   9.465  -3.028  -2.410
  244    HB   THR  33           HB       THR  33   9.809  -5.538  -2.693
  245    HG1  THR  33           HG1      THR  33   8.088  -6.724  -3.437
  246   HG21  THR  33          HG21      THR  33   7.217  -4.615  -1.433
  247   HG22  THR  33          HG22      THR  33   8.807  -4.571  -0.670
  248   HG23  THR  33          HG23      THR  33   8.062  -6.120  -1.068
  249    H    ASP  34           HN       ASP  34   9.748  -1.540  -4.445
  250    HA   ASP  34           HA       ASP  34  12.060  -2.591  -5.765
  251    HB2  ASP  34           HB2      ASP  34  10.367  -3.466  -7.310
  252    HB3  ASP  34           HB1      ASP  34   9.688  -1.855  -7.497
  253    H    ASP  35           HN       ASP  35   9.654   0.081  -6.096
  254    HA   ASP  35           HA       ASP  35  11.882   1.929  -6.520
  255    HB2  ASP  35           HB2      ASP  35   8.895   2.399  -6.674
  256    HB3  ASP  35           HB1      ASP  35  10.118   3.618  -6.974
  257    H    LEU  36           HN       LEU  36   9.395   1.119  -4.261
  258    HA   LEU  36           HA       LEU  36   9.955   3.413  -2.576
  259    HB2  LEU  36           HB2      LEU  36   8.129   1.057  -2.113
  260    HB3  LEU  36           HB1      LEU  36   8.193   2.502  -1.135
  261    HG   LEU  36           HG       LEU  36   7.270   2.330  -3.998
  262   HD11  LEU  36          HD11      LEU  36   5.081   2.873  -3.068
  263   HD12  LEU  36          HD12      LEU  36   5.760   2.816  -1.440
  264   HD13  LEU  36          HD13      LEU  36   5.701   1.354  -2.424
  265   HD21  LEU  36          HD21      LEU  36   6.619   4.664  -3.702
  266   HD22  LEU  36          HD22      LEU  36   8.358   4.418  -3.577
  267   HD23  LEU  36          HD23      LEU  36   7.398   4.674  -2.112
  268    H    ASP  37           HN       ASP  37   9.942  -0.087  -2.264
  269    HA   ASP  37           HA       ASP  37  11.026  -1.575  -1.067
  270    HB2  ASP  37           HB2      ASP  37  13.044   0.605  -0.644
  271    HB3  ASP  37           HB1      ASP  37  13.112  -0.830   0.372
  272    H    VAL  38           HN       VAL  38   9.580  -2.157   0.193
  273    HA   VAL  38           HA       VAL  38   9.302  -0.681   2.710
  274    HB   VAL  38           HB       VAL  38   7.120  -2.423   1.498
  275   HG11  VAL  38          HG11      VAL  38   5.627  -1.202   3.018
  276   HG12  VAL  38          HG12      VAL  38   7.010  -0.305   3.645
  277   HG13  VAL  38          HG13      VAL  38   6.907  -2.050   3.885
  278   HG21  VAL  38          HG21      VAL  38   7.533  -0.593  -0.068
  279   HG22  VAL  38          HG22      VAL  38   7.386   0.578   1.241
  280   HG23  VAL  38          HG23      VAL  38   5.984  -0.369   0.746
  281    H    ASP  39           HN       ASP  39  11.324  -2.304   2.581
  282    HA   ASP  39           HA       ASP  39  12.429  -3.898   3.596
  283    HB2  ASP  39           HB2      ASP  39  11.216  -3.526   5.632
  284    HB3  ASP  39           HB1      ASP  39   9.845  -4.469   5.049
  285    H    SER  40           HN       SER  40   9.315  -5.144   2.783
  286    HA   SER  40           HA       SER  40   8.672  -6.508   1.176
  287    HB2  SER  40           HB2      SER  40   9.924  -8.163  -0.020
  288    HB3  SER  40           HB1      SER  40  10.907  -6.708   0.115
  289    H    LEU  41           HN       LEU  41  10.228  -7.857   4.022
  290    HA   LEU  41           HA       LEU  41   7.973  -9.640   4.060
  291    HB2  LEU  41           HB2      LEU  41   8.918 -10.734   6.075
  292    HB3  LEU  41           HB1      LEU  41   9.953 -10.817   4.682
  293    HG   LEU  41           HG       LEU  41  11.280  -8.927   5.736
  294   HD11  LEU  41          HD11      LEU  41   9.620  -8.210   7.379
  295   HD12  LEU  41          HD12      LEU  41  11.109  -8.706   8.185
  296   HD13  LEU  41          HD13      LEU  41   9.703  -9.778   8.179
  297   HD21  LEU  41          HD21      LEU  41  12.502 -10.479   7.191
  298   HD22  LEU  41          HD22      LEU  41  12.061 -11.212   5.650
  299   HD23  LEU  41          HD23      LEU  41  11.148 -11.605   7.105
  300    H    SER  42           HN       SER  42   9.200  -6.954   5.922
  301    HA   SER  42           HA       SER  42   7.144  -6.962   7.855
  302    HB2  SER  42           HB2      SER  42   8.957  -4.685   7.051
  303    HB3  SER  42           HB1      SER  42   7.929  -4.720   8.474
  304    HG   SER  42           HG       SER  42   9.017  -6.592   9.138
  305    H    MET  43           HN       MET  43   6.998  -6.122   4.685
  306    HA   MET  43           HA       MET  43   5.397  -3.908   4.754
  307    HB2  MET  43           HB2      MET  43   4.525  -4.705   2.435
  308    HB3  MET  43           HB1      MET  43   6.204  -4.248   2.636
  309    HG2  MET  43           HG2      MET  43   5.846  -6.254   1.265
  310    HG3  MET  43           HG1      MET  43   6.908  -6.497   2.641
  311    HE1  MET  43           HE1      MET  43   2.984  -6.388   2.280
  312    HE2  MET  43           HE2      MET  43   2.639  -8.133   2.285
  313    HE3  MET  43           HE3      MET  43   3.539  -7.428   0.952
  314    H    VAL  44           HN       VAL  44   4.462  -7.111   5.555
  315    HA   VAL  44           HA       VAL  44   1.700  -6.909   5.092
  316    HB   VAL  44           HB       VAL  44   3.107  -8.429   7.331
  317   HG11  VAL  44          HG11      VAL  44   0.722  -8.152   7.811
  318   HG12  VAL  44          HG12      VAL  44   1.093  -9.829   7.410
  319   HG13  VAL  44          HG13      VAL  44   0.321  -8.786   6.215
  320   HG21  VAL  44          HG21      VAL  44   3.867  -9.092   5.116
  321   HG22  VAL  44          HG22      VAL  44   2.194  -9.340   4.610
  322   HG23  VAL  44          HG23      VAL  44   2.900 -10.370   5.855
  323    H    GLU  45           HN       GLU  45   3.732  -5.524   7.517
  324    HA   GLU  45           HA       GLU  45   1.642  -4.835   9.297
  325    HB2  GLU  45           HB2      GLU  45   4.473  -3.817   9.112
  326    HB3  GLU  45           HB1      GLU  45   3.391  -3.520  10.466
  327    HG2  GLU  45           HG2      GLU  45   3.226  -5.983  10.787
  328    HG3  GLU  45           HG1      GLU  45   4.424  -6.182   9.521
  329    H    VAL  46           HN       VAL  46   3.118  -3.278   6.518
  330    HA   VAL  46           HA       VAL  46   1.778  -0.798   7.081
  331    HB   VAL  46           HB       VAL  46   3.866  -0.700   5.673
  332   HG11  VAL  46          HG11      VAL  46   3.758  -1.303   3.344
  333   HG12  VAL  46          HG12      VAL  46   2.123  -1.950   3.681
  334   HG13  VAL  46          HG13      VAL  46   3.530  -2.659   4.478
  335   HG21  VAL  46          HG21      VAL  46   3.071   0.901   3.976
  336   HG22  VAL  46          HG22      VAL  46   2.318   1.197   5.537
  337   HG23  VAL  46          HG23      VAL  46   1.414   0.391   4.268
  338    H    VAL  47           HN       VAL  47   1.053  -3.700   5.427
  339    HA   VAL  47           HA       VAL  47  -1.289  -2.834   4.057
  340    HB   VAL  47           HB       VAL  47  -0.689  -5.592   5.189
  341   HG11  VAL  47          HG11      VAL  47  -2.521  -4.729   2.954
  342   HG12  VAL  47          HG12      VAL  47  -3.017  -5.306   4.546
  343   HG13  VAL  47          HG13      VAL  47  -2.192  -6.395   3.431
  344   HG21  VAL  47          HG21      VAL  47   1.115  -4.858   3.740
  345   HG22  VAL  47          HG22      VAL  47  -0.047  -4.453   2.477
  346   HG23  VAL  47          HG23      VAL  47   0.176  -6.134   2.966
  347    H    VAL  48           HN       VAL  48  -0.898  -4.561   7.151
  348    HA   VAL  48           HA       VAL  48  -3.547  -4.481   7.981
  349    HB   VAL  48           HB       VAL  48  -1.067  -4.384   9.741
  350   HG11  VAL  48          HG11      VAL  48  -2.470  -5.364  11.499
  351   HG12  VAL  48          HG12      VAL  48  -3.882  -5.224  10.451
  352   HG13  VAL  48          HG13      VAL  48  -3.057  -3.772  11.019
  353   HG21  VAL  48          HG21      VAL  48  -2.694  -6.727   8.763
  354   HG22  VAL  48          HG22      VAL  48  -1.349  -6.816   9.898
  355   HG23  VAL  48          HG23      VAL  48  -1.069  -6.290   8.237
  356    H    ALA  49           HN       ALA  49  -1.128  -1.952   8.226
  357    HA   ALA  49           HA       ALA  49  -2.892  -0.300   9.811
  358    HB1  ALA  49           HB1      ALA  49  -0.190   0.370   8.661
  359    HB2  ALA  49           HB2      ALA  49  -0.489  -0.268  10.278
  360    HB3  ALA  49           HB3      ALA  49  -1.091   1.331   9.833
  361    H    ALA  50           HN       ALA  50  -2.049  -0.708   6.470
  362    HA   ALA  50           HA       ALA  50  -3.144   1.738   5.547
  363    HB1  ALA  50           HB1      ALA  50  -1.654   0.400   4.137
  364    HB2  ALA  50           HB2      ALA  50  -3.216   0.631   3.347
  365    HB3  ALA  50           HB3      ALA  50  -2.836  -0.911   4.118
  366    H    GLU  51           HN       GLU  51  -4.358  -1.494   6.138
  367    HA   GLU  51           HA       GLU  51  -6.964  -1.181   5.270
  368    HB2  GLU  51           HB2      GLU  51  -6.023  -2.704   7.706
  369    HB3  GLU  51           HB1      GLU  51  -7.591  -2.884   6.940
  370    HG2  GLU  51           HG2      GLU  51  -6.439  -3.705   4.899
  371    HG3  GLU  51           HG1      GLU  51  -4.916  -3.605   5.790
  372    H    GLU  52           HN       GLU  52  -5.440  -0.496   8.297
  373    HA   GLU  52           HA       GLU  52  -7.548   0.474   9.853
  374    HB2  GLU  52           HB2      GLU  52  -5.305  -0.253  10.596
  375    HB3  GLU  52           HB1      GLU  52  -4.620   1.187   9.876
  376    HG2  GLU  52           HG2      GLU  52  -5.967   2.533  11.456
  377    HG3  GLU  52           HG1      GLU  52  -6.481   1.024  12.217
  378    H    ARG  53           HN       ARG  53  -5.549   1.967   7.419
  379    HA   ARG  53           HA       ARG  53  -6.246   4.682   8.081
  380    HB2  ARG  53           HB2      ARG  53  -4.006   4.211   7.295
  381    HB3  ARG  53           HB1      ARG  53  -4.647   3.536   5.808
  382    HG2  ARG  53           HG2      ARG  53  -3.776   5.705   5.327
  383    HG3  ARG  53           HG1      ARG  53  -5.529   5.782   5.220
  384    HD2  ARG  53           HD2      ARG  53  -3.882   6.693   7.585
  385    HD3  ARG  53           HD1      ARG  53  -4.511   7.753   6.333
  386    HE   ARG  53           HE       ARG  53  -6.713   6.468   7.325
  387   HH11  ARG  53          HH11      ARG  53  -4.172   8.547   8.686
  388   HH12  ARG  53          HH12      ARG  53  -5.125   9.104   9.969
  389   HH21  ARG  53          HH21      ARG  53  -8.005   7.186   9.158
  390   HH22  ARG  53          HH22      ARG  53  -7.320   8.301  10.259
  391    H    PHE  54           HN       PHE  54  -6.891   2.510   5.333
  392    HA   PHE  54           HA       PHE  54  -8.588   4.571   4.096
  393    HB2  PHE  54           HB2      PHE  54  -8.074   1.798   3.037
  394    HB3  PHE  54           HB1      PHE  54  -8.625   3.214   2.152
  395    HD1  PHE  54           HD1      PHE  54  -6.828   5.280   2.717
  396    HD2  PHE  54           HD2      PHE  54  -6.063   1.133   2.383
  397    HE1  PHE  54           HE1      PHE  54  -4.510   5.786   2.128
  398    HE2  PHE  54           HE2      PHE  54  -3.699   1.624   1.788
  399    HZ   PHE  54           HZ       PHE  54  -2.932   3.962   1.676
  400    H    ASP  55           HN       ASP  55  -8.937   2.117   6.259
  401    HA   ASP  55           HA       ASP  55 -10.571   0.898   7.141
  402    HB2  ASP  55           HB2      ASP  55 -11.991   3.027   6.884
  403    HB3  ASP  55           HB1      ASP  55 -12.557   2.329   5.363
  404    H    VAL  56           HN       VAL  56  -9.210   0.436   4.645
  405    HA   VAL  56           HA       VAL  56 -10.950  -1.219   3.066
  406    HB   VAL  56           HB       VAL  56  -8.960   0.106   2.120
  407   HG11  VAL  56          HG11      VAL  56  -7.352  -2.141   3.266
  408   HG12  VAL  56          HG12      VAL  56  -7.222  -0.423   3.679
  409   HG13  VAL  56          HG13      VAL  56  -6.781  -1.001   2.063
  410   HG21  VAL  56          HG21      VAL  56  -9.112  -2.816   1.430
  411   HG22  VAL  56          HG22      VAL  56  -8.355  -1.570   0.439
  412   HG23  VAL  56          HG23      VAL  56 -10.092  -1.519   0.745
  413    H    LYS  57           HN       LYS  57 -10.172  -3.488   2.664
  414    HA   LYS  57           HA       LYS  57  -9.021  -4.728   5.028
  415    HB2  LYS  57           HB2      LYS  57 -11.614  -5.675   3.719
  416    HB3  LYS  57           HB1      LYS  57 -10.643  -6.664   4.787
  417    HG2  LYS  57           HG2      LYS  57 -12.465  -5.872   6.081
  418    HG3  LYS  57           HG1      LYS  57 -11.066  -4.939   6.595
  419    HD2  LYS  57           HD2      LYS  57 -11.817  -3.066   5.191
  420    HD3  LYS  57           HD1      LYS  57 -13.213  -4.013   4.679
  421    HE2  LYS  57           HE2      LYS  57 -13.982  -4.109   7.026
  422    HE3  LYS  57           HE1      LYS  57 -12.598  -3.130   7.506
  423    HZ1  LYS  57           HZ1      LYS  57 -13.434  -1.332   6.098
  424    HZ2  LYS  57           HZ2      LYS  57 -14.629  -1.745   7.214
  425    HZ3  LYS  57           HZ3      LYS  57 -14.746  -2.257   5.628
  426    H    ILE  58           HN       ILE  58  -7.269  -5.527   4.227
  427    HA   ILE  58           HA       ILE  58  -7.415  -7.069   1.768
  428    HB   ILE  58           HB       ILE  58  -5.213  -5.013   2.227
  429   HG12  ILE  58          HG12      ILE  58  -7.450  -4.961   0.186
  430   HG13  ILE  58          HG11      ILE  58  -7.334  -3.911   1.592
  431   HG21  ILE  58          HG21      ILE  58  -4.498  -5.633  -0.034
  432   HG22  ILE  58          HG22      ILE  58  -5.832  -6.774  -0.137
  433   HG23  ILE  58          HG23      ILE  58  -4.525  -7.056   1.022
  434   HD11  ILE  58          HD11      ILE  58  -5.287  -2.944   0.702
  435   HD12  ILE  58          HD12      ILE  58  -6.631  -2.767  -0.426
  436   HD13  ILE  58          HD13      ILE  58  -5.398  -4.000  -0.706
  437    HA   PRO  59           HA       PRO  59  -5.120  -9.398   4.825
  438    HB2  PRO  59           HB2      PRO  59  -5.466 -11.682   3.077
  439    HB3  PRO  59           HB1      PRO  59  -6.221 -11.354   4.647
  440    HG2  PRO  59           HG2      PRO  59  -7.546 -11.394   2.237
  441    HG3  PRO  59           HG1      PRO  59  -8.117 -10.598   3.712
  442    HD2  PRO  59           HD2      PRO  59  -6.849  -9.436   1.296
  443    HD3  PRO  59           HD1      PRO  59  -8.062  -8.745   2.390
  444    H    ASP  60           HN       ASP  60  -3.154 -10.860   4.607
  445    HA   ASP  60           HA       ASP  60  -1.352  -9.566   2.814
  446    HB2  ASP  60           HB2      ASP  60   0.448 -10.814   3.758
  447    HB3  ASP  60           HB1      ASP  60  -0.612 -10.387   5.095
  448    H    ASP  61           HN       ASP  61  -3.304 -12.304   2.631
  449    HA   ASP  61           HA       ASP  61  -2.070 -13.831   0.635
  450    HB2  ASP  61           HB2      ASP  61  -4.122 -14.475   1.863
  451    HB3  ASP  61           HB1      ASP  61  -5.013 -13.245   0.975
  452    H    ASP  62           HN       ASP  62  -4.250 -11.088   0.398
  453    HA   ASP  62           HA       ASP  62  -4.348 -10.935  -2.427
  454    HB2  ASP  62           HB2      ASP  62  -5.097  -9.092  -0.205
  455    HB3  ASP  62           HB1      ASP  62  -5.080  -8.502  -1.860
  456    H    VAL  63           HN       VAL  63  -2.394  -9.293  -0.004
  457    HA   VAL  63           HA       VAL  63  -1.431  -7.305  -1.719
  458    HB   VAL  63           HB       VAL  63  -1.407  -7.129   0.753
  459   HG11  VAL  63          HG11      VAL  63   1.012  -8.885   0.600
  460   HG12  VAL  63          HG12      VAL  63  -0.544  -9.298   1.316
  461   HG13  VAL  63          HG13      VAL  63   0.447  -8.021   2.031
  462   HG21  VAL  63          HG21      VAL  63   0.749  -5.934   0.918
  463   HG22  VAL  63          HG22      VAL  63  -0.218  -5.515  -0.486
  464   HG23  VAL  63          HG23      VAL  63   1.179  -6.587  -0.666
  465    H    LYS  64           HN       LYS  64  -0.442 -10.562  -1.462
  466    HA   LYS  64           HA       LYS  64   2.281 -10.360  -2.211
  467    HB2  LYS  64           HB2      LYS  64   0.435 -12.667  -2.821
  468    HB3  LYS  64           HB1      LYS  64   2.185 -12.715  -2.691
  469    HG2  LYS  64           HG2      LYS  64   1.980 -12.133  -0.318
  470    HG3  LYS  64           HG1      LYS  64   0.228 -12.194  -0.487
  471    HD2  LYS  64           HD2      LYS  64   0.474 -14.574  -1.237
  472    HD3  LYS  64           HD1      LYS  64   2.185 -14.464  -0.805
  473    HE2  LYS  64           HE2      LYS  64  -0.168 -14.074   1.049
  474    HE3  LYS  64           HE1      LYS  64   0.929 -15.453   1.025
  475    HZ1  LYS  64           HZ1      LYS  64   1.315 -13.720   2.775
  476    HZ2  LYS  64           HZ2      LYS  64   1.861 -12.691   1.532
  477    HZ3  LYS  64           HZ3      LYS  64   2.669 -14.121   1.842
  478    H    ASN  65           HN       ASN  65  -0.443  -9.625  -3.969
  479    HA   ASN  65           HA       ASN  65   0.748 -10.405  -6.546
  480    HB2  ASN  65           HB2      ASN  65  -2.142  -9.808  -5.887
  481    HB3  ASN  65           HB1      ASN  65  -1.525 -10.320  -7.454
  482   HD21  ASN  65          HD21      ASN  65  -3.461 -11.545  -5.551
  483   HD22  ASN  65          HD22      ASN  65  -2.847 -13.138  -5.266
  484    H    LEU  66           HN       LEU  66   0.693  -7.802  -4.612
  485    HA   LEU  66           HA       LEU  66  -0.219  -5.831  -6.502
  486    HB2  LEU  66           HB2      LEU  66   1.013  -5.638  -3.779
  487    HB3  LEU  66           HB1      LEU  66   0.738  -4.208  -4.733
  488    HG   LEU  66           HG       LEU  66  -1.362  -6.125  -3.697
  489   HD11  LEU  66          HD11      LEU  66  -0.362  -4.608  -2.043
  490   HD12  LEU  66          HD12      LEU  66  -2.067  -4.260  -2.339
  491   HD13  LEU  66          HD13      LEU  66  -0.819  -3.233  -3.047
  492   HD21  LEU  66          HD21      LEU  66  -1.990  -5.267  -5.894
  493   HD22  LEU  66          HD22      LEU  66  -1.687  -3.618  -5.341
  494   HD23  LEU  66          HD23      LEU  66  -2.995  -4.561  -4.628
  495    H    LYS  67           HN       LYS  67   1.122  -4.040  -7.156
  496    HA   LYS  67           HA       LYS  67   3.916  -4.813  -7.546
  497    HB2  LYS  67           HB2      LYS  67   3.844  -4.223  -9.927
  498    HB3  LYS  67           HB1      LYS  67   2.614  -5.429  -9.593
  499    HG2  LYS  67           HG2      LYS  67   0.937  -3.568  -9.508
  500    HG3  LYS  67           HG1      LYS  67   2.206  -2.477 -10.032
  501    HD2  LYS  67           HD2      LYS  67   0.939  -4.750 -11.561
  502    HD3  LYS  67           HD1      LYS  67   0.926  -3.002 -11.863
  503    HE2  LYS  67           HE2      LYS  67   3.367  -4.783 -12.059
  504    HE3  LYS  67           HE1      LYS  67   2.413  -4.234 -13.427
  505    HZ1  LYS  67           HZ1      LYS  67   4.121  -2.594 -11.629
  506    HZ2  LYS  67           HZ2      LYS  67   2.963  -1.926 -12.680
  507    HZ3  LYS  67           HZ3      LYS  67   4.232  -2.785 -13.305
  508    H    THR  68           HN       THR  68   1.676  -2.063  -8.185
  509    HA   THR  68           HA       THR  68   3.684  -0.204  -7.138
  510    HB   THR  68           HB       THR  68   2.575   1.417  -8.692
  511    HG1  THR  68           HG1      THR  68   1.294   0.475 -10.385
  512   HG21  THR  68          HG21      THR  68   4.692   0.347  -9.371
  513   HG22  THR  68          HG22      THR  68   3.641   0.616 -10.762
  514   HG23  THR  68          HG23      THR  68   3.785  -1.000 -10.062
  515    H    VAL  69           HN       VAL  69   2.303   1.945  -6.689
  516    HA   VAL  69           HA       VAL  69   0.033   1.042  -5.221
  517    HB   VAL  69           HB       VAL  69  -0.239   3.152  -4.192
  518   HG11  VAL  69          HG11      VAL  69   2.680   2.578  -4.401
  519   HG12  VAL  69          HG12      VAL  69   1.504   1.875  -3.280
  520   HG13  VAL  69          HG13      VAL  69   1.903   3.591  -3.175
  521   HG21  VAL  69          HG21      VAL  69   1.734   4.282  -6.130
  522   HG22  VAL  69          HG22      VAL  69   1.041   5.128  -4.743
  523   HG23  VAL  69          HG23      VAL  69   0.002   4.599  -6.066
  524    H    GLY  70           HN       GLY  70   0.582   1.958  -8.338
  525    HA2  GLY  70           HA2      GLY  70  -1.815   3.372  -8.888
  526    HA3  GLY  70           HA1      GLY  70  -0.822   2.492 -10.054
  527    H    ASP  71           HN       ASP  71  -0.777   0.029  -9.158
  528    HA   ASP  71           HA       ASP  71  -3.308  -1.075  -9.806
  529    HB2  ASP  71           HB2      ASP  71  -1.050  -2.303  -9.996
  530    HB3  ASP  71           HB1      ASP  71  -1.137  -2.459  -8.237
  531    H    ALA  72           HN       ALA  72  -1.547  -0.572  -6.801
  532    HA   ALA  72           HA       ALA  72  -3.358  -1.780  -5.065
  533    HB1  ALA  72           HB1      ALA  72  -2.237  -0.697  -3.271
  534    HB2  ALA  72           HB2      ALA  72  -1.574   0.518  -4.351
  535    HB3  ALA  72           HB3      ALA  72  -1.031  -1.161  -4.473
  536    H    THR  73           HN       THR  73  -3.289   1.566  -6.232
  537    HA   THR  73           HA       THR  73  -5.208   2.559  -4.509
  538    HB   THR  73           HB       THR  73  -4.614   3.352  -7.378
  539    HG1  THR  73           HG1      THR  73  -2.914   3.692  -5.923
  540   HG21  THR  73          HG21      THR  73  -5.755   5.477  -6.874
  541   HG22  THR  73          HG22      THR  73  -6.224   4.855  -5.293
  542   HG23  THR  73          HG23      THR  73  -6.874   4.119  -6.759
  543    H    LYS  74           HN       LYS  74  -5.710   1.361  -7.846
  544    HA   LYS  74           HA       LYS  74  -8.513   1.344  -7.855
  545    HB2  LYS  74           HB2      LYS  74  -6.476  -0.299  -9.327
  546    HB3  LYS  74           HB1      LYS  74  -8.186  -0.618  -9.518
  547    HG2  LYS  74           HG2      LYS  74  -7.381   0.722 -11.323
  548    HG3  LYS  74           HG1      LYS  74  -8.510   1.649 -10.339
  549    HD2  LYS  74           HD2      LYS  74  -6.647   2.832  -9.301
  550    HD3  LYS  74           HD1      LYS  74  -5.500   1.851 -10.214
  551    HE2  LYS  74           HE2      LYS  74  -5.809   4.036 -11.260
  552    HE3  LYS  74           HE1      LYS  74  -6.371   2.737 -12.306
  553    HZ1  LYS  74           HZ1      LYS  74  -8.681   3.251 -11.496
  554    HZ2  LYS  74           HZ2      LYS  74  -7.957   4.416 -12.408
  555    HZ3  LYS  74           HZ3      LYS  74  -8.034   4.626 -10.719
  556    H    TYR  75           HN       TYR  75  -6.202  -0.984  -6.781
  557    HA   TYR  75           HA       TYR  75  -7.811  -3.179  -6.328
  558    HB2  TYR  75           HB2      TYR  75  -5.265  -2.869  -6.321
  559    HB3  TYR  75           HB1      TYR  75  -5.468  -2.404  -4.642
  560    HD1  TYR  75           HD2      TYR  75  -6.133  -3.938  -3.025
  561    HD2  TYR  75           HD1      TYR  75  -5.570  -5.160  -7.037
  562    HE1  TYR  75           HE2      TYR  75  -6.146  -6.199  -2.284
  563    HE2  TYR  75           HE1      TYR  75  -5.567  -7.486  -6.373
  564    HH   TYR  75           HH       TYR  75  -5.140  -8.844  -4.146
  565    H    ILE  76           HN       ILE  76  -6.580  -0.722  -4.076
  566    HA   ILE  76           HA       ILE  76  -8.027  -1.524  -1.824
  567    HB   ILE  76           HB       ILE  76  -6.762   1.135  -2.543
  568   HG12  ILE  76          HG12      ILE  76  -5.881  -1.044  -0.634
  569   HG13  ILE  76          HG11      ILE  76  -5.285  -0.850  -2.271
  570   HG21  ILE  76          HG21      ILE  76  -7.891   0.299   0.133
  571   HG22  ILE  76          HG22      ILE  76  -8.554   1.527  -0.944
  572   HG23  ILE  76          HG23      ILE  76  -6.974   1.778  -0.188
  573   HD11  ILE  76          HD11      ILE  76  -4.343   1.316  -1.669
  574   HD12  ILE  76          HD12      ILE  76  -3.719   0.020  -0.646
  575   HD13  ILE  76          HD13      ILE  76  -4.951   1.121  -0.026
  576    H    LEU  77           HN       LEU  77  -8.746   0.812  -4.366
  577    HA   LEU  77           HA       LEU  77 -11.027   1.929  -3.336
  578    HB2  LEU  77           HB2      LEU  77 -10.354   1.276  -6.200
  579    HB3  LEU  77           HB1      LEU  77 -11.783   2.178  -5.753
  580    HG   LEU  77           HG       LEU  77  -8.955   3.071  -5.182
  581   HD11  LEU  77          HD11      LEU  77  -9.404   2.990  -7.581
  582   HD12  LEU  77          HD12      LEU  77  -9.317   4.657  -7.009
  583   HD13  LEU  77          HD13      LEU  77 -10.884   3.921  -7.341
  584   HD21  LEU  77          HD21      LEU  77 -10.621   3.972  -3.638
  585   HD22  LEU  77          HD22      LEU  77 -11.602   4.509  -5.002
  586   HD23  LEU  77          HD23      LEU  77 -10.014   5.224  -4.720
  587    H    ASP  78           HN       ASP  78 -10.620  -1.100  -5.056
  588    HA   ASP  78           HA       ASP  78 -13.477  -1.652  -5.092
  589    HB2  ASP  78           HB2      ASP  78 -11.979  -2.193  -7.024
  590    HB3  ASP  78           HB1      ASP  78 -11.202  -3.410  -6.017
  591    H    HIS  79           HN       HIS  79 -10.625  -2.636  -3.378
  592    HA   HIS  79           HA       HIS  79 -11.860  -4.943  -2.112
  593    HB2  HIS  79           HB2      HIS  79  -9.273  -4.271  -2.767
  594    HB3  HIS  79           HB1      HIS  79  -9.308  -4.017  -1.029
  595    HD1  HIS  79           HD1      HIS  79  -9.810  -6.208   0.462
  596    HD2  HIS  79           HD2      HIS  79  -9.245  -6.883  -3.595
  597    HE1  HIS  79           HE1      HIS  79  -9.375  -8.633   0.239
  598    HE2  HIS  79           HE2      HIS  79  -8.627  -8.892  -2.127
  599    H    GLN  80           HN       GLN  80 -12.208  -1.725  -1.525
  600    HA   GLN  80           HA       GLN  80 -11.970  -1.985   1.342
  601    HB2  GLN  80           HB2      GLN  80 -12.463   0.428   1.504
  602    HB3  GLN  80           HB1      GLN  80 -11.131   0.102   0.415
  603    HG2  GLN  80           HG2      GLN  80 -12.762   0.369  -1.484
  604    HG3  GLN  80           HG1      GLN  80 -13.948   0.896  -0.304
  605   HE21  GLN  80          HE21      GLN  80 -10.500   1.710  -0.306
  606   HE22  GLN  80          HE22      GLN  80 -10.745   3.398  -0.604
  607    H    ALA  81           HN       ALA  81 -13.455  -2.868   2.430
  608    HA   ALA  81           HA       ALA  81 -16.221  -2.282   1.782
  609    HB1  ALA  81           HB1      ALA  81 -15.709  -4.440   0.748
  610    HB2  ALA  81           HB2      ALA  81 -16.815  -4.641   2.108
  611    HB3  ALA  81           HB3      ALA  81 -15.107  -5.044   2.293
  612    H2   SOO 101           H2A      SOO 101   4.296  -6.171  -0.265
  613    H3   SOO 101           H3A      SOO 101   2.939  -3.841  -1.769
  614    H4   SOO 101           H4A      SOO 101   3.141  -4.544   1.162
  615    H4A  SOO 101           H4B      SOO 101   4.482  -3.554   0.596
  616    H5   SOO 101           H5A      SOO 101   2.844  -1.868  -0.194
  617    H5A  SOO 101           H5B      SOO 101   2.811  -2.122   1.553
  618    H6   SOO 101           H6A      SOO 101   0.878  -3.633   1.261
  619    H6A  SOO 101           H6B      SOO 101   0.880  -3.261  -0.463
  620    H7   SOO 101           H7A      SOO 101   0.460  -0.906   0.021
  621    H7A  SOO 101           H7B      SOO 101   0.487  -1.257   1.762
  622    H8   SOO 101           H8C      SOO 101  -1.422  -2.762   1.463
  623    H8A  SOO 101           H8A      SOO 101  -1.434  -2.406  -0.264
  624    H8B  SOO 101           H8B      SOO 101  -1.802  -1.133   0.904
  625    H28  SOO 101          H28A      SOO 101  11.334 -11.775   1.367
  626   H28A  SOO 101          H28B      SOO 101  10.034 -10.589   1.540
  627    H30  SOO 101          H30A      SOO 101   8.028 -10.713   0.113
  628   H30A  SOO 101          H30B      SOO 101   7.870 -11.968  -1.115
  629   H30B  SOO 101          H30C      SOO 101   9.057 -10.678  -1.319
  630    H31  SOO 101          H31A      SOO 101   9.688 -13.666  -1.406
  631   H31A  SOO 101          H31B      SOO 101  11.132 -13.572  -0.396
  632   H31B  SOO 101          H31C      SOO 101  10.835 -12.343  -1.625
  633    H32  SOO 101          H32A      SOO 101   8.220 -13.802   0.638
  634   HO33  SOO 101          H33A      SOO 101  10.082 -13.632   2.622
  635   HN36  SOO 101          H36A      SOO 101   6.782 -11.758   1.132
  636    H37  SOO 101          H37A      SOO 101   6.573 -11.377   4.049
  637   H37A  SOO 101          H37B      SOO 101   6.539 -10.021   2.945
  638    H38  SOO 101          H38A      SOO 101   4.486 -12.205   3.099
  639   H38A  SOO 101          H38B      SOO 101   4.336 -10.450   3.434
  640   HN41  SOO 101          H41A      SOO 101   5.820  -9.748   1.181
  641    H42  SOO 101          H42A      SOO 101   5.644 -10.171  -1.318
  642   H42A  SOO 101          H42B      SOO 101   3.910 -10.284  -1.035
  643    H43  SOO 101          H43A      SOO 101   5.605  -7.819  -0.648
  644   H43A  SOO 101          H43B      SOO 101   3.869  -7.943  -0.328
  Start of MODEL   18
    1    H1   ALA   1           HT1      ALA   1 -13.701   4.236   4.199
    2    H2   ALA   1           HT2      ALA   1 -12.611   3.077   3.665
    3    H3   ALA   1           HT3      ALA   1 -14.312   2.804   3.519
    4    HA   ALA   1           HA       ALA   1 -13.379   3.400   1.405
    5    HB1  ALA   1           HB1      ALA   1 -15.659   4.103   1.954
    6    HB2  ALA   1           HB2      ALA   1 -14.848   5.285   0.926
    7    HB3  ALA   1           HB3      ALA   1 -15.030   5.597   2.652
    8    H    ALA   2           HN       ALA   2 -12.171   4.818   0.159
    9    HA   ALA   2           HA       ALA   2 -10.985   7.186   1.167
   10    HB1  ALA   2           HB1      ALA   2  -9.222   4.748   0.839
   11    HB2  ALA   2           HB2      ALA   2  -9.568   5.572   2.359
   12    HB3  ALA   2           HB3      ALA   2  -8.653   6.397   1.097
   13    H    THR   3           HN       THR   3 -10.348   8.383  -0.594
   14    HA   THR   3           HA       THR   3 -10.912   7.243  -3.164
   15    HB   THR   3           HB       THR   3 -10.588   9.577  -3.939
   16    HG1  THR   3           HG1      THR   3  -9.863  11.105  -2.577
   17   HG21  THR   3          HG21      THR   3 -12.468  10.572  -2.714
   18   HG22  THR   3          HG22      THR   3 -12.296   9.350  -1.453
   19   HG23  THR   3          HG23      THR   3 -12.788   8.876  -3.078
   20    H    GLN   4           HN       GLN   4  -9.184   8.395  -4.908
   21    HA   GLN   4           HA       GLN   4  -6.885   6.874  -4.637
   22    HB2  GLN   4           HB2      GLN   4  -7.476   7.323  -6.830
   23    HB3  GLN   4           HB1      GLN   4  -7.772   9.013  -6.536
   24    HG2  GLN   4           HG2      GLN   4  -4.980   7.975  -6.361
   25    HG3  GLN   4           HG1      GLN   4  -5.703   8.237  -7.951
   26   HE21  GLN   4          HE21      GLN   4  -3.472   9.636  -6.578
   27   HE22  GLN   4          HE22      GLN   4  -3.921  11.297  -6.551
   28    H    GLU   5           HN       GLU   5  -7.370  10.315  -4.110
   29    HA   GLU   5           HA       GLU   5  -4.717  10.911  -3.445
   30    HB2  GLU   5           HB2      GLU   5  -7.228  12.226  -2.444
   31    HB3  GLU   5           HB1      GLU   5  -5.605  12.863  -2.246
   32    HG2  GLU   5           HG2      GLU   5  -5.406  12.969  -4.707
   33    HG3  GLU   5           HG1      GLU   5  -7.095  12.462  -4.822
   34    H    GLU   6           HN       GLU   6  -7.388   9.761  -1.460
   35    HA   GLU   6           HA       GLU   6  -6.123  10.087   1.031
   36    HB2  GLU   6           HB2      GLU   6  -8.258   8.125   0.207
   37    HB3  GLU   6           HB1      GLU   6  -7.810   8.515   1.859
   38    HG2  GLU   6           HG2      GLU   6  -8.993  10.412  -0.148
   39    HG3  GLU   6           HG1      GLU   6  -9.850   9.646   1.186
   40    H    ILE   7           HN       ILE   7  -6.350   7.413  -1.234
   41    HA   ILE   7           HA       ILE   7  -4.891   5.524   0.226
   42    HB   ILE   7           HB       ILE   7  -5.260   5.856  -2.767
   43   HG12  ILE   7          HG12      ILE   7  -6.596   3.987  -0.800
   44   HG13  ILE   7          HG11      ILE   7  -7.300   5.492  -1.379
   45   HG21  ILE   7          HG21      ILE   7  -3.262   4.506  -2.332
   46   HG22  ILE   7          HG22      ILE   7  -4.565   3.502  -2.969
   47   HG23  ILE   7          HG23      ILE   7  -4.188   3.467  -1.247
   48   HD11  ILE   7          HD11      ILE   7  -8.216   3.574  -2.538
   49   HD12  ILE   7          HD12      ILE   7  -6.600   3.101  -3.060
   50   HD13  ILE   7          HD13      ILE   7  -7.311   4.603  -3.647
   51    H    VAL   8           HN       VAL   8  -3.796   7.505  -2.502
   52    HA   VAL   8           HA       VAL   8  -1.103   6.790  -2.426
   53    HB   VAL   8           HB       VAL   8  -2.329   9.386  -3.396
   54   HG11  VAL   8          HG11      VAL   8   0.097   9.576  -3.170
   55   HG12  VAL   8          HG12      VAL   8  -0.380   9.540  -4.870
   56   HG13  VAL   8          HG13      VAL   8   0.307   8.101  -4.115
   57   HG21  VAL   8          HG21      VAL   8  -2.360   8.275  -5.581
   58   HG22  VAL   8          HG22      VAL   8  -3.351   7.431  -4.393
   59   HG23  VAL   8          HG23      VAL   8  -1.770   6.794  -4.826
   60    H    ALA   9           HN       ALA   9  -2.588   9.735  -1.041
   61    HA   ALA   9           HA       ALA   9  -0.155  10.668   0.090
   62    HB1  ALA   9           HB1      ALA   9  -2.976  11.388   0.876
   63    HB2  ALA   9           HB2      ALA   9  -2.044  12.159  -0.405
   64    HB3  ALA   9           HB3      ALA   9  -1.519  12.302   1.276
   65    H    GLY  10           HN       GLY  10  -2.875   8.843   1.461
   66    HA2  GLY  10           HA2      GLY  10  -2.004   8.806   4.141
   67    HA3  GLY  10           HA1      GLY  10  -3.107   7.671   3.384
   68    H    LEU  11           HN       LEU  11  -1.532   6.506   1.464
   69    HA   LEU  11           HA       LEU  11  -0.236   4.474   2.705
   70    HB2  LEU  11           HB2      LEU  11  -0.375   5.542   0.029
   71    HB3  LEU  11           HB1      LEU  11   1.138   4.718   0.324
   72    HG   LEU  11           HG       LEU  11  -1.629   3.549   0.716
   73   HD11  LEU  11          HD11      LEU  11  -1.091   2.183  -1.220
   74   HD12  LEU  11          HD12      LEU  11   0.443   3.044  -1.408
   75   HD13  LEU  11          HD13      LEU  11  -1.083   3.898  -1.630
   76   HD21  LEU  11          HD21      LEU  11   1.099   2.286   0.924
   77   HD22  LEU  11          HD22      LEU  11  -0.446   1.445   1.091
   78   HD23  LEU  11          HD23      LEU  11   0.037   2.667   2.272
   79    H    ALA  12           HN       ALA  12   1.179   7.427   1.475
   80    HA   ALA  12           HA       ALA  12   3.825   6.628   1.942
   81    HB1  ALA  12           HB1      ALA  12   2.732   9.407   1.754
   82    HB2  ALA  12           HB2      ALA  12   3.266   8.371   0.411
   83    HB3  ALA  12           HB3      ALA  12   4.424   8.898   1.640
   84    H    GLU  13           HN       GLU  13   1.451   8.110   4.039
   85    HA   GLU  13           HA       GLU  13   3.345   8.881   6.027
   86    HB2  GLU  13           HB2      GLU  13   0.387   8.343   6.357
   87    HB3  GLU  13           HB1      GLU  13   1.411   9.255   7.458
   88    HG2  GLU  13           HG2      GLU  13   1.795  10.898   5.636
   89    HG3  GLU  13           HG1      GLU  13   0.616  10.020   4.664
   90    H    ILE  14           HN       ILE  14   1.177   6.143   5.569
   91    HA   ILE  14           HA       ILE  14   1.982   4.705   7.878
   92    HB   ILE  14           HB       ILE  14   0.586   3.821   5.327
   93   HG12  ILE  14          HG12      ILE  14  -1.279   3.227   6.911
   94   HG13  ILE  14          HG11      ILE  14  -0.331   3.917   8.214
   95   HG21  ILE  14          HG21      ILE  14   1.953   1.935   5.937
   96   HG22  ILE  14          HG22      ILE  14   0.256   1.585   6.257
   97   HG23  ILE  14          HG23      ILE  14   1.340   1.991   7.588
   98   HD11  ILE  14          HD11      ILE  14  -0.470   6.100   7.147
   99   HD12  ILE  14          HD12      ILE  14  -2.074   5.420   7.446
  100   HD13  ILE  14          HD13      ILE  14  -1.384   5.384   5.820
  101    H    VAL  15           HN       VAL  15   3.072   4.610   4.530
  102    HA   VAL  15           HA       VAL  15   5.008   2.639   4.853
  103    HB   VAL  15           HB       VAL  15   4.811   4.892   2.835
  104   HG11  VAL  15          HG11      VAL  15   7.151   4.323   3.111
  105   HG12  VAL  15          HG12      VAL  15   6.551   3.760   1.550
  106   HG13  VAL  15          HG13      VAL  15   6.790   2.612   2.878
  107   HG21  VAL  15          HG21      VAL  15   3.121   3.143   2.675
  108   HG22  VAL  15          HG22      VAL  15   4.384   1.913   2.623
  109   HG23  VAL  15          HG23      VAL  15   4.231   3.073   1.304
  110    H    ASN  16           HN       ASN  16   5.064   6.026   5.484
  111    HA   ASN  16           HA       ASN  16   7.874   6.263   5.869
  112    HB2  ASN  16           HB2      ASN  16   6.317   8.140   5.332
  113    HB3  ASN  16           HB1      ASN  16   5.719   8.042   6.981
  114   HD21  ASN  16          HD21      ASN  16   8.398   8.763   4.975
  115   HD22  ASN  16          HD22      ASN  16   9.255   9.765   6.101
  116    H    GLU  17           HN       GLU  17   5.167   5.554   7.993
  117    HA   GLU  17           HA       GLU  17   6.822   5.806  10.318
  118    HB2  GLU  17           HB2      GLU  17   4.868   5.129  11.624
  119    HB3  GLU  17           HB1      GLU  17   4.454   6.392  10.483
  120    HG2  GLU  17           HG2      GLU  17   3.523   4.597   8.990
  121    HG3  GLU  17           HG1      GLU  17   3.787   3.474  10.322
  122    H    ILE  18           HN       ILE  18   5.570   3.134   8.426
  123    HA   ILE  18           HA       ILE  18   6.667   1.146  10.215
  124    HB   ILE  18           HB       ILE  18   5.365   0.880   7.494
  125   HG12  ILE  18          HG12      ILE  18   4.329   0.485  10.314
  126   HG13  ILE  18          HG11      ILE  18   3.957   1.824   9.235
  127   HG21  ILE  18          HG21      ILE  18   6.051  -1.257   9.540
  128   HG22  ILE  18          HG22      ILE  18   6.836  -1.043   7.977
  129   HG23  ILE  18          HG23      ILE  18   5.136  -1.512   8.051
  130   HD11  ILE  18          HD11      ILE  18   2.820   0.304   7.734
  131   HD12  ILE  18          HD12      ILE  18   2.145   0.224   9.362
  132   HD13  ILE  18          HD13      ILE  18   3.223  -1.048   8.785
  133    H    ALA  19           HN       ALA  19   7.397   2.169   6.875
  134    HA   ALA  19           HA       ALA  19   9.827   0.547   6.963
  135    HB1  ALA  19           HB1      ALA  19   8.420   0.397   4.966
  136    HB2  ALA  19           HB2      ALA  19  10.025   1.019   4.584
  137    HB3  ALA  19           HB3      ALA  19   8.650   2.120   4.677
  138    H    GLY  20           HN       GLY  20   8.838   3.866   6.385
  139    HA2  GLY  20           HA2      GLY  20  10.119   5.695   7.314
  140    HA3  GLY  20           HA1      GLY  20  11.566   4.707   7.132
  141    H    ILE  21           HN       ILE  21   9.259   4.718   4.602
  142    HA   ILE  21           HA       ILE  21  11.179   5.956   2.816
  143    HB   ILE  21           HB       ILE  21   8.469   4.675   2.350
  144   HG12  ILE  21          HG12      ILE  21  10.222   3.083   2.913
  145   HG13  ILE  21          HG11      ILE  21   9.722   2.886   1.238
  146   HG21  ILE  21          HG21      ILE  21  10.320   5.757   0.241
  147   HG22  ILE  21          HG22      ILE  21   8.732   6.390   0.675
  148   HG23  ILE  21          HG23      ILE  21   8.874   4.791  -0.056
  149   HD11  ILE  21          HD11      ILE  21  11.706   4.111   0.509
  150   HD12  ILE  21          HD12      ILE  21  12.130   2.695   1.468
  151   HD13  ILE  21          HD13      ILE  21  12.200   4.304   2.191
  152    HA   PRO  22           HA       PRO  22   9.788  10.151   3.153
  153    HB2  PRO  22           HB2      PRO  22   9.961   9.972   0.165
  154    HB3  PRO  22           HB1      PRO  22  10.540  11.244   1.250
  155    HG2  PRO  22           HG2      PRO  22  12.238   9.469   0.279
  156    HG3  PRO  22           HG1      PRO  22  12.356   9.987   1.970
  157    HD2  PRO  22           HD2      PRO  22  11.367   7.419   0.843
  158    HD3  PRO  22           HD1      PRO  22  12.179   7.741   2.386
  159    H    VAL  23           HN       VAL  23   7.958  11.341   2.992
  160    HA   VAL  23           HA       VAL  23   5.559   9.853   2.371
  161    HB   VAL  23           HB       VAL  23   4.343  11.857   3.299
  162   HG11  VAL  23          HG11      VAL  23   5.034  11.484   5.603
  163   HG12  VAL  23          HG12      VAL  23   6.501  10.685   5.040
  164   HG13  VAL  23          HG13      VAL  23   4.923   9.964   4.717
  165   HG21  VAL  23          HG21      VAL  23   5.684  13.560   4.457
  166   HG22  VAL  23          HG22      VAL  23   5.996  13.539   2.714
  167   HG23  VAL  23          HG23      VAL  23   7.150  12.803   3.818
  168    H    GLU  24           HN       GLU  24   7.480  11.498   0.509
  169    HA   GLU  24           HA       GLU  24   5.374  12.549  -1.287
  170    HB2  GLU  24           HB2      GLU  24   7.201  13.914  -2.249
  171    HB3  GLU  24           HB1      GLU  24   6.958  14.254  -0.536
  172    HG2  GLU  24           HG2      GLU  24   8.867  12.862   0.038
  173    HG3  GLU  24           HG1      GLU  24   9.087  12.441  -1.657
  174    H    ASP  25           HN       ASP  25   7.048   9.892  -0.707
  175    HA   ASP  25           HA       ASP  25   8.246   9.570  -3.359
  176    HB2  ASP  25           HB2      ASP  25   9.655   9.383  -1.340
  177    HB3  ASP  25           HB1      ASP  25   8.722   7.990  -0.834
  178    H    VAL  26           HN       VAL  26   5.571   8.480  -1.481
  179    HA   VAL  26           HA       VAL  26   5.396   6.004  -2.985
  180    HB   VAL  26           HB       VAL  26   3.679   7.000  -0.677
  181   HG11  VAL  26          HG11      VAL  26   3.904   4.253  -1.899
  182   HG12  VAL  26          HG12      VAL  26   2.540   5.355  -2.075
  183   HG13  VAL  26          HG13      VAL  26   2.930   4.679  -0.491
  184   HG21  VAL  26          HG21      VAL  26   4.931   5.422   0.725
  185   HG22  VAL  26          HG22      VAL  26   5.970   6.679   0.057
  186   HG23  VAL  26          HG23      VAL  26   5.988   5.060  -0.641
  187    H    LYS  27           HN       LYS  27   5.004   7.207  -4.920
  188    HA   LYS  27           HA       LYS  27   2.287   8.264  -5.028
  189    HB2  LYS  27           HB2      LYS  27   4.648   9.201  -6.677
  190    HB3  LYS  27           HB1      LYS  27   2.988   9.788  -6.808
  191    HG2  LYS  27           HG2      LYS  27   3.109  10.507  -4.431
  192    HG3  LYS  27           HG1      LYS  27   4.818  10.086  -4.446
  193    HD2  LYS  27           HD2      LYS  27   4.586  12.447  -4.804
  194    HD3  LYS  27           HD1      LYS  27   5.140  11.696  -6.301
  195    HE2  LYS  27           HE2      LYS  27   2.898  11.777  -7.210
  196    HE3  LYS  27           HE1      LYS  27   2.274  12.407  -5.687
  197    HZ1  LYS  27           HZ1      LYS  27   3.600  14.391  -5.990
  198    HZ2  LYS  27           HZ2      LYS  27   2.621  14.191  -7.341
  199    HZ3  LYS  27           HZ3      LYS  27   4.269  13.780  -7.393
  200    H    LEU  28           HN       LEU  28   1.549   8.326  -7.473
  201    HA   LEU  28           HA       LEU  28   0.723   5.717  -7.805
  202    HB2  LEU  28           HB2      LEU  28   0.305   8.108  -9.524
  203    HB3  LEU  28           HB1      LEU  28  -0.375   6.548  -9.941
  204    HG   LEU  28           HG       LEU  28  -0.910   7.969  -7.324
  205   HD11  LEU  28          HD11      LEU  28  -1.874   9.239  -9.172
  206   HD12  LEU  28          HD12      LEU  28  -3.137   8.431  -8.237
  207   HD13  LEU  28          HD13      LEU  28  -2.637   7.773  -9.790
  208   HD21  LEU  28          HD21      LEU  28  -2.198   5.565  -8.610
  209   HD22  LEU  28          HD22      LEU  28  -2.701   6.341  -7.105
  210   HD23  LEU  28          HD23      LEU  28  -1.131   5.555  -7.202
  211    H    ASP  29           HN       ASP  29   3.755   6.233  -8.788
  212    HA   ASP  29           HA       ASP  29   3.410   4.023 -10.713
  213    HB2  ASP  29           HB2      ASP  29   3.883   6.284 -11.898
  214    HB3  ASP  29           HB1      ASP  29   5.505   6.151 -11.230
  215    H    LYS  30           HN       LYS  30   4.242   4.414  -7.847
  216    HA   LYS  30           HA       LYS  30   6.992   3.454  -8.018
  217    HB2  LYS  30           HB2      LYS  30   5.468   4.435  -5.593
  218    HB3  LYS  30           HB1      LYS  30   7.181   4.055  -5.676
  219    HG2  LYS  30           HG2      LYS  30   5.825   6.303  -7.163
  220    HG3  LYS  30           HG1      LYS  30   6.731   6.474  -5.665
  221    HD2  LYS  30           HD2      LYS  30   7.871   5.442  -8.261
  222    HD3  LYS  30           HD1      LYS  30   7.997   7.110  -7.715
  223    HE2  LYS  30           HE2      LYS  30   9.094   4.687  -6.288
  224    HE3  LYS  30           HE1      LYS  30  10.033   5.829  -7.241
  225    HZ1  LYS  30           HZ1      LYS  30   8.555   6.490  -4.731
  226    HZ2  LYS  30           HZ2      LYS  30   9.403   7.573  -5.651
  227    HZ3  LYS  30           HZ3      LYS  30  10.214   6.301  -4.886
  228    H    SER  31           HN       SER  31   7.357   1.405  -7.644
  229    HA   SER  31           HA       SER  31   5.213  -0.341  -6.832
  230    HB2  SER  31           HB2      SER  31   6.704  -0.960  -8.736
  231    HB3  SER  31           HB1      SER  31   8.078  -0.926  -7.639
  232    HG   SER  31           HG       SER  31   5.865  -2.580  -7.036
  233    H    PHE  32           HN       PHE  32   5.029  -1.159  -4.881
  234    HA   PHE  32           HA       PHE  32   6.458  -0.268  -2.655
  235    HB2  PHE  32           HB2      PHE  32   4.885  -2.815  -2.998
  236    HB3  PHE  32           HB1      PHE  32   5.487  -2.219  -1.463
  237    HD1  PHE  32           HD1      PHE  32   4.480  -0.299  -0.404
  238    HD2  PHE  32           HD2      PHE  32   3.016  -1.826  -4.087
  239    HE1  PHE  32           HE1      PHE  32   2.382   0.935  -0.079
  240    HE2  PHE  32           HE2      PHE  32   0.927  -0.595  -3.776
  241    HZ   PHE  32           HZ       PHE  32   0.601   0.780  -1.768
  242    H    THR  33           HN       THR  33   6.651  -3.444  -4.294
  243    HA   THR  33           HA       THR  33   8.929  -4.155  -2.754
  244    HB   THR  33           HB       THR  33   8.668  -6.216  -4.329
  245    HG1  THR  33           HG1      THR  33   6.799  -6.291  -5.426
  246   HG21  THR  33          HG21      THR  33   6.889  -7.082  -2.856
  247   HG22  THR  33          HG22      THR  33   6.531  -5.441  -2.321
  248   HG23  THR  33          HG23      THR  33   8.084  -6.176  -1.928
  249    H    ASP  34           HN       ASP  34   9.412  -1.927  -4.555
  250    HA   ASP  34           HA       ASP  34  11.791  -2.951  -5.801
  251    HB2  ASP  34           HB2      ASP  34  10.242  -3.422  -7.634
  252    HB3  ASP  34           HB1      ASP  34   9.672  -1.754  -7.607
  253    H    ASP  35           HN       ASP  35   9.667  -0.132  -6.102
  254    HA   ASP  35           HA       ASP  35  11.877   1.681  -6.210
  255    HB2  ASP  35           HB2      ASP  35   8.916   2.144  -5.900
  256    HB3  ASP  35           HB1      ASP  35  10.103   3.426  -6.061
  257    H    LEU  36           HN       LEU  36   9.365   0.901  -3.920
  258    HA   LEU  36           HA       LEU  36  10.302   2.844  -2.005
  259    HB2  LEU  36           HB2      LEU  36   8.230   0.694  -1.615
  260    HB3  LEU  36           HB1      LEU  36   8.451   2.132  -0.644
  261    HG   LEU  36           HG       LEU  36   7.439   2.005  -3.480
  262   HD11  LEU  36          HD11      LEU  36   5.817   1.287  -1.849
  263   HD12  LEU  36          HD12      LEU  36   5.366   2.854  -2.523
  264   HD13  LEU  36          HD13      LEU  36   6.076   2.759  -0.911
  265   HD21  LEU  36          HD21      LEU  36   8.781   3.997  -3.181
  266   HD22  LEU  36          HD22      LEU  36   7.882   4.413  -1.719
  267   HD23  LEU  36          HD23      LEU  36   7.073   4.417  -3.289
  268    H    ASP  37           HN       ASP  37   9.669  -0.611  -1.782
  269    HA   ASP  37           HA       ASP  37  10.475  -2.296  -0.662
  270    HB2  ASP  37           HB2      ASP  37  12.729  -1.891  -1.529
  271    HB3  ASP  37           HB1      ASP  37  13.028  -0.706  -0.255
  272    H    VAL  38           HN       VAL  38   9.195  -2.548   0.893
  273    HA   VAL  38           HA       VAL  38   9.619  -1.020   3.365
  274    HB   VAL  38           HB       VAL  38   7.275  -2.819   2.659
  275   HG11  VAL  38          HG11      VAL  38   6.124  -1.631   4.480
  276   HG12  VAL  38          HG12      VAL  38   7.595  -0.711   4.802
  277   HG13  VAL  38          HG13      VAL  38   7.575  -2.459   5.048
  278   HG21  VAL  38          HG21      VAL  38   7.338  -0.974   1.069
  279   HG22  VAL  38          HG22      VAL  38   7.444   0.188   2.395
  280   HG23  VAL  38          HG23      VAL  38   5.983  -0.779   2.182
  281    H    ASP  39           HN       ASP  39  11.589  -2.674   2.862
  282    HA   ASP  39           HA       ASP  39  12.891  -4.306   3.678
  283    HB2  ASP  39           HB2      ASP  39  11.894  -3.441   5.872
  284    HB3  ASP  39           HB1      ASP  39  10.781  -4.804   5.771
  285    H    SER  40           HN       SER  40  10.282  -4.755   2.176
  286    HA   SER  40           HA       SER  40   9.126  -6.199   1.039
  287    HB2  SER  40           HB2      SER  40  10.263  -8.211   0.129
  288    HB3  SER  40           HB1      SER  40  11.153  -6.701  -0.084
  289    H    LEU  41           HN       LEU  41  10.294  -7.782   3.900
  290    HA   LEU  41           HA       LEU  41   7.900  -9.401   3.835
  291    HB2  LEU  41           HB2      LEU  41   8.684 -10.329   6.020
  292    HB3  LEU  41           HB1      LEU  41   9.797 -10.550   4.693
  293    HG   LEU  41           HG       LEU  41  11.030  -8.505   5.638
  294   HD11  LEU  41          HD11      LEU  41   9.413  -9.227   8.074
  295   HD12  LEU  41          HD12      LEU  41   9.308  -7.738   7.140
  296   HD13  LEU  41          HD13      LEU  41  10.789  -8.111   8.025
  297   HD21  LEU  41          HD21      LEU  41  10.969 -11.104   7.150
  298   HD22  LEU  41          HD22      LEU  41  12.272  -9.915   7.200
  299   HD23  LEU  41          HD23      LEU  41  11.904 -10.758   5.696
  300    H    SER  42           HN       SER  42   9.028  -6.502   5.354
  301    HA   SER  42           HA       SER  42   6.915  -6.310   7.219
  302    HB2  SER  42           HB2      SER  42   9.048  -4.378   6.365
  303    HB3  SER  42           HB1      SER  42   7.779  -3.929   7.510
  304    HG   SER  42           HG       SER  42   8.389  -5.467   8.841
  305    H    MET  43           HN       MET  43   6.979  -5.801   3.967
  306    HA   MET  43           HA       MET  43   5.372  -3.602   3.845
  307    HB2  MET  43           HB2      MET  43   4.606  -4.485   1.482
  308    HB3  MET  43           HB1      MET  43   6.265  -4.022   1.761
  309    HG2  MET  43           HG2      MET  43   5.956  -6.064   0.425
  310    HG3  MET  43           HG1      MET  43   6.981  -6.250   1.836
  311    HE1  MET  43           HE1      MET  43   2.723  -7.952   1.483
  312    HE2  MET  43           HE2      MET  43   3.614  -7.290   0.131
  313    HE3  MET  43           HE3      MET  43   3.057  -6.207   1.435
  314    H    VAL  44           HN       VAL  44   4.480  -6.824   4.665
  315    HA   VAL  44           HA       VAL  44   1.680  -6.534   4.240
  316    HB   VAL  44           HB       VAL  44   2.923  -8.352   6.330
  317   HG11  VAL  44          HG11      VAL  44   0.519  -8.147   6.497
  318   HG12  VAL  44          HG12      VAL  44   0.958  -9.763   5.943
  319   HG13  VAL  44          HG13      VAL  44   0.341  -8.571   4.795
  320   HG21  VAL  44          HG21      VAL  44   2.469  -8.969   3.412
  321   HG22  VAL  44          HG22      VAL  44   2.979 -10.129   4.641
  322   HG23  VAL  44          HG23      VAL  44   4.033  -8.782   4.203
  323    H    GLU  45           HN       GLU  45   3.841  -5.424   6.651
  324    HA   GLU  45           HA       GLU  45   1.894  -5.018   8.679
  325    HB2  GLU  45           HB2      GLU  45   4.594  -3.694   8.328
  326    HB3  GLU  45           HB1      GLU  45   3.628  -3.712   9.804
  327    HG2  GLU  45           HG2      GLU  45   3.824  -6.181   9.839
  328    HG3  GLU  45           HG1      GLU  45   4.890  -6.080   8.444
  329    H    VAL  46           HN       VAL  46   3.393  -3.001   6.169
  330    HA   VAL  46           HA       VAL  46   1.935  -0.666   6.541
  331    HB   VAL  46           HB       VAL  46   2.877  -1.917   3.923
  332   HG11  VAL  46          HG11      VAL  46   2.514   0.296   2.870
  333   HG12  VAL  46          HG12      VAL  46   1.787   0.894   4.353
  334   HG13  VAL  46          HG13      VAL  46   0.991  -0.378   3.439
  335   HG21  VAL  46          HG21      VAL  46   3.925   0.359   5.587
  336   HG22  VAL  46          HG22      VAL  46   4.608  -0.201   4.060
  337   HG23  VAL  46          HG23      VAL  46   4.622  -1.254   5.476
  338    H    VAL  47           HN       VAL  47   1.074  -3.517   4.620
  339    HA   VAL  47           HA       VAL  47  -1.415  -2.875   3.645
  340    HB   VAL  47           HB       VAL  47  -0.768  -5.539   4.947
  341   HG11  VAL  47          HG11      VAL  47  -3.110  -5.283   4.398
  342   HG12  VAL  47          HG12      VAL  47  -2.352  -6.462   3.327
  343   HG13  VAL  47          HG13      VAL  47  -2.696  -4.833   2.745
  344   HG21  VAL  47          HG21      VAL  47  -0.006  -6.273   2.747
  345   HG22  VAL  47          HG22      VAL  47   0.976  -4.949   3.369
  346   HG23  VAL  47          HG23      VAL  47  -0.239  -4.639   2.127
  347    H    VAL  48           HN       VAL  48  -0.856  -4.519   6.748
  348    HA   VAL  48           HA       VAL  48  -3.398  -4.524   7.796
  349    HB   VAL  48           HB       VAL  48  -0.780  -4.235   9.304
  350   HG11  VAL  48          HG11      VAL  48  -3.482  -5.114  10.340
  351   HG12  VAL  48          HG12      VAL  48  -2.649  -3.616  10.756
  352   HG13  VAL  48          HG13      VAL  48  -1.966  -5.169  11.242
  353   HG21  VAL  48          HG21      VAL  48  -0.889  -6.201   7.885
  354   HG22  VAL  48          HG22      VAL  48  -2.439  -6.647   8.594
  355   HG23  VAL  48          HG23      VAL  48  -0.978  -6.665   9.585
  356    H    ALA  49           HN       ALA  49  -1.052  -1.884   8.081
  357    HA   ALA  49           HA       ALA  49  -2.815  -0.333   9.758
  358    HB1  ALA  49           HB1      ALA  49  -1.136   1.388   9.689
  359    HB2  ALA  49           HB2      ALA  49  -0.252   0.523   8.428
  360    HB3  ALA  49           HB3      ALA  49  -0.393  -0.169  10.053
  361    H    ALA  50           HN       ALA  50  -2.002  -0.506   6.387
  362    HA   ALA  50           HA       ALA  50  -3.303   1.880   5.588
  363    HB1  ALA  50           HB1      ALA  50  -1.664   0.751   4.153
  364    HB2  ALA  50           HB2      ALA  50  -3.219   0.906   3.329
  365    HB3  ALA  50           HB3      ALA  50  -2.734  -0.643   4.019
  366    H    GLU  51           HN       GLU  51  -4.261  -1.466   6.034
  367    HA   GLU  51           HA       GLU  51  -6.853  -1.363   5.097
  368    HB2  GLU  51           HB2      GLU  51  -5.777  -2.875   7.458
  369    HB3  GLU  51           HB1      GLU  51  -7.381  -3.108   6.796
  370    HG2  GLU  51           HG2      GLU  51  -6.331  -3.783   4.662
  371    HG3  GLU  51           HG1      GLU  51  -4.756  -3.676   5.459
  372    H    GLU  52           HN       GLU  52  -5.519  -0.554   8.192
  373    HA   GLU  52           HA       GLU  52  -7.873   0.155   9.498
  374    HB2  GLU  52           HB2      GLU  52  -5.639  -0.296  10.546
  375    HB3  GLU  52           HB1      GLU  52  -5.083   1.249   9.949
  376    HG2  GLU  52           HG2      GLU  52  -7.326   0.877  11.937
  377    HG3  GLU  52           HG1      GLU  52  -5.656   1.204  12.367
  378    H    ARG  53           HN       ARG  53  -5.482   2.076   7.732
  379    HA   ARG  53           HA       ARG  53  -6.609   4.606   8.158
  380    HB2  ARG  53           HB2      ARG  53  -4.278   4.320   7.494
  381    HB3  ARG  53           HB1      ARG  53  -4.782   3.734   5.914
  382    HG2  ARG  53           HG2      ARG  53  -4.076   6.057   5.783
  383    HG3  ARG  53           HG1      ARG  53  -5.805   5.921   5.439
  384    HD2  ARG  53           HD2      ARG  53  -6.182   6.421   7.885
  385    HD3  ARG  53           HD1      ARG  53  -4.478   6.846   7.969
  386    HE   ARG  53           HE       ARG  53  -5.431   8.332   5.920
  387   HH11  ARG  53          HH11      ARG  53  -6.379   7.871   9.301
  388   HH12  ARG  53          HH12      ARG  53  -7.079   9.401   9.507
  389   HH21  ARG  53          HH21      ARG  53  -6.386  10.537   6.173
  390   HH22  ARG  53          HH22      ARG  53  -7.015  10.979   7.692
  391    H    PHE  54           HN       PHE  54  -6.993   2.470   5.325
  392    HA   PHE  54           HA       PHE  54  -8.732   4.475   4.060
  393    HB2  PHE  54           HB2      PHE  54  -8.035   1.746   2.990
  394    HB3  PHE  54           HB1      PHE  54  -8.648   3.131   2.096
  395    HD1  PHE  54           HD1      PHE  54  -7.002   5.273   2.926
  396    HD2  PHE  54           HD2      PHE  54  -5.962   1.232   2.192
  397    HE1  PHE  54           HE1      PHE  54  -4.680   5.966   2.342
  398    HE2  PHE  54           HE2      PHE  54  -3.676   1.887   1.625
  399    HZ   PHE  54           HZ       PHE  54  -2.982   4.222   1.839
  400    H    ASP  55           HN       ASP  55  -9.102   2.129   6.277
  401    HA   ASP  55           HA       ASP  55 -10.668   0.668   6.960
  402    HB2  ASP  55           HB2      ASP  55 -11.998   2.843   6.940
  403    HB3  ASP  55           HB1      ASP  55 -12.590   2.391   5.350
  404    H    VAL  56           HN       VAL  56  -9.167  -0.041   4.929
  405    HA   VAL  56           HA       VAL  56 -10.887  -1.380   2.989
  406    HB   VAL  56           HB       VAL  56  -8.862   0.027   2.155
  407   HG11  VAL  56          HG11      VAL  56  -7.321  -2.346   3.107
  408   HG12  VAL  56          HG12      VAL  56  -7.116  -0.666   3.649
  409   HG13  VAL  56          HG13      VAL  56  -6.726  -1.149   1.986
  410   HG21  VAL  56          HG21      VAL  56  -9.064  -2.826   1.244
  411   HG22  VAL  56          HG22      VAL  56  -8.277  -1.519   0.359
  412   HG23  VAL  56          HG23      VAL  56 -10.016  -1.460   0.662
  413    H    LYS  57           HN       LYS  57  -9.980  -3.555   2.434
  414    HA   LYS  57           HA       LYS  57  -9.009  -4.993   4.802
  415    HB2  LYS  57           HB2      LYS  57 -11.454  -5.872   3.208
  416    HB3  LYS  57           HB1      LYS  57 -10.620  -6.859   4.383
  417    HG2  LYS  57           HG2      LYS  57 -12.614  -6.061   5.419
  418    HG3  LYS  57           HG1      LYS  57 -11.278  -5.172   6.140
  419    HD2  LYS  57           HD2      LYS  57 -11.786  -3.247   4.714
  420    HD3  LYS  57           HD1      LYS  57 -13.096  -4.149   3.953
  421    HE2  LYS  57           HE2      LYS  57 -13.939  -2.594   5.647
  422    HE3  LYS  57           HE1      LYS  57 -14.275  -4.268   6.079
  423    HZ1  LYS  57           HZ1      LYS  57 -13.478  -2.910   7.961
  424    HZ2  LYS  57           HZ2      LYS  57 -12.017  -2.657   7.190
  425    HZ3  LYS  57           HZ3      LYS  57 -12.447  -4.208   7.664
  426    H    ILE  58           HN       ILE  58  -7.179  -5.830   4.061
  427    HA   ILE  58           HA       ILE  58  -7.297  -7.207   1.497
  428    HB   ILE  58           HB       ILE  58  -4.906  -5.424   2.086
  429   HG12  ILE  58          HG12      ILE  58  -7.244  -4.743   0.278
  430   HG13  ILE  58          HG11      ILE  58  -6.924  -3.968   1.825
  431   HG21  ILE  58          HG21      ILE  58  -4.649  -7.308   0.508
  432   HG22  ILE  58          HG22      ILE  58  -4.525  -5.743  -0.321
  433   HG23  ILE  58          HG23      ILE  58  -6.023  -6.670  -0.406
  434   HD11  ILE  58          HD11      ILE  58  -5.133  -3.891  -0.597
  435   HD12  ILE  58          HD12      ILE  58  -4.806  -3.113   0.953
  436   HD13  ILE  58          HD13      ILE  58  -6.177  -2.590  -0.025
  437    HA   PRO  59           HA       PRO  59  -5.084  -9.810   4.443
  438    HB2  PRO  59           HB2      PRO  59  -5.858 -12.030   2.720
  439    HB3  PRO  59           HB1      PRO  59  -6.360 -11.671   4.378
  440    HG2  PRO  59           HG2      PRO  59  -8.027 -11.512   2.213
  441    HG3  PRO  59           HG1      PRO  59  -8.257 -10.634   3.732
  442    HD2  PRO  59           HD2      PRO  59  -7.165  -9.679   1.129
  443    HD3  PRO  59           HD1      PRO  59  -8.183  -8.829   2.309
  444    H    ASP  60           HN       ASP  60  -3.349 -11.475   4.001
  445    HA   ASP  60           HA       ASP  60  -1.447 -10.338   2.284
  446    HB2  ASP  60           HB2      ASP  60   0.031 -12.180   2.760
  447    HB3  ASP  60           HB1      ASP  60  -0.712 -11.585   4.243
  448    H    ASP  61           HN       ASP  61  -3.717 -12.867   1.724
  449    HA   ASP  61           HA       ASP  61  -2.541 -14.028  -0.567
  450    HB2  ASP  61           HB2      ASP  61  -5.486 -13.696   0.081
  451    HB3  ASP  61           HB1      ASP  61  -4.829 -14.770  -1.147
  452    H    ASP  62           HN       ASP  62  -4.691 -11.348  -0.074
  453    HA   ASP  62           HA       ASP  62  -5.048 -10.676  -2.799
  454    HB2  ASP  62           HB2      ASP  62  -5.656  -9.286  -0.218
  455    HB3  ASP  62           HB1      ASP  62  -5.881  -8.492  -1.766
  456    H    VAL  63           HN       VAL  63  -2.863  -9.530  -0.270
  457    HA   VAL  63           HA       VAL  63  -1.962  -7.354  -1.846
  458    HB   VAL  63           HB       VAL  63  -1.675  -7.371   0.639
  459   HG11  VAL  63          HG11      VAL  63  -0.841  -9.660   0.865
  460   HG12  VAL  63          HG12      VAL  63   0.204  -8.480   1.661
  461   HG13  VAL  63          HG13      VAL  63   0.674  -9.174   0.108
  462   HG21  VAL  63          HG21      VAL  63  -0.515  -5.755  -0.703
  463   HG22  VAL  63          HG22      VAL  63   0.815  -6.883  -0.961
  464   HG23  VAL  63          HG23      VAL  63   0.491  -6.256   0.655
  465    H    LYS  64           HN       LYS  64  -1.141 -10.652  -1.885
  466    HA   LYS  64           HA       LYS  64   1.355 -10.309  -3.149
  467    HB2  LYS  64           HB2      LYS  64  -0.439 -12.730  -2.979
  468    HB3  LYS  64           HB1      LYS  64   1.123 -12.759  -3.787
  469    HG2  LYS  64           HG2      LYS  64   2.208 -12.087  -1.678
  470    HG3  LYS  64           HG1      LYS  64   0.635 -12.119  -0.884
  471    HD2  LYS  64           HD2      LYS  64   1.974 -14.490  -2.195
  472    HD3  LYS  64           HD1      LYS  64   1.964 -14.156  -0.465
  473    HE2  LYS  64           HE2      LYS  64  -0.505 -14.298  -0.490
  474    HE3  LYS  64           HE1      LYS  64  -0.443 -14.710  -2.202
  475    HZ1  LYS  64           HZ1      LYS  64   0.829 -16.692  -1.632
  476    HZ2  LYS  64           HZ2      LYS  64  -0.651 -16.696  -0.854
  477    HZ3  LYS  64           HZ3      LYS  64   0.757 -16.308   0.010
  478    H    ASN  65           HN       ASN  65  -1.620  -9.539  -4.208
  479    HA   ASN  65           HA       ASN  65  -1.251 -10.244  -7.034
  480    HB2  ASN  65           HB2      ASN  65  -3.616  -8.999  -5.597
  481    HB3  ASN  65           HB1      ASN  65  -3.571  -9.433  -7.299
  482   HD21  ASN  65          HD21      ASN  65  -5.289 -10.303  -5.065
  483   HD22  ASN  65          HD22      ASN  65  -5.202 -12.027  -5.065
  484    H    LEU  66           HN       LEU  66  -0.185  -7.875  -5.065
  485    HA   LEU  66           HA       LEU  66  -0.920  -5.653  -6.811
  486    HB2  LEU  66           HB2      LEU  66   0.357  -5.669  -4.082
  487    HB3  LEU  66           HB1      LEU  66   0.039  -4.225  -5.018
  488    HG   LEU  66           HG       LEU  66  -2.050  -6.128  -3.965
  489   HD11  LEU  66          HD11      LEU  66  -1.317  -3.324  -3.145
  490   HD12  LEU  66          HD12      LEU  66  -1.008  -4.788  -2.215
  491   HD13  LEU  66          HD13      LEU  66  -2.668  -4.267  -2.515
  492   HD21  LEU  66          HD21      LEU  66  -2.692  -5.141  -6.089
  493   HD22  LEU  66          HD22      LEU  66  -2.319  -3.532  -5.464
  494   HD23  LEU  66          HD23      LEU  66  -3.644  -4.466  -4.767
  495    H    LYS  67           HN       LYS  67   1.036  -3.897  -6.691
  496    HA   LYS  67           HA       LYS  67   3.618  -5.018  -7.153
  497    HB2  LYS  67           HB2      LYS  67   2.642  -5.488  -9.308
  498    HB3  LYS  67           HB1      LYS  67   1.944  -3.877  -9.391
  499    HG2  LYS  67           HG2      LYS  67   4.318  -3.015  -9.310
  500    HG3  LYS  67           HG1      LYS  67   4.812  -4.679  -9.617
  501    HD2  LYS  67           HD2      LYS  67   3.523  -4.698 -11.684
  502    HD3  LYS  67           HD1      LYS  67   2.942  -3.060 -11.277
  503    HE2  LYS  67           HE2      LYS  67   5.051  -2.145 -11.431
  504    HE3  LYS  67           HE1      LYS  67   5.833  -3.721 -11.547
  505    HZ1  LYS  67           HZ1      LYS  67   4.975  -4.025 -13.731
  506    HZ2  LYS  67           HZ2      LYS  67   5.611  -2.437 -13.688
  507    HZ3  LYS  67           HZ3      LYS  67   3.964  -2.669 -13.622
  508    H    THR  68           HN       THR  68   1.746  -2.189  -8.296
  509    HA   THR  68           HA       THR  68   3.641  -0.457  -6.867
  510    HB   THR  68           HB       THR  68   3.017   1.321  -8.456
  511    HG1  THR  68           HG1      THR  68   1.405  -0.716  -9.632
  512   HG21  THR  68          HG21      THR  68   4.035   0.421 -10.517
  513   HG22  THR  68          HG22      THR  68   3.869  -1.215  -9.868
  514   HG23  THR  68          HG23      THR  68   4.927  -0.046  -9.071
  515    H    VAL  69           HN       VAL  69   2.407   1.792  -6.558
  516    HA   VAL  69           HA       VAL  69   0.084   1.133  -5.048
  517    HB   VAL  69           HB       VAL  69  -0.123   3.463  -4.427
  518   HG11  VAL  69          HG11      VAL  69   2.023   3.850  -3.362
  519   HG12  VAL  69          HG12      VAL  69   2.736   2.568  -4.356
  520   HG13  VAL  69          HG13      VAL  69   1.456   2.191  -3.195
  521   HG21  VAL  69          HG21      VAL  69   1.351   5.167  -5.267
  522   HG22  VAL  69          HG22      VAL  69   0.425   4.427  -6.581
  523   HG23  VAL  69          HG23      VAL  69   2.114   3.996  -6.334
  524    H    GLY  70           HN       GLY  70   0.650   1.737  -8.304
  525    HA2  GLY  70           HA2      GLY  70  -1.758   3.144  -8.909
  526    HA3  GLY  70           HA1      GLY  70  -0.766   2.221 -10.044
  527    H    ASP  71           HN       ASP  71  -0.653  -0.147  -8.829
  528    HA   ASP  71           HA       ASP  71  -3.054  -1.498  -9.466
  529    HB2  ASP  71           HB2      ASP  71  -0.831  -2.438  -7.632
  530    HB3  ASP  71           HB1      ASP  71  -1.981  -3.468  -8.453
  531    H    ALA  72           HN       ALA  72  -1.409  -0.741  -6.443
  532    HA   ALA  72           HA       ALA  72  -3.181  -1.790  -4.631
  533    HB1  ALA  72           HB1      ALA  72  -0.951  -0.990  -4.041
  534    HB2  ALA  72           HB2      ALA  72  -2.191  -0.345  -2.964
  535    HB3  ALA  72           HB3      ALA  72  -1.503   0.675  -4.229
  536    H    THR  73           HN       THR  73  -3.180   1.558  -5.871
  537    HA   THR  73           HA       THR  73  -5.213   2.575  -4.352
  538    HB   THR  73           HB       THR  73  -4.586   3.191  -7.261
  539    HG1  THR  73           HG1      THR  73  -2.843   3.626  -5.949
  540   HG21  THR  73          HG21      THR  73  -5.695   5.381  -6.864
  541   HG22  THR  73          HG22      THR  73  -6.152   4.851  -5.253
  542   HG23  THR  73          HG23      THR  73  -6.827   4.045  -6.665
  543    H    LYS  74           HN       LYS  74  -5.516   0.860  -7.447
  544    HA   LYS  74           HA       LYS  74  -8.354   1.205  -7.660
  545    HB2  LYS  74           HB2      LYS  74  -6.840  -1.006  -9.028
  546    HB3  LYS  74           HB1      LYS  74  -8.239  -0.111  -9.596
  547    HG2  LYS  74           HG2      LYS  74  -5.399   0.909  -9.429
  548    HG3  LYS  74           HG1      LYS  74  -6.288   0.470 -10.872
  549    HD2  LYS  74           HD2      LYS  74  -7.784   2.326 -10.599
  550    HD3  LYS  74           HD1      LYS  74  -7.101   2.681  -9.005
  551    HE2  LYS  74           HE2      LYS  74  -4.977   3.243  -9.970
  552    HE3  LYS  74           HE1      LYS  74  -5.521   2.740 -11.568
  553    HZ1  LYS  74           HZ1      LYS  74  -6.739   5.021 -10.062
  554    HZ2  LYS  74           HZ2      LYS  74  -6.983   4.569 -11.682
  555    HZ3  LYS  74           HZ3      LYS  74  -5.488   5.156 -11.188
  556    H    TYR  75           HN       TYR  75  -6.211  -1.230  -6.451
  557    HA   TYR  75           HA       TYR  75  -8.055  -3.350  -6.092
  558    HB2  TYR  75           HB2      TYR  75  -5.470  -3.315  -6.219
  559    HB3  TYR  75           HB1      TYR  75  -5.552  -2.927  -4.505
  560    HD1  TYR  75           HD2      TYR  75  -6.429  -4.500  -2.928
  561    HD2  TYR  75           HD1      TYR  75  -5.984  -5.523  -7.017
  562    HE1  TYR  75           HE2      TYR  75  -6.638  -6.843  -2.331
  563    HE2  TYR  75           HE1      TYR  75  -6.178  -7.842  -6.512
  564    HH   TYR  75           HH       TYR  75  -5.969  -9.411  -4.501
  565    H    ILE  76           HN       ILE  76  -6.691  -0.851  -4.026
  566    HA   ILE  76           HA       ILE  76  -8.000  -1.575  -1.660
  567    HB   ILE  76           HB       ILE  76  -6.797   1.053  -2.573
  568   HG12  ILE  76          HG12      ILE  76  -5.866  -0.962  -0.522
  569   HG13  ILE  76          HG11      ILE  76  -5.308  -0.907  -2.188
  570   HG21  ILE  76          HG21      ILE  76  -7.853   0.387   0.179
  571   HG22  ILE  76          HG22      ILE  76  -8.567   1.531  -0.957
  572   HG23  ILE  76          HG23      ILE  76  -6.971   1.856  -0.269
  573   HD11  ILE  76          HD11      ILE  76  -3.715   0.104  -0.675
  574   HD12  ILE  76          HD12      ILE  76  -4.941   1.259  -0.134
  575   HD13  ILE  76          HD13      ILE  76  -4.367   1.291  -1.802
  576    H    LEU  77           HN       LEU  77  -8.849   0.619  -4.303
  577    HA   LEU  77           HA       LEU  77 -11.175   1.589  -3.208
  578    HB2  LEU  77           HB2      LEU  77 -10.585   1.022  -6.115
  579    HB3  LEU  77           HB1      LEU  77 -11.981   1.925  -5.571
  580    HG   LEU  77           HG       LEU  77  -9.101   2.754  -5.195
  581   HD11  LEU  77          HD11      LEU  77  -9.809   2.897  -7.511
  582   HD12  LEU  77          HD12      LEU  77  -9.623   4.503  -6.807
  583   HD13  LEU  77          HD13      LEU  77 -11.234   3.818  -7.030
  584   HD21  LEU  77          HD21      LEU  77 -10.538   3.543  -3.384
  585   HD22  LEU  77          HD22      LEU  77 -11.654   4.235  -4.562
  586   HD23  LEU  77          HD23      LEU  77 -10.013   4.868  -4.416
  587    H    ASP  78           HN       ASP  78 -10.568  -1.430  -4.880
  588    HA   ASP  78           HA       ASP  78 -13.270  -2.331  -5.027
  589    HB2  ASP  78           HB2      ASP  78 -10.666  -3.877  -5.130
  590    HB3  ASP  78           HB1      ASP  78 -12.234  -4.651  -5.266
  591    H    HIS  79           HN       HIS  79 -10.649  -3.119  -2.820
  592    HA   HIS  79           HA       HIS  79 -12.341  -4.837  -1.233
  593    HB2  HIS  79           HB2      HIS  79  -9.479  -4.355  -1.390
  594    HB3  HIS  79           HB1      HIS  79 -10.090  -4.766   0.209
  595    HD1  HIS  79           HD1      HIS  79 -11.374  -7.061   0.414
  596    HD2  HIS  79           HD2      HIS  79  -9.336  -6.460  -3.147
  597    HE1  HIS  79           HE1      HIS  79 -11.115  -9.328  -0.594
  598    HE2  HIS  79           HE2      HIS  79  -9.442  -8.913  -2.381
  599    H    GLN  80           HN       GLN  80 -12.287  -1.631  -1.135
  600    HA   GLN  80           HA       GLN  80 -12.094  -1.454   1.789
  601    HB2  GLN  80           HB2      GLN  80 -12.034   0.905   1.571
  602    HB3  GLN  80           HB1      GLN  80 -10.962   0.230   0.351
  603    HG2  GLN  80           HG2      GLN  80 -12.708   0.556  -1.347
  604    HG3  GLN  80           HG1      GLN  80 -13.756   1.263  -0.125
  605   HE21  GLN  80          HE21      GLN  80 -10.309   1.774  -0.443
  606   HE22  GLN  80          HE22      GLN  80 -10.428   3.455  -0.880
  607    H    ALA  81           HN       ALA  81 -13.782  -0.349   2.965
  608    HA   ALA  81           HA       ALA  81 -16.378  -0.829   1.783
  609    HB1  ALA  81           HB1      ALA  81 -15.557  -0.126   4.608
  610    HB2  ALA  81           HB2      ALA  81 -15.991  -1.732   4.024
  611    HB3  ALA  81           HB3      ALA  81 -17.207  -0.455   4.075
  612    H2   SOO 101           H2A      SOO 101   3.352  -5.716  -0.979
  613    H3   SOO 101           H3A      SOO 101   1.850  -3.195  -1.927
  614    H4   SOO 101           H4A      SOO 101   1.944  -4.621   0.738
  615    H4A  SOO 101           H4B      SOO 101   3.171  -3.367   0.557
  616    H5   SOO 101           H5A      SOO 101   1.383  -1.724   0.087
  617    H5A  SOO 101           H5B      SOO 101   1.208  -2.463   1.679
  618    H6   SOO 101           H6A      SOO 101  -0.414  -4.084   0.641
  619    H6A  SOO 101           H6B      SOO 101  -0.348  -3.110  -0.826
  620    H7   SOO 101           H7A      SOO 101  -1.216  -2.064   1.872
  621    H7A  SOO 101           H7B      SOO 101  -2.314  -2.575   0.579
  622    H8   SOO 101           H8C      SOO 101  -1.360  -0.871  -0.883
  623    H8A  SOO 101           H8A      SOO 101  -0.268  -0.378   0.410
  624    H8B  SOO 101           H8B      SOO 101  -2.009  -0.164   0.598
  625    H28  SOO 101          H28A      SOO 101  11.163 -11.449   1.604
  626   H28A  SOO 101          H28B      SOO 101  10.014 -10.110   1.483
  627    H30  SOO 101          H30A      SOO 101   8.077 -11.346  -1.359
  628   H30A  SOO 101          H30B      SOO 101   9.356 -10.144  -1.387
  629   H30B  SOO 101          H30C      SOO 101   8.164 -10.122  -0.104
  630    H31  SOO 101          H31A      SOO 101  11.138 -13.206  -0.310
  631   H31A  SOO 101          H31B      SOO 101  11.049 -11.935  -1.529
  632   H31B  SOO 101          H31C      SOO 101   9.810 -13.187  -1.469
  633    H32  SOO 101          H32A      SOO 101   8.351 -13.480   0.411
  634   HO33  SOO 101          H33A      SOO 101   9.142 -13.383   2.761
  635   HN36  SOO 101          H36A      SOO 101   6.589 -11.697   0.256
  636    H37  SOO 101          H37A      SOO 101   5.250 -11.423   2.771
  637   H37A  SOO 101          H37B      SOO 101   5.749  -9.923   2.010
  638    H38  SOO 101          H38A      SOO 101   3.930 -12.001   0.820
  639   H38A  SOO 101          H38B      SOO 101   3.489 -10.355   1.309
  640   HN41  SOO 101          H41A      SOO 101   2.969  -9.374  -0.462
  641    H42  SOO 101          H42A      SOO 101   4.647  -9.450  -2.882
  642   H42A  SOO 101          H42B      SOO 101   2.887  -9.318  -2.895
  643    H43  SOO 101          H43A      SOO 101   4.815  -7.379  -1.756
  644   H43A  SOO 101          H43B      SOO 101   3.052  -7.257  -1.560
  Start of MODEL   19
    1    H1   ALA   1           HT1      ALA   1 -15.734   7.176   2.057
    2    H2   ALA   1           HT2      ALA   1 -16.808   6.077   1.346
    3    H3   ALA   1           HT3      ALA   1 -15.950   7.200   0.391
    4    HA   ALA   1           HA       ALA   1 -14.681   5.055   1.926
    5    HB1  ALA   1           HB1      ALA   1 -14.282   4.028  -0.278
    6    HB2  ALA   1           HB2      ALA   1 -15.235   5.299  -1.044
    7    HB3  ALA   1           HB3      ALA   1 -16.007   4.162   0.064
    8    H    ALA   2           HN       ALA   2 -12.545   4.851   0.098
    9    HA   ALA   2           HA       ALA   2 -11.235   7.402   0.639
   10    HB1  ALA   2           HB1      ALA   2  -9.140   6.192   0.335
   11    HB2  ALA   2           HB2      ALA   2 -10.024   4.747  -0.140
   12    HB3  ALA   2           HB3      ALA   2 -10.158   5.359   1.514
   13    H    THR   3           HN       THR   3  -9.489   7.903  -1.097
   14    HA   THR   3           HA       THR   3 -10.531   7.425  -3.788
   15    HB   THR   3           HB       THR   3  -9.811   9.791  -4.272
   16    HG1  THR   3           HG1      THR   3  -9.902  10.993  -2.035
   17   HG21  THR   3          HG21      THR   3 -11.797  10.872  -3.267
   18   HG22  THR   3          HG22      THR   3 -11.984   9.505  -2.168
   19   HG23  THR   3          HG23      THR   3 -12.206   9.278  -3.901
   20    H    GLN   4           HN       GLN   4  -8.610   8.374  -5.338
   21    HA   GLN   4           HA       GLN   4  -6.262   6.957  -4.756
   22    HB2  GLN   4           HB2      GLN   4  -6.916   7.398  -7.054
   23    HB3  GLN   4           HB1      GLN   4  -6.883   9.126  -6.779
   24    HG2  GLN   4           HG2      GLN   4  -4.330   7.759  -6.300
   25    HG3  GLN   4           HG1      GLN   4  -4.911   7.688  -7.961
   26   HE21  GLN   4          HE21      GLN   4  -3.810   9.799  -5.396
   27   HE22  GLN   4          HE22      GLN   4  -3.593  11.187  -6.407
   28    H    GLU   5           HN       GLU   5  -7.313  10.193  -4.217
   29    HA   GLU   5           HA       GLU   5  -4.904  11.430  -3.474
   30    HB2  GLU   5           HB2      GLU   5  -7.680  11.901  -2.365
   31    HB3  GLU   5           HB1      GLU   5  -6.331  13.026  -2.292
   32    HG2  GLU   5           HG2      GLU   5  -6.380  13.328  -4.661
   33    HG3  GLU   5           HG1      GLU   5  -7.582  12.052  -4.840
   34    H    GLU   6           HN       GLU   6  -7.416   9.923  -1.474
   35    HA   GLU   6           HA       GLU   6  -5.981  10.132   0.930
   36    HB2  GLU   6           HB2      GLU   6  -8.337   8.433   0.177
   37    HB3  GLU   6           HB1      GLU   6  -7.639   8.446   1.790
   38    HG2  GLU   6           HG2      GLU   6  -8.854  10.780   0.331
   39    HG3  GLU   6           HG1      GLU   6  -9.546   9.911   1.705
   40    H    ILE   7           HN       ILE   7  -6.149   7.540  -1.428
   41    HA   ILE   7           HA       ILE   7  -4.849   5.675   0.245
   42    HB   ILE   7           HB       ILE   7  -5.259   5.698  -2.756
   43   HG12  ILE   7          HG12      ILE   7  -6.503   4.067  -0.531
   44   HG13  ILE   7          HG11      ILE   7  -7.245   5.461  -1.301
   45   HG21  ILE   7          HG21      ILE   7  -3.220   4.409  -2.256
   46   HG22  ILE   7          HG22      ILE   7  -4.531   3.344  -2.759
   47   HG23  ILE   7          HG23      ILE   7  -4.104   3.472  -1.051
   48   HD11  ILE   7          HD11      ILE   7  -6.550   2.861  -2.632
   49   HD12  ILE   7          HD12      ILE   7  -7.291   4.254  -3.415
   50   HD13  ILE   7          HD13      ILE   7  -8.158   3.392  -2.146
   51    H    VAL   8           HN       VAL   8  -3.573   7.491  -2.545
   52    HA   VAL   8           HA       VAL   8  -0.921   6.619  -2.313
   53    HB   VAL   8           HB       VAL   8  -1.987   9.255  -3.395
   54   HG11  VAL   8          HG11      VAL   8   0.122   9.393  -4.643
   55   HG12  VAL   8          HG12      VAL   8   0.704   7.937  -3.835
   56   HG13  VAL   8          HG13      VAL   8   0.420   9.410  -2.903
   57   HG21  VAL   8          HG21      VAL   8  -2.883   7.291  -4.509
   58   HG22  VAL   8          HG22      VAL   8  -1.251   6.673  -4.764
   59   HG23  VAL   8          HG23      VAL   8  -1.768   8.153  -5.568
   60    H    ALA   9           HN       ALA   9  -2.188   9.791  -1.260
   61    HA   ALA   9           HA       ALA   9   0.119  10.576   0.134
   62    HB1  ALA   9           HB1      ALA   9  -1.277  12.339   1.084
   63    HB2  ALA   9           HB2      ALA   9  -2.727  11.494   0.534
   64    HB3  ALA   9           HB3      ALA   9  -1.590  12.150  -0.643
   65    H    GLY  10           HN       GLY  10  -2.606   8.635   1.086
   66    HA2  GLY  10           HA2      GLY  10  -2.149   8.879   3.906
   67    HA3  GLY  10           HA1      GLY  10  -3.234   7.744   3.116
   68    H    LEU  11           HN       LEU  11  -1.587   6.350   1.484
   69    HA   LEU  11           HA       LEU  11  -0.552   4.314   3.009
   70    HB2  LEU  11           HB2      LEU  11  -0.864   4.960   0.317
   71    HB3  LEU  11           HB1      LEU  11   0.851   4.664   0.496
   72    HG   LEU  11           HG       LEU  11  -1.370   2.747   1.212
   73   HD11  LEU  11          HD11      LEU  11   0.570   2.737  -1.094
   74   HD12  LEU  11          HD12      LEU  11  -1.163   3.047  -1.185
   75   HD13  LEU  11          HD13      LEU  11  -0.577   1.451  -0.714
   76   HD21  LEU  11          HD21      LEU  11   0.415   1.091   1.498
   77   HD22  LEU  11          HD22      LEU  11   0.593   2.431   2.632
   78   HD23  LEU  11          HD23      LEU  11   1.623   2.342   1.205
   79    H    ALA  12           HN       ALA  12   1.052   7.026   1.474
   80    HA   ALA  12           HA       ALA  12   3.682   6.354   1.947
   81    HB1  ALA  12           HB1      ALA  12   2.519   9.106   1.798
   82    HB2  ALA  12           HB2      ALA  12   2.957   8.075   0.424
   83    HB3  ALA  12           HB3      ALA  12   4.204   8.636   1.544
   84    H    GLU  13           HN       GLU  13   1.416   7.919   4.131
   85    HA   GLU  13           HA       GLU  13   3.450   8.725   5.946
   86    HB2  GLU  13           HB2      GLU  13   0.487   8.428   6.408
   87    HB3  GLU  13           HB1      GLU  13   1.610   9.172   7.539
   88    HG2  GLU  13           HG2      GLU  13   2.187  10.815   5.750
   89    HG3  GLU  13           HG1      GLU  13   0.879  10.132   4.789
   90    H    ILE  14           HN       ILE  14   1.494   5.861   5.609
   91    HA   ILE  14           HA       ILE  14   2.440   4.758   8.102
   92    HB   ILE  14           HB       ILE  14   0.909   3.424   5.818
   93   HG12  ILE  14          HG12      ILE  14  -0.908   3.188   7.584
   94   HG13  ILE  14          HG11      ILE  14   0.049   4.244   8.608
   95   HG21  ILE  14          HG21      ILE  14   2.315   1.751   6.848
   96   HG22  ILE  14          HG22      ILE  14   0.626   1.465   7.270
   97   HG23  ILE  14          HG23      ILE  14   1.718   2.196   8.446
   98   HD11  ILE  14          HD11      ILE  14  -1.756   5.446   7.546
   99   HD12  ILE  14          HD12      ILE  14  -1.167   4.959   5.953
  100   HD13  ILE  14          HD13      ILE  14  -0.197   6.033   6.962
  101    H    VAL  15           HN       VAL  15   3.210   4.524   4.699
  102    HA   VAL  15           HA       VAL  15   5.192   2.566   4.816
  103    HB   VAL  15           HB       VAL  15   4.912   4.934   2.934
  104   HG11  VAL  15          HG11      VAL  15   6.809   2.586   2.725
  105   HG12  VAL  15          HG12      VAL  15   7.250   4.272   3.017
  106   HG13  VAL  15          HG13      VAL  15   6.532   3.807   1.475
  107   HG21  VAL  15          HG21      VAL  15   4.165   3.228   1.345
  108   HG22  VAL  15          HG22      VAL  15   3.150   3.265   2.788
  109   HG23  VAL  15          HG23      VAL  15   4.354   1.990   2.589
  110    H    ASN  16           HN       ASN  16   5.293   5.986   5.456
  111    HA   ASN  16           HA       ASN  16   8.066   6.302   5.706
  112    HB2  ASN  16           HB2      ASN  16   6.287   8.077   5.441
  113    HB3  ASN  16           HB1      ASN  16   5.941   7.877   7.152
  114   HD21  ASN  16          HD21      ASN  16   8.254   8.834   4.817
  115   HD22  ASN  16          HD22      ASN  16   9.218   9.853   5.825
  116    H    GLU  17           HN       GLU  17   5.696   5.005   7.838
  117    HA   GLU  17           HA       GLU  17   7.280   5.153  10.248
  118    HB2  GLU  17           HB2      GLU  17   4.759   3.628   9.589
  119    HB3  GLU  17           HB1      GLU  17   5.463   3.782  11.194
  120    HG2  GLU  17           HG2      GLU  17   4.619   6.086   9.524
  121    HG3  GLU  17           HG1      GLU  17   3.529   5.298  10.673
  122    H    ILE  18           HN       ILE  18   5.995   2.549   8.237
  123    HA   ILE  18           HA       ILE  18   7.411   0.449   9.524
  124    HB   ILE  18           HB       ILE  18   6.260   0.435   6.734
  125   HG12  ILE  18          HG12      ILE  18   4.544   1.210   8.336
  126   HG13  ILE  18          HG11      ILE  18   4.168  -0.381   7.699
  127   HG21  ILE  18          HG21      ILE  18   5.983  -1.978   7.123
  128   HG22  ILE  18          HG22      ILE  18   6.778  -1.809   8.688
  129   HG23  ILE  18          HG23      ILE  18   7.673  -1.477   7.205
  130   HD11  ILE  18          HD11      ILE  18   5.295   0.227  10.428
  131   HD12  ILE  18          HD12      ILE  18   4.939  -1.385   9.786
  132   HD13  ILE  18          HD13      ILE  18   3.631  -0.224  10.026
  133    H    ALA  19           HN       ALA  19   7.886   2.069   6.388
  134    HA   ALA  19           HA       ALA  19  10.401   0.593   6.072
  135    HB1  ALA  19           HB1      ALA  19   8.869   2.186   4.015
  136    HB2  ALA  19           HB2      ALA  19   8.807   0.435   4.213
  137    HB3  ALA  19           HB3      ALA  19  10.309   1.215   3.716
  138    H    GLY  20           HN       GLY  20   9.145   3.883   5.687
  139    HA2  GLY  20           HA2      GLY  20  10.455   5.652   6.819
  140    HA3  GLY  20           HA1      GLY  20  11.895   4.831   6.238
  141    H    ILE  21           HN       ILE  21   9.672   4.605   3.858
  142    HA   ILE  21           HA       ILE  21  10.956   6.438   2.137
  143    HB   ILE  21           HB       ILE  21   8.367   4.884   1.833
  144   HG12  ILE  21          HG12      ILE  21  10.377   3.517   1.926
  145   HG13  ILE  21          HG11      ILE  21   9.671   3.471   0.314
  146   HG21  ILE  21          HG21      ILE  21   8.407   5.378  -0.570
  147   HG22  ILE  21          HG22      ILE  21   9.760   6.481  -0.315
  148   HG23  ILE  21          HG23      ILE  21   8.187   6.838   0.398
  149   HD11  ILE  21          HD11      ILE  21  11.338   5.078  -0.458
  150   HD12  ILE  21          HD12      ILE  21  12.086   3.628   0.213
  151   HD13  ILE  21          HD13      ILE  21  12.046   5.119   1.158
  152    HA   PRO  22           HA       PRO  22   9.227  10.378   3.118
  153    HB2  PRO  22           HB2      PRO  22   9.167  10.581   0.139
  154    HB3  PRO  22           HB1      PRO  22   9.761  11.743   1.333
  155    HG2  PRO  22           HG2      PRO  22  11.473  10.243   0.004
  156    HG3  PRO  22           HG1      PRO  22  11.701  10.534   1.737
  157    HD2  PRO  22           HD2      PRO  22  10.741   8.097   0.333
  158    HD3  PRO  22           HD1      PRO  22  11.718   8.243   1.807
  159    H    VAL  23           HN       VAL  23   7.358  11.458   3.157
  160    HA   VAL  23           HA       VAL  23   5.012   9.860   2.846
  161    HB   VAL  23           HB       VAL  23   3.811  11.753   3.894
  162   HG11  VAL  23          HG11      VAL  23   4.865  10.058   5.276
  163   HG12  VAL  23          HG12      VAL  23   4.974  11.643   6.041
  164   HG13  VAL  23          HG13      VAL  23   6.384  10.951   5.238
  165   HG21  VAL  23          HG21      VAL  23   5.070  13.578   2.917
  166   HG22  VAL  23          HG22      VAL  23   6.518  13.045   3.744
  167   HG23  VAL  23          HG23      VAL  23   5.160  13.690   4.686
  168    H    GLU  24           HN       GLU  24   6.445  11.426   0.494
  169    HA   GLU  24           HA       GLU  24   3.897  11.878  -0.943
  170    HB2  GLU  24           HB2      GLU  24   6.398  13.553  -1.236
  171    HB3  GLU  24           HB1      GLU  24   4.894  13.768  -2.112
  172    HG2  GLU  24           HG2      GLU  24   3.779  14.493  -0.128
  173    HG3  GLU  24           HG1      GLU  24   5.185  14.092   0.860
  174    H    ASP  25           HN       ASP  25   6.431   9.930  -0.634
  175    HA   ASP  25           HA       ASP  25   7.177  10.047  -3.453
  176    HB2  ASP  25           HB2      ASP  25   8.935  10.538  -1.811
  177    HB3  ASP  25           HB1      ASP  25   8.809   8.909  -1.182
  178    H    VAL  26           HN       VAL  26   5.162   8.384  -1.615
  179    HA   VAL  26           HA       VAL  26   5.685   5.815  -2.853
  180    HB   VAL  26           HB       VAL  26   3.497   6.677  -0.893
  181   HG11  VAL  26          HG11      VAL  26   4.352   3.913  -1.740
  182   HG12  VAL  26          HG12      VAL  26   2.858   4.722  -2.206
  183   HG13  VAL  26          HG13      VAL  26   3.139   4.296  -0.519
  184   HG21  VAL  26          HG21      VAL  26   6.057   5.187  -0.369
  185   HG22  VAL  26          HG22      VAL  26   4.780   5.493   0.809
  186   HG23  VAL  26          HG23      VAL  26   5.688   6.840   0.122
  187    H    LYS  27           HN       LYS  27   5.480   6.872  -4.819
  188    HA   LYS  27           HA       LYS  27   3.043   8.230  -5.555
  189    HB2  LYS  27           HB2      LYS  27   5.540   7.693  -7.152
  190    HB3  LYS  27           HB1      LYS  27   4.184   8.720  -7.604
  191    HG2  LYS  27           HG2      LYS  27   4.648  10.237  -5.819
  192    HG3  LYS  27           HG1      LYS  27   5.938   9.189  -5.221
  193    HD2  LYS  27           HD2      LYS  27   7.213   9.535  -7.237
  194    HD3  LYS  27           HD1      LYS  27   5.887  10.450  -7.953
  195    HE2  LYS  27           HE2      LYS  27   7.669  11.909  -7.125
  196    HE3  LYS  27           HE1      LYS  27   6.146  12.186  -6.289
  197    HZ1  LYS  27           HZ1      LYS  27   8.068  12.144  -4.787
  198    HZ2  LYS  27           HZ2      LYS  27   8.383  10.532  -5.152
  199    HZ3  LYS  27           HZ3      LYS  27   6.929  10.998  -4.423
  200    H    LEU  28           HN       LEU  28   1.889   7.766  -7.440
  201    HA   LEU  28           HA       LEU  28   0.786   5.269  -7.629
  202    HB2  LEU  28           HB2      LEU  28   0.845   7.483  -9.651
  203    HB3  LEU  28           HB1      LEU  28  -0.033   5.997  -9.938
  204    HG   LEU  28           HG       LEU  28  -0.558   7.820  -7.579
  205   HD11  LEU  28          HD11      LEU  28  -1.104   8.960  -9.671
  206   HD12  LEU  28          HD12      LEU  28  -2.571   8.481  -8.801
  207   HD13  LEU  28          HD13      LEU  28  -2.031   7.550 -10.196
  208   HD21  LEU  28          HD21      LEU  28  -2.596   6.530  -7.364
  209   HD22  LEU  28          HD22      LEU  28  -1.196   5.460  -7.273
  210   HD23  LEU  28          HD23      LEU  28  -2.145   5.543  -8.753
  211    H    ASP  29           HN       ASP  29   3.462   6.454  -9.601
  212    HA   ASP  29           HA       ASP  29   3.512   3.885 -10.984
  213    HB2  ASP  29           HB2      ASP  29   4.987   6.446 -11.521
  214    HB3  ASP  29           HB1      ASP  29   5.299   4.948 -12.386
  215    H    LYS  30           HN       LYS  30   4.488   4.385  -8.114
  216    HA   LYS  30           HA       LYS  30   7.230   3.468  -8.536
  217    HB2  LYS  30           HB2      LYS  30   5.845   4.478  -6.043
  218    HB3  LYS  30           HB1      LYS  30   7.492   3.901  -6.118
  219    HG2  LYS  30           HG2      LYS  30   6.487   6.338  -7.588
  220    HG3  LYS  30           HG1      LYS  30   7.219   6.382  -5.993
  221    HD2  LYS  30           HD2      LYS  30   9.004   6.922  -7.366
  222    HD3  LYS  30           HD1      LYS  30   9.215   5.189  -7.157
  223    HE2  LYS  30           HE2      LYS  30   8.132   4.836  -9.383
  224    HE3  LYS  30           HE1      LYS  30   7.995   6.585  -9.541
  225    HZ1  LYS  30           HZ1      LYS  30   9.955   5.824 -10.703
  226    HZ2  LYS  30           HZ2      LYS  30  10.485   5.009  -9.336
  227    HZ3  LYS  30           HZ3      LYS  30  10.418   6.704  -9.325
  228    H    SER  31           HN       SER  31   7.548   1.430  -8.361
  229    HA   SER  31           HA       SER  31   5.426  -0.179  -7.229
  230    HB2  SER  31           HB2      SER  31   6.437  -0.907  -9.385
  231    HB3  SER  31           HB1      SER  31   8.003  -1.052  -8.599
  232    HG   SER  31           HG       SER  31   7.266  -3.072  -8.429
  233    H    PHE  32           HN       PHE  32   5.647  -1.281  -5.415
  234    HA   PHE  32           HA       PHE  32   7.142  -0.187  -3.336
  235    HB2  PHE  32           HB2      PHE  32   5.845  -2.878  -3.589
  236    HB3  PHE  32           HB1      PHE  32   6.537  -2.301  -2.085
  237    HD1  PHE  32           HD1      PHE  32   5.434  -0.360  -0.939
  238    HD2  PHE  32           HD2      PHE  32   3.782  -2.127  -4.429
  239    HE1  PHE  32           HE1      PHE  32   3.285   0.766  -0.492
  240    HE2  PHE  32           HE2      PHE  32   1.640  -1.017  -3.994
  241    HZ   PHE  32           HZ       PHE  32   1.380   0.428  -2.039
  242    H    THR  33           HN       THR  33   7.549  -3.388  -4.720
  243    HA   THR  33           HA       THR  33  10.207  -3.412  -3.624
  244    HB   THR  33           HB       THR  33   8.598  -5.673  -4.840
  245    HG1  THR  33           HG1      THR  33   7.485  -5.620  -2.996
  246   HG21  THR  33          HG21      THR  33  10.772  -5.511  -2.799
  247   HG22  THR  33          HG22      THR  33  11.009  -6.065  -4.477
  248   HG23  THR  33          HG23      THR  33   9.991  -6.997  -3.340
  249    H    ASP  34           HN       ASP  34  10.734  -1.826  -5.236
  250    HA   ASP  34           HA       ASP  34  12.245  -2.746  -7.413
  251    HB2  ASP  34           HB2      ASP  34  10.009  -3.037  -8.515
  252    HB3  ASP  34           HB1      ASP  34   9.683  -1.338  -8.184
  253    H    ASP  35           HN       ASP  35  10.154  -0.014  -6.466
  254    HA   ASP  35           HA       ASP  35  12.411   1.833  -6.841
  255    HB2  ASP  35           HB2      ASP  35   9.462   2.368  -6.421
  256    HB3  ASP  35           HB1      ASP  35  10.687   3.615  -6.464
  257    H    LEU  36           HN       LEU  36   9.766   1.206  -4.636
  258    HA   LEU  36           HA       LEU  36  10.639   3.102  -2.738
  259    HB2  LEU  36           HB2      LEU  36   8.542   0.976  -2.479
  260    HB3  LEU  36           HB1      LEU  36   8.755   2.353  -1.414
  261    HG   LEU  36           HG       LEU  36   7.963   2.438  -4.317
  262   HD11  LEU  36          HD11      LEU  36   6.420   3.073  -1.819
  263   HD12  LEU  36          HD12      LEU  36   6.187   1.672  -2.866
  264   HD13  LEU  36          HD13      LEU  36   5.847   3.295  -3.470
  265   HD21  LEU  36          HD21      LEU  36   7.691   4.852  -3.969
  266   HD22  LEU  36          HD22      LEU  36   9.360   4.314  -3.770
  267   HD23  LEU  36          HD23      LEU  36   8.381   4.681  -2.347
  268    H    ASP  37           HN       ASP  37  10.438  -0.430  -2.523
  269    HA   ASP  37           HA       ASP  37  11.232  -1.924  -1.085
  270    HB2  ASP  37           HB2      ASP  37  13.537  -1.271  -1.323
  271    HB3  ASP  37           HB1      ASP  37  13.278   0.225  -0.436
  272    H    VAL  38           HN       VAL  38   9.571  -2.274   0.036
  273    HA   VAL  38           HA       VAL  38   9.054  -0.529   2.330
  274    HB   VAL  38           HB       VAL  38   7.323  -0.525   0.503
  275   HG11  VAL  38          HG11      VAL  38   7.450  -2.752  -0.284
  276   HG12  VAL  38          HG12      VAL  38   5.802  -2.412   0.244
  277   HG13  VAL  38          HG13      VAL  38   6.871  -3.382   1.259
  278   HG21  VAL  38          HG21      VAL  38   6.369  -1.551   3.171
  279   HG22  VAL  38          HG22      VAL  38   5.352  -0.763   1.964
  280   HG23  VAL  38          HG23      VAL  38   6.664   0.132   2.732
  281    H    ASP  39           HN       ASP  39  10.806  -2.691   1.883
  282    HA   ASP  39           HA       ASP  39  11.829  -4.282   3.026
  283    HB2  ASP  39           HB2      ASP  39  11.067  -3.009   5.041
  284    HB3  ASP  39           HB1      ASP  39   9.665  -4.066   5.125
  285    H    SER  40           HN       SER  40   8.801  -4.668   1.842
  286    HA   SER  40           HA       SER  40   7.553  -6.275   0.990
  287    HB2  SER  40           HB2      SER  40   8.643  -8.256   0.012
  288    HB3  SER  40           HB1      SER  40   9.527  -6.776  -0.312
  289    H    LEU  41           HN       LEU  41   9.433  -7.808   3.538
  290    HA   LEU  41           HA       LEU  41   7.177  -9.525   4.120
  291    HB2  LEU  41           HB2      LEU  41   8.587 -10.521   5.899
  292    HB3  LEU  41           HB1      LEU  41   9.322 -10.582   4.317
  293    HG   LEU  41           HG       LEU  41  10.631  -8.484   5.120
  294   HD11  LEU  41          HD11      LEU  41   9.803  -9.627   7.779
  295   HD12  LEU  41          HD12      LEU  41   9.340  -8.066   7.097
  296   HD13  LEU  41          HD13      LEU  41  11.029  -8.373   7.509
  297   HD21  LEU  41          HD21      LEU  41  11.648 -10.635   4.656
  298   HD22  LEU  41          HD22      LEU  41  11.180 -11.216   6.257
  299   HD23  LEU  41          HD23      LEU  41  12.354  -9.912   6.101
  300    H    SER  42           HN       SER  42   8.767  -6.742   5.590
  301    HA   SER  42           HA       SER  42   6.873  -6.646   7.713
  302    HB2  SER  42           HB2      SER  42   8.737  -4.455   6.738
  303    HB3  SER  42           HB1      SER  42   7.869  -4.463   8.275
  304    HG   SER  42           HG       SER  42  10.043  -5.974   7.401
  305    H    MET  43           HN       MET  43   6.850  -5.924   4.489
  306    HA   MET  43           HA       MET  43   5.388  -3.685   4.148
  307    HB2  MET  43           HB2      MET  43   6.184  -4.738   2.175
  308    HB3  MET  43           HB1      MET  43   5.368  -6.244   2.564
  309    HG2  MET  43           HG2      MET  43   3.847  -3.768   2.032
  310    HG3  MET  43           HG1      MET  43   4.486  -4.724   0.679
  311    HE1  MET  43           HE1      MET  43   4.074  -7.686   1.757
  312    HE2  MET  43           HE2      MET  43   3.605  -7.148   0.145
  313    HE3  MET  43           HE3      MET  43   2.458  -8.049   1.140
  314    H    VAL  44           HN       VAL  44   4.255  -6.878   4.829
  315    HA   VAL  44           HA       VAL  44   1.561  -6.570   4.553
  316    HB   VAL  44           HB       VAL  44   2.868  -8.334   6.650
  317   HG11  VAL  44          HG11      VAL  44   0.894  -9.766   6.422
  318   HG12  VAL  44          HG12      VAL  44   0.172  -8.590   5.322
  319   HG13  VAL  44          HG13      VAL  44   0.468  -8.158   7.006
  320   HG21  VAL  44          HG21      VAL  44   2.192  -8.920   3.770
  321   HG22  VAL  44          HG22      VAL  44   2.814 -10.087   4.939
  322   HG23  VAL  44          HG23      VAL  44   3.810  -8.713   4.446
  323    H    GLU  45           HN       GLU  45   3.603  -5.449   7.114
  324    HA   GLU  45           HA       GLU  45   1.534  -4.980   9.015
  325    HB2  GLU  45           HB2      GLU  45   4.395  -4.046   8.950
  326    HB3  GLU  45           HB1      GLU  45   3.308  -3.917  10.332
  327    HG2  GLU  45           HG2      GLU  45   3.082  -6.343  10.392
  328    HG3  GLU  45           HG1      GLU  45   4.153  -6.466   9.009
  329    H    VAL  46           HN       VAL  46   3.155  -3.156   6.508
  330    HA   VAL  46           HA       VAL  46   2.125  -0.579   7.043
  331    HB   VAL  46           HB       VAL  46   2.431  -1.875   4.302
  332   HG11  VAL  46          HG11      VAL  46   1.189   0.207   4.204
  333   HG12  VAL  46          HG12      VAL  46   2.769   0.412   3.457
  334   HG13  VAL  46          HG13      VAL  46   2.472   1.041   5.074
  335   HG21  VAL  46          HG21      VAL  46   4.676  -0.900   4.205
  336   HG22  VAL  46          HG22      VAL  46   4.521  -2.081   5.507
  337   HG23  VAL  46          HG23      VAL  46   4.501  -0.357   5.872
  338    H    VAL  47           HN       VAL  47   1.016  -3.296   5.093
  339    HA   VAL  47           HA       VAL  47  -1.441  -2.462   4.210
  340    HB   VAL  47           HB       VAL  47  -0.721  -5.269   5.110
  341   HG11  VAL  47          HG11      VAL  47  -3.141  -4.994   4.812
  342   HG12  VAL  47          HG12      VAL  47  -2.456  -6.007   3.541
  343   HG13  VAL  47          HG13      VAL  47  -2.871  -4.328   3.202
  344   HG21  VAL  47          HG21      VAL  47  -0.501  -3.936   2.425
  345   HG22  VAL  47          HG22      VAL  47  -0.174  -5.636   2.760
  346   HG23  VAL  47          HG23      VAL  47   0.835  -4.382   3.483
  347    H    VAL  48           HN       VAL  48  -0.817  -4.202   7.267
  348    HA   VAL  48           HA       VAL  48  -3.314  -4.344   8.408
  349    HB   VAL  48           HB       VAL  48  -0.776  -3.490   9.848
  350   HG11  VAL  48          HG11      VAL  48  -3.303  -4.704  10.965
  351   HG12  VAL  48          HG12      VAL  48  -2.739  -3.054  11.221
  352   HG13  VAL  48          HG13      VAL  48  -1.819  -4.411  11.872
  353   HG21  VAL  48          HG21      VAL  48  -0.502  -5.596   8.663
  354   HG22  VAL  48          HG22      VAL  48  -1.957  -6.232   9.426
  355   HG23  VAL  48          HG23      VAL  48  -0.534  -5.866  10.406
  356    H    ALA  49           HN       ALA  49  -1.188  -1.526   8.588
  357    HA   ALA  49           HA       ALA  49  -3.097   0.053  10.025
  358    HB1  ALA  49           HB1      ALA  49  -1.462   1.849   9.863
  359    HB2  ALA  49           HB2      ALA  49  -0.511   0.901   8.717
  360    HB3  ALA  49           HB3      ALA  49  -0.688   0.352  10.383
  361    H    ALA  50           HN       ALA  50  -2.177  -0.387   6.721
  362    HA   ALA  50           HA       ALA  50  -3.555   1.853   5.672
  363    HB1  ALA  50           HB1      ALA  50  -2.840  -0.758   4.333
  364    HB2  ALA  50           HB2      ALA  50  -1.817   0.677   4.400
  365    HB3  ALA  50           HB3      ALA  50  -3.340   0.720   3.510
  366    H    GLU  51           HN       GLU  51  -4.424  -1.507   6.288
  367    HA   GLU  51           HA       GLU  51  -6.996  -1.523   5.256
  368    HB2  GLU  51           HB2      GLU  51  -5.965  -2.958   7.725
  369    HB3  GLU  51           HB1      GLU  51  -7.458  -3.351   6.887
  370    HG2  GLU  51           HG2      GLU  51  -6.212  -4.020   4.919
  371    HG3  GLU  51           HG1      GLU  51  -4.703  -3.537   5.689
  372    H    GLU  52           HN       GLU  52  -5.797  -0.809   8.442
  373    HA   GLU  52           HA       GLU  52  -8.036  -0.003   9.816
  374    HB2  GLU  52           HB2      GLU  52  -5.860  -0.401  10.813
  375    HB3  GLU  52           HB1      GLU  52  -5.180   0.965   9.954
  376    HG2  GLU  52           HG2      GLU  52  -5.489   1.519  12.255
  377    HG3  GLU  52           HG1      GLU  52  -6.607   2.466  11.281
  378    H    ARG  53           HN       ARG  53  -5.839   1.882   7.793
  379    HA   ARG  53           HA       ARG  53  -6.986   4.426   8.321
  380    HB2  ARG  53           HB2      ARG  53  -4.600   3.930   7.650
  381    HB3  ARG  53           HB1      ARG  53  -5.187   3.704   6.014
  382    HG2  ARG  53           HG2      ARG  53  -4.305   5.884   6.112
  383    HG3  ARG  53           HG1      ARG  53  -6.055   6.086   6.127
  384    HD2  ARG  53           HD2      ARG  53  -4.256   6.141   8.569
  385    HD3  ARG  53           HD1      ARG  53  -4.890   7.566   7.753
  386    HE   ARG  53           HE       ARG  53  -7.092   6.870   8.413
  387   HH11  ARG  53          HH11      ARG  53  -4.358   5.457  10.246
  388   HH12  ARG  53          HH12      ARG  53  -5.308   5.042  11.596
  389   HH21  ARG  53          HH21      ARG  53  -8.359   6.276  10.299
  390   HH22  ARG  53          HH22      ARG  53  -7.670   5.423  11.597
  391    H    PHE  54           HN       PHE  54  -7.186   2.247   5.505
  392    HA   PHE  54           HA       PHE  54  -8.776   4.204   4.042
  393    HB2  PHE  54           HB2      PHE  54  -7.910   1.454   3.170
  394    HB3  PHE  54           HB1      PHE  54  -8.615   2.703   2.158
  395    HD1  PHE  54           HD1      PHE  54  -7.164   5.091   2.895
  396    HD2  PHE  54           HD2      PHE  54  -5.810   1.097   2.457
  397    HE1  PHE  54           HE1      PHE  54  -4.919   5.935   2.385
  398    HE2  PHE  54           HE2      PHE  54  -3.526   1.929   1.945
  399    HZ   PHE  54           HZ       PHE  54  -3.087   4.350   1.914
  400    H    ASP  55           HN       ASP  55  -9.570   1.944   6.289
  401    HA   ASP  55           HA       ASP  55 -11.460   0.811   6.861
  402    HB2  ASP  55           HB2      ASP  55 -12.663   2.949   6.294
  403    HB3  ASP  55           HB1      ASP  55 -12.773   2.435   4.622
  404    H    VAL  56           HN       VAL  56  -9.572  -0.102   4.970
  405    HA   VAL  56           HA       VAL  56 -11.214  -1.855   3.321
  406    HB   VAL  56           HB       VAL  56  -9.478  -0.348   2.150
  407   HG11  VAL  56          HG11      VAL  56  -7.510  -2.268   3.311
  408   HG12  VAL  56          HG12      VAL  56  -7.577  -0.513   3.561
  409   HG13  VAL  56          HG13      VAL  56  -7.186  -1.187   1.969
  410   HG21  VAL  56          HG21      VAL  56 -10.493  -2.176   0.941
  411   HG22  VAL  56          HG22      VAL  56  -9.321  -3.310   1.613
  412   HG23  VAL  56          HG23      VAL  56  -8.788  -2.046   0.504
  413    H    LYS  57           HN       LYS  57  -9.474  -3.874   2.923
  414    HA   LYS  57           HA       LYS  57  -8.249  -4.851   5.264
  415    HB2  LYS  57           HB2      LYS  57 -10.836  -5.141   5.584
  416    HB3  LYS  57           HB1      LYS  57 -10.671  -6.364   4.321
  417    HG2  LYS  57           HG2      LYS  57 -10.614  -7.440   6.460
  418    HG3  LYS  57           HG1      LYS  57  -9.006  -7.533   5.724
  419    HD2  LYS  57           HD2      LYS  57  -8.381  -5.492   7.048
  420    HD3  LYS  57           HD1      LYS  57  -9.926  -5.632   7.878
  421    HE2  LYS  57           HE2      LYS  57  -8.122  -6.625   9.183
  422    HE3  LYS  57           HE1      LYS  57  -9.297  -7.842   8.689
  423    HZ1  LYS  57           HZ1      LYS  57  -6.800  -7.308   7.196
  424    HZ2  LYS  57           HZ2      LYS  57  -7.826  -8.644   7.023
  425    HZ3  LYS  57           HZ3      LYS  57  -6.892  -8.468   8.414
  426    H    ILE  58           HN       ILE  58  -6.632  -5.915   4.284
  427    HA   ILE  58           HA       ILE  58  -7.226  -7.269   1.772
  428    HB   ILE  58           HB       ILE  58  -4.663  -5.662   2.029
  429   HG12  ILE  58          HG12      ILE  58  -7.196  -4.734   0.634
  430   HG13  ILE  58          HG11      ILE  58  -6.600  -4.077   2.151
  431   HG21  ILE  58          HG21      ILE  58  -4.801  -7.497   0.365
  432   HG22  ILE  58          HG22      ILE  58  -4.669  -5.918  -0.420
  433   HG23  ILE  58          HG23      ILE  58  -6.231  -6.721  -0.327
  434   HD11  ILE  58          HD11      ILE  58  -6.040  -2.637   0.284
  435   HD12  ILE  58          HD12      ILE  58  -5.187  -3.964  -0.503
  436   HD13  ILE  58          HD13      ILE  58  -4.579  -3.302   1.013
  437    HA   PRO  59           HA       PRO  59  -5.013 -10.067   4.500
  438    HB2  PRO  59           HB2      PRO  59  -5.685 -12.331   3.138
  439    HB3  PRO  59           HB1      PRO  59  -6.779 -11.512   4.273
  440    HG2  PRO  59           HG2      PRO  59  -6.705 -11.357   1.295
  441    HG3  PRO  59           HG1      PRO  59  -8.099 -11.535   2.377
  442    HD2  PRO  59           HD2      PRO  59  -7.379  -9.164   1.301
  443    HD3  PRO  59           HD1      PRO  59  -8.133  -9.293   2.903
  444    H    ASP  60           HN       ASP  60  -3.278 -11.690   4.069
  445    HA   ASP  60           HA       ASP  60  -1.427 -10.485   2.341
  446    HB2  ASP  60           HB2      ASP  60   0.135 -12.285   2.922
  447    HB3  ASP  60           HB1      ASP  60  -0.532 -11.463   4.325
  448    H    ASP  61           HN       ASP  61  -3.547 -13.163   1.905
  449    HA   ASP  61           HA       ASP  61  -2.332 -14.209  -0.439
  450    HB2  ASP  61           HB2      ASP  61  -4.048 -15.473   0.734
  451    HB3  ASP  61           HB1      ASP  61  -5.229 -14.203   0.443
  452    H    ASP  62           HN       ASP  62  -4.517 -11.575   0.128
  453    HA   ASP  62           HA       ASP  62  -5.041 -11.053  -2.654
  454    HB2  ASP  62           HB2      ASP  62  -5.829  -9.681  -0.098
  455    HB3  ASP  62           HB1      ASP  62  -6.097  -8.916  -1.657
  456    H    VAL  63           HN       VAL  63  -2.987  -9.676  -0.131
  457    HA   VAL  63           HA       VAL  63  -2.306  -7.378  -1.594
  458    HB   VAL  63           HB       VAL  63  -1.978  -7.632   0.887
  459   HG11  VAL  63          HG11      VAL  63   0.537  -9.082   0.127
  460   HG12  VAL  63          HG12      VAL  63  -0.879  -9.797   0.877
  461   HG13  VAL  63          HG13      VAL  63   0.066  -8.585   1.756
  462   HG21  VAL  63          HG21      VAL  63  -1.062  -5.730  -0.294
  463   HG22  VAL  63          HG22      VAL  63   0.397  -6.650  -0.674
  464   HG23  VAL  63          HG23      VAL  63   0.027  -6.238   0.997
  465    H    LYS  64           HN       LYS  64  -1.203 -10.592  -1.902
  466    HA   LYS  64           HA       LYS  64   1.333 -10.190  -2.989
  467    HB2  LYS  64           HB2      LYS  64  -0.620 -12.424  -3.565
  468    HB3  LYS  64           HB1      LYS  64   1.085 -12.446  -3.997
  469    HG2  LYS  64           HG2      LYS  64   1.687 -12.304  -1.652
  470    HG3  LYS  64           HG1      LYS  64  -0.018 -12.238  -1.216
  471    HD2  LYS  64           HD2      LYS  64  -0.295 -14.469  -2.291
  472    HD3  LYS  64           HD1      LYS  64   1.462 -14.527  -2.488
  473    HE2  LYS  64           HE2      LYS  64   1.745 -14.273  -0.081
  474    HE3  LYS  64           HE1      LYS  64  -0.002 -14.204   0.123
  475    HZ1  LYS  64           HZ1      LYS  64   0.554 -16.368   0.612
  476    HZ2  LYS  64           HZ2      LYS  64   1.692 -16.488  -0.624
  477    HZ3  LYS  64           HZ3      LYS  64   0.056 -16.515  -1.005
  478    H    ASN  65           HN       ASN  65  -1.695  -9.421  -4.229
  479    HA   ASN  65           HA       ASN  65  -1.098  -9.774  -7.054
  480    HB2  ASN  65           HB2      ASN  65  -3.501  -8.491  -5.740
  481    HB3  ASN  65           HB1      ASN  65  -3.352  -8.941  -7.432
  482   HD21  ASN  65          HD21      ASN  65  -2.058 -11.516  -6.883
  483   HD22  ASN  65          HD22      ASN  65  -3.260 -12.520  -6.176
  484    H    LEU  66           HN       LEU  66  -0.221  -7.517  -4.813
  485    HA   LEU  66           HA       LEU  66  -0.773  -5.263  -6.524
  486    HB2  LEU  66           HB2      LEU  66   0.299  -5.385  -3.721
  487    HB3  LEU  66           HB1      LEU  66   0.092  -3.893  -4.626
  488    HG   LEU  66           HG       LEU  66  -2.120  -5.818  -3.903
  489   HD11  LEU  66          HD11      LEU  66  -1.332  -4.562  -1.988
  490   HD12  LEU  66          HD12      LEU  66  -2.936  -4.027  -2.484
  491   HD13  LEU  66          HD13      LEU  66  -1.513  -3.059  -2.888
  492   HD21  LEU  66          HD21      LEU  66  -3.598  -4.128  -4.835
  493   HD22  LEU  66          HD22      LEU  66  -2.485  -4.763  -6.049
  494   HD23  LEU  66          HD23      LEU  66  -2.199  -3.178  -5.332
  495    H    LYS  67           HN       LYS  67   0.926  -3.579  -6.795
  496    HA   LYS  67           HA       LYS  67   3.563  -4.676  -7.265
  497    HB2  LYS  67           HB2      LYS  67   2.316  -5.228  -9.236
  498    HB3  LYS  67           HB1      LYS  67   1.638  -3.615  -9.312
  499    HG2  LYS  67           HG2      LYS  67   4.038  -2.836  -9.615
  500    HG3  LYS  67           HG1      LYS  67   4.384  -4.540  -9.999
  501    HD2  LYS  67           HD2      LYS  67   2.579  -4.496 -11.658
  502    HD3  LYS  67           HD1      LYS  67   2.307  -2.796 -11.237
  503    HE2  LYS  67           HE2      LYS  67   4.529  -2.260 -11.937
  504    HE3  LYS  67           HE1      LYS  67   4.809  -3.941 -12.412
  505    HZ1  LYS  67           HZ1      LYS  67   2.863  -3.690 -13.951
  506    HZ2  LYS  67           HZ2      LYS  67   4.173  -2.669 -14.342
  507    HZ3  LYS  67           HZ3      LYS  67   2.835  -2.051 -13.543
  508    H    THR  68           HN       THR  68   1.757  -1.853  -8.544
  509    HA   THR  68           HA       THR  68   3.668  -0.101  -7.173
  510    HB   THR  68           HB       THR  68   2.851   1.664  -8.693
  511    HG1  THR  68           HG1      THR  68   1.203  -0.361  -9.885
  512   HG21  THR  68          HG21      THR  68   3.522  -0.871 -10.211
  513   HG22  THR  68          HG22      THR  68   4.690   0.251  -9.517
  514   HG23  THR  68          HG23      THR  68   3.651   0.769 -10.845
  515    H    VAL  69           HN       VAL  69   2.334   2.164  -6.680
  516    HA   VAL  69           HA       VAL  69   0.148   1.193  -5.150
  517    HB   VAL  69           HB       VAL  69  -0.170   3.239  -4.043
  518   HG11  VAL  69          HG11      VAL  69   2.738   2.720  -4.293
  519   HG12  VAL  69          HG12      VAL  69   1.558   1.978  -3.198
  520   HG13  VAL  69          HG13      VAL  69   1.958   3.689  -3.034
  521   HG21  VAL  69          HG21      VAL  69   1.099   5.278  -4.501
  522   HG22  VAL  69          HG22      VAL  69  -0.015   4.824  -5.782
  523   HG23  VAL  69          HG23      VAL  69   1.718   4.529  -5.973
  524    H    GLY  70           HN       GLY  70   0.521   2.191  -8.252
  525    HA2  GLY  70           HA2      GLY  70  -1.987   3.483  -8.634
  526    HA3  GLY  70           HA1      GLY  70  -1.024   2.659  -9.871
  527    H    ASP  71           HN       ASP  71  -0.719   0.265  -8.929
  528    HA   ASP  71           HA       ASP  71  -3.082  -1.170  -9.424
  529    HB2  ASP  71           HB2      ASP  71  -0.616  -2.075  -7.916
  530    HB3  ASP  71           HB1      ASP  71  -1.886  -3.135  -8.507
  531    H    ALA  72           HN       ALA  72  -1.383  -0.327  -6.469
  532    HA   ALA  72           HA       ALA  72  -3.045  -1.648  -4.669
  533    HB1  ALA  72           HB1      ALA  72  -1.479   0.864  -4.112
  534    HB2  ALA  72           HB2      ALA  72  -0.814  -0.771  -4.085
  535    HB3  ALA  72           HB3      ALA  72  -2.061  -0.305  -2.926
  536    H    THR  73           HN       THR  73  -3.180   1.734  -5.770
  537    HA   THR  73           HA       THR  73  -5.203   2.635  -4.184
  538    HB   THR  73           HB       THR  73  -4.657   3.372  -7.078
  539    HG1  THR  73           HG1      THR  73  -2.908   3.782  -5.684
  540   HG21  THR  73          HG21      THR  73  -6.904   4.088  -6.401
  541   HG22  THR  73          HG22      THR  73  -5.832   5.483  -6.558
  542   HG23  THR  73          HG23      THR  73  -6.236   4.846  -4.961
  543    H    LYS  74           HN       LYS  74  -5.611   1.391  -7.509
  544    HA   LYS  74           HA       LYS  74  -8.394   1.319  -7.567
  545    HB2  LYS  74           HB2      LYS  74  -6.280  -0.160  -9.083
  546    HB3  LYS  74           HB1      LYS  74  -7.959  -0.621  -9.270
  547    HG2  LYS  74           HG2      LYS  74  -7.256   0.859 -11.047
  548    HG3  LYS  74           HG1      LYS  74  -8.497   1.617 -10.061
  549    HD2  LYS  74           HD2      LYS  74  -6.772   2.955  -8.942
  550    HD3  LYS  74           HD1      LYS  74  -5.532   2.156  -9.912
  551    HE2  LYS  74           HE2      LYS  74  -6.539   2.989 -11.956
  552    HE3  LYS  74           HE1      LYS  74  -7.826   3.756 -11.032
  553    HZ1  LYS  74           HZ1      LYS  74  -4.950   4.446 -10.786
  554    HZ2  LYS  74           HZ2      LYS  74  -6.284   5.315 -10.131
  555    HZ3  LYS  74           HZ3      LYS  74  -6.037   5.225 -11.793
  556    H    TYR  75           HN       TYR  75  -6.095  -1.067  -6.478
  557    HA   TYR  75           HA       TYR  75  -7.864  -3.254  -6.234
  558    HB2  TYR  75           HB2      TYR  75  -5.314  -3.236  -6.251
  559    HB3  TYR  75           HB1      TYR  75  -5.422  -2.777  -4.558
  560    HD1  TYR  75           HD2      TYR  75  -6.354  -4.387  -2.902
  561    HD2  TYR  75           HD1      TYR  75  -5.717  -5.423  -6.970
  562    HE1  TYR  75           HE2      TYR  75  -6.491  -6.726  -2.298
  563    HE2  TYR  75           HE1      TYR  75  -5.848  -7.793  -6.406
  564    HH   TYR  75           HH       TYR  75  -5.460  -9.183  -4.434
  565    H    ILE  76           HN       ILE  76  -6.603  -0.904  -3.924
  566    HA   ILE  76           HA       ILE  76  -8.025  -1.795  -1.683
  567    HB   ILE  76           HB       ILE  76  -6.917   0.954  -2.354
  568   HG12  ILE  76          HG12      ILE  76  -5.848  -1.218  -0.540
  569   HG13  ILE  76          HG11      ILE  76  -5.289  -0.921  -2.181
  570   HG21  ILE  76          HG21      ILE  76  -8.689   1.159  -0.687
  571   HG22  ILE  76          HG22      ILE  76  -7.109   1.468   0.040
  572   HG23  ILE  76          HG23      ILE  76  -7.915  -0.077   0.307
  573   HD11  ILE  76          HD11      ILE  76  -3.773   0.009  -0.540
  574   HD12  ILE  76          HD12      ILE  76  -5.080   0.985   0.137
  575   HD13  ILE  76          HD13      ILE  76  -4.511   1.286  -1.509
  576    H    LEU  77           HN       LEU  77  -8.725   0.723  -4.087
  577    HA   LEU  77           HA       LEU  77 -11.092   1.645  -3.069
  578    HB2  LEU  77           HB2      LEU  77 -10.255   1.388  -5.944
  579    HB3  LEU  77           HB1      LEU  77 -11.720   2.209  -5.452
  580    HG   LEU  77           HG       LEU  77  -8.918   3.015  -4.677
  581   HD11  LEU  77          HD11      LEU  77  -9.382   3.406  -7.031
  582   HD12  LEU  77          HD12      LEU  77  -9.320   4.931  -6.145
  583   HD13  LEU  77          HD13      LEU  77 -10.876   4.243  -6.610
  584   HD21  LEU  77          HD21      LEU  77 -10.557   3.569  -2.960
  585   HD22  LEU  77          HD22      LEU  77 -11.576   4.347  -4.170
  586   HD23  LEU  77          HD23      LEU  77  -9.992   5.023  -3.781
  587    H    ASP  78           HN       ASP  78 -10.625  -0.998  -5.368
  588    HA   ASP  78           HA       ASP  78 -13.349  -1.741  -5.588
  589    HB2  ASP  78           HB2      ASP  78 -10.779  -3.102  -6.291
  590    HB3  ASP  78           HB1      ASP  78 -12.278  -4.010  -6.325
  591    H    HIS  79           HN       HIS  79 -10.792  -2.752  -3.442
  592    HA   HIS  79           HA       HIS  79 -12.241  -5.032  -2.457
  593    HB2  HIS  79           HB2      HIS  79  -9.620  -4.399  -2.473
  594    HB3  HIS  79           HB1      HIS  79 -10.033  -3.991  -0.814
  595    HD1  HIS  79           HD1      HIS  79 -10.618  -6.000   0.800
  596    HD2  HIS  79           HD2      HIS  79  -9.780  -7.105  -3.129
  597    HE1  HIS  79           HE1      HIS  79 -10.308  -8.468   0.839
  598    HE2  HIS  79           HE2      HIS  79  -9.404  -8.991  -1.470
  599    H    GLN  80           HN       GLN  80 -11.846  -1.700  -1.417
  600    HA   GLN  80           HA       GLN  80 -12.759  -2.142   1.275
  601    HB2  GLN  80           HB2      GLN  80 -12.627   0.273   1.543
  602    HB3  GLN  80           HB1      GLN  80 -11.208  -0.337   0.709
  603    HG2  GLN  80           HG2      GLN  80 -12.128   0.402  -1.422
  604    HG3  GLN  80           HG1      GLN  80 -13.568   0.987  -0.603
  605   HE21  GLN  80          HE21      GLN  80 -10.367   1.341   0.731
  606   HE22  GLN  80          HE22      GLN  80 -10.290   3.050   0.528
  607    H    ALA  81           HN       ALA  81 -14.458  -0.072   1.819
  608    HA   ALA  81           HA       ALA  81 -16.526   0.498   2.026
  609    HB1  ALA  81           HB1      ALA  81 -18.074   0.565   0.137
  610    HB2  ALA  81           HB2      ALA  81 -17.019  -0.497  -0.794
  611    HB3  ALA  81           HB3      ALA  81 -16.481   1.128  -0.369
  612    H2   SOO 101           H2A      SOO 101   4.724  -4.263  -1.352
  613    H3   SOO 101           H3A      SOO 101   1.893  -5.286  -2.053
  614    H4   SOO 101           H4A      SOO 101   2.707  -3.477   0.121
  615    H4A  SOO 101           H4B      SOO 101   2.668  -2.536  -1.374
  616    H5   SOO 101           H5A      SOO 101   0.390  -4.197  -0.330
  617    H5A  SOO 101           H5B      SOO 101   0.368  -3.140  -1.739
  618    H6   SOO 101           H6A      SOO 101   0.739  -1.200  -0.318
  619    H6A  SOO 101           H6B      SOO 101   0.803  -2.244   1.106
  620    H7   SOO 101           H7A      SOO 101  -1.513  -2.954   0.679
  621    H7A  SOO 101           H7B      SOO 101  -1.571  -1.885  -0.733
  622    H8   SOO 101           H8C      SOO 101  -2.598  -0.847   1.224
  623    H8A  SOO 101           H8A      SOO 101  -1.152   0.031   0.725
  624    H8B  SOO 101           H8B      SOO 101  -1.092  -1.048   2.122
  625    H28  SOO 101          H28A      SOO 101  10.811 -11.344   1.437
  626   H28A  SOO 101          H28B      SOO 101   9.271 -10.489   1.384
  627    H30  SOO 101          H30A      SOO 101   7.850 -12.651  -1.332
  628   H30A  SOO 101          H30B      SOO 101   8.866 -11.243  -1.642
  629   H30B  SOO 101          H30C      SOO 101   7.594 -11.164  -0.419
  630    H31  SOO 101          H31A      SOO 101   9.915 -14.015  -0.936
  631   H31A  SOO 101          H31B      SOO 101  11.109 -13.466   0.239
  632   H31B  SOO 101          H31C      SOO 101  10.880 -12.576  -1.268
  633    H32  SOO 101          H32A      SOO 101   8.192 -14.065   0.838
  634   HO33  SOO 101          H33A      SOO 101   9.203 -13.088   3.064
  635   HN36  SOO 101          H36A      SOO 101   6.296 -12.569   0.514
  636    H37  SOO 101          H37A      SOO 101   4.989 -12.022   2.953
  637   H37A  SOO 101          H37B      SOO 101   5.507 -10.511   2.257
  638    H38  SOO 101          H38A      SOO 101   3.671 -12.579   0.950
  639   H38A  SOO 101          H38B      SOO 101   3.239 -11.026   1.695
  640   HN41  SOO 101          H41A      SOO 101   5.431  -9.675   0.609
  641    H42  SOO 101          H42A      SOO 101   5.845  -9.576  -2.088
  642   H42A  SOO 101          H42B      SOO 101   4.306  -8.762  -1.841
  643    H43  SOO 101          H43A      SOO 101   6.930  -7.976  -0.591
  644   H43A  SOO 101          H43B      SOO 101   5.351  -7.317  -0.169
  Start of MODEL   20
    1    H1   ALA   1           HT1      ALA   1 -16.865   4.477  -0.267
    2    H2   ALA   1           HT2      ALA   1 -16.512   6.164  -0.211
    3    H3   ALA   1           HT3      ALA   1 -15.922   5.128   0.971
    4    HA   ALA   1           HA       ALA   1 -14.498   4.037  -0.463
    5    HB1  ALA   1           HB1      ALA   1 -15.588   5.849  -2.615
    6    HB2  ALA   1           HB2      ALA   1 -15.873   4.113  -2.488
    7    HB3  ALA   1           HB3      ALA   1 -14.244   4.721  -2.791
    8    H    ALA   2           HN       ALA   2 -12.449   4.862  -0.854
    9    HA   ALA   2           HA       ALA   2 -12.043   7.579   0.176
   10    HB1  ALA   2           HB1      ALA   2 -10.074   5.318  -0.286
   11    HB2  ALA   2           HB2      ALA   2 -10.762   5.783   1.269
   12    HB3  ALA   2           HB3      ALA   2  -9.681   6.887   0.414
   13    H    THR   3           HN       THR   3 -10.169   8.766  -1.040
   14    HA   THR   3           HA       THR   3 -10.690   8.421  -3.869
   15    HB   THR   3           HB       THR   3  -9.458  10.563  -4.121
   16    HG1  THR   3           HG1      THR   3  -9.145  11.670  -1.976
   17   HG21  THR   3          HG21      THR   3 -11.888  10.620  -3.782
   18   HG22  THR   3          HG22      THR   3 -11.117  12.015  -3.026
   19   HG23  THR   3          HG23      THR   3 -11.648  10.654  -2.035
   20    H    GLN   4           HN       GLN   4  -8.558   8.948  -5.224
   21    HA   GLN   4           HA       GLN   4  -6.686   6.947  -4.598
   22    HB2  GLN   4           HB2      GLN   4  -7.193   7.357  -6.872
   23    HB3  GLN   4           HB1      GLN   4  -6.949   9.076  -6.726
   24    HG2  GLN   4           HG2      GLN   4  -4.581   7.395  -6.205
   25    HG3  GLN   4           HG1      GLN   4  -5.213   7.339  -7.849
   26   HE21  GLN   4          HE21      GLN   4  -3.704   9.339  -5.437
   27   HE22  GLN   4          HE22      GLN   4  -3.310  10.635  -6.521
   28    H    GLU   5           HN       GLU   5  -6.936  10.385  -4.255
   29    HA   GLU   5           HA       GLU   5  -4.346  10.976  -3.381
   30    HB2  GLU   5           HB2      GLU   5  -5.942  12.701  -3.983
   31    HB3  GLU   5           HB1      GLU   5  -6.978  12.245  -2.640
   32    HG2  GLU   5           HG2      GLU   5  -5.273  12.973  -1.067
   33    HG3  GLU   5           HG1      GLU   5  -4.210  13.397  -2.406
   34    H    GLU   6           HN       GLU   6  -7.226   9.971  -1.503
   35    HA   GLU   6           HA       GLU   6  -5.971  10.084   1.003
   36    HB2  GLU   6           HB2      GLU   6  -8.304   8.407   0.076
   37    HB3  GLU   6           HB1      GLU   6  -7.782   8.524   1.750
   38    HG2  GLU   6           HG2      GLU   6  -8.734  10.808   0.043
   39    HG3  GLU   6           HG1      GLU   6  -9.680   9.976   1.277
   40    H    ILE   7           HN       ILE   7  -6.303   7.466  -1.312
   41    HA   ILE   7           HA       ILE   7  -5.021   5.521   0.248
   42    HB   ILE   7           HB       ILE   7  -5.312   5.745  -2.760
   43   HG12  ILE   7          HG12      ILE   7  -6.767   4.095  -0.681
   44   HG13  ILE   7          HG11      ILE   7  -7.392   5.541  -1.464
   45   HG21  ILE   7          HG21      ILE   7  -4.710   3.360  -2.859
   46   HG22  ILE   7          HG22      ILE   7  -4.366   3.374  -1.131
   47   HG23  ILE   7          HG23      ILE   7  -3.374   4.328  -2.234
   48   HD11  ILE   7          HD11      ILE   7  -8.324   3.511  -2.410
   49   HD12  ILE   7          HD12      ILE   7  -6.705   2.958  -2.840
   50   HD13  ILE   7          HD13      ILE   7  -7.379   4.403  -3.597
   51    H    VAL   8           HN       VAL   8  -3.679   7.363  -2.480
   52    HA   VAL   8           HA       VAL   8  -1.060   6.456  -2.291
   53    HB   VAL   8           HB       VAL   8  -2.112   9.106  -3.335
   54   HG11  VAL   8          HG11      VAL   8  -0.064   9.240  -4.638
   55   HG12  VAL   8          HG12      VAL   8   0.550   7.785  -3.850
   56   HG13  VAL   8          HG13      VAL   8   0.296   9.260  -2.910
   57   HG21  VAL   8          HG21      VAL   8  -1.448   6.512  -4.701
   58   HG22  VAL   8          HG22      VAL   8  -1.938   8.003  -5.511
   59   HG23  VAL   8          HG23      VAL   8  -3.056   7.178  -4.431
   60    H    ALA   9           HN       ALA   9  -2.298   9.567  -1.019
   61    HA   ALA   9           HA       ALA   9   0.135  10.256   0.239
   62    HB1  ALA   9           HB1      ALA   9  -1.136  12.039   1.305
   63    HB2  ALA   9           HB2      ALA   9  -2.642  11.260   0.802
   64    HB3  ALA   9           HB3      ALA   9  -1.540  11.906  -0.410
   65    H    GLY  10           HN       GLY  10  -2.724   8.513   1.367
   66    HA2  GLY  10           HA2      GLY  10  -2.061   8.619   4.131
   67    HA3  GLY  10           HA1      GLY  10  -3.246   7.569   3.366
   68    H    LEU  11           HN       LEU  11  -1.643   6.258   1.546
   69    HA   LEU  11           HA       LEU  11  -0.597   4.082   2.892
   70    HB2  LEU  11           HB2      LEU  11  -0.885   4.949   0.260
   71    HB3  LEU  11           HB1      LEU  11   0.840   4.670   0.423
   72    HG   LEU  11           HG       LEU  11  -1.363   2.663   1.022
   73   HD11  LEU  11          HD11      LEU  11  -0.637   1.515  -1.002
   74   HD12  LEU  11          HD12      LEU  11   0.480   2.837  -1.343
   75   HD13  LEU  11          HD13      LEU  11  -1.262   3.128  -1.337
   76   HD21  LEU  11          HD21      LEU  11   0.430   0.998   1.116
   77   HD22  LEU  11          HD22      LEU  11   0.640   2.245   2.347
   78   HD23  LEU  11          HD23      LEU  11   1.626   2.273   0.885
   79    H    ALA  12           HN       ALA  12   0.978   6.843   1.504
   80    HA   ALA  12           HA       ALA  12   3.609   6.238   2.055
   81    HB1  ALA  12           HB1      ALA  12   4.035   8.525   1.685
   82    HB2  ALA  12           HB2      ALA  12   2.327   8.922   1.918
   83    HB3  ALA  12           HB3      ALA  12   2.836   7.936   0.534
   84    H    GLU  13           HN       GLU  13   1.180   7.739   4.087
   85    HA   GLU  13           HA       GLU  13   2.962   8.680   6.067
   86    HB2  GLU  13           HB2      GLU  13   0.039   7.978   6.233
   87    HB3  GLU  13           HB1      GLU  13   0.944   8.768   7.519
   88    HG2  GLU  13           HG2      GLU  13   1.426  10.631   6.038
   89    HG3  GLU  13           HG1      GLU  13   0.524   9.840   4.748
   90    H    ILE  14           HN       ILE  14   1.132   5.697   5.728
   91    HA   ILE  14           HA       ILE  14   2.184   4.652   8.180
   92    HB   ILE  14           HB       ILE  14   0.644   3.234   5.955
   93   HG12  ILE  14          HG12      ILE  14  -1.110   2.969   7.765
   94   HG13  ILE  14          HG11      ILE  14  -0.149   4.036   8.769
   95   HG21  ILE  14          HG21      ILE  14   0.467   1.291   7.436
   96   HG22  ILE  14          HG22      ILE  14   1.558   2.075   8.579
   97   HG23  ILE  14          HG23      ILE  14   2.136   1.626   6.974
   98   HD11  ILE  14          HD11      ILE  14  -1.451   4.747   6.152
   99   HD12  ILE  14          HD12      ILE  14  -0.498   5.840   7.155
  100   HD13  ILE  14          HD13      ILE  14  -2.024   5.193   7.758
  101    H    VAL  15           HN       VAL  15   3.012   4.413   4.797
  102    HA   VAL  15           HA       VAL  15   5.017   2.471   5.015
  103    HB   VAL  15           HB       VAL  15   4.714   4.735   3.006
  104   HG11  VAL  15          HG11      VAL  15   6.363   3.558   1.626
  105   HG12  VAL  15          HG12      VAL  15   6.642   2.405   2.936
  106   HG13  VAL  15          HG13      VAL  15   7.069   4.106   3.144
  107   HG21  VAL  15          HG21      VAL  15   2.989   3.020   2.929
  108   HG22  VAL  15          HG22      VAL  15   4.227   1.769   2.809
  109   HG23  VAL  15          HG23      VAL  15   4.023   2.936   1.502
  110    H    ASN  16           HN       ASN  16   5.118   5.952   5.397
  111    HA   ASN  16           HA       ASN  16   7.876   6.291   5.585
  112    HB2  ASN  16           HB2      ASN  16   6.083   8.055   5.308
  113    HB3  ASN  16           HB1      ASN  16   5.833   7.941   7.046
  114   HD21  ASN  16          HD21      ASN  16   7.961   8.845   4.540
  115   HD22  ASN  16          HD22      ASN  16   9.017   9.865   5.439
  116    H    GLU  17           HN       GLU  17   5.498   5.476   8.073
  117    HA   GLU  17           HA       GLU  17   7.500   5.715  10.114
  118    HB2  GLU  17           HB2      GLU  17   5.724   4.992  11.693
  119    HB3  GLU  17           HB1      GLU  17   5.347   6.432  10.771
  120    HG2  GLU  17           HG2      GLU  17   3.867   5.155   9.339
  121    HG3  GLU  17           HG1      GLU  17   4.302   3.670  10.183
  122    H    ILE  18           HN       ILE  18   6.321   3.135   8.186
  123    HA   ILE  18           HA       ILE  18   7.570   1.182  10.012
  124    HB   ILE  18           HB       ILE  18   5.680   0.720   7.693
  125   HG12  ILE  18          HG12      ILE  18   5.349   0.446  10.688
  126   HG13  ILE  18          HG11      ILE  18   4.634   1.698   9.683
  127   HG21  ILE  18          HG21      ILE  18   7.273  -1.143   7.886
  128   HG22  ILE  18          HG22      ILE  18   5.659  -1.642   8.405
  129   HG23  ILE  18          HG23      ILE  18   6.902  -1.288   9.606
  130   HD11  ILE  18          HD11      ILE  18   3.292   0.013   8.549
  131   HD12  ILE  18          HD12      ILE  18   3.017  -0.030  10.296
  132   HD13  ILE  18          HD13      ILE  18   4.047  -1.241   9.522
  133    H    ALA  19           HN       ALA  19   7.532   1.924   6.519
  134    HA   ALA  19           HA       ALA  19   9.907   0.294   6.144
  135    HB1  ALA  19           HB1      ALA  19   8.121   0.205   4.468
  136    HB2  ALA  19           HB2      ALA  19   9.631   0.791   3.770
  137    HB3  ALA  19           HB3      ALA  19   8.337   1.926   4.149
  138    H    GLY  20           HN       GLY  20   8.930   3.624   6.202
  139    HA2  GLY  20           HA2      GLY  20  10.340   5.406   6.824
  140    HA3  GLY  20           HA1      GLY  20  11.732   4.396   6.463
  141    H    ILE  21           HN       ILE  21   9.089   4.749   4.231
  142    HA   ILE  21           HA       ILE  21  10.949   6.023   2.373
  143    HB   ILE  21           HB       ILE  21   8.247   4.723   1.859
  144   HG12  ILE  21          HG12      ILE  21   9.915   3.068   2.481
  145   HG13  ILE  21          HG11      ILE  21   9.540   2.918   0.771
  146   HG21  ILE  21          HG21      ILE  21  10.246   5.765  -0.144
  147   HG22  ILE  21          HG22      ILE  21   8.663   6.454   0.210
  148   HG23  ILE  21          HG23      ILE  21   8.783   4.859  -0.533
  149   HD11  ILE  21          HD11      ILE  21  11.918   2.658   1.181
  150   HD12  ILE  21          HD12      ILE  21  11.976   4.248   1.943
  151   HD13  ILE  21          HD13      ILE  21  11.606   4.107   0.225
  152    HA   PRO  22           HA       PRO  22   9.293  10.118   3.008
  153    HB2  PRO  22           HB2      PRO  22   9.652  10.187   0.037
  154    HB3  PRO  22           HB1      PRO  22  10.124  11.385   1.250
  155    HG2  PRO  22           HG2      PRO  22  11.938   9.760   0.214
  156    HG3  PRO  22           HG1      PRO  22  11.962  10.155   1.944
  157    HD2  PRO  22           HD2      PRO  22  11.132   7.643   0.584
  158    HD3  PRO  22           HD1      PRO  22  11.877   7.875   2.178
  159    H    VAL  23           HN       VAL  23   7.389  11.165   2.793
  160    HA   VAL  23           HA       VAL  23   5.228   9.486   2.070
  161    HB   VAL  23           HB       VAL  23   3.731  11.308   2.841
  162   HG11  VAL  23          HG11      VAL  23   4.551   9.642   4.385
  163   HG12  VAL  23          HG12      VAL  23   4.419  11.213   5.174
  164   HG13  VAL  23          HG13      VAL  23   5.999  10.604   4.679
  165   HG21  VAL  23          HG21      VAL  23   5.087  13.214   2.171
  166   HG22  VAL  23          HG22      VAL  23   6.323  12.753   3.337
  167   HG23  VAL  23          HG23      VAL  23   4.734  13.281   3.899
  168    H    GLU  24           HN       GLU  24   6.802  12.028   0.405
  169    HA   GLU  24           HA       GLU  24   4.664  12.034  -1.561
  170    HB2  GLU  24           HB2      GLU  24   7.077  13.797  -1.210
  171    HB3  GLU  24           HB1      GLU  24   6.044  13.858  -2.640
  172    HG2  GLU  24           HG2      GLU  24   5.119  14.259   0.181
  173    HG3  GLU  24           HG1      GLU  24   5.450  15.564  -0.968
  174    H    ASP  25           HN       ASP  25   6.885  10.016  -0.892
  175    HA   ASP  25           HA       ASP  25   7.774   9.717  -3.653
  176    HB2  ASP  25           HB2      ASP  25   9.546   9.868  -1.899
  177    HB3  ASP  25           HB1      ASP  25   8.949   8.358  -1.220
  178    H    VAL  26           HN       VAL  26   5.512   8.365  -1.351
  179    HA   VAL  26           HA       VAL  26   5.430   5.881  -2.773
  180    HB   VAL  26           HB       VAL  26   3.757   6.978  -0.469
  181   HG11  VAL  26          HG11      VAL  26   3.037   4.666  -0.129
  182   HG12  VAL  26          HG12      VAL  26   3.966   4.168  -1.541
  183   HG13  VAL  26          HG13      VAL  26   2.585   5.250  -1.729
  184   HG21  VAL  26          HG21      VAL  26   6.073   5.054  -0.400
  185   HG22  VAL  26          HG22      VAL  26   5.060   5.495   0.977
  186   HG23  VAL  26          HG23      VAL  26   6.073   6.711   0.203
  187    H    LYS  27           HN       LYS  27   4.973   6.819  -4.685
  188    HA   LYS  27           HA       LYS  27   2.371   8.111  -4.966
  189    HB2  LYS  27           HB2      LYS  27   4.990   8.615  -6.358
  190    HB3  LYS  27           HB1      LYS  27   3.454   9.169  -7.008
  191    HG2  LYS  27           HG2      LYS  27   4.330   9.864  -4.226
  192    HG3  LYS  27           HG1      LYS  27   4.791  10.831  -5.631
  193    HD2  LYS  27           HD2      LYS  27   2.482  11.263  -6.159
  194    HD3  LYS  27           HD1      LYS  27   1.944  10.151  -4.900
  195    HE2  LYS  27           HE2      LYS  27   3.641  12.534  -4.235
  196    HE3  LYS  27           HE1      LYS  27   1.898  12.695  -4.434
  197    HZ1  LYS  27           HZ1      LYS  27   2.685  12.319  -2.098
  198    HZ2  LYS  27           HZ2      LYS  27   3.054  10.706  -2.525
  199    HZ3  LYS  27           HZ3      LYS  27   1.481  11.320  -2.676
  200    H    LEU  28           HN       LEU  28   1.639   7.918  -7.380
  201    HA   LEU  28           HA       LEU  28   0.648   5.393  -7.600
  202    HB2  LEU  28           HB2      LEU  28   0.840   7.530  -9.691
  203    HB3  LEU  28           HB1      LEU  28  -0.031   6.032  -9.944
  204    HG   LEU  28           HG       LEU  28  -0.668   8.031  -7.756
  205   HD11  LEU  28          HD11      LEU  28  -2.644   8.547  -9.080
  206   HD12  LEU  28          HD12      LEU  28  -2.064   7.492 -10.369
  207   HD13  LEU  28          HD13      LEU  28  -1.167   8.963  -9.953
  208   HD21  LEU  28          HD21      LEU  28  -2.708   6.734  -7.499
  209   HD22  LEU  28          HD22      LEU  28  -1.284   5.738  -7.207
  210   HD23  LEU  28          HD23      LEU  28  -2.158   5.602  -8.735
  211    H    ASP  29           HN       ASP  29   3.470   6.565  -9.410
  212    HA   ASP  29           HA       ASP  29   3.541   3.984 -10.813
  213    HB2  ASP  29           HB2      ASP  29   3.692   6.176 -12.060
  214    HB3  ASP  29           HB1      ASP  29   5.247   6.435 -11.289
  215    H    LYS  30           HN       LYS  30   4.291   4.293  -7.970
  216    HA   LYS  30           HA       LYS  30   7.152   3.627  -8.065
  217    HB2  LYS  30           HB2      LYS  30   5.406   4.416  -5.728
  218    HB3  LYS  30           HB1      LYS  30   7.128   4.094  -5.661
  219    HG2  LYS  30           HG2      LYS  30   5.957   6.274  -7.356
  220    HG3  LYS  30           HG1      LYS  30   6.390   6.511  -5.668
  221    HD2  LYS  30           HD2      LYS  30   8.286   5.591  -7.823
  222    HD3  LYS  30           HD1      LYS  30   8.129   7.258  -7.265
  223    HE2  LYS  30           HE2      LYS  30   8.639   6.371  -4.943
  224    HE3  LYS  30           HE1      LYS  30   9.101   4.863  -5.727
  225    HZ1  LYS  30           HZ1      LYS  30  11.052   6.181  -5.419
  226    HZ2  LYS  30           HZ2      LYS  30  10.313   7.523  -6.008
  227    HZ3  LYS  30           HZ3      LYS  30  10.710   6.263  -7.082
  228    H    SER  31           HN       SER  31   7.464   1.476  -8.100
  229    HA   SER  31           HA       SER  31   5.381  -0.328  -7.342
  230    HB2  SER  31           HB2      SER  31   8.215  -0.900  -8.207
  231    HB3  SER  31           HB1      SER  31   6.860  -2.026  -8.188
  232    HG   SER  31           HG       SER  31   7.625  -0.597 -10.142
  233    H    PHE  32           HN       PHE  32   5.331  -1.640  -5.614
  234    HA   PHE  32           HA       PHE  32   7.018  -1.081  -3.406
  235    HB2  PHE  32           HB2      PHE  32   5.085  -3.370  -3.772
  236    HB3  PHE  32           HB1      PHE  32   5.887  -2.941  -2.284
  237    HD1  PHE  32           HD2      PHE  32   3.302  -1.915  -4.646
  238    HD2  PHE  32           HD1      PHE  32   5.224  -1.075  -0.957
  239    HE1  PHE  32           HE2      PHE  32   1.481  -0.365  -4.056
  240    HE2  PHE  32           HE1      PHE  32   3.416   0.473  -0.360
  241    HZ   PHE  32           HZ       PHE  32   1.562   0.848  -1.906
  242    H    THR  33           HN       THR  33   8.120  -2.856  -2.372
  243    HA   THR  33           HA       THR  33  10.169  -3.845  -2.356
  244    HB   THR  33           HB       THR  33  10.247  -6.125  -3.416
  245    HG1  THR  33           HG1      THR  33   8.215  -5.100  -4.899
  246   HG21  THR  33          HG21      THR  33   7.729  -5.443  -1.908
  247   HG22  THR  33          HG22      THR  33   9.304  -5.800  -1.199
  248   HG23  THR  33          HG23      THR  33   8.422  -7.057  -2.070
  249    H    ASP  34           HN       ASP  34   9.997  -1.760  -4.410
  250    HA   ASP  34           HA       ASP  34  12.340  -2.489  -5.936
  251    HB2  ASP  34           HB2      ASP  34  10.485  -3.234  -7.392
  252    HB3  ASP  34           HB1      ASP  34   9.782  -1.625  -7.317
  253    H    ASP  35           HN       ASP  35   9.860   0.093  -6.314
  254    HA   ASP  35           HA       ASP  35  11.932   2.103  -6.266
  255    HB2  ASP  35           HB2      ASP  35   8.920   2.368  -6.370
  256    HB3  ASP  35           HB1      ASP  35  10.050   3.702  -6.483
  257    H    LEU  36           HN       LEU  36   9.326   0.939  -4.341
  258    HA   LEU  36           HA       LEU  36   9.893   2.867  -2.222
  259    HB2  LEU  36           HB2      LEU  36   7.757   0.736  -2.362
  260    HB3  LEU  36           HB1      LEU  36   7.855   2.047  -1.212
  261    HG   LEU  36           HG       LEU  36   7.342   2.309  -4.158
  262   HD11  LEU  36          HD11      LEU  36   5.495   1.353  -2.940
  263   HD12  LEU  36          HD12      LEU  36   5.113   2.997  -3.467
  264   HD13  LEU  36          HD13      LEU  36   5.539   2.682  -1.781
  265   HD21  LEU  36          HD21      LEU  36   7.468   4.393  -1.987
  266   HD22  LEU  36          HD22      LEU  36   6.940   4.658  -3.658
  267   HD23  LEU  36          HD23      LEU  36   8.600   4.156  -3.325
  268    H    ASP  37           HN       ASP  37   9.158  -0.511  -2.481
  269    HA   ASP  37           HA       ASP  37   9.598  -2.332  -1.291
  270    HB2  ASP  37           HB2      ASP  37  11.886  -2.248  -2.091
  271    HB3  ASP  37           HB1      ASP  37  12.328  -1.126  -0.792
  272    H    VAL  38           HN       VAL  38   8.561  -2.788   0.355
  273    HA   VAL  38           HA       VAL  38   8.949  -1.143   2.747
  274    HB   VAL  38           HB       VAL  38   6.624  -3.004   2.181
  275   HG11  VAL  38          HG11      VAL  38   6.973  -2.448   4.528
  276   HG12  VAL  38          HG12      VAL  38   5.501  -1.684   3.930
  277   HG13  VAL  38          HG13      VAL  38   6.968  -0.729   4.135
  278   HG21  VAL  38          HG21      VAL  38   5.296  -1.022   1.583
  279   HG22  VAL  38          HG22      VAL  38   6.633  -1.272   0.460
  280   HG23  VAL  38          HG23      VAL  38   6.745  -0.023   1.700
  281    H    ASP  39           HN       ASP  39  10.921  -2.884   2.108
  282    HA   ASP  39           HA       ASP  39  12.254  -4.500   2.939
  283    HB2  ASP  39           HB2      ASP  39  11.550  -3.228   5.043
  284    HB3  ASP  39           HB1      ASP  39  10.343  -4.510   5.202
  285    H    SER  40           HN       SER  40   9.906  -5.018   1.541
  286    HA   SER  40           HA       SER  40   8.480  -6.502   0.643
  287    HB2  SER  40           HB2      SER  40   9.337  -8.768   0.218
  288    HB3  SER  40           HB1      SER  40  10.474  -7.487  -0.182
  289    H    LEU  41           HN       LEU  41   9.566  -8.261   3.460
  290    HA   LEU  41           HA       LEU  41   6.936  -9.390   3.787
  291    HB2  LEU  41           HB2      LEU  41   7.979 -10.373   5.907
  292    HB3  LEU  41           HB1      LEU  41   8.576 -10.913   4.357
  293    HG   LEU  41           HG       LEU  41  10.520  -9.351   4.646
  294   HD11  LEU  41          HD11      LEU  41   9.560  -9.119   7.493
  295   HD12  LEU  41          HD12      LEU  41   9.469  -7.847   6.300
  296   HD13  LEU  41          HD13      LEU  41  11.052  -8.447   6.819
  297   HD21  LEU  41          HD21      LEU  41  11.681 -10.808   6.214
  298   HD22  LEU  41          HD22      LEU  41  10.697 -11.718   5.066
  299   HD23  LEU  41          HD23      LEU  41  10.134 -11.486   6.723
  300    H    SER  42           HN       SER  42   8.665  -6.696   4.997
  301    HA   SER  42           HA       SER  42   7.088  -6.315   7.311
  302    HB2  SER  42           HB2      SER  42   9.436  -5.431   7.042
  303    HB3  SER  42           HB1      SER  42   8.805  -4.297   5.851
  304    HG   SER  42           HG       SER  42   7.766  -4.420   8.450
  305    H    MET  43           HN       MET  43   6.650  -5.877   4.071
  306    HA   MET  43           HA       MET  43   5.160  -3.617   3.741
  307    HB2  MET  43           HB2      MET  43   5.857  -4.775   1.788
  308    HB3  MET  43           HB1      MET  43   5.086  -6.264   2.313
  309    HG2  MET  43           HG2      MET  43   3.537  -3.819   1.697
  310    HG3  MET  43           HG1      MET  43   4.079  -4.904   0.402
  311    HE1  MET  43           HE1      MET  43   3.217  -7.427   0.246
  312    HE2  MET  43           HE2      MET  43   2.102  -8.169   1.398
  313    HE3  MET  43           HE3      MET  43   3.740  -7.734   1.899
  314    H    VAL  44           HN       VAL  44   4.202  -6.786   4.630
  315    HA   VAL  44           HA       VAL  44   1.463  -6.616   4.670
  316    HB   VAL  44           HB       VAL  44   3.132  -8.180   6.666
  317   HG11  VAL  44          HG11      VAL  44   1.230  -9.719   6.760
  318   HG12  VAL  44          HG12      VAL  44   0.322  -8.655   5.686
  319   HG13  VAL  44          HG13      VAL  44   0.783  -8.096   7.294
  320   HG21  VAL  44          HG21      VAL  44   3.835  -8.648   4.391
  321   HG22  VAL  44          HG22      VAL  44   2.162  -8.973   3.917
  322   HG23  VAL  44          HG23      VAL  44   2.980 -10.037   5.064
  323    H    GLU  45           HN       GLU  45   3.789  -5.705   7.145
  324    HA   GLU  45           HA       GLU  45   2.029  -5.102   9.243
  325    HB2  GLU  45           HB2      GLU  45   4.720  -3.830   8.696
  326    HB3  GLU  45           HB1      GLU  45   3.906  -3.955  10.253
  327    HG2  GLU  45           HG2      GLU  45   4.086  -6.417  10.106
  328    HG3  GLU  45           HG1      GLU  45   4.954  -6.229   8.600
  329    H    VAL  46           HN       VAL  46   3.457  -3.038   6.689
  330    HA   VAL  46           HA       VAL  46   2.111  -0.685   7.326
  331    HB   VAL  46           HB       VAL  46   3.055  -1.751   4.638
  332   HG11  VAL  46          HG11      VAL  46   1.138  -0.234   4.207
  333   HG12  VAL  46          HG12      VAL  46   2.657   0.495   3.697
  334   HG13  VAL  46          HG13      VAL  46   1.901   1.003   5.202
  335   HG21  VAL  46          HG21      VAL  46   4.730  -0.005   4.897
  336   HG22  VAL  46          HG22      VAL  46   4.744  -1.122   6.262
  337   HG23  VAL  46          HG23      VAL  46   3.999   0.468   6.430
  338    H    VAL  47           HN       VAL  47   1.079  -3.242   5.094
  339    HA   VAL  47           HA       VAL  47  -1.327  -2.245   4.208
  340    HB   VAL  47           HB       VAL  47  -0.692  -5.133   4.853
  341   HG11  VAL  47          HG11      VAL  47  -3.116  -4.808   4.567
  342   HG12  VAL  47          HG12      VAL  47  -2.426  -5.692   3.204
  343   HG13  VAL  47          HG13      VAL  47  -2.823  -3.982   3.037
  344   HG21  VAL  47          HG21      VAL  47   0.872  -4.109   3.361
  345   HG22  VAL  47          HG22      VAL  47  -0.435  -3.502   2.355
  346   HG23  VAL  47          HG23      VAL  47  -0.153  -5.239   2.481
  347    H    VAL  48           HN       VAL  48  -0.894  -4.195   7.149
  348    HA   VAL  48           HA       VAL  48  -3.540  -4.354   7.978
  349    HB   VAL  48           HB       VAL  48  -1.100  -4.045   9.769
  350   HG11  VAL  48          HG11      VAL  48  -3.170  -3.666  11.013
  351   HG12  VAL  48          HG12      VAL  48  -2.430  -5.198  11.482
  352   HG13  VAL  48          HG13      VAL  48  -3.826  -5.186  10.403
  353   HG21  VAL  48          HG21      VAL  48  -1.124  -6.494   9.862
  354   HG22  VAL  48          HG22      VAL  48  -0.888  -5.905   8.214
  355   HG23  VAL  48          HG23      VAL  48  -2.466  -6.517   8.714
  356    H    ALA  49           HN       ALA  49  -1.287  -1.693   8.460
  357    HA   ALA  49           HA       ALA  49  -3.224  -0.164   9.984
  358    HB1  ALA  49           HB1      ALA  49  -0.436   0.577   9.109
  359    HB2  ALA  49           HB2      ALA  49  -0.870  -0.130  10.664
  360    HB3  ALA  49           HB3      ALA  49  -1.447   1.480  10.235
  361    H    ALA  50           HN       ALA  50  -1.800  -0.233   6.792
  362    HA   ALA  50           HA       ALA  50  -2.703   2.251   5.839
  363    HB1  ALA  50           HB1      ALA  50  -2.318   1.342   3.599
  364    HB2  ALA  50           HB2      ALA  50  -2.224  -0.287   4.248
  365    HB3  ALA  50           HB3      ALA  50  -0.992   0.901   4.671
  366    H    GLU  51           HN       GLU  51  -4.102  -1.004   5.389
  367    HA   GLU  51           HA       GLU  51  -6.451  -0.070   4.239
  368    HB2  GLU  51           HB2      GLU  51  -5.911  -2.621   5.719
  369    HB3  GLU  51           HB1      GLU  51  -7.246  -2.319   4.607
  370    HG2  GLU  51           HG2      GLU  51  -4.325  -2.342   3.962
  371    HG3  GLU  51           HG1      GLU  51  -5.520  -3.525   3.460
  372    H    GLU  52           HN       GLU  52  -5.473  -0.434   7.534
  373    HA   GLU  52           HA       GLU  52  -7.957  -0.230   8.816
  374    HB2  GLU  52           HB2      GLU  52  -5.896  -0.747  10.005
  375    HB3  GLU  52           HB1      GLU  52  -5.243   0.830   9.610
  376    HG2  GLU  52           HG2      GLU  52  -6.901   1.887  11.036
  377    HG3  GLU  52           HG1      GLU  52  -7.600   0.306  11.399
  378    H    ARG  53           HN       ARG  53  -5.718   2.098   7.578
  379    HA   ARG  53           HA       ARG  53  -6.978   4.518   8.299
  380    HB2  ARG  53           HB2      ARG  53  -4.597   4.242   7.795
  381    HB3  ARG  53           HB1      ARG  53  -4.994   3.789   6.152
  382    HG2  ARG  53           HG2      ARG  53  -4.177   5.985   6.120
  383    HG3  ARG  53           HG1      ARG  53  -5.914   6.068   5.833
  384    HD2  ARG  53           HD2      ARG  53  -6.305   6.773   8.085
  385    HD3  ARG  53           HD1      ARG  53  -4.605   6.516   8.505
  386    HE   ARG  53           HE       ARG  53  -5.136   8.299   6.319
  387   HH11  ARG  53          HH11      ARG  53  -4.675   8.133   9.833
  388   HH12  ARG  53          HH12      ARG  53  -3.890   9.637   9.971
  389   HH21  ARG  53          HH21      ARG  53  -4.145  10.389   6.468
  390   HH22  ARG  53          HH22      ARG  53  -3.620  11.016   7.947
  391    H    PHE  54           HN       PHE  54  -7.278   2.325   5.509
  392    HA   PHE  54           HA       PHE  54  -8.875   4.305   4.051
  393    HB2  PHE  54           HB2      PHE  54  -7.911   1.592   3.162
  394    HB3  PHE  54           HB1      PHE  54  -8.658   2.816   2.128
  395    HD1  PHE  54           HD1      PHE  54  -7.145   5.210   3.065
  396    HD2  PHE  54           HD2      PHE  54  -5.901   1.234   2.260
  397    HE1  PHE  54           HE1      PHE  54  -4.895   6.039   2.555
  398    HE2  PHE  54           HE2      PHE  54  -3.620   2.044   1.761
  399    HZ   PHE  54           HZ       PHE  54  -3.117   4.447   1.913
  400    H    ASP  55           HN       ASP  55  -9.510   2.054   6.302
  401    HA   ASP  55           HA       ASP  55 -11.332   0.953   7.041
  402    HB2  ASP  55           HB2      ASP  55 -12.775   2.588   4.932
  403    HB3  ASP  55           HB1      ASP  55 -13.618   1.495   6.023
  404    H    VAL  56           HN       VAL  56  -9.637  -0.199   5.118
  405    HA   VAL  56           HA       VAL  56 -11.435  -2.198   3.873
  406    HB   VAL  56           HB       VAL  56  -8.577  -1.968   3.087
  407   HG11  VAL  56          HG11      VAL  56 -10.952  -2.673   1.434
  408   HG12  VAL  56          HG12      VAL  56  -9.744  -3.757   2.135
  409   HG13  VAL  56          HG13      VAL  56  -9.278  -2.614   0.872
  410   HG21  VAL  56          HG21      VAL  56 -10.582  -0.038   1.994
  411   HG22  VAL  56          HG22      VAL  56  -9.005  -0.420   1.286
  412   HG23  VAL  56          HG23      VAL  56  -9.090   0.294   2.908
  413    H    LYS  57           HN       LYS  57  -9.148  -3.860   3.404
  414    HA   LYS  57           HA       LYS  57  -7.313  -4.351   5.278
  415    HB2  LYS  57           HB2      LYS  57  -9.264  -4.849   6.764
  416    HB3  LYS  57           HB1      LYS  57  -9.696  -6.115   5.609
  417    HG2  LYS  57           HG2      LYS  57  -8.439  -6.985   7.633
  418    HG3  LYS  57           HG1      LYS  57  -7.687  -7.360   6.082
  419    HD2  LYS  57           HD2      LYS  57  -6.156  -5.460   6.353
  420    HD3  LYS  57           HD1      LYS  57  -6.911  -5.064   7.895
  421    HE2  LYS  57           HE2      LYS  57  -5.485  -7.653   7.275
  422    HE3  LYS  57           HE1      LYS  57  -4.757  -6.281   8.105
  423    HZ1  LYS  57           HZ1      LYS  57  -5.473  -7.855   9.711
  424    HZ2  LYS  57           HZ2      LYS  57  -7.026  -7.943   9.066
  425    HZ3  LYS  57           HZ3      LYS  57  -6.495  -6.520   9.821
  426    H    ILE  58           HN       ILE  58  -5.966  -5.377   3.974
  427    HA   ILE  58           HA       ILE  58  -7.133  -7.231   2.047
  428    HB   ILE  58           HB       ILE  58  -4.500  -5.724   1.755
  429   HG12  ILE  58          HG12      ILE  58  -7.132  -5.177   0.372
  430   HG13  ILE  58          HG11      ILE  58  -6.468  -4.200   1.677
  431   HG21  ILE  58          HG21      ILE  58  -6.172  -7.290  -0.197
  432   HG22  ILE  58          HG22      ILE  58  -4.677  -7.870   0.549
  433   HG23  ILE  58          HG23      ILE  58  -4.642  -6.496  -0.563
  434   HD11  ILE  58          HD11      ILE  58  -6.065  -3.185  -0.494
  435   HD12  ILE  58          HD12      ILE  58  -5.193  -4.632  -1.019
  436   HD13  ILE  58          HD13      ILE  58  -4.555  -3.636   0.295
  437    HA   PRO  59           HA       PRO  59  -4.882 -10.077   4.706
  438    HB2  PRO  59           HB2      PRO  59  -5.618 -12.298   3.222
  439    HB3  PRO  59           HB1      PRO  59  -6.579 -11.593   4.527
  440    HG2  PRO  59           HG2      PRO  59  -6.857 -11.257   1.578
  441    HG3  PRO  59           HG1      PRO  59  -8.113 -11.426   2.817
  442    HD2  PRO  59           HD2      PRO  59  -7.475  -9.049   1.730
  443    HD3  PRO  59           HD1      PRO  59  -7.992  -9.209   3.424
  444    H    ASP  60           HN       ASP  60  -3.149 -11.723   4.271
  445    HA   ASP  60           HA       ASP  60  -1.287 -10.455   2.573
  446    HB2  ASP  60           HB2      ASP  60   0.377 -12.125   3.225
  447    HB3  ASP  60           HB1      ASP  60  -0.421 -11.394   4.606
  448    H    ASP  61           HN       ASP  61  -3.293 -13.178   2.011
  449    HA   ASP  61           HA       ASP  61  -1.822 -14.123  -0.274
  450    HB2  ASP  61           HB2      ASP  61  -4.699 -14.562   0.507
  451    HB3  ASP  61           HB1      ASP  61  -3.954 -15.282  -0.913
  452    H    ASP  62           HN       ASP  62  -4.095 -11.672   0.288
  453    HA   ASP  62           HA       ASP  62  -4.854 -11.352  -2.477
  454    HB2  ASP  62           HB2      ASP  62  -5.499  -9.863   0.053
  455    HB3  ASP  62           HB1      ASP  62  -5.968  -9.259  -1.521
  456    H    VAL  63           HN       VAL  63  -2.970  -9.612  -0.039
  457    HA   VAL  63           HA       VAL  63  -2.531  -7.342  -1.628
  458    HB   VAL  63           HB       VAL  63  -2.466  -7.249   0.810
  459   HG11  VAL  63          HG11      VAL  63   0.142  -8.729   0.613
  460   HG12  VAL  63          HG12      VAL  63  -1.369  -9.345   1.277
  461   HG13  VAL  63          HG13      VAL  63  -0.533  -8.011   2.079
  462   HG21  VAL  63          HG21      VAL  63   0.133  -6.402  -0.444
  463   HG22  VAL  63          HG22      VAL  63  -0.525  -5.790   1.068
  464   HG23  VAL  63          HG23      VAL  63  -1.372  -5.483  -0.454
  465    H    LYS  64           HN       LYS  64  -0.802 -10.329  -1.513
  466    HA   LYS  64           HA       LYS  64   1.710  -9.374  -2.357
  467    HB2  LYS  64           HB2      LYS  64   2.253 -11.684  -2.915
  468    HB3  LYS  64           HB1      LYS  64   1.495 -11.545  -1.339
  469    HG2  LYS  64           HG2      LYS  64  -0.621 -12.321  -2.291
  470    HG3  LYS  64           HG1      LYS  64   0.153 -12.454  -3.874
  471    HD2  LYS  64           HD2      LYS  64   0.055 -14.629  -2.772
  472    HD3  LYS  64           HD1      LYS  64   1.726 -14.091  -2.958
  473    HE2  LYS  64           HE2      LYS  64   1.797 -13.378  -0.661
  474    HE3  LYS  64           HE1      LYS  64   0.102 -13.775  -0.428
  475    HZ1  LYS  64           HZ1      LYS  64   0.819 -16.116  -1.094
  476    HZ2  LYS  64           HZ2      LYS  64   1.152 -15.557   0.427
  477    HZ3  LYS  64           HZ3      LYS  64   2.413 -15.593  -0.724
  478    H    ASN  65           HN       ASN  65  -1.067  -9.274  -4.017
  479    HA   ASN  65           HA       ASN  65   0.047  -9.948  -6.642
  480    HB2  ASN  65           HB2      ASN  65  -2.794  -9.349  -5.805
  481    HB3  ASN  65           HB1      ASN  65  -2.290  -9.698  -7.453
  482   HD21  ASN  65          HD21      ASN  65  -3.014 -10.993  -4.343
  483   HD22  ASN  65          HD22      ASN  65  -2.926 -12.657  -4.792
  484    H    LEU  66           HN       LEU  66   0.405  -7.370  -4.866
  485    HA   LEU  66           HA       LEU  66  -0.590  -5.489  -6.856
  486    HB2  LEU  66           HB2      LEU  66   0.219  -5.039  -3.995
  487    HB3  LEU  66           HB1      LEU  66  -0.206  -3.748  -5.106
  488    HG   LEU  66           HG       LEU  66  -2.041  -5.989  -4.247
  489   HD11  LEU  66          HD11      LEU  66  -2.054  -3.066  -3.534
  490   HD12  LEU  66          HD12      LEU  66  -1.642  -4.396  -2.454
  491   HD13  LEU  66          HD13      LEU  66  -3.284  -4.247  -3.087
  492   HD21  LEU  66          HD21      LEU  66  -2.538  -3.587  -5.997
  493   HD22  LEU  66          HD22      LEU  66  -3.765  -4.723  -5.436
  494   HD23  LEU  66          HD23      LEU  66  -2.485  -5.269  -6.520
  495    H    LYS  67           HN       LYS  67   0.589  -3.992  -7.779
  496    HA   LYS  67           HA       LYS  67   3.490  -4.474  -7.879
  497    HB2  LYS  67           HB2      LYS  67   2.320  -4.567 -10.000
  498    HB3  LYS  67           HB1      LYS  67   1.669  -2.953  -9.746
  499    HG2  LYS  67           HG2      LYS  67   4.018  -2.088  -9.752
  500    HG3  LYS  67           HG1      LYS  67   4.551  -3.706 -10.201
  501    HD2  LYS  67           HD2      LYS  67   2.644  -1.967 -11.727
  502    HD3  LYS  67           HD1      LYS  67   4.338  -2.221 -12.137
  503    HE2  LYS  67           HE2      LYS  67   2.176  -4.338 -12.117
  504    HE3  LYS  67           HE1      LYS  67   2.953  -3.651 -13.540
  505    HZ1  LYS  67           HZ1      LYS  67   5.092  -4.606 -12.701
  506    HZ2  LYS  67           HZ2      LYS  67   3.942  -5.729 -13.119
  507    HZ3  LYS  67           HZ3      LYS  67   4.232  -5.402 -11.481
  508    H    THR  68           HN       THR  68   1.571  -1.532  -8.412
  509    HA   THR  68           HA       THR  68   3.575   0.022  -6.934
  510    HB   THR  68           HB       THR  68   2.734   1.900  -8.335
  511    HG1  THR  68           HG1      THR  68   1.490   1.182 -10.241
  512   HG21  THR  68          HG21      THR  68   3.683  -0.477  -9.947
  513   HG22  THR  68          HG22      THR  68   4.724   0.649  -9.078
  514   HG23  THR  68          HG23      THR  68   3.769   1.210 -10.454
  515    H    VAL  69           HN       VAL  69   2.254   2.289  -6.381
  516    HA   VAL  69           HA       VAL  69  -0.002   1.326  -4.929
  517    HB   VAL  69           HB       VAL  69  -0.306   3.389  -3.870
  518   HG11  VAL  69          HG11      VAL  69   1.837   3.990  -2.958
  519   HG12  VAL  69          HG12      VAL  69   2.613   2.961  -4.184
  520   HG13  VAL  69          HG13      VAL  69   1.482   2.269  -3.002
  521   HG21  VAL  69          HG21      VAL  69  -0.257   4.857  -5.719
  522   HG22  VAL  69          HG22      VAL  69   1.493   4.665  -5.871
  523   HG23  VAL  69          HG23      VAL  69   0.810   5.455  -4.448
  524    H    GLY  70           HN       GLY  70   0.528   2.409  -8.059
  525    HA2  GLY  70           HA2      GLY  70  -2.000   3.681  -8.486
  526    HA3  GLY  70           HA1      GLY  70  -0.922   3.021  -9.726
  527    H    ASP  71           HN       ASP  71  -0.595   0.558  -8.965
  528    HA   ASP  71           HA       ASP  71  -2.925  -0.823  -9.768
  529    HB2  ASP  71           HB2      ASP  71  -0.686  -1.675 -10.212
  530    HB3  ASP  71           HB1      ASP  71  -0.354  -1.786  -8.491
  531    H    ALA  72           HN       ALA  72  -1.376  -0.236  -6.646
  532    HA   ALA  72           HA       ALA  72  -3.110  -1.807  -5.085
  533    HB1  ALA  72           HB1      ALA  72  -2.240  -0.607  -3.167
  534    HB2  ALA  72           HB2      ALA  72  -1.565   0.634  -4.226
  535    HB3  ALA  72           HB3      ALA  72  -0.931  -1.009  -4.279
  536    H    THR  73           HN       THR  73  -3.241   1.640  -5.964
  537    HA   THR  73           HA       THR  73  -5.286   2.499  -4.391
  538    HB   THR  73           HB       THR  73  -4.644   3.317  -7.241
  539    HG1  THR  73           HG1      THR  73  -3.033   3.774  -5.717
  540   HG21  THR  73          HG21      THR  73  -6.409   4.747  -5.247
  541   HG22  THR  73          HG22      THR  73  -6.972   3.944  -6.712
  542   HG23  THR  73          HG23      THR  73  -5.929   5.362  -6.827
  543    H    LYS  74           HN       LYS  74  -5.625   1.177  -7.679
  544    HA   LYS  74           HA       LYS  74  -8.440   1.331  -7.806
  545    HB2  LYS  74           HB2      LYS  74  -6.714  -0.634  -9.303
  546    HB3  LYS  74           HB1      LYS  74  -8.274   0.009  -9.788
  547    HG2  LYS  74           HG2      LYS  74  -5.656   1.474  -9.663
  548    HG3  LYS  74           HG1      LYS  74  -6.558   1.013 -11.103
  549    HD2  LYS  74           HD2      LYS  74  -8.415   2.507 -10.328
  550    HD3  LYS  74           HD1      LYS  74  -7.344   3.006  -9.001
  551    HE2  LYS  74           HE2      LYS  74  -7.287   4.625 -10.850
  552    HE3  LYS  74           HE1      LYS  74  -5.720   3.858 -10.602
  553    HZ1  LYS  74           HZ1      LYS  74  -6.161   2.405 -12.490
  554    HZ2  LYS  74           HZ2      LYS  74  -6.317   3.997 -12.988
  555    HZ3  LYS  74           HZ3      LYS  74  -7.692   3.073 -12.695
  556    H    TYR  75           HN       TYR  75  -6.240  -1.049  -6.625
  557    HA   TYR  75           HA       TYR  75  -8.051  -3.230  -6.456
  558    HB2  TYR  75           HB2      TYR  75  -5.586  -3.517  -6.542
  559    HB3  TYR  75           HB1      TYR  75  -5.468  -2.736  -4.964
  560    HD1  TYR  75           HD2      TYR  75  -6.295  -3.860  -2.961
  561    HD2  TYR  75           HD1      TYR  75  -6.311  -5.779  -6.743
  562    HE1  TYR  75           HE2      TYR  75  -6.540  -6.033  -1.853
  563    HE2  TYR  75           HE1      TYR  75  -6.533  -7.922  -5.701
  564    HH   TYR  75           HH       TYR  75  -7.242  -8.230  -2.322
  565    H    ILE  76           HN       ILE  76  -6.634  -1.033  -4.073
  566    HA   ILE  76           HA       ILE  76  -8.044  -1.838  -1.810
  567    HB   ILE  76           HB       ILE  76  -6.915   0.874  -2.580
  568   HG12  ILE  76          HG12      ILE  76  -5.823  -1.283  -0.759
  569   HG13  ILE  76          HG11      ILE  76  -5.323  -1.020  -2.424
  570   HG21  ILE  76          HG21      ILE  76  -8.616   1.177  -0.865
  571   HG22  ILE  76          HG22      ILE  76  -7.004   1.458  -0.200
  572   HG23  ILE  76          HG23      ILE  76  -7.849  -0.053   0.140
  573   HD11  ILE  76          HD11      ILE  76  -4.984   0.920  -0.148
  574   HD12  ILE  76          HD12      ILE  76  -4.472   1.175  -1.820
  575   HD13  ILE  76          HD13      ILE  76  -3.730  -0.099  -0.858
  576    H    LEU  77           HN       LEU  77  -8.844   0.570  -4.264
  577    HA   LEU  77           HA       LEU  77 -11.184   1.456  -3.120
  578    HB2  LEU  77           HB2      LEU  77 -10.377   1.356  -6.016
  579    HB3  LEU  77           HB1      LEU  77 -11.859   2.122  -5.477
  580    HG   LEU  77           HG       LEU  77  -9.073   2.930  -4.635
  581   HD11  LEU  77          HD11      LEU  77  -9.520   3.480  -6.972
  582   HD12  LEU  77          HD12      LEU  77  -9.451   4.929  -5.976
  583   HD13  LEU  77          HD13      LEU  77 -11.009   4.296  -6.499
  584   HD21  LEU  77          HD21      LEU  77 -11.753   4.177  -4.067
  585   HD22  LEU  77          HD22      LEU  77 -10.187   4.850  -3.621
  586   HD23  LEU  77          HD23      LEU  77 -10.731   3.333  -2.906
  587    H    ASP  78           HN       ASP  78 -10.630  -1.374  -5.111
  588    HA   ASP  78           HA       ASP  78 -13.447  -1.994  -5.361
  589    HB2  ASP  78           HB2      ASP  78 -12.060  -2.655  -7.195
  590    HB3  ASP  78           HB1      ASP  78 -10.954  -3.513  -6.128
  591    H    HIS  79           HN       HIS  79 -10.785  -2.978  -3.374
  592    HA   HIS  79           HA       HIS  79 -12.092  -5.304  -2.276
  593    HB2  HIS  79           HB2      HIS  79  -9.532  -4.737  -2.537
  594    HB3  HIS  79           HB1      HIS  79  -9.753  -4.017  -0.948
  595    HD1  HIS  79           HD1      HIS  79 -10.540  -5.796   1.023
  596    HD2  HIS  79           HD2      HIS  79  -9.297  -7.414  -2.599
  597    HE1  HIS  79           HE1      HIS  79 -10.013  -8.184   1.497
  598    HE2  HIS  79           HE2      HIS  79  -9.029  -9.067  -0.663
  599    H    GLN  80           HN       GLN  80 -12.202  -1.954  -1.613
  600    HA   GLN  80           HA       GLN  80 -12.674  -2.306   1.222
  601    HB2  GLN  80           HB2      GLN  80 -12.765   0.085   1.396
  602    HB3  GLN  80           HB1      GLN  80 -11.373  -0.457   0.478
  603    HG2  GLN  80           HG2      GLN  80 -12.550   0.159  -1.611
  604    HG3  GLN  80           HG1      GLN  80 -13.887   0.773  -0.641
  605   HE21  GLN  80          HE21      GLN  80 -10.481   1.130   0.249
  606   HE22  GLN  80          HE22      GLN  80 -10.450   2.831   0.036
  607    H    ALA  81           HN       ALA  81 -14.404  -0.702   2.045
  608    HA   ALA  81           HA       ALA  81 -16.544  -0.275   2.483
  609    HB1  ALA  81           HB1      ALA  81 -18.397  -0.673   0.911
  610    HB2  ALA  81           HB2      ALA  81 -17.330  -1.618  -0.131
  611    HB3  ALA  81           HB3      ALA  81 -17.053   0.110   0.073
  612    H2   SOO 101           H2A      SOO 101   4.252  -4.647  -1.603
  613    H3   SOO 101           H3A      SOO 101   1.314  -5.497  -2.133
  614    H4   SOO 101           H4A      SOO 101   2.276  -3.566  -0.156
  615    H4A  SOO 101           H4B      SOO 101   2.422  -2.769  -1.720
  616    H5   SOO 101           H5A      SOO 101  -0.116  -3.925  -0.568
  617    H5A  SOO 101           H5B      SOO 101   0.038  -3.120  -2.132
  618    H6   SOO 101           H6A      SOO 101   0.814  -1.075  -0.953
  619    H6A  SOO 101           H6B      SOO 101   0.526  -1.883   0.585
  620    H7   SOO 101           H7A      SOO 101  -1.635  -1.436  -1.476
  621    H7A  SOO 101           H7B      SOO 101  -1.311  -0.332  -0.129
  622    H8   SOO 101           H8C      SOO 101  -1.797  -2.088   1.461
  623    H8A  SOO 101           H8A      SOO 101  -2.024  -3.256   0.143
  624    H8B  SOO 101           H8B      SOO 101  -3.132  -1.904   0.336
  625    H28  SOO 101          H28A      SOO 101  11.046 -12.157   1.414
  626   H28A  SOO 101          H28B      SOO 101   9.757 -10.952   1.487
  627    H30  SOO 101          H30A      SOO 101   7.979 -12.086  -1.533
  628   H30A  SOO 101          H30B      SOO 101   9.212 -10.825  -1.481
  629   H30B  SOO 101          H30C      SOO 101   7.989 -10.919  -0.212
  630    H31  SOO 101          H31A      SOO 101   9.763 -13.829  -1.669
  631   H31A  SOO 101          H31B      SOO 101  11.053 -13.849  -0.465
  632   H31B  SOO 101          H31C      SOO 101  10.970 -12.542  -1.647
  633    H32  SOO 101          H32A      SOO 101   8.006 -14.000   0.172
  634   HO33  SOO 101          H33A      SOO 101   9.198 -14.331   2.397
  635   HN36  SOO 101          H36A      SOO 101   6.434 -12.288   0.593
  636    H37  SOO 101          H37A      SOO 101   5.922 -11.878   3.438
  637   H37A  SOO 101          H37B      SOO 101   6.136 -10.425   2.489
  638    H38  SOO 101          H38A      SOO 101   4.006 -12.543   2.076
  639   H38A  SOO 101          H38B      SOO 101   3.827 -10.894   2.721
  640   HN41  SOO 101          H41A      SOO 101   5.457  -9.636   0.934
  641    H42  SOO 101          H42A      SOO 101   5.196  -9.903  -1.775
  642   H42A  SOO 101          H42B      SOO 101   3.705  -9.099  -1.270
  643    H43  SOO 101          H43A      SOO 101   6.512  -8.118  -0.702
  644   H43A  SOO 101          H43B      SOO 101   5.003  -7.339  -0.206