*HEADER    TOXIN                                   26-SEP-06   2IH7              
*TITLE     AMIDATED PRO6 ANALOGUE OF CMRVIA CONOTOXIN                            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: LAMBDA-CONOTOXIN CMRVIA;                                   
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: CHEMICALLY SYTHESIZED USING FMOC SOLID                
*SOURCE   4 PHASE PEPTIDE SYNTHESIS.                                             
*KEYWDS    CONOTOXIN, DISULFIDE LINKAGE, NMR                                     
*EXPDTA    NMR, 15 STRUCTURES                                                    
*AUTHOR    R.M.KINI, T.S.KANG                                                    
*REVDAT   1   14-AUG-07 2IH7    0                                                

!BIOSYM restraint 1
!
#distance
1:TYR_5:HB1        1:TYR_5:HB2         1.900  3.100  1.00  1.00 1000.000
1:PRO_10:HB*       1:PRO_10:HD*        1.900  3.100  1.00  1.00 1000.000
1:GLY_4:HA1        1:GLY_4:HA2         1.900  3.100  1.00  1.00 1000.000
1:PRO_6:HB1        1:PRO_6:HD2         1.900  3.100  1.00  1.00 1000.000
1:PRO_6:HB2        1:PRO_6:HD1         1.900  3.100  1.00  1.00 1000.000
1:PRO_10:HB*       1:PRO_10:HA         1.900  3.100  1.00  1.00 1000.000
1:VALn_1:HG1*      1:VALn_1:HB         1.900  3.100  1.00  1.00 1000.000
1:VALn_1:HG2*      1:VALn_1:HB         1.900  3.100  1.00  1.00 1000.000
1:TYR_5:HB2        1:TYR_5:HD*         1.900  3.100  1.00  1.00 1000.000
1:PRO_6:HD2        1:PRO_6:HG2         1.900  3.100  1.00  1.00 1000.000
1:PRO_10:HD*       1:PRO_10:HA         1.900  3.100  1.00  1.00 1000.000
1:PRO_6:HD1        1:PRO_6:HB1         1.900  3.100  1.00  1.00 1000.000
1:LEU_7:HG         1:LEU_7:HA          1.900  3.100  1.00  1.00 1000.000
1:PRO_6:HG2        1:TYR_5:HD*         1.900  3.100  1.00  1.00 1000.000
1:PRO_6:HG1        1:TYR_5:HE*         1.900  3.100  1.00  1.00 1000.000
1:GLY_4:HA2        1:GLY_4:HN          1.900  3.100  1.00  1.00 1000.000
1:PRO_6:HG1        1:TYR_5:HD*         1.900  3.100  1.00  1.00 1000.000
1:PRO_6:HB2        1:PRO_6:HG2         1.900  3.100  1.00  1.00 1000.000
1:LEU_7:HD2*       1:LEU_7:HA          1.900  3.100  1.00  1.00 1000.000
1:VALn_1:HB        1:VALn_1:HA         1.900  3.800  1.00  1.00 1000.000
1:PRO_6:HB2        1:PRO_6:HD2         1.900  3.800  1.00  1.00 1000.000
1:PRO_6:HD1        1:PRO_6:HG1         1.900  3.800  1.00  1.00 1000.000
1:PRO_6:HA         1:TYR_5:HE*         1.900  3.800  1.00  1.00 1000.000
1:PRO_10:HG        1:HIS_9:HA          1.900  3.800  1.00  1.00 1000.000
1:PRO_6:HA         1:TYR_5:HD*         1.900  3.800  1.00  1.00 1000.000
1:PRO_6:HG2        1:PRO_6:HB1         1.900  3.800  1.00  1.00 1000.000
1:PRO_10:HB*       1:HIS_9:HB*         1.900  3.800  1.00  1.00 1000.000
1:PRO_10:HB*       1:HIS_9:HD2         1.900  3.800  1.00  1.00 1000.000
1:HIS_9:HB1        1:HIS_9:HD2         1.900  3.800  1.00  1.00 1000.000
1:HIS_9:HB1        1:HIS_9:HA          1.900  3.800  1.00  1.00 1000.000
1:LEU_7:HB*        1:LEU_7:HA          1.900  3.800  1.00  1.00 1000.000
1:VALn_1:HG2*      1:VALn_1:HA         1.900  3.800  1.00  1.00 1000.000
1:LEU_7:HB1        1:LEU_7:HN          1.900  3.800  1.00  1.00 1000.000
1:PRO_6:HG1        1:LEU_7:HN          1.900  3.800  1.00  1.00 1000.000
1:TYR_5:HB2        1:TYR_5:HN          1.900  3.800  1.00  1.00 1000.000
1:HIS_9:HA         1:HIS_9:HN          1.900  3.800  1.00  1.00 1000.000
1:LEU_7:HA         1:LEU_7:HN          1.900  3.800  1.00  1.00 1000.000
1:PRO_6:HG2        1:TYR_5:HE*         1.900  3.800  1.00  1.00 1000.000
1:VALn_1:HG1*      1:VALn_1:HA         1.900  3.800  1.00  1.00 1000.000
1:VALn_1:HB        1:TYR_5:HD*         1.900  3.800  1.00  1.00 1000.000
1:PRO_10:HG        1:HIS_9:HB*         1.900  3.800  1.00  1.00 1000.000
1:PRO_10:HB*       1:HIS_9:HA          1.900  3.800  1.00  1.00 1000.000
1:PRO_6:HG1        1:VALn_1:HB         1.900  3.800  1.00  1.00 1000.000
1:LEU_7:HB2        1:LEU_7:HN          1.900  5.000  1.00  1.00 1000.000
1:PRO_6:HG2        1:LEU_7:HN          1.900  5.000  1.00  1.00 1000.000
1:LEU_7:HD1*       1:LEU_7:HA          1.900  5.000  1.00  1.00 1000.000
1:PRO_6:HD1        1:PRO_6:HG2         1.900  5.000  1.00  1.00 1000.000
1:PRO_6:HD2        1:PRO_6:HG1         1.900  5.000  1.00  1.00 1000.000
1:VALn_1:HG1*      1:PRO_6:HG1         1.900  5.000  1.00  1.00 1000.000
1:HIS_9:HB1        1:HIS_9:HN          1.900  5.000  1.00  1.00 1000.000
1:VALn_1:HG1*      1:TYR_5:HD*         1.900  5.000  1.00  1.00 1000.000
1:LEU_7:HG         1:LEU_7:HN          1.900  5.000  1.00  1.00 1000.000
1:GLY_4:HA1        1:TYR_5:HN          1.900  5.000  1.00  1.00 1000.000
1:VALn_1:HG2*      1:TYR_5:HE*         1.900  5.000  1.00  1.00 1000.000
1:PRO_6:HB*        1:LEU_7:HN          1.900  5.000  1.00  1.00 1000.000
1:GLY_4:HA1        1:GLY_4:HN          1.900  5.000  1.00  1.00 1000.000
1:VALn_1:HG2*      1:TYR_5:HD*         1.900  5.000  1.00  1.00 1000.000
1:PRO_10:HG        1:PRO_10:HD*        1.900  5.000  1.00  1.00 1000.000
1:VALn_1:HG2*      1:PRO_6:HG1         1.900  5.000  1.00  1.00 1000.000
1:HIS_9:HB2        1:HIS_9:HN          1.900  5.000  1.00  1.00 1000.000
1:HIS_9:HB1        1:HIS_9:HE1         1.900  5.000  1.00  1.00 1000.000
1:TYR_5:HB2        1:TYR_5:HE*         1.900  5.000  1.00  1.00 1000.000
1:VALn_1:HB        1:TYR_5:HE*         1.900  5.000  1.00  1.00 1000.000
1:LEU_7:HD2*       1:LEU_7:HN          1.900  5.000  1.00  1.00 1000.000
1:PRO_6:HG1        1:PRO_6:HB1         1.900  5.000  1.00  1.00 1000.000
1:LEU_7:HD1*       1:LEU_7:HN          1.900  5.000  1.00  1.00 1000.000
1:CYS_11:HB2       1:CYS_11:HB1        1.900  3.100  1.00  1.00 1000.000
1:CYS_8:HB1        1:CYS_8:HB2         1.900  3.100  1.00  1.00 1000.000
1:CYS_2:HB2        1:CYS_2:HB1         1.900  3.100  1.00  1.00 1000.000
1:CYS_3:HB1        1:CYS_3:HB2         1.900  3.100  1.00  1.00 1000.000
1:CYS_8:HA         1:HIS_9:HN          1.900  3.100  1.00  1.00 1000.000
1:LEU_7:HA         1:CYS_8:HN          1.900  3.100  1.00  1.00 1000.000
1:CYS_3:HA         1:GLY_4:HN          1.900  3.100  1.00  1.00 1000.000
1:CYS_2:HA         1:CYS_3:HN          1.900  3.100  1.00  1.00 1000.000
1:CYS_11:HB1       1:CYS_11:HA         1.900  3.100  1.00  1.00 1000.000
1:PRO_10:HA        1:CYS_11:HN         1.900  3.100  1.00  1.00 1000.000
1:CYS_8:HB1        1:CYS_8:HA          1.900  3.100  1.00  1.00 1000.000
1:VALn_1:HA        1:CYS_2:HN          1.900  3.100  1.00  1.00 1000.000
1:CYS_3:HB1        1:CYS_3:HA          1.900  3.100  1.00  1.00 1000.000
1:CYS_8:HA         1:CYS_8:HN          1.900  3.100  1.00  1.00 1000.000
1:CYS_2:HB2        1:CYS_2:HN          1.900  3.800  1.00  1.00 1000.000
1:CYS_8:HB2        1:CYS_8:HN          1.900  3.800  1.00  1.00 1000.000
1:CYS_11:HB2       1:CYS_11:HN         1.900  3.800  1.00  1.00 1000.000
1:CYS_3:HB2        1:CYS_3:HN          1.900  3.800  1.00  1.00 1000.000
1:CYS_3:HB2        1:CYS_11:HA         1.900  3.800  1.00  1.00 1000.000
1:CYS_2:HB1        1:CYS_3:HN          1.900  3.800  1.00  1.00 1000.000
1:VALn_1:HB        1:CYS_2:HN          1.900  3.800  1.00  1.00 1000.000
1:CYS_3:HB1        1:CYS_11:HA         1.900  3.800  1.00  1.00 1000.000
1:CYS_2:HB1        1:CYS_8:HA          1.900  3.800  1.00  1.00 1000.000
1:CYS_11:HB2       1:CYS_11:HA         1.900  3.800  1.00  1.00 1000.000
1:CYS_11:HA        1:CYS_11:HN         1.900  3.800  1.00  1.00 1000.000
1:CYS_3:HA         1:CYS_3:HN          1.900  5.000  1.00  1.00 1000.000
1:CYS_8:HB2        1:CYS_8:HA          1.900  5.000  1.00  1.00 1000.000
1:HIS_9:HE1        1:CYS_3:HB1         1.900  5.000  1.00  1.00 1000.000
1:CYS_2:HA         1:CYS_2:HN          1.900  5.000  1.00  1.00 1000.000
1:VALn_1:HG1*      1:CYS_8:HB2         1.900  5.000  1.00  1.00 1000.000
1:CYS_3:HB1        1:GLY_4:HN          1.900  5.000  1.00  1.00 1000.000
1:CYS_11:HA        1:HIS_9:HE1         1.900  5.000  1.00  1.00 1000.000
1:PRO_6:HB1        1:CYS_2:HN          1.900  5.000  1.00  1.00 1000.000
1:VALn_1:HG1*      1:CYS_2:HN          1.900  5.000  1.00  1.00 1000.000
1:VALn_1:HG2*      1:CYS_2:HN          1.900  5.000  1.00  1.00 1000.000
1:CYS_3:HB2        1:CYS_11:HN         1.900  5.000  1.00  1.00 1000.000


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   VAL   1           H1       VAL   1  10.590   5.019  -3.301
    2    H2   VAL   1           H2       VAL   1  10.843   6.539  -3.824
    3    HA   VAL   1           HA       VAL   1   8.820   5.676  -1.860
    4    HB   VAL   1           HB       VAL   1  10.186   7.288  -0.275
    5   HG11  VAL   1          HG11      VAL   1   9.898   4.858   0.128
    6   HG12  VAL   1          HG12      VAL   1  11.301   4.512  -0.925
    7   HG13  VAL   1          HG13      VAL   1  11.514   5.419   0.592
    8   HG21  VAL   1          HG21      VAL   1  12.599   7.377  -0.533
    9   HG22  VAL   1          HG22      VAL   1  12.558   6.416  -2.029
   10   HG23  VAL   1          HG23      VAL   1  11.923   8.062  -2.024
   11    H    CYS   2           H        CYS   2  10.175   8.668  -3.157
   12    HA   CYS   2           HA       CYS   2   7.649  10.163  -2.271
   13    HB2  CYS   2           HB2      CYS   2   9.278  11.494  -0.778
   14    HB3  CYS   2           HB3      CYS   2   9.121   9.803  -0.322
   15    H    CYS   3           H        CYS   3   8.014  12.551  -2.222
   16    HA   CYS   3           HA       CYS   3  10.303  13.437  -3.958
   17    HB2  CYS   3           HB2      CYS   3   9.280  15.469  -4.701
   18    HB3  CYS   3           HB3      CYS   3   8.217  14.150  -5.170
   19    H    GLY   4           H        GLY   4  11.727  14.698  -2.874
   20    HA2  GLY   4           HA2      GLY   4  12.852  15.811  -1.032
   21    HA3  GLY   4           HA3      GLY   4  11.276  16.268  -0.438
   22    H    TYR   5           H        TYR   5  13.150  13.251  -0.606
   23    HA   TYR   5           HA       TYR   5  13.382  12.688   2.275
   24    HB2  TYR   5           HB2      TYR   5  10.955  12.537   2.258
   25    HB3  TYR   5           HB3      TYR   5  10.894  11.655   0.798
   26    HD1  TYR   5           HD1      TYR   5  11.417   9.084   0.825
   27    HD2  TYR   5           HD2      TYR   5  11.263  11.420   4.423
   28    HE1  TYR   5           HE1      TYR   5  10.920   7.083   2.099
   29    HE2  TYR   5           HE2      TYR   5  10.803   9.382   5.708
   30    HH   TYR   5           HH       TYR   5  10.241   6.264   4.085
   31    HA   PRO   6           HA       PRO   6  16.518   9.301   1.571
   32    HB2  PRO   6           HB2      PRO   6  13.887   7.796   1.396
   33    HB3  PRO   6           HB3      PRO   6  15.443   7.197   2.019
   34    HG2  PRO   6           HG2      PRO   6  13.459   8.452   3.534
   35    HG3  PRO   6           HG3      PRO   6  15.138   8.407   4.067
   36    HD2  PRO   6           HD2      PRO   6  13.768  10.805   3.496
   37    HD3  PRO   6           HD3      PRO   6  15.519  10.648   3.533
   38    H    LEU   7           H        LEU   7  14.873   7.238  -0.490
   39    HA   LEU   7           HA       LEU   7  16.714   7.962  -2.760
   40    HB2  LEU   7           HB2      LEU   7  14.668   5.711  -2.319
   41    HB3  LEU   7           HB3      LEU   7  15.564   5.859  -3.795
   42    HG   LEU   7           HG       LEU   7  16.951   5.512  -1.077
   43   HD11  LEU   7          HD11      LEU   7  16.264   3.405  -3.250
   44   HD12  LEU   7          HD12      LEU   7  17.234   3.115  -1.787
   45   HD13  LEU   7          HD13      LEU   7  15.515   3.522  -1.642
   46   HD21  LEU   7          HD21      LEU   7  18.448   6.513  -2.858
   47   HD22  LEU   7          HD22      LEU   7  18.922   4.847  -2.511
   48   HD23  LEU   7          HD23      LEU   7  18.006   5.214  -3.990
   49    H    CYS   8           H        CYS   8  15.014  10.136  -2.534
   50    HA   CYS   8           HA       CYS   8  14.041  10.184  -5.407
   51    HB2  CYS   8           HB2      CYS   8  11.849  11.000  -4.939
   52    HB3  CYS   8           HB3      CYS   8  12.053   9.542  -3.960
   53    H    HIS   9           H        HIS   9  13.378  12.358  -6.174
   54    HA   HIS   9           HA       HIS   9  15.285  14.527  -5.266
   55    HB2  HIS   9           HB2      HIS   9  14.780  15.695  -7.230
   56    HB3  HIS   9           HB3      HIS   9  15.041  14.046  -7.703
   57    HD2  HIS   9           HD2      HIS   9  12.754  16.910  -8.217
   58    HE1  HIS   9           HE1      HIS   9  10.136  13.732  -8.749
   59    HE2  HIS   9           HE2      HIS   9  10.319  16.262  -9.074
   60    HA   HYP  10           HA       HYP  10  12.462  17.426  -3.010
   61    HB2  HYP  10           HB2      HYP  10  13.510  18.957  -5.491
   62    HB3  HYP  10           HB3      HYP  10  13.121  19.679  -3.913
   63    HG   HYP  10           HG       HYP  10  15.674  18.993  -4.452
   64   HD22  HYP  10          HD22      HYP  10  15.522  16.877  -5.348
   65   HD23  HYP  10          HD23      HYP  10  15.582  16.343  -3.642
   66    HD1  HYP  10           HD1      HYP  10  15.740  19.118  -2.331
   67    H    CYS  11           H        CYS  11  10.450  18.309  -3.023
   68    HA   CYS  11           HA       CYS  11   8.509  17.547  -5.126
   69    HB2  CYS  11           HB2      CYS  11   8.204  19.367  -2.639
   70    HB3  CYS  11           HB3      CYS  11   6.876  18.702  -3.595
   71    HN1  NH2  12           HN1      NH2  12   7.672  20.599  -6.870
   72    HN2  NH2  12           HN2      NH2  12   7.161  18.888  -6.431
  Start of MODEL    2
    1    H1   VAL   1           H1       VAL   1  11.140   5.834  -2.520
    2    H2   VAL   1           H2       VAL   1   9.859   4.852  -2.262
    3    HA   VAL   1           HA       VAL   1   9.750   5.421   0.042
    4    HB   VAL   1           HB       VAL   1  11.065   7.524   0.810
    5   HG11  VAL   1          HG11      VAL   1  11.352   5.323   1.862
    6   HG12  VAL   1          HG12      VAL   1  12.533   4.844   0.611
    7   HG13  VAL   1          HG13      VAL   1  12.907   6.169   1.738
    8   HG21  VAL   1          HG21      VAL   1  13.312   7.930   0.023
    9   HG22  VAL   1          HG22      VAL   1  13.265   6.575  -1.129
   10   HG23  VAL   1          HG23      VAL   1  12.297   8.022  -1.427
   11    H    CYS   2           H        CYS   2  10.410   8.109  -2.188
   12    HA   CYS   2           HA       CYS   2   7.693   9.361  -1.471
   13    HB2  CYS   2           HB2      CYS   2   9.179  11.286  -0.490
   14    HB3  CYS   2           HB3      CYS   2   9.239   9.768   0.401
   15    H    CYS   3           H        CYS   3   7.681  11.740  -2.125
   16    HA   CYS   3           HA       CYS   3   9.799  12.455  -4.182
   17    HB2  CYS   3           HB2      CYS   3   8.520  14.321  -5.041
   18    HB3  CYS   3           HB3      CYS   3   7.564  12.858  -5.243
   19    H    GLY   4           H        GLY   4  11.066  14.193  -3.559
   20    HA2  GLY   4           HA2      GLY   4  12.323  15.572  -2.045
   21    HA3  GLY   4           HA3      GLY   4  10.761  16.081  -1.461
   22    H    TYR   5           H        TYR   5  12.961  13.334  -1.030
   23    HA   TYR   5           HA       TYR   5  13.452  13.590   1.844
   24    HB2  TYR   5           HB2      TYR   5  11.127  13.107   2.219
   25    HB3  TYR   5           HB3      TYR   5  11.030  11.901   1.010
   26    HD1  TYR   5           HD1      TYR   5  11.957   9.523   1.497
   27    HD2  TYR   5           HD2      TYR   5  11.899  12.575   4.517
   28    HE1  TYR   5           HE1      TYR   5  12.064   7.813   3.216
   29    HE2  TYR   5           HE2      TYR   5  12.112  10.841   6.241
   30    HH   TYR   5           HH       TYR   5  11.944   7.366   5.453
   31    HA   PRO   6           HA       PRO   6  17.160  10.836   1.671
   32    HB2  PRO   6           HB2      PRO   6  14.903   8.827   1.928
   33    HB3  PRO   6           HB3      PRO   6  16.571   8.674   2.548
   34    HG2  PRO   6           HG2      PRO   6  14.421   9.831   3.907
   35    HG3  PRO   6           HG3      PRO   6  16.086  10.191   4.345
   36    HD2  PRO   6           HD2      PRO   6  14.297  12.165   3.437
   37    HD3  PRO   6           HD3      PRO   6  16.043  12.311   3.330
   38    H    LEU   7           H        LEU   7  15.450   8.413  -0.128
   39    HA   LEU   7           HA       LEU   7  17.133   9.193  -2.608
   40    HB2  LEU   7           HB2      LEU   7  16.115   6.444  -1.734
   41    HB3  LEU   7           HB3      LEU   7  16.864   6.764  -3.275
   42    HG   LEU   7           HG       LEU   7  18.292   7.171  -0.581
   43   HD11  LEU   7          HD11      LEU   7  18.532   4.922  -2.697
   44   HD12  LEU   7          HD12      LEU   7  19.550   5.100  -1.251
   45   HD13  LEU   7          HD13      LEU   7  17.818   4.763  -1.077
   46   HD21  LEU   7          HD21      LEU   7  19.297   8.660  -2.360
   47   HD22  LEU   7          HD22      LEU   7  20.390   7.319  -2.004
   48   HD23  LEU   7          HD23      LEU   7  19.402   7.283  -3.482
   49    H    CYS   8           H        CYS   8  14.887  10.649  -2.330
   50    HA   CYS   8           HA       CYS   8  13.786  10.023  -5.120
   51    HB2  CYS   8           HB2      CYS   8  11.549  10.632  -4.479
   52    HB3  CYS   8           HB3      CYS   8  12.093   9.316  -3.429
   53    H    HIS   9           H        HIS   9  12.811  11.903  -6.201
   54    HA   HIS   9           HA       HIS   9  14.506  14.385  -5.807
   55    HB2  HIS   9           HB2      HIS   9  14.085  15.045  -7.945
   56    HB3  HIS   9           HB3      HIS   9  14.304  13.334  -8.101
   57    HD2  HIS   9           HD2      HIS   9  11.978  16.179  -8.865
   58    HE1  HIS   9           HE1      HIS   9   9.466  12.920  -9.265
   59    HE2  HIS   9           HE2      HIS   9   9.567  15.411  -9.644
   60    HA   HYP  10           HA       HYP  10  11.641  17.409  -3.898
   61    HB2  HYP  10           HB2      HYP  10  12.232  18.539  -6.700
   62    HB3  HYP  10           HB3      HYP  10  11.950  19.485  -5.219
   63    HG   HYP  10           HG       HYP  10  14.485  18.909  -6.000
   64   HD22  HYP  10          HD22      HYP  10  14.495  16.667  -6.421
   65   HD23  HYP  10          HD23      HYP  10  14.728  16.483  -4.659
   66    HD1  HYP  10           HD1      HYP  10  14.040  19.774  -3.956
   67    H    CYS  11           H        CYS  11   9.528  17.557  -3.645
   68    HA   CYS  11           HA       CYS  11   7.514  16.469  -5.470
   69    HB2  CYS  11           HB2      CYS  11   7.224  18.319  -3.005
   70    HB3  CYS  11           HB3      CYS  11   5.892  17.479  -3.805
   71    HN1  NH2  12           HN1      NH2  12   6.204  19.267  -7.338
   72    HN2  NH2  12           HN2      NH2  12   6.165  17.463  -6.984
  Start of MODEL    3
    1    H1   VAL   1           H1       VAL   1  11.322   4.720  -1.617
    2    H2   VAL   1           H2       VAL   1  11.327   6.083  -2.513
    3    HA   VAL   1           HA       VAL   1   9.775   5.581  -0.055
    4    HB   VAL   1           HB       VAL   1  11.158   7.520   0.909
    5   HG11  VAL   1          HG11      VAL   1  11.410   5.208   1.729
    6   HG12  VAL   1          HG12      VAL   1  12.606   4.860   0.451
    7   HG13  VAL   1          HG13      VAL   1  12.969   6.050   1.720
    8   HG21  VAL   1          HG21      VAL   1  13.439   7.906   0.159
    9   HG22  VAL   1          HG22      VAL   1  13.276   6.744  -1.187
   10   HG23  VAL   1          HG23      VAL   1  12.383   8.267  -1.215
   11    H    CYS   2           H        CYS   2  10.542   8.310  -2.205
   12    HA   CYS   2           HA       CYS   2   7.899   9.640  -1.398
   13    HB2  CYS   2           HB2      CYS   2   9.375  11.593  -0.558
   14    HB3  CYS   2           HB3      CYS   2   9.484  10.104   0.374
   15    H    CYS   3           H        CYS   3   7.690  11.905  -2.173
   16    HA   CYS   3           HA       CYS   3   9.914  12.712  -4.046
   17    HB2  CYS   3           HB2      CYS   3   8.722  14.513  -5.064
   18    HB3  CYS   3           HB3      CYS   3   7.762  13.069  -5.319
   19    H    GLY   4           H        GLY   4  11.105  14.412  -3.288
   20    HA2  GLY   4           HA2      GLY   4  12.071  15.965  -1.723
   21    HA3  GLY   4           HA3      GLY   4  10.467  16.252  -1.121
   22    H    TYR   5           H        TYR   5  13.008  13.774  -0.858
   23    HA   TYR   5           HA       TYR   5  13.415  13.757   1.981
   24    HB2  TYR   5           HB2      TYR   5  11.145  13.143   2.393
   25    HB3  TYR   5           HB3      TYR   5  11.043  12.045   1.092
   26    HD1  TYR   5           HD1      TYR   5  12.061   9.637   1.368
   27    HD2  TYR   5           HD2      TYR   5  11.949  12.449   4.605
   28    HE1  TYR   5           HE1      TYR   5  12.074   7.791   2.984
   29    HE2  TYR   5           HE2      TYR   5  12.013  10.588   6.199
   30    HH   TYR   5           HH       TYR   5  11.486   7.260   5.199
   31    HA   PRO   6           HA       PRO   6  17.126  11.016   1.610
   32    HB2  PRO   6           HB2      PRO   6  14.964   8.958   2.094
   33    HB3  PRO   6           HB3      PRO   6  16.653   8.955   2.681
   34    HG2  PRO   6           HG2      PRO   6  14.401  10.050   3.964
   35    HG3  PRO   6           HG3      PRO   6  16.046  10.427   4.455
   36    HD2  PRO   6           HD2      PRO   6  14.309  12.380   3.500
   37    HD3  PRO   6           HD3      PRO   6  16.061  12.513   3.344
   38    H    LEU   7           H        LEU   7  15.289   8.507   0.117
   39    HA   LEU   7           HA       LEU   7  17.077   8.806  -2.377
   40    HB2  LEU   7           HB2      LEU   7  15.570   6.371  -1.273
   41    HB3  LEU   7           HB3      LEU   7  16.395   6.384  -2.798
   42    HG   LEU   7           HG       LEU   7  17.897   6.934  -0.173
   43   HD11  LEU   7          HD11      LEU   7  17.680   4.305  -1.806
   44   HD12  LEU   7          HD12      LEU   7  18.666   4.561  -0.349
   45   HD13  LEU   7          HD13      LEU   7  16.897   4.574  -0.241
   46   HD21  LEU   7          HD21      LEU   7  19.087   7.801  -2.210
   47   HD22  LEU   7          HD22      LEU   7  19.917   6.378  -1.567
   48   HD23  LEU   7          HD23      LEU   7  18.899   6.230  -3.017
   49    H    CYS   8           H        CYS   8  15.164  10.637  -2.492
   50    HA   CYS   8           HA       CYS   8  13.900   9.810  -5.133
   51    HB2  CYS   8           HB2      CYS   8  11.689  10.595  -4.589
   52    HB3  CYS   8           HB3      CYS   8  12.149   9.377  -3.391
   53    H    HIS   9           H        HIS   9  12.864  11.711  -6.263
   54    HA   HIS   9           HA       HIS   9  14.611  14.167  -6.219
   55    HB2  HIS   9           HB2      HIS   9  13.463  14.879  -8.174
   56    HB3  HIS   9           HB3      HIS   9  13.920  13.224  -8.394
   57    HD2  HIS   9           HD2      HIS   9  11.131  15.509  -8.983
   58    HE1  HIS   9           HE1      HIS   9   9.077  11.937  -8.413
   59    HE2  HIS   9           HE2      HIS   9   8.744  14.341  -9.191
   60    HA   HYP  10           HA       HYP  10  11.894  17.400  -4.073
   61    HB2  HYP  10           HB2      HYP  10  12.210  18.040  -7.086
   62    HB3  HYP  10           HB3      HYP  10  11.969  19.216  -5.790
   63    HG   HYP  10           HG       HYP  10  14.464  18.647  -6.663
   64   HD22  HYP  10          HD22      HYP  10  14.586  16.359  -6.710
   65   HD23  HYP  10          HD23      HYP  10  14.969  16.467  -4.970
   66    HD1  HYP  10           HD1      HYP  10  13.719  19.662  -4.528
   67    H    CYS  11           H        CYS  11   9.747  17.918  -3.918
   68    HA   CYS  11           HA       CYS  11   7.651  16.637  -5.689
   69    HB2  CYS  11           HB2      CYS  11   7.433  18.601  -3.312
   70    HB3  CYS  11           HB3      CYS  11   6.069  17.837  -4.133
   71    HN1  NH2  12           HN1      NH2  12   6.703  19.525  -7.662
   72    HN2  NH2  12           HN2      NH2  12   6.235  17.838  -7.094
  Start of MODEL    4
    1    H1   VAL   1           H1       VAL   1  10.561   4.405  -1.624
    2    H2   VAL   1           H2       VAL   1  10.927   5.697  -2.546
    3    HA   VAL   1           HA       VAL   1   9.354   5.582  -0.073
    4    HB   VAL   1           HB       VAL   1  10.925   7.479   0.652
    5   HG11  VAL   1          HG11      VAL   1  11.059   5.176   1.583
    6   HG12  VAL   1          HG12      VAL   1  12.146   4.689   0.268
    7   HG13  VAL   1          HG13      VAL   1  12.670   5.906   1.444
    8   HG21  VAL   1          HG21      VAL   1  13.187   7.603  -0.269
    9   HG22  VAL   1          HG22      VAL   1  12.826   6.380  -1.513
   10   HG23  VAL   1          HG23      VAL   1  12.080   7.977  -1.602
   11    H    CYS   2           H        CYS   2  10.306   8.335  -2.026
   12    HA   CYS   2           HA       CYS   2   7.655   9.657  -1.230
   13    HB2  CYS   2           HB2      CYS   2   9.348  11.347  -0.191
   14    HB3  CYS   2           HB3      CYS   2   9.364   9.741   0.536
   15    H    CYS   3           H        CYS   3   7.906  12.108  -1.596
   16    HA   CYS   3           HA       CYS   3   9.871  12.810  -3.772
   17    HB2  CYS   3           HB2      CYS   3   8.697  14.744  -4.533
   18    HB3  CYS   3           HB3      CYS   3   7.524  13.435  -4.620
   19    H    GLY   4           H        GLY   4  11.156  14.622  -3.219
   20    HA2  GLY   4           HA2      GLY   4  12.428  16.060  -1.756
   21    HA3  GLY   4           HA3      GLY   4  10.943  16.298  -0.881
   22    H    TYR   5           H        TYR   5  12.989  13.389  -1.080
   23    HA   TYR   5           HA       TYR   5  13.865  13.422   1.784
   24    HB2  TYR   5           HB2      TYR   5  11.529  13.083   2.180
   25    HB3  TYR   5           HB3      TYR   5  11.306  11.985   0.895
   26    HD1  TYR   5           HD1      TYR   5  12.511   9.506   1.213
   27    HD2  TYR   5           HD2      TYR   5  11.802  12.297   4.404
   28    HE1  TYR   5           HE1      TYR   5  12.366   7.672   2.775
   29    HE2  TYR   5           HE2      TYR   5  11.719  10.420   5.987
   30    HH   TYR   5           HH       TYR   5  11.831   7.035   4.882
   31    HA   PRO   6           HA       PRO   6  17.283  10.453   1.285
   32    HB2  PRO   6           HB2      PRO   6  15.016   8.490   1.753
   33    HB3  PRO   6           HB3      PRO   6  16.714   8.343   2.274
   34    HG2  PRO   6           HG2      PRO   6  14.612   9.517   3.733
   35    HG3  PRO   6           HG3      PRO   6  16.306   9.826   4.102
   36    HD2  PRO   6           HD2      PRO   6  14.542  11.838   3.279
   37    HD3  PRO   6           HD3      PRO   6  16.297  11.936   3.095
   38    H    LEU   7           H        LEU   7  15.047   8.276  -0.325
   39    HA   LEU   7           HA       LEU   7  16.825   8.468  -2.853
   40    HB2  LEU   7           HB2      LEU   7  15.006   6.186  -1.917
   41    HB3  LEU   7           HB3      LEU   7  15.924   6.182  -3.396
   42    HG   LEU   7           HG       LEU   7  17.266   6.344  -0.624
   43   HD11  LEU   7          HD11      LEU   7  16.828   3.886  -2.464
   44   HD12  LEU   7          HD12      LEU   7  17.716   3.901  -0.920
   45   HD13  LEU   7          HD13      LEU   7  15.962   4.174  -0.943
   46   HD21  LEU   7          HD21      LEU   7  18.710   7.170  -2.525
   47   HD22  LEU   7          HD22      LEU   7  19.326   5.655  -1.841
   48   HD23  LEU   7          HD23      LEU   7  18.447   5.637  -3.386
   49    H    CYS   8           H        CYS   8  14.869  10.480  -2.523
   50    HA   CYS   8           HA       CYS   8  13.514  10.132  -5.219
   51    HB2  CYS   8           HB2      CYS   8  11.336  10.779  -4.446
   52    HB3  CYS   8           HB3      CYS   8  11.864   9.389  -3.486
   53    H    HIS   9           H        HIS   9  13.205  11.912  -6.414
   54    HA   HIS   9           HA       HIS   9  14.626  14.390  -5.929
   55    HB2  HIS   9           HB2      HIS   9  13.766  15.077  -8.054
   56    HB3  HIS   9           HB3      HIS   9  14.147  13.394  -8.177
   57    HD2  HIS   9           HD2      HIS   9  11.361  15.936  -8.466
   58    HE1  HIS   9           HE1      HIS   9   9.319  12.337  -8.707
   59    HE2  HIS   9           HE2      HIS   9   8.981  14.848  -8.715
   60    HA   HYP  10           HA       HYP  10  12.029  17.731  -4.042
   61    HB2  HYP  10           HB2      HYP  10  12.361  18.627  -6.970
   62    HB3  HYP  10           HB3      HYP  10  12.333  19.675  -5.535
   63    HG   HYP  10           HG       HYP  10  14.672  18.873  -6.689
   64   HD22  HYP  10          HD22      HYP  10  14.649  16.606  -6.732
   65   HD23  HYP  10          HD23      HYP  10  15.035  16.653  -4.995
   66    HD1  HYP  10           HD1      HYP  10  14.075  18.878  -3.884
   67    H    CYS  11           H        CYS  11   9.910  18.442  -3.897
   68    HA   CYS  11           HA       CYS  11   7.824  16.746  -5.237
   69    HB2  CYS  11           HB2      CYS  11   7.670  18.983  -3.110
   70    HB3  CYS  11           HB3      CYS  11   6.314  17.975  -3.609
   71    HN1  NH2  12           HN1      NH2  12   6.519  19.074  -7.621
   72    HN2  NH2  12           HN2      NH2  12   6.774  17.334  -7.088
  Start of MODEL    5
    1    H1   VAL   1           H1       VAL   1  10.705   5.104  -2.319
    2    H2   VAL   1           H2       VAL   1  10.511   6.572  -2.980
    3    HA   VAL   1           HA       VAL   1   9.237   5.682  -0.471
    4    HB   VAL   1           HB       VAL   1  10.906   7.260   0.693
    5   HG11  VAL   1          HG11      VAL   1  11.017   4.778   0.935
    6   HG12  VAL   1          HG12      VAL   1  12.031   4.661  -0.522
    7   HG13  VAL   1          HG13      VAL   1  12.639   5.493   0.918
    8   HG21  VAL   1          HG21      VAL   1  13.163   7.537  -0.272
    9   HG22  VAL   1          HG22      VAL   1  12.654   6.802  -1.810
   10   HG23  VAL   1          HG23      VAL   1  12.002   8.367  -1.318
   11    H    CYS   2           H        CYS   2  10.073   8.658  -2.204
   12    HA   CYS   2           HA       CYS   2   7.558  10.033  -1.086
   13    HB2  CYS   2           HB2      CYS   2   9.252  11.738  -0.067
   14    HB3  CYS   2           HB3      CYS   2   9.269  10.135   0.668
   15    H    CYS   3           H        CYS   3   7.806  12.510  -1.492
   16    HA   CYS   3           HA       CYS   3   9.790  13.112  -3.674
   17    HB2  CYS   3           HB2      CYS   3   8.623  14.966  -4.599
   18    HB3  CYS   3           HB3      CYS   3   7.507  13.609  -4.652
   19    H    GLY   4           H        GLY   4  11.293  14.573  -2.969
   20    HA2  GLY   4           HA2      GLY   4  12.608  15.855  -1.372
   21    HA3  GLY   4           HA3      GLY   4  11.116  16.298  -0.592
   22    H    TYR   5           H        TYR   5  13.063  13.316  -0.834
   23    HA   TYR   5           HA       TYR   5  13.945  13.255   1.940
   24    HB2  TYR   5           HB2      TYR   5  11.835  12.790   2.763
   25    HB3  TYR   5           HB3      TYR   5  11.282  11.903   1.418
   26    HD1  TYR   5           HD1      TYR   5  12.506   9.395   1.117
   27    HD2  TYR   5           HD2      TYR   5  12.268  11.616   4.790
   28    HE1  TYR   5           HE1      TYR   5  12.631   7.327   2.376
   29    HE2  TYR   5           HE2      TYR   5  12.410   9.516   6.045
   30    HH   TYR   5           HH       TYR   5  12.534   6.339   4.407
   31    HA   PRO   6           HA       PRO   6  17.416  10.412   1.139
   32    HB2  PRO   6           HB2      PRO   6  15.293   8.328   1.709
   33    HB3  PRO   6           HB3      PRO   6  17.023   8.321   2.154
   34    HG2  PRO   6           HG2      PRO   6  14.859   9.345   3.663
   35    HG3  PRO   6           HG3      PRO   6  16.549   9.686   4.040
   36    HD2  PRO   6           HD2      PRO   6  14.768  11.686   3.344
   37    HD3  PRO   6           HD3      PRO   6  16.507  11.809   3.061
   38    H    LEU   7           H        LEU   7  14.933   8.394  -0.371
   39    HA   LEU   7           HA       LEU   7  16.642   8.380  -2.960
   40    HB2  LEU   7           HB2      LEU   7  14.938   6.161  -1.694
   41    HB3  LEU   7           HB3      LEU   7  15.647   6.037  -3.279
   42    HG   LEU   7           HG       LEU   7  17.407   6.545  -0.800
   43   HD11  LEU   7          HD11      LEU   7  16.595   3.829  -2.005
   44   HD12  LEU   7          HD12      LEU   7  17.837   4.092  -0.749
   45   HD13  LEU   7          HD13      LEU   7  16.139   4.458  -0.404
   46   HD21  LEU   7          HD21      LEU   7  18.503   7.006  -3.040
   47   HD22  LEU   7          HD22      LEU   7  19.217   5.594  -2.246
   48   HD23  LEU   7          HD23      LEU   7  18.074   5.371  -3.593
   49    H    CYS   8           H        CYS   8  14.617  10.359  -2.503
   50    HA   CYS   8           HA       CYS   8  13.225   9.958  -5.192
   51    HB2  CYS   8           HB2      CYS   8  11.133  10.739  -4.395
   52    HB3  CYS   8           HB3      CYS   8  11.615   9.433  -3.305
   53    H    HIS   9           H        HIS   9  12.712  11.830  -6.351
   54    HA   HIS   9           HA       HIS   9  14.510  14.138  -5.990
   55    HB2  HIS   9           HB2      HIS   9  13.673  14.921  -8.073
   56    HB3  HIS   9           HB3      HIS   9  13.961  13.228  -8.224
   57    HD2  HIS   9           HD2      HIS   9  11.409  15.895  -8.776
   58    HE1  HIS   9           HE1      HIS   9   9.133  12.420  -8.947
   59    HE2  HIS   9           HE2      HIS   9   8.994  14.928  -9.388
   60    HA   HYP  10           HA       HYP  10  12.118  17.477  -3.934
   61    HB2  HYP  10           HB2      HYP  10  12.598  18.642  -6.754
   62    HB3  HYP  10           HB3      HYP  10  12.630  19.523  -5.208
   63    HG   HYP  10           HG       HYP  10  14.941  18.736  -6.337
   64   HD22  HYP  10          HD22      HYP  10  14.538  16.527  -6.883
   65   HD23  HYP  10          HD23      HYP  10  15.136  16.223  -5.228
   66    HD1  HYP  10           HD1      HYP  10  14.438  17.851  -3.682
   67    H    CYS  11           H        CYS  11   9.989  18.029  -3.685
   68    HA   CYS  11           HA       CYS  11   7.847  16.954  -5.360
   69    HB2  CYS  11           HB2      CYS  11   7.749  19.213  -3.237
   70    HB3  CYS  11           HB3      CYS  11   6.350  18.339  -3.861
   71    HN1  NH2  12           HN1      NH2  12   6.683  19.564  -7.558
   72    HN2  NH2  12           HN2      NH2  12   6.267  18.003  -6.689
  Start of MODEL    6
    1    H1   VAL   1           H1       VAL   1  10.307   4.857  -2.107
    2    H2   VAL   1           H2       VAL   1  10.400   6.284  -2.875
    3    HA   VAL   1           HA       VAL   1   9.182   5.749  -0.248
    4    HB   VAL   1           HB       VAL   1  11.002   7.269   0.649
    5   HG11  VAL   1          HG11      VAL   1  11.087   4.804   0.990
    6   HG12  VAL   1          HG12      VAL   1  11.962   4.600  -0.548
    7   HG13  VAL   1          HG13      VAL   1  12.714   5.480   0.795
    8   HG21  VAL   1          HG21      VAL   1  13.155   7.487  -0.525
    9   HG22  VAL   1          HG22      VAL   1  12.516   6.686  -1.979
   10   HG23  VAL   1          HG23      VAL   1  11.917   8.279  -1.505
   11    H    CYS   2           H        CYS   2   9.980   8.528  -2.297
   12    HA   CYS   2           HA       CYS   2   7.570  10.090  -1.203
   13    HB2  CYS   2           HB2      CYS   2   9.342  11.816  -0.368
   14    HB3  CYS   2           HB3      CYS   2   9.317  10.284   0.497
   15    H    CYS   3           H        CYS   3   7.530  12.401  -1.905
   16    HA   CYS   3           HA       CYS   3   9.759  13.066  -3.869
   17    HB2  CYS   3           HB2      CYS   3   8.680  15.056  -4.621
   18    HB3  CYS   3           HB3      CYS   3   7.529  13.747  -4.856
   19    H    GLY   4           H        GLY   4  11.248  14.500  -3.071
   20    HA2  GLY   4           HA2      GLY   4  12.492  15.822  -1.463
   21    HA3  GLY   4           HA3      GLY   4  10.975  16.204  -0.695
   22    H    TYR   5           H        TYR   5  13.000  13.274  -0.924
   23    HA   TYR   5           HA       TYR   5  13.892  13.240   1.868
   24    HB2  TYR   5           HB2      TYR   5  11.749  12.717   2.618
   25    HB3  TYR   5           HB3      TYR   5  11.281  11.803   1.261
   26    HD1  TYR   5           HD1      TYR   5  12.488   9.339   0.996
   27    HD2  TYR   5           HD2      TYR   5  12.320  11.582   4.654
   28    HE1  TYR   5           HE1      TYR   5  12.730   7.284   2.270
   29    HE2  TYR   5           HE2      TYR   5  12.570   9.501   5.922
   30    HH   TYR   5           HH       TYR   5  12.729   6.315   4.314
   31    HA   PRO   6           HA       PRO   6  17.417  10.411   1.031
   32    HB2  PRO   6           HB2      PRO   6  15.254   8.370   1.617
   33    HB3  PRO   6           HB3      PRO   6  16.983   8.286   2.039
   34    HG2  PRO   6           HG2      PRO   6  14.910   9.373   3.590
   35    HG3  PRO   6           HG3      PRO   6  16.607   9.707   3.926
   36    HD2  PRO   6           HD2      PRO   6  14.788  11.703   3.248
   37    HD3  PRO   6           HD3      PRO   6  16.524  11.841   2.944
   38    H    LEU   7           H        LEU   7  15.044   8.256  -0.428
   39    HA   LEU   7           HA       LEU   7  16.733   8.294  -3.011
   40    HB2  LEU   7           HB2      LEU   7  14.772   6.190  -1.949
   41    HB3  LEU   7           HB3      LEU   7  15.680   6.050  -3.424
   42    HG   LEU   7           HG       LEU   7  17.047   6.241  -0.670
   43   HD11  LEU   7          HD11      LEU   7  16.306   3.749  -2.351
   44   HD12  LEU   7          HD12      LEU   7  17.266   3.750  -0.851
   45   HD13  LEU   7          HD13      LEU   7  15.565   4.228  -0.808
   46   HD21  LEU   7          HD21      LEU   7  18.558   6.848  -2.600
   47   HD22  LEU   7          HD22      LEU   7  19.021   5.278  -1.918
   48   HD23  LEU   7          HD23      LEU   7  18.113   5.348  -3.445
   49    H    CYS   8           H        CYS   8  14.796  10.416  -2.666
   50    HA   CYS   8           HA       CYS   8  13.408  10.012  -5.349
   51    HB2  CYS   8           HB2      CYS   8  11.283  10.757  -4.593
   52    HB3  CYS   8           HB3      CYS   8  11.765   9.425  -3.522
   53    H    HIS   9           H        HIS   9  12.814  11.882  -6.480
   54    HA   HIS   9           HA       HIS   9  14.544  14.247  -6.151
   55    HB2  HIS   9           HB2      HIS   9  13.512  15.112  -8.134
   56    HB3  HIS   9           HB3      HIS   9  13.847  13.429  -8.388
   57    HD2  HIS   9           HD2      HIS   9  11.126  16.009  -8.492
   58    HE1  HIS   9           HE1      HIS   9   8.978  12.460  -8.527
   59    HE2  HIS   9           HE2      HIS   9   8.689  14.971  -8.783
   60    HA   HYP  10           HA       HYP  10  12.196  17.440  -3.752
   61    HB2  HYP  10           HB2      HYP  10  12.438  18.595  -6.605
   62    HB3  HYP  10           HB3      HYP  10  12.488  19.506  -5.077
   63    HG   HYP  10           HG       HYP  10  14.790  18.799  -6.315
   64   HD22  HYP  10          HD22      HYP  10  14.531  16.569  -6.777
   65   HD23  HYP  10          HD23      HYP  10  15.143  16.321  -5.121
   66    HD1  HYP  10           HD1      HYP  10  14.470  17.978  -3.607
   67    H    CYS  11           H        CYS  11  10.167  18.218  -3.414
   68    HA   CYS  11           HA       CYS  11   7.839  17.220  -5.007
   69    HB2  CYS  11           HB2      CYS  11   8.005  19.150  -2.611
   70    HB3  CYS  11           HB3      CYS  11   6.507  18.521  -3.310
   71    HN1  NH2  12           HN1      NH2  12   6.871  20.107  -6.946
   72    HN2  NH2  12           HN2      NH2  12   6.431  18.438  -6.327
  Start of MODEL    7
    1    H1   VAL   1           H1       VAL   1   9.773   4.859  -1.523
    2    H2   VAL   1           H2       VAL   1  10.004   6.175  -2.455
    3    HA   VAL   1           HA       VAL   1   8.623   6.079   0.154
    4    HB   VAL   1           HB       VAL   1  10.506   7.645   0.925
    5   HG11  VAL   1          HG11      VAL   1  10.338   5.333   1.749
    6   HG12  VAL   1          HG12      VAL   1  11.222   4.714   0.328
    7   HG13  VAL   1          HG13      VAL   1  12.040   5.754   1.510
    8   HG21  VAL   1          HG21      VAL   1  12.747   7.452  -0.069
    9   HG22  VAL   1          HG22      VAL   1  12.141   6.445  -1.403
   10   HG23  VAL   1          HG23      VAL   1  11.679   8.149  -1.289
   11    H    CYS   2           H        CYS   2  10.016   8.712  -1.676
   12    HA   CYS   2           HA       CYS   2   7.588  10.443  -0.916
   13    HB2  CYS   2           HB2      CYS   2   9.503  11.998  -0.146
   14    HB3  CYS   2           HB3      CYS   2   9.372  10.477   0.735
   15    H    CYS   3           H        CYS   3   7.892  12.773  -1.649
   16    HA   CYS   3           HA       CYS   3  10.024  13.060  -3.784
   17    HB2  CYS   3           HB2      CYS   3   8.984  15.033  -4.739
   18    HB3  CYS   3           HB3      CYS   3   7.889  13.675  -4.898
   19    H    GLY   4           H        GLY   4  11.600  14.520  -3.185
   20    HA2  GLY   4           HA2      GLY   4  13.023  15.761  -1.662
   21    HA3  GLY   4           HA3      GLY   4  11.567  16.409  -0.968
   22    H    TYR   5           H        TYR   5  13.477  13.411  -0.865
   23    HA   TYR   5           HA       TYR   5  14.091  13.356   1.956
   24    HB2  TYR   5           HB2      TYR   5  11.842  13.102   2.571
   25    HB3  TYR   5           HB3      TYR   5  11.401  12.119   1.253
   26    HD1  TYR   5           HD1      TYR   5  12.326   9.511   1.312
   27    HD2  TYR   5           HD2      TYR   5  12.269  12.142   4.701
   28    HE1  TYR   5           HE1      TYR   5  12.191   7.593   2.801
   29    HE2  TYR   5           HE2      TYR   5  12.154  10.195   6.191
   30    HH   TYR   5           HH       TYR   5  11.849   6.876   4.963
   31    HA   PRO   6           HA       PRO   6  17.319  10.130   1.400
   32    HB2  PRO   6           HB2      PRO   6  15.011   8.271   2.018
   33    HB3  PRO   6           HB3      PRO   6  16.715   8.132   2.520
   34    HG2  PRO   6           HG2      PRO   6  14.598   9.440   3.877
   35    HG3  PRO   6           HG3      PRO   6  16.289   9.614   4.332
   36    HD2  PRO   6           HD2      PRO   6  14.761  11.770   3.463
   37    HD3  PRO   6           HD3      PRO   6  16.512  11.692   3.225
   38    H    LEU   7           H        LEU   7  14.690   8.275  -0.076
   39    HA   LEU   7           HA       LEU   7  16.398   8.107  -2.654
   40    HB2  LEU   7           HB2      LEU   7  14.459   5.988  -1.601
   41    HB3  LEU   7           HB3      LEU   7  15.418   5.892  -3.059
   42    HG   LEU   7           HG       LEU   7  16.538   5.940  -0.193
   43   HD11  LEU   7          HD11      LEU   7  16.452   3.632  -2.250
   44   HD12  LEU   7          HD12      LEU   7  17.083   3.557  -0.589
   45   HD13  LEU   7          HD13      LEU   7  15.351   3.804  -0.862
   46   HD21  LEU   7          HD21      LEU   7  18.215   6.952  -1.730
   47   HD22  LEU   7          HD22      LEU   7  18.737   5.328  -1.263
   48   HD23  LEU   7          HD23      LEU   7  18.039   5.609  -2.880
   49    H    CYS   8           H        CYS   8  14.824  10.291  -2.551
   50    HA   CYS   8           HA       CYS   8  13.297   9.797  -5.139
   51    HB2  CYS   8           HB2      CYS   8  11.286  10.953  -4.382
   52    HB3  CYS   8           HB3      CYS   8  11.591   9.551  -3.346
   53    H    HIS   9           H        HIS   9  12.648  11.786  -6.256
   54    HA   HIS   9           HA       HIS   9  14.713  14.009  -6.092
   55    HB2  HIS   9           HB2      HIS   9  13.963  14.716  -8.233
   56    HB3  HIS   9           HB3      HIS   9  14.186  13.005  -8.313
   57    HD2  HIS   9           HD2      HIS   9  11.689  15.754  -8.931
   58    HE1  HIS   9           HE1      HIS   9   9.301  12.377  -8.947
   59    HE2  HIS   9           HE2      HIS   9   9.253  14.860  -9.357
   60    HA   HYP  10           HA       HYP  10  12.228  17.456  -4.215
   61    HB2  HYP  10           HB2      HYP  10  12.587  18.378  -7.133
   62    HB3  HYP  10           HB3      HYP  10  12.603  19.403  -5.684
   63    HG   HYP  10           HG       HYP  10  14.880  18.564  -6.884
   64   HD22  HYP  10          HD22      HYP  10  14.765  16.292  -6.995
   65   HD23  HYP  10          HD23      HYP  10  15.238  16.267  -5.279
   66    HD1  HYP  10           HD1      HYP  10  14.940  18.062  -4.111
   67    H    CYS  11           H        CYS  11  10.130  18.235  -4.092
   68    HA   CYS  11           HA       CYS  11   7.950  16.878  -5.604
   69    HB2  CYS  11           HB2      CYS  11   7.930  19.251  -3.595
   70    HB3  CYS  11           HB3      CYS  11   6.500  18.375  -4.141
   71    HN1  NH2  12           HN1      NH2  12   6.696  19.428  -7.863
   72    HN2  NH2  12           HN2      NH2  12   6.313  17.858  -6.990
  Start of MODEL    8
    1    H1   VAL   1           H1       VAL   1   9.748   4.986  -2.023
    2    H2   VAL   1           H2       VAL   1   9.912   6.376  -2.851
    3    HA   VAL   1           HA       VAL   1   8.311   5.981  -0.407
    4    HB   VAL   1           HB       VAL   1  10.059   7.656   0.622
    5   HG11  VAL   1          HG11      VAL   1   9.761   5.381   1.481
    6   HG12  VAL   1          HG12      VAL   1  10.755   4.701   0.173
    7   HG13  VAL   1          HG13      VAL   1  11.495   5.742   1.400
    8   HG21  VAL   1          HG21      VAL   1  12.377   7.505  -0.106
    9   HG22  VAL   1          HG22      VAL   1  11.968   6.342  -1.390
   10   HG23  VAL   1          HG23      VAL   1  11.459   8.029  -1.536
   11    H    CYS   2           H        CYS   2   9.630   8.716  -2.223
   12    HA   CYS   2           HA       CYS   2   7.264  10.442  -1.255
   13    HB2  CYS   2           HB2      CYS   2   9.192  11.810  -0.147
   14    HB3  CYS   2           HB3      CYS   2   8.971  10.200   0.529
   15    H    CYS   3           H        CYS   3   8.000  12.872  -1.569
   16    HA   CYS   3           HA       CYS   3  10.076  13.165  -3.727
   17    HB2  CYS   3           HB2      CYS   3   9.236  15.238  -4.620
   18    HB3  CYS   3           HB3      CYS   3   7.990  14.014  -4.803
   19    H    GLY   4           H        GLY   4  11.723  14.561  -3.112
   20    HA2  GLY   4           HA2      GLY   4  13.250  15.592  -1.517
   21    HA3  GLY   4           HA3      GLY   4  11.832  16.315  -0.804
   22    H    TYR   5           H        TYR   5  13.300  13.074  -0.857
   23    HA   TYR   5           HA       TYR   5  13.966  12.881   1.981
   24    HB2  TYR   5           HB2      TYR   5  11.638  12.888   2.515
   25    HB3  TYR   5           HB3      TYR   5  11.184  11.884   1.204
   26    HD1  TYR   5           HD1      TYR   5  11.622   9.318   1.349
   27    HD2  TYR   5           HD2      TYR   5  12.356  11.917   4.695
   28    HE1  TYR   5           HE1      TYR   5  11.445   7.425   2.858
   29    HE2  TYR   5           HE2      TYR   5  12.226   9.978   6.198
   30    HH   TYR   5           HH       TYR   5  11.462   6.702   4.957
   31    HA   PRO   6           HA       PRO   6  17.010   9.549   1.226
   32    HB2  PRO   6           HB2      PRO   6  14.460   7.929   1.536
   33    HB3  PRO   6           HB3      PRO   6  16.118   7.475   2.032
   34    HG2  PRO   6           HG2      PRO   6  14.219   8.875   3.573
   35    HG3  PRO   6           HG3      PRO   6  15.933   8.839   3.967
   36    HD2  PRO   6           HD2      PRO   6  14.604  11.219   3.355
   37    HD3  PRO   6           HD3      PRO   6  16.333  10.998   3.100
   38    H    LEU   7           H        LEU   7  14.500   7.909  -0.567
   39    HA   LEU   7           HA       LEU   7  16.452   7.609  -2.872
   40    HB2  LEU   7           HB2      LEU   7  13.651   6.407  -2.731
   41    HB3  LEU   7           HB3      LEU   7  14.959   5.944  -3.771
   42    HG   LEU   7           HG       LEU   7  14.895   5.469  -0.736
   43   HD11  LEU   7          HD11      LEU   7  14.582   3.533  -3.129
   44   HD12  LEU   7          HD12      LEU   7  14.622   3.069  -1.414
   45   HD13  LEU   7          HD13      LEU   7  13.289   4.057  -2.029
   46   HD21  LEU   7          HD21      LEU   7  17.267   5.771  -1.520
   47   HD22  LEU   7          HD22      LEU   7  16.962   4.053  -1.147
   48   HD23  LEU   7          HD23      LEU   7  17.018   4.615  -2.827
   49    H    CYS   8           H        CYS   8  13.774   9.712  -2.330
   50    HA   CYS   8           HA       CYS   8  13.025   9.885  -5.282
   51    HB2  CYS   8           HB2      CYS   8  11.022  10.933  -4.512
   52    HB3  CYS   8           HB3      CYS   8  11.281   9.472  -3.548
   53    H    HIS   9           H        HIS   9  12.814  11.869  -6.399
   54    HA   HIS   9           HA       HIS   9  14.882  13.925  -5.857
   55    HB2  HIS   9           HB2      HIS   9  14.270  14.931  -7.913
   56    HB3  HIS   9           HB3      HIS   9  14.361  13.218  -8.159
   57    HD2  HIS   9           HD2      HIS   9  12.128  16.233  -8.572
   58    HE1  HIS   9           HE1      HIS   9   9.527  13.051  -9.229
   59    HE2  HIS   9           HE2      HIS   9   9.690  15.598  -9.455
   60    HA   HYP  10           HA       HYP  10  12.770  17.422  -3.707
   61    HB2  HYP  10           HB2      HYP  10  13.713  18.658  -6.371
   62    HB3  HYP  10           HB3      HYP  10  13.660  19.436  -4.769
   63    HG   HYP  10           HG       HYP  10  15.983  18.387  -5.669
   64   HD22  HYP  10          HD22      HYP  10  15.322  16.312  -6.464
   65   HD23  HYP  10          HD23      HYP  10  15.686  15.807  -4.790
   66    HD1  HYP  10           HD1      HYP  10  16.324  17.506  -3.477
   67    H    CYS  11           H        CYS  11  10.716  18.092  -3.576
   68    HA   CYS  11           HA       CYS  11   8.591  17.280  -5.343
   69    HB2  CYS  11           HB2      CYS  11   8.633  19.519  -3.194
   70    HB3  CYS  11           HB3      CYS  11   7.175  18.788  -3.864
   71    HN1  NH2  12           HN1      NH2  12   8.216  19.747  -7.910
   72    HN2  NH2  12           HN2      NH2  12   8.158  17.990  -7.403
  Start of MODEL    9
    1    H1   VAL   1           H1       VAL   1   9.636   5.436  -3.269
    2    H2   VAL   1           H2       VAL   1  11.017   5.022  -2.508
    3    HA   VAL   1           HA       VAL   1   9.249   5.579  -0.989
    4    HB   VAL   1           HB       VAL   1  10.528   7.335   0.421
    5   HG11  VAL   1          HG11      VAL   1  10.650   4.901   0.872
    6   HG12  VAL   1          HG12      VAL   1  11.940   4.716  -0.347
    7   HG13  VAL   1          HG13      VAL   1  12.236   5.654   1.131
    8   HG21  VAL   1          HG21      VAL   1  12.864   7.811  -0.021
    9   HG22  VAL   1          HG22      VAL   1  12.896   6.749  -1.436
   10   HG23  VAL   1          HG23      VAL   1  12.028   8.285  -1.513
   11    H    CYS   2           H        CYS   2  10.259   8.678  -2.260
   12    HA   CYS   2           HA       CYS   2   7.461   9.818  -1.666
   13    HB2  CYS   2           HB2      CYS   2   8.966  11.599  -0.453
   14    HB3  CYS   2           HB3      CYS   2   8.931   9.989   0.255
   15    H    CYS   3           H        CYS   3   7.609  12.403  -2.092
   16    HA   CYS   3           HA       CYS   3   9.976  12.995  -3.899
   17    HB2  CYS   3           HB2      CYS   3   9.070  15.135  -4.570
   18    HB3  CYS   3           HB3      CYS   3   7.928  13.891  -5.042
   19    H    GLY   4           H        GLY   4  11.405  14.507  -3.045
   20    HA2  GLY   4           HA2      GLY   4  12.709  15.593  -1.343
   21    HA3  GLY   4           HA3      GLY   4  11.188  16.071  -0.634
   22    H    TYR   5           H        TYR   5  13.108  13.059  -0.798
   23    HA   TYR   5           HA       TYR   5  13.867  12.839   1.975
   24    HB2  TYR   5           HB2      TYR   5  11.615  12.647   2.712
   25    HB3  TYR   5           HB3      TYR   5  11.090  11.697   1.382
   26    HD1  TYR   5           HD1      TYR   5  11.528   9.210   1.327
   27    HD2  TYR   5           HD2      TYR   5  12.611  11.559   4.757
   28    HE1  TYR   5           HE1      TYR   5  11.578   7.198   2.681
   29    HE2  TYR   5           HE2      TYR   5  12.702   9.519   6.110
   30    HH   TYR   5           HH       TYR   5  11.646   6.359   4.784
   31    HA   PRO   6           HA       PRO   6  17.161   9.928   0.955
   32    HB2  PRO   6           HB2      PRO   6  15.024   7.819   1.260
   33    HB3  PRO   6           HB3      PRO   6  16.737   7.792   1.776
   34    HG2  PRO   6           HG2      PRO   6  14.417   8.770   3.191
   35    HG3  PRO   6           HG3      PRO   6  16.063   8.827   3.807
   36    HD2  PRO   6           HD2      PRO   6  14.706  11.160   3.293
   37    HD3  PRO   6           HD3      PRO   6  16.433  11.057   2.952
   38    H    LEU   7           H        LEU   7  15.221   7.694  -0.804
   39    HA   LEU   7           HA       LEU   7  16.890   8.018  -3.186
   40    HB2  LEU   7           HB2      LEU   7  14.120   6.716  -3.146
   41    HB3  LEU   7           HB3      LEU   7  15.310   6.493  -4.382
   42    HG   LEU   7           HG       LEU   7  15.822   5.598  -1.498
   43   HD11  LEU   7          HD11      LEU   7  14.625   4.001  -3.846
   44   HD12  LEU   7          HD12      LEU   7  15.173   3.301  -2.306
   45   HD13  LEU   7          HD13      LEU   7  13.809   4.428  -2.330
   46   HD21  LEU   7          HD21      LEU   7  17.896   5.838  -2.895
   47   HD22  LEU   7          HD22      LEU   7  17.553   4.137  -2.561
   48   HD23  LEU   7          HD23      LEU   7  17.184   4.818  -4.168
   49    H    CYS   8           H        CYS   8  14.043   9.845  -2.455
   50    HA   CYS   8           HA       CYS   8  13.257  10.164  -5.373
   51    HB2  CYS   8           HB2      CYS   8  11.166  10.847  -4.561
   52    HB3  CYS   8           HB3      CYS   8  11.619   9.442  -3.585
   53    H    HIS   9           H        HIS   9  13.118  12.073  -6.458
   54    HA   HIS   9           HA       HIS   9  14.724  14.337  -5.781
   55    HB2  HIS   9           HB2      HIS   9  13.941  15.390  -7.733
   56    HB3  HIS   9           HB3      HIS   9  14.061  13.700  -8.106
   57    HD2  HIS   9           HD2      HIS   9  11.803  16.650  -8.186
   58    HE1  HIS   9           HE1      HIS   9   9.064  13.540  -8.498
   59    HE2  HIS   9           HE2      HIS   9   9.261  16.100  -8.723
   60    HA   HYP  10           HA       HYP  10  12.508  17.574  -3.233
   61    HB2  HYP  10           HB2      HYP  10  13.193  18.843  -5.963
   62    HB3  HYP  10           HB3      HYP  10  13.201  19.656  -4.383
   63    HG   HYP  10           HG       HYP  10  15.476  18.712  -5.517
   64   HD22  HYP  10          HD22      HYP  10  15.105  16.532  -5.994
   65   HD23  HYP  10          HD23      HYP  10  15.414  16.196  -4.271
   66    HD1  HYP  10           HD1      HYP  10  16.235  18.196  -3.401
   67    H    CYS  11           H        CYS  11  10.321  18.006  -2.970
   68    HA   CYS  11           HA       CYS  11   8.307  17.217  -4.860
   69    HB2  CYS  11           HB2      CYS  11   8.162  19.085  -2.401
   70    HB3  CYS  11           HB3      CYS  11   6.744  18.473  -3.257
   71    HN1  NH2  12           HN1      NH2  12   7.089  19.952  -6.825
   72    HN2  NH2  12           HN2      NH2  12   6.765  18.272  -6.156
  Start of MODEL   10
    1    H1   VAL   1           H1       VAL   1   9.290   5.817  -3.945
    2    H2   VAL   1           H2       VAL   1  10.555   5.127  -3.188
    3    HA   VAL   1           HA       VAL   1   8.871   5.681  -1.647
    4    HB   VAL   1           HB       VAL   1  10.200   7.211  -0.037
    5   HG11  VAL   1          HG11      VAL   1  10.253   4.714   0.098
    6   HG12  VAL   1          HG12      VAL   1  11.626   4.674  -1.026
    7   HG13  VAL   1          HG13      VAL   1  11.797   5.445   0.571
    8   HG21  VAL   1          HG21      VAL   1  12.535   7.685  -0.404
    9   HG22  VAL   1          HG22      VAL   1  12.569   6.761  -1.922
   10   HG23  VAL   1          HG23      VAL   1  11.737   8.303  -1.865
   11    H    CYS   2           H        CYS   2   9.997   8.740  -3.018
   12    HA   CYS   2           HA       CYS   2   7.375  10.139  -2.225
   13    HB2  CYS   2           HB2      CYS   2   8.928  11.667  -0.783
   14    HB3  CYS   2           HB3      CYS   2   8.751  10.014  -0.199
   15    H    CYS   3           H        CYS   3   7.766  12.631  -2.383
   16    HA   CYS   3           HA       CYS   3  10.176  13.281  -4.085
   17    HB2  CYS   3           HB2      CYS   3   9.343  15.438  -4.754
   18    HB3  CYS   3           HB3      CYS   3   8.181  14.235  -5.291
   19    H    GLY   4           H        GLY   4  11.617  14.631  -3.048
   20    HA2  GLY   4           HA2      GLY   4  12.793  15.679  -1.218
   21    HA3  GLY   4           HA3      GLY   4  11.233  16.114  -0.584
   22    H    TYR   5           H        TYR   5  12.946  12.962  -0.780
   23    HA   TYR   5           HA       TYR   5  13.385  12.626   2.112
   24    HB2  TYR   5           HB2      TYR   5  11.033  12.562   2.413
   25    HB3  TYR   5           HB3      TYR   5  10.700  11.665   0.998
   26    HD1  TYR   5           HD1      TYR   5  11.231   9.083   0.978
   27    HD2  TYR   5           HD2      TYR   5  11.431  11.448   4.551
   28    HE1  TYR   5           HE1      TYR   5  10.995   7.072   2.311
   29    HE2  TYR   5           HE2      TYR   5  11.235   9.418   5.895
   30    HH   TYR   5           HH       TYR   5  11.196   6.204   4.391
   31    HA   PRO   6           HA       PRO   6  16.580   9.391   1.611
   32    HB2  PRO   6           HB2      PRO   6  14.038   7.744   1.443
   33    HB3  PRO   6           HB3      PRO   6  15.625   7.240   2.087
   34    HG2  PRO   6           HG2      PRO   6  13.577   8.480   3.546
   35    HG3  PRO   6           HG3      PRO   6  15.245   8.496   4.097
   36    HD2  PRO   6           HD2      PRO   6  13.833  10.842   3.474
   37    HD3  PRO   6           HD3      PRO   6  15.588  10.731   3.456
   38    H    LEU   7           H        LEU   7  14.590   7.643  -0.646
   39    HA   LEU   7           HA       LEU   7  16.826   7.839  -2.649
   40    HB2  LEU   7           HB2      LEU   7  14.189   6.428  -3.203
   41    HB3  LEU   7           HB3      LEU   7  15.712   6.207  -3.989
   42    HG   LEU   7           HG       LEU   7  15.199   5.392  -1.063
   43   HD11  LEU   7          HD11      LEU   7  15.241   3.684  -3.639
   44   HD12  LEU   7          HD12      LEU   7  15.094   3.065  -1.976
   45   HD13  LEU   7          HD13      LEU   7  13.806   4.067  -2.662
   46   HD21  LEU   7          HD21      LEU   7  17.629   5.828  -1.503
   47   HD22  LEU   7          HD22      LEU   7  17.339   4.094  -1.327
   48   HD23  LEU   7          HD23      LEU   7  17.588   4.789  -2.947
   49    H    CYS   8           H        CYS   8  14.061   9.819  -2.308
   50    HA   CYS   8           HA       CYS   8  13.674  10.174  -5.308
   51    HB2  CYS   8           HB2      CYS   8  11.533  11.021  -4.803
   52    HB3  CYS   8           HB3      CYS   8  11.739   9.553  -3.838
   53    H    HIS   9           H        HIS   9  13.421  12.153  -6.287
   54    HA   HIS   9           HA       HIS   9  15.181  14.387  -5.598
   55    HB2  HIS   9           HB2      HIS   9  14.283  15.486  -7.521
   56    HB3  HIS   9           HB3      HIS   9  14.553  13.822  -7.945
   57    HD2  HIS   9           HD2      HIS   9  12.120  16.524  -8.285
   58    HE1  HIS   9           HE1      HIS   9   9.496  13.309  -7.972
   59    HE2  HIS   9           HE2      HIS   9   9.558  15.790  -8.536
   60    HA   HYP  10           HA       HYP  10  12.728  17.504  -3.037
   61    HB2  HYP  10           HB2      HYP  10  13.805  18.792  -5.628
   62    HB3  HYP  10           HB3      HYP  10  13.582  19.597  -4.063
   63    HG   HYP  10           HG       HYP  10  16.018  18.658  -4.715
   64   HD22  HYP  10          HD22      HYP  10  15.582  16.548  -5.515
   65   HD23  HYP  10          HD23      HYP  10  15.736  16.045  -3.820
   66    HD1  HYP  10           HD1      HYP  10  16.153  17.744  -2.466
   67    H    CYS  11           H        CYS  11  10.660  18.258  -3.000
   68    HA   CYS  11           HA       CYS  11   8.704  17.609  -5.109
   69    HB2  CYS  11           HB2      CYS  11   8.501  19.360  -2.563
   70    HB3  CYS  11           HB3      CYS  11   7.129  18.821  -3.536
   71    HN1  NH2  12           HN1      NH2  12   7.949  20.694  -6.797
   72    HN2  NH2  12           HN2      NH2  12   7.523  18.925  -6.520
  Start of MODEL   11
    1    H1   VAL   1           H1       VAL   1  12.506   5.098  -2.611
    2    H2   VAL   1           H2       VAL   1  12.321   6.593  -3.220
    3    HA   VAL   1           HA       VAL   1  10.435   5.230  -1.413
    4    HB   VAL   1           HB       VAL   1  11.216   7.037   0.282
    5   HG11  VAL   1          HG11      VAL   1  11.696   4.607   0.580
    6   HG12  VAL   1          HG12      VAL   1  13.163   4.750  -0.418
    7   HG13  VAL   1          HG13      VAL   1  13.055   5.593   1.144
    8   HG21  VAL   1          HG21      VAL   1  13.497   7.879   0.215
    9   HG22  VAL   1          HG22      VAL   1  13.862   6.998  -1.274
   10   HG23  VAL   1          HG23      VAL   1  12.775   8.387  -1.321
   11    H    CYS   2           H        CYS   2  11.102   8.583  -2.170
   12    HA   CYS   2           HA       CYS   2   8.109   9.152  -1.829
   13    HB2  CYS   2           HB2      CYS   2   9.207  11.052  -0.420
   14    HB3  CYS   2           HB3      CYS   2   9.511   9.420   0.160
   15    H    CYS   3           H        CYS   3   7.851  11.717  -1.988
   16    HA   CYS   3           HA       CYS   3  10.004  12.889  -3.764
   17    HB2  CYS   3           HB2      CYS   3   8.696  14.692  -4.610
   18    HB3  CYS   3           HB3      CYS   3   7.814  13.221  -4.991
   19    H    GLY   4           H        GLY   4  11.120  14.538  -2.758
   20    HA2  GLY   4           HA2      GLY   4  12.057  15.806  -0.928
   21    HA3  GLY   4           HA3      GLY   4  10.433  15.954  -0.319
   22    H    TYR   5           H        TYR   5  12.821  13.319  -0.495
   23    HA   TYR   5           HA       TYR   5  13.468  13.112   2.332
   24    HB2  TYR   5           HB2      TYR   5  11.266  12.442   2.847
   25    HB3  TYR   5           HB3      TYR   5  11.029  11.500   1.436
   26    HD1  TYR   5           HD1      TYR   5  12.337  11.467   4.893
   27    HD2  TYR   5           HD2      TYR   5  11.830   9.101   1.347
   28    HE1  TYR   5           HE1      TYR   5  12.671   9.414   6.200
   29    HE2  TYR   5           HE2      TYR   5  12.111   7.068   2.661
   30    HH   TYR   5           HH       TYR   5  12.041   6.228   4.817
   31    HA   PRO   6           HA       PRO   6  17.329  10.822   1.479
   32    HB2  PRO   6           HB2      PRO   6  15.483   8.432   1.536
   33    HB3  PRO   6           HB3      PRO   6  17.144   8.590   2.166
   34    HG2  PRO   6           HG2      PRO   6  14.650   9.165   3.470
   35    HG3  PRO   6           HG3      PRO   6  16.230   9.482   4.181
   36    HD2  PRO   6           HD2      PRO   6  14.518  11.568   3.627
   37    HD3  PRO   6           HD3      PRO   6  16.259  11.765   3.442
   38    H    LEU   7           H        LEU   7  15.809   8.441  -0.488
   39    HA   LEU   7           HA       LEU   7  17.706   9.101  -2.688
   40    HB2  LEU   7           HB2      LEU   7  15.418   7.051  -2.681
   41    HB3  LEU   7           HB3      LEU   7  16.668   7.119  -3.866
   42    HG   LEU   7           HG       LEU   7  17.293   6.553  -0.906
   43   HD11  LEU   7          HD11      LEU   7  16.796   4.603  -3.254
   44   HD12  LEU   7          HD12      LEU   7  17.448   4.139  -1.667
   45   HD13  LEU   7          HD13      LEU   7  15.799   4.776  -1.796
   46   HD21  LEU   7          HD21      LEU   7  19.267   7.380  -2.198
   47   HD22  LEU   7          HD22      LEU   7  19.455   5.655  -1.882
   48   HD23  LEU   7          HD23      LEU   7  18.968   6.204  -3.498
   49    H    CYS   8           H        CYS   8  14.679  10.523  -2.273
   50    HA   CYS   8           HA       CYS   8  13.895  10.341  -5.223
   51    HB2  CYS   8           HB2      CYS   8  11.704  10.658  -4.504
   52    HB3  CYS   8           HB3      CYS   8  12.403   9.461  -3.415
   53    H    HIS   9           H        HIS   9  12.491  12.179  -6.022
   54    HA   HIS   9           HA       HIS   9  14.158  14.644  -6.172
   55    HB2  HIS   9           HB2      HIS   9  12.725  15.311  -7.969
   56    HB3  HIS   9           HB3      HIS   9  13.180  13.656  -8.216
   57    HD2  HIS   9           HD2      HIS   9  10.306  15.893  -8.472
   58    HE1  HIS   9           HE1      HIS   9   8.427  12.241  -7.779
   59    HE2  HIS   9           HE2      HIS   9   7.931  14.647  -8.512
   60    HA   HYP  10           HA       HYP  10  11.654  17.839  -3.814
   61    HB2  HYP  10           HB2      HYP  10  11.940  18.946  -6.667
   62    HB3  HYP  10           HB3      HYP  10  11.996  19.860  -5.140
   63    HG   HYP  10           HG       HYP  10  14.256  19.203  -6.456
   64   HD22  HYP  10          HD22      HYP  10  14.003  16.940  -6.868
   65   HD23  HYP  10          HD23      HYP  10  14.741  16.769  -5.248
   66    HD1  HYP  10           HD1      HYP  10  15.225  19.462  -4.572
   67    H    CYS  11           H        CYS  11   9.450  17.804  -3.468
   68    HA   CYS  11           HA       CYS  11   7.498  16.647  -5.284
   69    HB2  CYS  11           HB2      CYS  11   6.961  18.578  -2.942
   70    HB3  CYS  11           HB3      CYS  11   5.753  17.576  -3.743
   71    HN1  NH2  12           HN1      NH2  12   7.175  20.552  -6.492
   72    HN2  NH2  12           HN2      NH2  12   8.079  20.205  -4.949
  Start of MODEL   12
    1    H1   VAL   1           H1       VAL   1  11.485   6.893  -3.124
    2    H2   VAL   1           H2       VAL   1  10.153   5.955  -3.287
    3    HA   VAL   1           HA       VAL   1  10.039   5.584  -0.906
    4    HB   VAL   1           HB       VAL   1  11.316   7.313   0.556
    5   HG11  VAL   1          HG11      VAL   1  11.643   4.879   0.791
    6   HG12  VAL   1          HG12      VAL   1  12.839   4.883  -0.533
    7   HG13  VAL   1          HG13      VAL   1  13.176   5.735   0.994
    8   HG21  VAL   1          HG21      VAL   1  13.622   7.891  -0.071
    9   HG22  VAL   1          HG22      VAL   1  13.427   7.157  -1.682
   10   HG23  VAL   1          HG23      VAL   1  12.529   8.617  -1.246
   11    H    CYS   2           H        CYS   2  10.477   8.775  -2.322
   12    HA   CYS   2           HA       CYS   2   7.768   9.706  -1.189
   13    HB2  CYS   2           HB2      CYS   2   9.259  11.616  -0.157
   14    HB3  CYS   2           HB3      CYS   2   9.448  10.022   0.564
   15    H    CYS   3           H        CYS   3   7.783  12.275  -1.533
   16    HA   CYS   3           HA       CYS   3   9.719  13.018  -3.691
   17    HB2  CYS   3           HB2      CYS   3   8.554  14.863  -4.600
   18    HB3  CYS   3           HB3      CYS   3   7.538  13.456  -4.801
   19    H    GLY   4           H        GLY   4  11.152  14.485  -2.976
   20    HA2  GLY   4           HA2      GLY   4  12.422  15.806  -1.397
   21    HA3  GLY   4           HA3      GLY   4  10.912  16.298  -0.701
   22    H    TYR   5           H        TYR   5  13.087  13.517  -0.719
   23    HA   TYR   5           HA       TYR   5  13.733  13.341   2.049
   24    HB2  TYR   5           HB2      TYR   5  11.588  12.859   2.801
   25    HB3  TYR   5           HB3      TYR   5  11.116  11.922   1.452
   26    HD1  TYR   5           HD1      TYR   5  12.157   9.458   1.241
   27    HD2  TYR   5           HD2      TYR   5  12.335  11.774   4.855
   28    HE1  TYR   5           HE1      TYR   5  12.294   7.411   2.551
   29    HE2  TYR   5           HE2      TYR   5  12.522   9.695   6.150
   30    HH   TYR   5           HH       TYR   5  11.787   6.589   4.698
   31    HA   PRO   6           HA       PRO   6  17.343  10.692   1.188
   32    HB2  PRO   6           HB2      PRO   6  15.242   8.534   1.535
   33    HB3  PRO   6           HB3      PRO   6  16.965   8.485   2.008
   34    HG2  PRO   6           HG2      PRO   6  14.773   9.385   3.563
   35    HG3  PRO   6           HG3      PRO   6  16.447   9.717   3.994
   36    HD2  PRO   6           HD2      PRO   6  14.656  11.757   3.405
   37    HD3  PRO   6           HD3      PRO   6  16.393  11.917   3.132
   38    H    LEU   7           H        LEU   7  15.791   8.203  -0.419
   39    HA   LEU   7           HA       LEU   7  17.316   8.845  -2.932
   40    HB2  LEU   7           HB2      LEU   7  15.599   6.402  -2.188
   41    HB3  LEU   7           HB3      LEU   7  16.653   6.503  -3.574
   42    HG   LEU   7           HG       LEU   7  17.654   6.598  -0.664
   43   HD11  LEU   7          HD11      LEU   7  17.701   4.293  -2.730
   44   HD12  LEU   7          HD12      LEU   7  18.423   4.261  -1.104
   45   HD13  LEU   7          HD13      LEU   7  16.665   4.377  -1.294
   46   HD21  LEU   7          HD21      LEU   7  19.264   7.756  -2.178
   47   HD22  LEU   7          HD22      LEU   7  19.921   6.176  -1.723
   48   HD23  LEU   7          HD23      LEU   7  19.204   6.402  -3.334
   49    H    CYS   8           H        CYS   8  14.556  10.268  -2.386
   50    HA   CYS   8           HA       CYS   8  13.423   9.816  -5.208
   51    HB2  CYS   8           HB2      CYS   8  11.297  10.441  -4.489
   52    HB3  CYS   8           HB3      CYS   8  11.878   9.286  -3.291
   53    H    HIS   9           H        HIS   9  12.512  11.685  -6.313
   54    HA   HIS   9           HA       HIS   9  14.272  14.078  -6.257
   55    HB2  HIS   9           HB2      HIS   9  13.061  14.882  -8.139
   56    HB3  HIS   9           HB3      HIS   9  13.430  13.206  -8.403
   57    HD2  HIS   9           HD2      HIS   9  10.669  15.669  -8.565
   58    HE1  HIS   9           HE1      HIS   9   8.581  12.086  -8.169
   59    HE2  HIS   9           HE2      HIS   9   8.229  14.586  -8.663
   60    HA   HYP  10           HA       HYP  10  11.915  17.240  -3.771
   61    HB2  HYP  10           HB2      HYP  10  12.335  18.508  -6.552
   62    HB3  HYP  10           HB3      HYP  10  12.380  19.335  -4.979
   63    HG   HYP  10           HG       HYP  10  14.656  18.584  -6.233
   64   HD22  HYP  10          HD22      HYP  10  14.323  16.370  -6.766
   65   HD23  HYP  10          HD23      HYP  10  14.912  16.059  -5.108
   66    HD1  HYP  10           HD1      HYP  10  15.617  18.372  -4.243
   67    H    CYS  11           H        CYS  11   9.777  17.877  -3.525
   68    HA   CYS  11           HA       CYS  11   7.630  16.790  -5.203
   69    HB2  CYS  11           HB2      CYS  11   7.564  18.981  -3.040
   70    HB3  CYS  11           HB3      CYS  11   6.131  18.215  -3.728
   71    HN1  NH2  12           HN1      NH2  12   7.677  20.625  -6.706
   72    HN2  NH2  12           HN2      NH2  12   8.494  20.331  -5.096
  Start of MODEL   13
    1    H1   VAL   1           H1       VAL   1  10.715   6.322  -3.470
    2    H2   VAL   1           H2       VAL   1   9.415   5.339  -3.418
    3    HA   VAL   1           HA       VAL   1   9.128   5.551  -1.113
    4    HB   VAL   1           HB       VAL   1  10.587   7.225   0.198
    5   HG11  VAL   1          HG11      VAL   1  10.559   4.831   0.748
    6   HG12  VAL   1          HG12      VAL   1  11.730   4.469  -0.547
    7   HG13  VAL   1          HG13      VAL   1  12.222   5.430   0.858
    8   HG21  VAL   1          HG21      VAL   1  12.956   7.465  -0.335
    9   HG22  VAL   1          HG22      VAL   1  12.814   6.475  -1.802
   10   HG23  VAL   1          HG23      VAL   1  12.071   8.075  -1.741
   11    H    CYS   2           H        CYS   2  10.315   8.519  -2.585
   12    HA   CYS   2           HA       CYS   2   7.652   9.892  -1.871
   13    HB2  CYS   2           HB2      CYS   2   9.253  11.465  -0.563
   14    HB3  CYS   2           HB3      CYS   2   9.171   9.821   0.054
   15    H    CYS   3           H        CYS   3   7.909  12.336  -2.091
   16    HA   CYS   3           HA       CYS   3  10.216  13.119  -3.881
   17    HB2  CYS   3           HB2      CYS   3   9.190  15.173  -4.610
   18    HB3  CYS   3           HB3      CYS   3   8.089  13.868  -5.034
   19    H    GLY   4           H        GLY   4  11.579  14.638  -2.891
   20    HA2  GLY   4           HA2      GLY   4  12.686  15.799  -1.075
   21    HA3  GLY   4           HA3      GLY   4  11.088  16.140  -0.466
   22    H    TYR   5           H        TYR   5  12.605  12.977  -0.588
   23    HA   TYR   5           HA       TYR   5  13.298  12.865   2.344
   24    HB2  TYR   5           HB2      TYR   5  10.975  12.490   2.604
   25    HB3  TYR   5           HB3      TYR   5  10.779  11.588   1.164
   26    HD1  TYR   5           HD1      TYR   5  11.949   9.109   1.108
   27    HD2  TYR   5           HD2      TYR   5  11.023  11.293   4.691
   28    HE1  TYR   5           HE1      TYR   5  11.818   7.024   2.351
   29    HE2  TYR   5           HE2      TYR   5  10.926   9.174   5.930
   30    HH   TYR   5           HH       TYR   5  11.498   6.042   4.332
   31    HA   PRO   6           HA       PRO   6  16.837   9.998   1.844
   32    HB2  PRO   6           HB2      PRO   6  14.558   8.004   1.705
   33    HB3  PRO   6           HB3      PRO   6  16.194   7.771   2.391
   34    HG2  PRO   6           HG2      PRO   6  13.943   8.702   3.797
   35    HG3  PRO   6           HG3      PRO   6  15.589   8.960   4.364
   36    HD2  PRO   6           HD2      PRO   6  13.862  11.055   3.702
   37    HD3  PRO   6           HD3      PRO   6  15.625  11.198   3.736
   38    H    LEU   7           H        LEU   7  15.080   7.952  -0.365
   39    HA   LEU   7           HA       LEU   7  16.896   8.985  -2.649
   40    HB2  LEU   7           HB2      LEU   7  15.642   6.219  -2.289
   41    HB3  LEU   7           HB3      LEU   7  16.445   6.755  -3.742
   42    HG   LEU   7           HG       LEU   7  17.819   6.465  -1.006
   43   HD11  LEU   7          HD11      LEU   7  18.039   4.781  -3.605
   44   HD12  LEU   7          HD12      LEU   7  18.908   4.488  -2.080
   45   HD13  LEU   7          HD13      LEU   7  17.147   4.298  -2.147
   46   HD21  LEU   7          HD21      LEU   7  18.999   8.241  -2.314
   47   HD22  LEU   7          HD22      LEU   7  19.971   6.768  -2.320
   48   HD23  LEU   7          HD23      LEU   7  19.031   7.210  -3.766
   49    H    CYS   8           H        CYS   8  15.537  10.686  -3.079
   50    HA   CYS   8           HA       CYS   8  13.794  10.219  -5.308
   51    HB2  CYS   8           HB2      CYS   8  11.609  10.991  -4.638
   52    HB3  CYS   8           HB3      CYS   8  12.034   9.555  -3.691
   53    H    HIS   9           H        HIS   9  12.939  12.125  -6.302
   54    HA   HIS   9           HA       HIS   9  14.695  14.506  -6.190
   55    HB2  HIS   9           HB2      HIS   9  13.297  15.393  -7.984
   56    HB3  HIS   9           HB3      HIS   9  13.795  13.778  -8.340
   57    HD2  HIS   9           HD2      HIS   9  10.829  15.974  -8.420
   58    HE1  HIS   9           HE1      HIS   9   9.036  12.269  -7.837
   59    HE2  HIS   9           HE2      HIS   9   8.488  14.683  -8.427
   60    HA   HYP  10           HA       HYP  10  12.350  17.617  -3.648
   61    HB2  HYP  10           HB2      HYP  10  12.688  19.068  -6.338
   62    HB3  HYP  10           HB3      HYP  10  12.854  19.752  -4.712
   63    HG   HYP  10           HG       HYP  10  14.990  19.044  -6.262
   64   HD22  HYP  10          HD22      HYP  10  14.652  16.859  -6.785
   65   HD23  HYP  10          HD23      HYP  10  15.366  16.522  -5.179
   66    HD1  HYP  10           HD1      HYP  10  16.128  18.965  -4.452
   67    H    CYS  11           H        CYS  11  10.244  18.461  -3.471
   68    HA   CYS  11           HA       CYS  11   8.129  17.134  -5.097
   69    HB2  CYS  11           HB2      CYS  11   8.013  19.185  -2.789
   70    HB3  CYS  11           HB3      CYS  11   6.601  18.399  -3.496
   71    HN1  NH2  12           HN1      NH2  12   8.177  20.942  -6.592
   72    HN2  NH2  12           HN2      NH2  12   9.034  20.650  -4.987
  Start of MODEL   14
    1    H1   VAL   1           H1       VAL   1  11.106   6.210  -2.988
    2    H2   VAL   1           H2       VAL   1   9.797   5.224  -3.034
    3    HA   VAL   1           HA       VAL   1   9.277   5.610  -0.743
    4    HB   VAL   1           HB       VAL   1  10.494   7.505   0.496
    5   HG11  VAL   1          HG11      VAL   1  10.583   5.155   1.264
    6   HG12  VAL   1          HG12      VAL   1  11.937   4.811   0.158
    7   HG13  VAL   1          HG13      VAL   1  12.155   5.938   1.507
    8   HG21  VAL   1          HG21      VAL   1  12.892   7.848   0.148
    9   HG22  VAL   1          HG22      VAL   1  12.926   6.736  -1.241
   10   HG23  VAL   1          HG23      VAL   1  12.096   8.294  -1.364
   11    H    CYS   2           H        CYS   2  10.444   8.588  -2.115
   12    HA   CYS   2           HA       CYS   2   7.584   9.697  -1.978
   13    HB2  CYS   2           HB2      CYS   2   8.921  11.558  -0.753
   14    HB3  CYS   2           HB3      CYS   2   8.934   9.983   0.036
   15    H    CYS   3           H        CYS   3   7.658  12.156  -2.536
   16    HA   CYS   3           HA       CYS   3  10.098  12.846  -4.174
   17    HB2  CYS   3           HB2      CYS   3   9.109  14.809  -5.162
   18    HB3  CYS   3           HB3      CYS   3   8.081  13.441  -5.578
   19    H    GLY   4           H        GLY   4  11.259  14.597  -3.309
   20    HA2  GLY   4           HA2      GLY   4  12.247  15.919  -1.523
   21    HA3  GLY   4           HA3      GLY   4  10.608  16.257  -1.029
   22    H    TYR   5           H        TYR   5  12.603  13.317  -0.834
   23    HA   TYR   5           HA       TYR   5  13.105  13.408   2.051
   24    HB2  TYR   5           HB2      TYR   5  10.807  13.010   2.445
   25    HB3  TYR   5           HB3      TYR   5  10.593  11.926   1.134
   26    HD1  TYR   5           HD1      TYR   5  11.487   9.482   1.338
   27    HD2  TYR   5           HD2      TYR   5  11.390  12.168   4.690
   28    HE1  TYR   5           HE1      TYR   5  11.432   7.584   2.857
   29    HE2  TYR   5           HE2      TYR   5  11.367  10.234   6.213
   30    HH   TYR   5           HH       TYR   5  11.104   6.907   4.946
   31    HA   PRO   6           HA       PRO   6  16.703  10.601   1.785
   32    HB2  PRO   6           HB2      PRO   6  14.519   8.520   2.081
   33    HB3  PRO   6           HB3      PRO   6  16.176   8.488   2.751
   34    HG2  PRO   6           HG2      PRO   6  13.835   9.558   3.942
   35    HG3  PRO   6           HG3      PRO   6  15.452   9.872   4.559
   36    HD2  PRO   6           HD2      PRO   6  13.830  11.921   3.612
   37    HD3  PRO   6           HD3      PRO   6  15.591  12.004   3.537
   38    H    LEU   7           H        LEU   7  15.208   8.010   0.181
   39    HA   LEU   7           HA       LEU   7  16.843   8.632  -2.318
   40    HB2  LEU   7           HB2      LEU   7  15.313   6.108  -1.497
   41    HB3  LEU   7           HB3      LEU   7  16.222   6.270  -2.979
   42    HG   LEU   7           HG       LEU   7  17.480   6.448  -0.177
   43   HD11  LEU   7          HD11      LEU   7  17.517   4.167  -2.269
   44   HD12  LEU   7          HD12      LEU   7  18.322   4.163  -0.678
   45   HD13  LEU   7          HD13      LEU   7  16.559   4.184  -0.772
   46   HD21  LEU   7          HD21      LEU   7  18.870   7.706  -1.883
   47   HD22  LEU   7          HD22      LEU   7  19.673   6.185  -1.448
   48   HD23  LEU   7          HD23      LEU   7  18.799   6.318  -2.988
   49    H    CYS   8           H        CYS   8  14.905  10.430  -2.248
   50    HA   CYS   8           HA       CYS   8  13.824   9.891  -5.034
   51    HB2  CYS   8           HB2      CYS   8  11.617  10.635  -4.636
   52    HB3  CYS   8           HB3      CYS   8  11.940   9.358  -3.453
   53    H    HIS   9           H        HIS   9  13.317  11.785  -6.277
   54    HA   HIS   9           HA       HIS   9  15.002  14.161  -5.772
   55    HB2  HIS   9           HB2      HIS   9  14.160  15.030  -7.854
   56    HB3  HIS   9           HB3      HIS   9  14.617  13.367  -8.051
   57    HD2  HIS   9           HD2      HIS   9  11.760  15.780  -8.480
   58    HE1  HIS   9           HE1      HIS   9   9.811  12.109  -8.570
   59    HE2  HIS   9           HE2      HIS   9   9.400  14.610  -8.869
   60    HA   HYP  10           HA       HYP  10  12.353  17.362  -3.660
   61    HB2  HYP  10           HB2      HYP  10  13.176  18.544  -6.392
   62    HB3  HYP  10           HB3      HYP  10  12.962  19.437  -4.870
   63    HG   HYP  10           HG       HYP  10  15.431  18.648  -5.665
   64   HD22  HYP  10          HD22      HYP  10  15.206  16.427  -6.176
   65   HD23  HYP  10          HD23      HYP  10  15.442  16.150  -4.426
   66    HD1  HYP  10           HD1      HYP  10  15.968  18.752  -3.588
   67    H    CYS  11           H        CYS  11  10.199  17.910  -3.622
   68    HA   CYS  11           HA       CYS  11   8.315  17.104  -5.782
   69    HB2  CYS  11           HB2      CYS  11   7.835  18.846  -3.293
   70    HB3  CYS  11           HB3      CYS  11   6.582  18.122  -4.307
   71    HN1  NH2  12           HN1      NH2  12   8.603  21.217  -6.282
   72    HN2  NH2  12           HN2      NH2  12   9.068  20.544  -4.634
  Start of MODEL   15
    1    H1   VAL   1           H1       VAL   1  10.352   6.388  -2.520
    2    H2   VAL   1           H2       VAL   1   8.890   5.669  -2.373
    3    HA   VAL   1           HA       VAL   1   8.899   5.971   0.016
    4    HB   VAL   1           HB       VAL   1  10.508   7.745   0.954
    5   HG11  VAL   1          HG11      VAL   1  10.541   5.385   1.707
    6   HG12  VAL   1          HG12      VAL   1  11.627   4.946   0.366
    7   HG13  VAL   1          HG13      VAL   1  12.182   6.054   1.643
    8   HG21  VAL   1          HG21      VAL   1  12.795   7.899   0.112
    9   HG22  VAL   1          HG22      VAL   1  12.462   6.780  -1.233
   10   HG23  VAL   1          HG23      VAL   1  11.735   8.392  -1.210
   11    H    CYS   2           H        CYS   2   9.839   8.625  -2.101
   12    HA   CYS   2           HA       CYS   2   7.251  10.149  -1.433
   13    HB2  CYS   2           HB2      CYS   2   8.912  11.965  -0.513
   14    HB3  CYS   2           HB3      CYS   2   8.777  10.492   0.446
   15    H    CYS   3           H        CYS   3   7.456  12.527  -2.273
   16    HA   CYS   3           HA       CYS   3   9.859  12.831  -4.136
   17    HB2  CYS   3           HB2      CYS   3   8.949  14.888  -5.082
   18    HB3  CYS   3           HB3      CYS   3   7.861  13.545  -5.394
   19    H    GLY   4           H        GLY   4  11.334  14.342  -3.503
   20    HA2  GLY   4           HA2      GLY   4  12.671  15.694  -2.041
   21    HA3  GLY   4           HA3      GLY   4  11.164  16.257  -1.366
   22    H    TYR   5           H        TYR   5  12.822  13.124  -1.102
   23    HA   TYR   5           HA       TYR   5  13.771  13.457   1.682
   24    HB2  TYR   5           HB2      TYR   5  11.515  13.349   2.394
   25    HB3  TYR   5           HB3      TYR   5  11.011  12.219   1.206
   26    HD1  TYR   5           HD1      TYR   5  11.695   9.705   1.462
   27    HD2  TYR   5           HD2      TYR   5  12.283  12.572   4.597
   28    HE1  TYR   5           HE1      TYR   5  11.679   7.918   3.083
   29    HE2  TYR   5           HE2      TYR   5  12.338  10.753   6.235
   30    HH   TYR   5           HH       TYR   5  11.621   7.372   5.286
   31    HA   PRO   6           HA       PRO   6  17.012  10.230   1.238
   32    HB2  PRO   6           HB2      PRO   6  14.568   8.528   1.837
   33    HB3  PRO   6           HB3      PRO   6  16.269   8.212   2.295
   34    HG2  PRO   6           HG2      PRO   6  14.376   9.658   3.786
   35    HG3  PRO   6           HG3      PRO   6  16.111   9.804   4.073
   36    HD2  PRO   6           HD2      PRO   6  14.529  11.970   3.254
   37    HD3  PRO   6           HD3      PRO   6  16.267  11.878   2.969
   38    H    LEU   7           H        LEU   7  15.144   7.758  -0.057
   39    HA   LEU   7           HA       LEU   7  16.521   8.098  -2.744
   40    HB2  LEU   7           HB2      LEU   7  14.777   5.801  -1.701
   41    HB3  LEU   7           HB3      LEU   7  15.692   5.798  -3.190
   42    HG   LEU   7           HG       LEU   7  16.933   5.922  -0.374
   43   HD11  LEU   7          HD11      LEU   7  16.808   3.632  -2.448
   44   HD12  LEU   7          HD12      LEU   7  17.650   3.585  -0.882
   45   HD13  LEU   7          HD13      LEU   7  15.885   3.719  -0.933
   46   HD21  LEU   7          HD21      LEU   7  18.448   7.072  -2.007
   47   HD22  LEU   7          HD22      LEU   7  19.122   5.500  -1.561
   48   HD23  LEU   7          HD23      LEU   7  18.320   5.701  -3.137
   49    H    CYS   8           H        CYS   8  14.532  10.044  -2.331
   50    HA   CYS   8           HA       CYS   8  13.279   9.678  -5.086
   51    HB2  CYS   8           HB2      CYS   8  11.164  10.507  -4.486
   52    HB3  CYS   8           HB3      CYS   8  11.503   9.235  -3.299
   53    H    HIS   9           H        HIS   9  12.974  11.611  -6.272
   54    HA   HIS   9           HA       HIS   9  14.875  13.823  -5.605
   55    HB2  HIS   9           HB2      HIS   9  14.491  14.701  -7.788
   56    HB3  HIS   9           HB3      HIS   9  14.692  12.984  -7.948
   57    HD2  HIS   9           HD2      HIS   9  12.218  15.849  -8.463
   58    HE1  HIS   9           HE1      HIS   9  10.094  12.467  -9.603
   59    HE2  HIS   9           HE2      HIS   9  10.009  15.008  -9.716
   60    HA   HYP  10           HA       HYP  10  12.526  17.386  -3.791
   61    HB2  HYP  10           HB2      HYP  10  12.862  18.247  -6.704
   62    HB3  HYP  10           HB3      HYP  10  13.050  19.246  -5.256
   63    HG   HYP  10           HG       HYP  10  15.070  17.922  -6.742
   64   HD22  HYP  10          HD22      HYP  10  15.388  15.843  -5.913
   65   HD23  HYP  10          HD23      HYP  10  15.216  16.344  -4.219
   66    HD1  HYP  10           HD1      HYP  10  16.260  18.977  -5.388
   67    H    CYS  11           H        CYS  11  10.384  17.900  -3.471
   68    HA   CYS  11           HA       CYS  11   8.218  17.172  -5.427
   69    HB2  CYS  11           HB2      CYS  11   8.123  18.876  -2.848
   70    HB3  CYS  11           HB3      CYS  11   6.724  18.416  -3.803
   71    HN1  NH2  12           HN1      NH2  12   8.586  21.270  -5.738
   72    HN2  NH2  12           HN2      NH2  12   9.338  20.438  -4.289