*HEADER    TOXIN                                   22-SEP-06   2IFZ              
*TITLE     LYS6 VARIANT OF IMI CONOTOXIN                                         
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ALPHA-CONOTOXIN IMI;                                       
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: CHEMICALLY SYNTHESIZED USING FMOC SOLID               
*SOURCE   4 PHASE PEPTIDE SYNTHESIS.                                             
*KEYWDS    CONOTOXIN, RIBBON CONFORMATION, DISULFIDE LINKAGE, NMR                
*EXPDTA    NMR, 15 STRUCTURES                                                    
*AUTHOR    R.M.KINI, T.S.KANG                                                    
*REVDAT   1   14-AUG-07 2IFZ    0                                                

!BIOSYM restraint 1
!
#distance
1:CYS_2:HA         1:CYS_3:HN          1.900  5.000  1.00  1.00 1000.000
1:SER_4:HB*        1:SER_4:HN          1.900  3.800  1.00  1.00 1000.000
1:SER_4:HA         1:SER_4:HN          1.900  3.800  1.00  1.00 1000.000
1:CYS_3:HA         1:SER_4:HN          1.900  3.100  1.00  1.00 1000.000
1:CYS_3:HA         1:CYS_3:HN          1.900  3.100  1.00  1.00 1000.000
1:GLYn_1:HA*       1:CYS_2:HN          1.900  3.800  1.00  1.00 1000.000
1:CYS_2:HA         1:CYS_2:HN          1.900  3.800  1.00  1.00 1000.000
1:ALA_9:HB*        1:ALA_9:HN          1.900  3.100  1.00  1.00 1000.000
1:LYS_6:HG*        1:LYS_6:HN          1.900  3.800  1.00  1.00 1000.000
1:LYS_6:HB*        1:LYS_6:HN          1.900  3.800  1.00  1.00 1000.000
1:ASP_5:HB*        1:LYS_6:HN          1.900  5.000  1.00  1.00 1000.000
1:LYS_6:HA         1:LYS_6:HN          1.900  3.100  1.00  1.00 1000.000
1:ALA_9:HA         1:ALA_9:HN          1.900  3.800  1.00  1.00 1000.000
1:CYS_8:HA         1:ALA_9:HN          1.900  3.100  1.00  1.00 1000.000
1:ARG_11:HG*       1:ARG_11:HN         1.900  5.000  1.00  1.00 1000.000
1:ARG_11:HB*       1:ARG_11:HN         1.900  3.800  1.00  1.00 1000.000
1:ARG_11:HA        1:ARG_11:HN         1.900  3.800  1.00  1.00 1000.000
1:ARG_11:HA        1:CYS_12:HN         1.900  3.100  1.00  1.00 1000.000
1:CYS_12:HN        1:CYS_12:HA         1.900  3.100  1.00  1.00 1000.000
1:TRP_10:HA        1:ARG_11:HN         1.900  3.100  1.00  1.00 1000.000
1:LYS_6:HG*        1:ARG_7:NH*         1.900  5.000  1.00  1.00 1000.000
1:ARG_7:HG*        1:ARG_7:HN          1.900  3.800  1.00  1.00 1000.000
1:ARG_7:HB*        1:ARG_7:HN          1.900  3.800  1.00  1.00 1000.000
1:ASP_5:HB*        1:ARG_7:HN          1.900  5.000  1.00  1.00 1000.000
1:LYS_6:HA         1:ARG_7:HN          1.900  5.000  1.00  1.00 1000.000
1:ARG_7:HA         1:ARG_7:HN          1.900  3.800  1.00  1.00 1000.000
1:ALA_9:HB*        1:TRP_10:HN         1.900  5.000  1.00  1.00 1000.000
1:ASP_5:HB*        1:ASP_5:HN          1.900  5.000  1.00  1.00 1000.000
1:LYS_6:HA         1:CYS_8:HN          1.900  5.000  1.00  1.00 1000.000
1:ARG_7:HA         1:CYS_8:HN          1.900  3.800  1.00  1.00 1000.000
1:SER_4:HA         1:ASP_5:HN          1.900  3.800  1.00  1.00 1000.000
1:CYS_8:HA         1:CYS_8:HN          1.900  3.800  1.00  1.00 1000.000
1:TRP_10:HB*       1:TRP_10:HN         1.900  3.800  1.00  1.00 1000.000
1:ALA_9:HA         1:TRP_10:HN         1.900  3.800  1.00  1.00 1000.000
1:TRP_10:HA        1:TRP_10:HN         1.900  5.000  1.00  1.00 1000.000
1:ASP_5:HA         1:ASP_5:HN          1.900  3.800  1.00  1.00 1000.000
1:SER_4:HN         1:ASP_5:HN          1.900  5.000  1.00  1.00 1000.000
1:CYS_3:HN         1:CYS_12:HN         1.900  5.000  1.00  1.00 1000.000
1:CYS_3:HN         1:CYS_2:HN          1.900  5.000  1.00  1.00 1000.000
1:LYS_6:HN         1:ARG_7:HN          1.900  5.000  1.00  1.00 1000.000
1:CYS_8:HN         1:ALA_9:HN          1.900  5.000  1.00  1.00 1000.000
1:TRP_10:HN        1:ALA_9:HN          1.900  5.000  1.00  1.00 1000.000
1:TRP_10:HN        1:ARG_11:HN         1.900  5.000  1.00  1.00 1000.000
1:ARG_7:HN         1:CYS_8:HN          1.900  5.000  1.00  1.00 1000.000
1:ARG_11:HG*       1:ARG_11:NH*        1.900  5.000  1.00  1.00 1000.000
1:ARG_11:HB*       1:ARG_11:NH*        1.900  5.000  1.00  1.00 1000.000
1:ARG_11:HD*       1:ARG_11:NH*        1.900  3.100  1.00  1.00 1000.000
1:ARG_7:HD*        1:ARG_7:NH*         1.900  5.000  1.00  1.00 1000.000
1:ARG_7:HB*        1:ARG_7:NH*         1.900  5.000  1.00  1.00 1000.000
1:ARG_7:HG*        1:ARG_7:NH*         1.900  5.000  1.00  1.00 1000.000
1:ALA_9:HB*        1:ALA_9:HA          1.900  3.800  1.00  1.00 1000.000
1:ARG_7:HG*        1:ARG_7:HA          1.900  5.000  1.00  1.00 1000.000
1:ARG_7:HB*        1:ARG_7:HA          1.900  5.000  1.00  1.00 1000.000
1:LYS_6:HG*        1:LYS_6:HA          1.900  5.000  1.00  1.00 1000.000
1:LYS_6:HD*        1:LYS_6:HA          1.900  5.000  1.00  1.00 1000.000
1:LYS_6:HB*        1:LYS_6:HA          1.900  3.100  1.00  1.00 1000.000
1:LYS_6:HE*        1:LYS_6:HA          1.900  5.000  1.00  1.00 1000.000
1:ARG_7:HG*        1:ARG_7:HD*         1.900  3.100  1.00  1.00 1000.000
1:ARG_7:HB*        1:ARG_7:HD*         1.900  3.800  1.00  1.00 1000.000
1:ARG_11:HG*       1:ARG_11:HD*        1.900  3.100  1.00  1.00 1000.000
1:ARG_11:HB*       1:ARG_11:HD*        1.900  3.800  1.00  1.00 1000.000
1:LYS_6:HD*        1:LYS_6:HE*         1.900  3.100  1.00  1.00 1000.000
1:LYS_6:HB*        1:LYS_6:HE*         1.900  5.000  1.00  1.00 1000.000
1:CYS_2:HB1        1:CYS_2:HB2         1.900  3.100  1.00  1.00 1000.000
1:SER_4:HB1        1:SER_4:HB2         1.900  3.100  1.00  1.00 1000.000
1:ASP_5:HB2        1:ASP_5:HB1         1.900  3.100  1.00  1.00 1000.000
1:SER_4:HB*        1:SER_4:HA          1.900  3.800  1.00  1.00 1000.000



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           H1       GLY   1  10.408  13.974  -3.607
    2    H2   GLY   1           H2       GLY   1  11.148  13.893  -5.051
    3    HA2  GLY   1           HA2      GLY   1  10.673  16.278  -5.483
    4    HA3  GLY   1           HA3      GLY   1   9.898  16.353  -3.913
    5    H    CYS   2           H        CYS   2  11.190  17.046  -2.319
    6    HA   CYS   2           HA       CYS   2  14.250  17.131  -2.727
    7    HB2  CYS   2           HB2      CYS   2  13.080  19.327  -2.849
    8    HB3  CYS   2           HB3      CYS   2  12.392  19.085  -1.228
    9    H    CYS   3           H        CYS   3  14.281  14.936  -1.778
   10    HA   CYS   3           HA       CYS   3  13.973  14.673   1.186
   11    HB2  CYS   3           HB2      CYS   3  14.847  12.418   0.834
   12    HB3  CYS   3           HB3      CYS   3  13.685  12.755  -0.452
   13    H    SER   4           H        SER   4  15.507  14.852   2.750
   14    HA   SER   4           HA       SER   4  18.238  15.999   2.153
   15    HB2  SER   4           HB2      SER   4  18.466  16.231   4.559
   16    HB3  SER   4           HB3      SER   4  16.940  16.905   4.010
   17    HG   SER   4           HG       SER   4  15.884  15.462   5.206
   18    H    ASP   5           H        ASP   5  18.520  13.950   0.841
   19    HA   ASP   5           HA       ASP   5  20.629  12.258   2.165
   20    HB2  ASP   5           HB2      ASP   5  18.491  11.090   2.787
   21    HB3  ASP   5           HB3      ASP   5  17.992  11.005   1.117
   22    HD2  ASP   5           HD2      ASP   5  20.091   8.375   0.306
   23    H    LYS   6           H        LYS   6  21.826  10.954   0.665
   24    HA   LYS   6           HA       LYS   6  22.607  12.426  -1.710
   25    HB2  LYS   6           HB2      LYS   6  24.070  11.116  -0.132
   26    HB3  LYS   6           HB3      LYS   6  23.354   9.616  -0.675
   27    HG2  LYS   6           HG2      LYS   6  25.557   9.908  -1.657
   28    HG3  LYS   6           HG3      LYS   6  24.346   9.876  -2.920
   29    HD2  LYS   6           HD2      LYS   6  25.992  11.558  -3.482
   30    HD3  LYS   6           HD3      LYS   6  24.469  12.373  -3.158
   31    HE2  LYS   6           HE2      LYS   6  25.274  13.051  -0.866
   32    HE3  LYS   6           HE3      LYS   6  26.773  12.141  -1.089
   33    HZ1  LYS   6           HZ1      LYS   6  27.351  13.539  -2.946
   34    HZ3  LYS   6           HZ3      LYS   6  25.915  14.295  -2.965
   35    H    ARG   7           H        ARG   7  21.212   9.067  -1.800
   36    HA   ARG   7           HA       ARG   7  21.097   9.269  -4.803
   37    HB2  ARG   7           HB2      ARG   7  20.576   6.996  -2.824
   38    HB3  ARG   7           HB3      ARG   7  20.208   6.807  -4.510
   39    HG2  ARG   7           HG2      ARG   7  22.396   6.851  -5.265
   40    HG3  ARG   7           HG3      ARG   7  23.008   7.879  -3.996
   41    HD2  ARG   7           HD2      ARG   7  22.071   5.003  -3.357
   42    HD3  ARG   7           HD3      ARG   7  23.671   5.316  -4.043
   43   HH11  ARG   7          HH11      ARG   7  23.991   3.789  -2.429
   44   HH12  ARG   7          HH12      ARG   7  24.867   3.624  -0.814
   45   HH21  ARG   7          HH21      ARG   7  24.153   6.843  -0.002
   46   HH22  ARG   7          HH22      ARG   7  24.945   5.244   0.467
   47    H    CYS   8           H        CYS   8  18.529   9.381  -2.376
   48    HA   CYS   8           HA       CYS   8  16.260   9.092  -4.252
   49    HB2  CYS   8           HB2      CYS   8  14.920  10.084  -2.407
   50    HB3  CYS   8           HB3      CYS   8  15.960   8.779  -1.841
   51    H    ALA   9           H        ALA   9  17.836  12.146  -3.151
   52    HA   ALA   9           HA       ALA   9  16.995  13.459  -5.771
   53    HB1  ALA   9           HB1      ALA   9  15.090  13.832  -4.095
   54    HB2  ALA   9           HB2      ALA   9  16.222  14.715  -3.053
   55    HB3  ALA   9           HB3      ALA   9  15.842  15.336  -4.671
   56    H    TRP  10           H        TRP  10  19.226  13.500  -6.245
   57    HA   TRP  10           HA       TRP  10  21.429  14.265  -6.231
   58    HB2  TRP  10           HB2      TRP  10  21.644  16.647  -6.664
   59    HB3  TRP  10           HB3      TRP  10  20.361  15.869  -7.525
   60    HD1  TRP  10           HD1      TRP  10  17.763  16.503  -6.872
   61    HE1  TRP  10           HE1      TRP  10  16.661  18.758  -5.981
   62    HE3  TRP  10           HE3      TRP  10  22.064  18.613  -5.102
   63    HZ2  TRP  10           HZ2      TRP  10  17.710  21.054  -4.726
   64    HZ3  TRP  10           HZ3      TRP  10  21.955  20.870  -4.095
   65    HH2  TRP  10           HH2      TRP  10  19.801  22.064  -3.893
   66    H    ARG  11           H        ARG  11  20.742  16.672  -3.925
   67    HA   ARG  11           HA       ARG  11  21.123  15.082  -1.668
   68    HB2  ARG  11           HB2      ARG  11  23.612  15.194  -2.106
   69    HB3  ARG  11           HB3      ARG  11  23.571  16.937  -1.996
   70    HG2  ARG  11           HG2      ARG  11  22.765  16.656   0.469
   71    HG3  ARG  11           HG3      ARG  11  22.972  14.916   0.273
   72    HD2  ARG  11           HD2      ARG  11  25.418  15.277  -0.312
   73    HD3  ARG  11           HD3      ARG  11  25.229  17.007  -0.217
   74   HH11  ARG  11          HH11      ARG  11  24.513  18.329   1.210
   75   HH12  ARG  11          HH12      ARG  11  24.778  18.927   2.927
   76   HH21  ARG  11          HH21      ARG  11  25.655  15.795   3.928
   77   HH22  ARG  11          HH22      ARG  11  25.437  17.574   4.371
   78    H    CYS  12           H        CYS  12  19.046  16.195  -1.825
   79    HA   CYS  12           HA       CYS  12  18.952  19.114  -1.923
   80    HB2  CYS  12           HB2      CYS  12  17.503  17.483  -3.199
   81    HB3  CYS  12           HB3      CYS  12  16.620  17.124  -1.708
   82    HN1  NH2  13           HN1      NH2  13  18.268  20.148   1.435
   83    HN2  NH2  13           HN2      NH2  13  19.174  20.440  -0.134
  Start of MODEL    2
    1    H1   GLY   1           H1       GLY   1  11.071  13.786  -2.523
    2    H2   GLY   1           H2       GLY   1  11.819  13.277  -3.873
    3    HA2  GLY   1           HA2      GLY   1  10.735  15.112  -5.185
    4    HA3  GLY   1           HA3      GLY   1  10.038  15.683  -3.685
    5    H    CYS   2           H        CYS   2  11.299  16.884  -2.364
    6    HA   CYS   2           HA       CYS   2  14.289  17.320  -3.007
    7    HB2  CYS   2           HB2      CYS   2  12.945  19.373  -3.175
    8    HB3  CYS   2           HB3      CYS   2  12.250  19.133  -1.565
    9    H    CYS   3           H        CYS   3  14.744  15.278  -1.997
   10    HA   CYS   3           HA       CYS   3  14.396  15.026   1.017
   11    HB2  CYS   3           HB2      CYS   3  15.035  12.712   0.665
   12    HB3  CYS   3           HB3      CYS   3  13.876  13.106  -0.609
   13    H    SER   4           H        SER   4  16.067  15.226   2.473
   14    HA   SER   4           HA       SER   4  18.758  16.244   1.564
   15    HB2  SER   4           HB2      SER   4  19.168  16.748   3.871
   16    HB3  SER   4           HB3      SER   4  17.537  17.269   3.468
   17    HG   SER   4           HG       SER   4  16.809  15.208   4.410
   18    H    ASP   5           H        ASP   5  18.577  13.796   0.546
   19    HA   ASP   5           HA       ASP   5  20.760  12.177   1.936
   20    HB2  ASP   5           HB2      ASP   5  18.389  11.465   2.709
   21    HB3  ASP   5           HB3      ASP   5  18.030  10.997   1.055
   22    HD2  ASP   5           HD2      ASP   5  18.824   7.968   2.544
   23    H    LYS   6           H        LYS   6  21.918  10.839   0.603
   24    HA   LYS   6           HA       LYS   6  22.636  11.969  -1.846
   25    HB2  LYS   6           HB2      LYS   6  24.017  10.585  -0.245
   26    HB3  LYS   6           HB3      LYS   6  23.234   9.138  -0.847
   27    HG2  LYS   6           HG2      LYS   6  25.386   9.264  -1.873
   28    HG3  LYS   6           HG3      LYS   6  24.210   9.575  -3.139
   29    HD2  LYS   6           HD2      LYS   6  24.647  12.077  -2.942
   30    HD3  LYS   6           HD3      LYS   6  25.786  11.775  -1.625
   31    HE2  LYS   6           HE2      LYS   6  27.231  10.392  -3.224
   32    HE3  LYS   6           HE3      LYS   6  26.093  10.735  -4.535
   33    HZ1  LYS   6           HZ1      LYS   6  28.010  12.307  -4.410
   34    HZ3  LYS   6           HZ3      LYS   6  26.559  13.062  -4.366
   35    H    ARG   7           H        ARG   7  20.950   8.788  -1.828
   36    HA   ARG   7           HA       ARG   7  20.924   8.701  -4.820
   37    HB2  ARG   7           HB2      ARG   7  19.822   6.860  -2.630
   38    HB3  ARG   7           HB3      ARG   7  19.406   6.566  -4.287
   39    HG2  ARG   7           HG2      ARG   7  21.590   6.088  -5.002
   40    HG3  ARG   7           HG3      ARG   7  22.378   6.928  -3.691
   41    HD2  ARG   7           HD2      ARG   7  20.678   4.377  -3.209
   42    HD3  ARG   7           HD3      ARG   7  22.385   4.305  -3.656
   43   HH11  ARG   7          HH11      ARG   7  21.787   2.735  -1.977
   44   HH12  ARG   7          HH12      ARG   7  22.267   2.379  -0.235
   45   HH21  ARG   7          HH21      ARG   7  22.618   5.645   0.489
   46   HH22  ARG   7          HH22      ARG   7  22.688   3.881   1.036
   47    H    CYS   8           H        CYS   8  18.268   9.326  -2.528
   48    HA   CYS   8           HA       CYS   8  16.136   9.225  -4.504
   49    HB2  CYS   8           HB2      CYS   8  14.759  10.340  -2.677
   50    HB3  CYS   8           HB3      CYS   8  15.676   8.934  -2.146
   51    H    ALA   9           H        ALA   9  17.885  12.166  -3.495
   52    HA   ALA   9           HA       ALA   9  17.304  13.489  -6.088
   53    HB1  ALA   9           HB1      ALA   9  15.068  13.887  -4.985
   54    HB2  ALA   9           HB2      ALA   9  15.880  14.694  -3.619
   55    HB3  ALA   9           HB3      ALA   9  15.937  15.414  -5.237
   56    H    TRP  10           H        TRP  10  19.644  13.255  -5.755
   57    HA   TRP  10           HA       TRP  10  21.769  14.029  -5.332
   58    HB2  TRP  10           HB2      TRP  10  22.360  16.270  -5.834
   59    HB3  TRP  10           HB3      TRP  10  21.188  15.632  -6.944
   60    HD1  TRP  10           HD1      TRP  10  18.644  16.723  -6.922
   61    HE1  TRP  10           HE1      TRP  10  17.669  19.075  -6.137
   62    HE3  TRP  10           HE3      TRP  10  22.662  18.108  -4.105
   63    HZ2  TRP  10           HZ2      TRP  10  18.671  21.104  -4.443
   64    HZ3  TRP  10           HZ3      TRP  10  22.597  20.282  -2.918
   65    HH2  TRP  10           HH2      TRP  10  20.617  21.729  -3.050
   66    H    ARG  11           H        ARG  11  20.336  16.396  -3.297
   67    HA   ARG  11           HA       ARG  11  20.346  15.187  -0.877
   68    HB2  ARG  11           HB2      ARG  11  22.815  14.885  -0.811
   69    HB3  ARG  11           HB3      ARG  11  23.077  16.606  -1.008
   70    HG2  ARG  11           HG2      ARG  11  21.925  16.949   1.291
   71    HG3  ARG  11           HG3      ARG  11  21.760  15.200   1.431
   72    HD2  ARG  11           HD2      ARG  11  24.219  14.890   1.332
   73    HD3  ARG  11           HD3      ARG  11  24.500  16.588   0.972
   74   HH11  ARG  11          HH11      ARG  11  24.092  18.371   1.865
   75   HH12  ARG  11          HH12      ARG  11  24.199  19.354   3.427
   76   HH21  ARG  11          HH21      ARG  11  23.784  16.537   5.291
   77   HH22  ARG  11          HH22      ARG  11  24.037  18.357   5.271
   78    H    CYS  12           H        CYS  12  18.492  16.493  -1.240
   79    HA   CYS  12           HA       CYS  12  18.789  19.481  -1.557
   80    HB2  CYS  12           HB2      CYS  12  17.651  18.049  -3.238
   81    HB3  CYS  12           HB3      CYS  12  16.483  17.494  -2.036
   82    HN1  NH2  13           HN1      NH2  13  17.280  20.529   1.517
   83    HN2  NH2  13           HN2      NH2  13  18.471  20.852   0.147
  Start of MODEL    3
    1    H1   GLY   1           H1       GLY   1  11.319  13.093  -5.180
    2    H2   GLY   1           H2       GLY   1  12.038  13.394  -3.746
    3    HA2  GLY   1           HA2      GLY   1  11.370  15.443  -5.818
    4    HA3  GLY   1           HA3      GLY   1  10.511  15.212  -4.305
    5    H    CYS   2           H        CYS   2  11.475  15.988  -2.402
    6    HA   CYS   2           HA       CYS   2  14.321  17.076  -2.530
    7    HB2  CYS   2           HB2      CYS   2  12.789  19.053  -2.814
    8    HB3  CYS   2           HB3      CYS   2  12.040  18.685  -1.243
    9    H    CYS   3           H        CYS   3  14.342  14.780  -1.670
   10    HA   CYS   3           HA       CYS   3  14.170  14.662   1.345
   11    HB2  CYS   3           HB2      CYS   3  14.952  12.400   1.124
   12    HB3  CYS   3           HB3      CYS   3  13.802  12.615  -0.193
   13    H    SER   4           H        SER   4  15.847  15.007   2.741
   14    HA   SER   4           HA       SER   4  18.462  16.176   1.787
   15    HB2  SER   4           HB2      SER   4  18.889  16.550   4.185
   16    HB3  SER   4           HB3      SER   4  17.338  17.192   3.673
   17    HG   SER   4           HG       SER   4  17.881  15.307   5.569
   18    H    ASP   5           H        ASP   5  18.824  14.202   0.568
   19    HA   ASP   5           HA       ASP   5  20.647  12.192   1.906
   20    HB2  ASP   5           HB2      ASP   5  17.729  11.714   1.468
   21    HB3  ASP   5           HB3      ASP   5  18.597  10.684   0.365
   22    HD2  ASP   5           HD2      ASP   5  19.941   8.622   2.719
   23    H    LYS   6           H        LYS   6  21.761  10.837   0.485
   24    HA   LYS   6           HA       LYS   6  22.647  12.137  -1.974
   25    HB2  LYS   6           HB2      LYS   6  24.023  10.822  -0.305
   26    HB3  LYS   6           HB3      LYS   6  23.239   9.344  -0.824
   27    HG2  LYS   6           HG2      LYS   6  25.450   9.496  -1.779
   28    HG3  LYS   6           HG3      LYS   6  24.269   9.512  -3.068
   29    HD2  LYS   6           HD2      LYS   6  26.098  11.075  -3.537
   30    HD3  LYS   6           HD3      LYS   6  24.584  11.941  -3.425
   31    HE2  LYS   6           HE2      LYS   6  25.134  12.844  -1.186
   32    HE3  LYS   6           HE3      LYS   6  26.543  11.794  -1.017
   33    HZ1  LYS   6           HZ1      LYS   6  26.203  13.797  -3.213
   34    HZ3  LYS   6           HZ3      LYS   6  27.041  14.127  -1.840
   35    H    ARG   7           H        ARG   7  21.027   8.917  -1.765
   36    HA   ARG   7           HA       ARG   7  20.847   8.737  -4.729
   37    HB2  ARG   7           HB2      ARG   7  19.773   6.936  -2.486
   38    HB3  ARG   7           HB3      ARG   7  19.472   6.597  -4.169
   39    HG2  ARG   7           HG2      ARG   7  21.828   6.399  -4.719
   40    HG3  ARG   7           HG3      ARG   7  22.354   6.953  -3.150
   41    HD2  ARG   7           HD2      ARG   7  20.507   4.483  -3.279
   42    HD3  ARG   7           HD3      ARG   7  22.146   4.295  -3.821
   43   HH11  ARG   7          HH11      ARG   7  23.755   3.710  -3.027
   44   HH12  ARG   7          HH12      ARG   7  24.757   3.337  -1.523
   45   HH21  ARG   7          HH21      ARG   7  22.563   4.834   0.525
   46   HH22  ARG   7          HH22      ARG   7  24.177   3.959   0.302
   47    H    CYS   8           H        CYS   8  18.192   9.196  -2.343
   48    HA   CYS   8           HA       CYS   8  16.099   9.184  -4.354
   49    HB2  CYS   8           HB2      CYS   8  14.635  10.119  -2.506
   50    HB3  CYS   8           HB3      CYS   8  15.529   8.653  -2.117
   51    H    ALA   9           H        ALA   9  17.772  12.129  -3.197
   52    HA   ALA   9           HA       ALA   9  16.825  13.562  -5.674
   53    HB1  ALA   9           HB1      ALA   9  14.855  13.903  -4.143
   54    HB2  ALA   9           HB2      ALA   9  15.936  14.611  -2.909
   55    HB3  ALA   9           HB3      ALA   9  15.699  15.438  -4.458
   56    H    TRP  10           H        TRP  10  19.141  13.467  -5.971
   57    HA   TRP  10           HA       TRP  10  21.303  14.304  -5.943
   58    HB2  TRP  10           HB2      TRP  10  21.623  16.613  -6.422
   59    HB3  TRP  10           HB3      TRP  10  20.260  15.963  -7.276
   60    HD1  TRP  10           HD1      TRP  10  17.699  16.782  -6.383
   61    HE1  TRP  10           HE1      TRP  10  16.842  19.035  -5.270
   62    HE3  TRP  10           HE3      TRP  10  22.271  18.514  -4.917
   63    HZ2  TRP  10           HZ2      TRP  10  18.161  21.237  -4.094
   64    HZ3  TRP  10           HZ3      TRP  10  22.407  20.674  -3.725
   65    HH2  TRP  10           HH2      TRP  10  20.381  22.021  -3.315
   66    H    ARG  11           H        ARG  11  20.701  16.817  -3.736
   67    HA   ARG  11           HA       ARG  11  20.970  15.220  -1.366
   68    HB2  ARG  11           HB2      ARG  11  23.477  15.455  -1.963
   69    HB3  ARG  11           HB3      ARG  11  23.339  17.180  -1.678
   70    HG2  ARG  11           HG2      ARG  11  22.606  16.630   0.754
   71    HG3  ARG  11           HG3      ARG  11  22.818  14.916   0.387
   72    HD2  ARG  11           HD2      ARG  11  25.253  15.336  -0.187
   73    HD3  ARG  11           HD3      ARG  11  25.066  17.056   0.122
   74   HH11  ARG  11          HH11      ARG  11  24.413  18.211   1.718
   75   HH12  ARG  11          HH12      ARG  11  24.732  18.553   3.501
   76   HH21  ARG  11          HH21      ARG  11  25.504  15.284   4.023
   77   HH22  ARG  11          HH22      ARG  11  25.277  16.955   4.769
   78    H    CYS  12           H        CYS  12  18.869  16.369  -1.744
   79    HA   CYS  12           HA       CYS  12  18.734  19.215  -1.897
   80    HB2  CYS  12           HB2      CYS  12  17.154  17.534  -2.904
   81    HB3  CYS  12           HB3      CYS  12  16.434  17.268  -1.308
   82    HN1  NH2  13           HN1      NH2  13  18.321  20.582   1.384
   83    HN2  NH2  13           HN2      NH2  13  19.031  20.733  -0.306
  Start of MODEL    4
    1    H1   GLY   1           H1       GLY   1  11.229  12.852  -4.847
    2    H2   GLY   1           H2       GLY   1  12.065  13.234  -3.501
    3    HA2  GLY   1           HA2      GLY   1  11.154  15.174  -5.589
    4    HA3  GLY   1           HA3      GLY   1  10.442  14.997  -3.991
    5    H    CYS   2           H        CYS   2  11.413  16.096  -2.319
    6    HA   CYS   2           HA       CYS   2  14.277  17.145  -2.678
    7    HB2  CYS   2           HB2      CYS   2  12.700  19.081  -2.889
    8    HB3  CYS   2           HB3      CYS   2  12.052  18.737  -1.275
    9    H    CYS   3           H        CYS   3  14.900  15.199  -1.710
   10    HA   CYS   3           HA       CYS   3  14.388  14.890   1.293
   11    HB2  CYS   3           HB2      CYS   3  15.295  12.641   1.011
   12    HB3  CYS   3           HB3      CYS   3  14.047  12.881  -0.216
   13    H    SER   4           H        SER   4  15.950  15.341   2.766
   14    HA   SER   4           HA       SER   4  18.749  16.131   1.955
   15    HB2  SER   4           HB2      SER   4  19.138  16.528   4.326
   16    HB3  SER   4           HB3      SER   4  17.654  17.299   3.789
   17    HG   SER   4           HG       SER   4  17.762  15.888   5.870
   18    H    ASP   5           H        ASP   5  18.862  14.060   0.766
   19    HA   ASP   5           HA       ASP   5  20.671  12.108   2.117
   20    HB2  ASP   5           HB2      ASP   5  17.992  11.516   2.554
   21    HB3  ASP   5           HB3      ASP   5  18.120  10.803   0.969
   22    HD2  ASP   5           HD2      ASP   5  20.265   8.259   2.068
   23    H    LYS   6           H        LYS   6  21.790  10.829   0.628
   24    HA   LYS   6           HA       LYS   6  22.439  12.203  -1.774
   25    HB2  LYS   6           HB2      LYS   6  23.895  10.752  -0.275
   26    HB3  LYS   6           HB3      LYS   6  23.154   9.324  -0.956
   27    HG2  LYS   6           HG2      LYS   6  25.328   9.662  -1.932
   28    HG3  LYS   6           HG3      LYS   6  24.129   9.825  -3.192
   29    HD2  LYS   6           HD2      LYS   6  25.931  11.494  -3.440
   30    HD3  LYS   6           HD3      LYS   6  24.385  12.288  -3.235
   31    HE2  LYS   6           HE2      LYS   6  24.871  12.885  -0.884
   32    HE3  LYS   6           HE3      LYS   6  26.322  11.884  -0.840
   33    HZ1  LYS   6           HZ1      LYS   6  25.953  14.145  -2.769
   34    HZ3  LYS   6           HZ3      LYS   6  26.664  14.351  -1.310
   35    H    ARG   7           H        ARG   7  20.995   8.898  -1.900
   36    HA   ARG   7           HA       ARG   7  20.839   9.100  -4.878
   37    HB2  ARG   7           HB2      ARG   7  20.159   6.890  -2.874
   38    HB3  ARG   7           HB3      ARG   7  19.714   6.717  -4.554
   39    HG2  ARG   7           HG2      ARG   7  21.947   6.846  -5.373
   40    HG3  ARG   7           HG3      ARG   7  22.607   7.494  -3.896
   41    HD2  ARG   7           HD2      ARG   7  21.328   4.678  -3.875
   42    HD3  ARG   7           HD3      ARG   7  22.934   4.924  -4.570
   43   HH11  ARG   7          HH11      ARG   7  23.315   3.165  -3.382
   44   HH12  ARG   7          HH12      ARG   7  24.293   2.604  -1.923
   45   HH21  ARG   7          HH21      ARG   7  23.755   5.589  -0.377
   46   HH22  ARG   7          HH22      ARG   7  24.500   3.901  -0.284
   47    H    CYS   8           H        CYS   8  18.263   9.315  -2.470
   48    HA   CYS   8           HA       CYS   8  16.018   9.236  -4.339
   49    HB2  CYS   8           HB2      CYS   8  14.763  10.345  -2.418
   50    HB3  CYS   8           HB3      CYS   8  15.688   8.902  -1.987
   51    H    ALA   9           H        ALA   9  17.787  12.192  -3.312
   52    HA   ALA   9           HA       ALA   9  16.987  13.561  -5.866
   53    HB1  ALA   9           HB1      ALA   9  14.946  13.973  -4.447
   54    HB2  ALA   9           HB2      ALA   9  15.967  14.717  -3.189
   55    HB3  ALA   9           HB3      ALA   9  15.820  15.483  -4.784
   56    H    TRP  10           H        TRP  10  19.121  13.885  -6.334
   57    HA   TRP  10           HA       TRP  10  21.433  14.358  -5.972
   58    HB2  TRP  10           HB2      TRP  10  21.824  16.718  -6.322
   59    HB3  TRP  10           HB3      TRP  10  20.565  16.056  -7.319
   60    HD1  TRP  10           HD1      TRP  10  17.962  16.832  -6.812
   61    HE1  TRP  10           HE1      TRP  10  16.949  19.143  -5.962
   62    HE3  TRP  10           HE3      TRP  10  22.232  18.608  -4.664
   63    HZ2  TRP  10           HZ2      TRP  10  18.016  21.292  -4.483
   64    HZ3  TRP  10           HZ3      TRP  10  22.177  20.798  -3.522
   65    HH2  TRP  10           HH2      TRP  10  20.102  22.124  -3.437
   66    H    ARG  11           H        ARG  11  20.808  16.843  -3.749
   67    HA   ARG  11           HA       ARG  11  20.787  15.199  -1.428
   68    HB2  ARG  11           HB2      ARG  11  23.295  15.188  -1.630
   69    HB3  ARG  11           HB3      ARG  11  23.332  16.941  -1.569
   70    HG2  ARG  11           HG2      ARG  11  22.387  16.851   0.805
   71    HG3  ARG  11           HG3      ARG  11  22.344  15.087   0.727
   72    HD2  ARG  11           HD2      ARG  11  24.819  14.987   0.441
   73    HD3  ARG  11           HD3      ARG  11  24.944  16.724   0.249
   74   HH11  ARG  11          HH11      ARG  11  24.569  18.389   1.359
   75   HH12  ARG  11          HH12      ARG  11  24.967  19.161   2.982
   76   HH21  ARG  11          HH21      ARG  11  24.951  16.172   4.554
   77   HH22  ARG  11          HH22      ARG  11  25.161  17.993   4.660
   78    H    CYS  12           H        CYS  12  18.809  16.442  -1.965
   79    HA   CYS  12           HA       CYS  12  18.733  19.317  -2.018
   80    HB2  CYS  12           HB2      CYS  12  17.182  17.686  -3.168
   81    HB3  CYS  12           HB3      CYS  12  16.411  17.341  -1.615
   82    HN1  NH2  13           HN1      NH2  13  18.011  20.541   1.272
   83    HN2  NH2  13           HN2      NH2  13  18.298  20.923  -0.498
  Start of MODEL    5
    1    H1   GLY   1           H1       GLY   1  11.435  13.338  -4.539
    2    H2   GLY   1           H2       GLY   1   9.815  13.414  -4.376
    3    HA2  GLY   1           HA2      GLY   1  10.580  15.578  -5.083
    4    HA3  GLY   1           HA3      GLY   1   9.923  15.672  -3.455
    5    H    CYS   2           H        CYS   2  11.166  17.105  -2.349
    6    HA   CYS   2           HA       CYS   2  14.195  17.250  -2.783
    7    HB2  CYS   2           HB2      CYS   2  12.837  19.349  -2.879
    8    HB3  CYS   2           HB3      CYS   2  12.354  19.116  -1.187
    9    H    CYS   3           H        CYS   3  14.421  15.094  -1.835
   10    HA   CYS   3           HA       CYS   3  14.159  14.770   1.151
   11    HB2  CYS   3           HB2      CYS   3  15.095  12.541   0.757
   12    HB3  CYS   3           HB3      CYS   3  13.876  12.820  -0.486
   13    H    SER   4           H        SER   4  15.730  15.164   2.665
   14    HA   SER   4           HA       SER   4  18.453  16.198   1.848
   15    HB2  SER   4           HB2      SER   4  18.801  16.671   4.209
   16    HB3  SER   4           HB3      SER   4  17.276  17.324   3.631
   17    HG   SER   4           HG       SER   4  16.882  16.335   5.597
   18    H    ASP   5           H        ASP   5  18.634  14.064   0.691
   19    HA   ASP   5           HA       ASP   5  20.666  12.366   2.062
   20    HB2  ASP   5           HB2      ASP   5  18.108  11.511   2.611
   21    HB3  ASP   5           HB3      ASP   5  18.235  10.764   1.036
   22    HD2  ASP   5           HD2      ASP   5  19.280   8.598   3.826
   23    H    LYS   6           H        LYS   6  21.384  10.563   0.641
   24    HA   LYS   6           HA       LYS   6  22.598  11.914  -1.576
   25    HB2  LYS   6           HB2      LYS   6  23.572  10.293   0.140
   26    HB3  LYS   6           HB3      LYS   6  22.750   8.970  -0.646
   27    HG2  LYS   6           HG2      LYS   6  25.078   8.951  -1.263
   28    HG3  LYS   6           HG3      LYS   6  24.127   9.265  -2.696
   29    HD2  LYS   6           HD2      LYS   6  26.101  10.695  -2.704
   30    HD3  LYS   6           HD3      LYS   6  24.682  11.707  -2.598
   31    HE2  LYS   6           HE2      LYS   6  25.048  12.058  -0.127
   32    HE3  LYS   6           HE3      LYS   6  26.401  10.924  -0.128
   33    HZ1  LYS   6           HZ1      LYS   6  26.288  13.396  -1.807
   34    HZ3  LYS   6           HZ3      LYS   6  27.010  13.339  -0.336
   35    H    ARG   7           H        ARG   7  20.911   8.772  -1.975
   36    HA   ARG   7           HA       ARG   7  20.988   9.113  -4.961
   37    HB2  ARG   7           HB2      ARG   7  20.093   6.808  -3.155
   38    HB3  ARG   7           HB3      ARG   7  19.910   6.749  -4.883
   39    HG2  ARG   7           HG2      ARG   7  22.298   6.954  -5.328
   40    HG3  ARG   7           HG3      ARG   7  22.690   7.331  -3.663
   41    HD2  ARG   7           HD2      ARG   7  21.335   4.669  -4.457
   42    HD3  ARG   7           HD3      ARG   7  23.081   4.872  -4.517
   43   HH11  ARG   7          HH11      ARG   7  21.731   2.810  -3.570
   44   HH12  ARG   7          HH12      ARG   7  21.681   1.909  -1.965
   45   HH21  ARG   7          HH21      ARG   7  22.583   4.694  -0.267
   46   HH22  ARG   7          HH22      ARG   7  22.213   2.882  -0.240
   47    H    CYS   8           H        CYS   8  18.294   9.228  -2.658
   48    HA   CYS   8           HA       CYS   8  16.105   9.254  -4.570
   49    HB2  CYS   8           HB2      CYS   8  14.841  10.404  -2.711
   50    HB3  CYS   8           HB3      CYS   8  15.713   8.965  -2.200
   51    H    ALA   9           H        ALA   9  17.864  12.155  -3.401
   52    HA   ALA   9           HA       ALA   9  17.310  13.569  -6.003
   53    HB1  ALA   9           HB1      ALA   9  15.193  14.018  -4.732
   54    HB2  ALA   9           HB2      ALA   9  16.130  14.720  -3.385
   55    HB3  ALA   9           HB3      ALA   9  16.133  15.514  -4.970
   56    H    TRP  10           H        TRP  10  19.618  13.273  -5.966
   57    HA   TRP  10           HA       TRP  10  21.833  14.006  -5.691
   58    HB2  TRP  10           HB2      TRP  10  22.229  16.432  -6.158
   59    HB3  TRP  10           HB3      TRP  10  21.315  15.509  -7.306
   60    HD1  TRP  10           HD1      TRP  10  18.666  16.039  -7.647
   61    HE1  TRP  10           HE1      TRP  10  17.126  18.151  -7.161
   62    HE3  TRP  10           HE3      TRP  10  21.957  18.478  -4.603
   63    HZ2  TRP  10           HZ2      TRP  10  17.427  20.407  -5.493
   64    HZ3  TRP  10           HZ3      TRP  10  21.264  20.622  -3.568
   65    HH2  TRP  10           HH2      TRP  10  19.020  21.550  -3.986
   66    H    ARG  11           H        ARG  11  20.868  16.633  -3.719
   67    HA   ARG  11           HA       ARG  11  20.940  15.202  -1.306
   68    HB2  ARG  11           HB2      ARG  11  23.514  15.403  -1.637
   69    HB3  ARG  11           HB3      ARG  11  23.381  17.102  -1.273
   70    HG2  ARG  11           HG2      ARG  11  22.521  16.550   1.035
   71    HG3  ARG  11           HG3      ARG  11  22.371  14.843   0.612
   72    HD2  ARG  11           HD2      ARG  11  24.854  14.679   0.224
   73    HD3  ARG  11           HD3      ARG  11  25.070  16.381   0.595
   74   HH11  ARG  11          HH11      ARG  11  24.724  17.599   2.194
   75   HH12  ARG  11          HH12      ARG  11  25.041  17.777   4.001
   76   HH21  ARG  11          HH21      ARG  11  24.601  14.452   4.474
   77   HH22  ARG  11          HH22      ARG  11  24.921  16.107   5.231
   78    H    CYS  12           H        CYS  12  18.928  16.334  -1.829
   79    HA   CYS  12           HA       CYS  12  18.836  19.220  -2.025
   80    HB2  CYS  12           HB2      CYS  12  17.492  17.578  -3.335
   81    HB3  CYS  12           HB3      CYS  12  16.523  17.210  -1.896
   82    HN1  NH2  13           HN1      NH2  13  18.170  20.412   1.264
   83    HN2  NH2  13           HN2      NH2  13  19.367  20.347  -0.137
  Start of MODEL    6
    1    H1   GLY   1           H1       GLY   1   9.933  14.648  -2.578
    2    H2   GLY   1           H2       GLY   1  10.127  13.836  -3.981
    3    HA2  GLY   1           HA2      GLY   1  10.545  15.749  -5.269
    4    HA3  GLY   1           HA3      GLY   1   9.817  16.790  -4.067
    5    H    CYS   2           H        CYS   2  11.122  17.669  -2.579
    6    HA   CYS   2           HA       CYS   2  14.096  17.356  -2.857
    7    HB2  CYS   2           HB2      CYS   2  12.954  19.569  -2.847
    8    HB3  CYS   2           HB3      CYS   2  12.380  19.292  -1.192
    9    H    CYS   3           H        CYS   3  14.406  15.279  -1.984
   10    HA   CYS   3           HA       CYS   3  14.170  14.858   1.028
   11    HB2  CYS   3           HB2      CYS   3  14.885  12.578   0.530
   12    HB3  CYS   3           HB3      CYS   3  13.630  12.986  -0.648
   13    H    SER   4           H        SER   4  15.820  15.464   2.358
   14    HA   SER   4           HA       SER   4  18.552  16.169   1.373
   15    HB2  SER   4           HB2      SER   4  18.996  16.828   3.648
   16    HB3  SER   4           HB3      SER   4  17.425  17.433   3.163
   17    HG   SER   4           HG       SER   4  16.464  15.634   4.300
   18    H    ASP   5           H        ASP   5  18.742  13.952   0.361
   19    HA   ASP   5           HA       ASP   5  20.795  12.449   1.916
   20    HB2  ASP   5           HB2      ASP   5  18.194  11.493   2.326
   21    HB3  ASP   5           HB3      ASP   5  18.593  10.560   0.906
   22    HD2  ASP   5           HD2      ASP   5  19.460   8.963   4.142
   23    H    LYS   6           H        LYS   6  22.043  11.022   0.722
   24    HA   LYS   6           HA       LYS   6  22.971  11.981  -1.734
   25    HB2  LYS   6           HB2      LYS   6  24.157  10.594   0.001
   26    HB3  LYS   6           HB3      LYS   6  23.255   9.181  -0.496
   27    HG2  LYS   6           HG2      LYS   6  25.380   8.876  -1.421
   28    HG3  LYS   6           HG3      LYS   6  24.366   9.287  -2.775
   29    HD2  LYS   6           HD2      LYS   6  26.377  10.506  -3.138
   30    HD3  LYS   6           HD3      LYS   6  25.251  11.744  -2.595
   31    HE2  LYS   6           HE2      LYS   6  26.240  11.611  -0.245
   32    HE3  LYS   6           HE3      LYS   6  27.305  10.298  -0.768
   33    HZ1  LYS   6           HZ1      LYS   6  28.192  11.905  -2.484
   34    HZ3  LYS   6           HZ3      LYS   6  27.310  13.100  -1.839
   35    H    ARG   7           H        ARG   7  21.147   8.883  -1.660
   36    HA   ARG   7           HA       ARG   7  21.232   8.678  -4.650
   37    HB2  ARG   7           HB2      ARG   7  19.912   6.926  -2.505
   38    HB3  ARG   7           HB3      ARG   7  19.843   6.549  -4.209
   39    HG2  ARG   7           HG2      ARG   7  22.254   6.306  -4.423
   40    HG3  ARG   7           HG3      ARG   7  22.575   6.941  -2.825
   41    HD2  ARG   7           HD2      ARG   7  21.042   4.301  -3.351
   42    HD3  ARG   7           HD3      ARG   7  22.766   4.431  -3.054
   43   HH11  ARG   7          HH11      ARG   7  22.472   2.703  -1.823
   44   HH12  ARG   7          HH12      ARG   7  22.632   2.245  -0.044
   45   HH21  ARG   7          HH21      ARG   7  21.251   5.134   0.969
   46   HH22  ARG   7          HH22      ARG   7  22.001   3.507   1.401
   47    H    CYS   8           H        CYS   8  18.522   9.319  -2.414
   48    HA   CYS   8           HA       CYS   8  16.411   9.155  -4.377
   49    HB2  CYS   8           HB2      CYS   8  15.024  10.198  -2.619
   50    HB3  CYS   8           HB3      CYS   8  16.070   8.947  -1.945
   51    H    ALA   9           H        ALA   9  17.992  12.215  -3.390
   52    HA   ALA   9           HA       ALA   9  17.278  13.474  -6.030
   53    HB1  ALA   9           HB1      ALA   9  15.136  13.811  -4.660
   54    HB2  ALA   9           HB2      ALA   9  16.083  14.722  -3.458
   55    HB3  ALA   9           HB3      ALA   9  15.921  15.341  -5.106
   56    H    TRP  10           H        TRP  10  19.581  13.446  -6.080
   57    HA   TRP  10           HA       TRP  10  21.757  14.136  -5.704
   58    HB2  TRP  10           HB2      TRP  10  22.306  16.445  -6.053
   59    HB3  TRP  10           HB3      TRP  10  21.113  15.846  -7.166
   60    HD1  TRP  10           HD1      TRP  10  18.521  16.807  -6.931
   61    HE1  TRP  10           HE1      TRP  10  17.484  19.042  -5.961
   62    HE3  TRP  10           HE3      TRP  10  22.631  18.276  -4.284
   63    HZ2  TRP  10           HZ2      TRP  10  18.481  21.069  -4.282
   64    HZ3  TRP  10           HZ3      TRP  10  22.503  20.362  -2.953
   65    HH2  TRP  10           HH2      TRP  10  20.457  21.727  -2.944
   66    H    ARG  11           H        ARG  11  20.812  16.588  -3.537
   67    HA   ARG  11           HA       ARG  11  20.833  15.019  -1.161
   68    HB2  ARG  11           HB2      ARG  11  23.345  15.039  -1.417
   69    HB3  ARG  11           HB3      ARG  11  23.346  16.791  -1.388
   70    HG2  ARG  11           HG2      ARG  11  22.433  16.715   1.001
   71    HG3  ARG  11           HG3      ARG  11  22.471  14.955   0.959
   72    HD2  ARG  11           HD2      ARG  11  24.975  14.985   0.583
   73    HD3  ARG  11           HD3      ARG  11  24.975  16.719   0.393
   74   HH11  ARG  11          HH11      ARG  11  24.113  18.343   1.538
   75   HH12  ARG  11          HH12      ARG  11  24.451  19.160   3.159
   76   HH21  ARG  11          HH21      ARG  11  25.044  16.271   4.742
   77   HH22  ARG  11          HH22      ARG  11  24.890  18.103   4.784
   78    H    CYS  12           H        CYS  12  18.839  16.251  -1.730
   79    HA   CYS  12           HA       CYS  12  18.846  19.177  -1.677
   80    HB2  CYS  12           HB2      CYS  12  17.605  17.682  -3.264
   81    HB3  CYS  12           HB3      CYS  12  16.516  17.186  -1.957
   82    HN1  NH2  13           HN1      NH2  13  17.988  19.908   1.731
   83    HN2  NH2  13           HN2      NH2  13  19.394  19.791   0.554
  Start of MODEL    7
    1    H1   GLY   1           H1       GLY   1   9.123  15.676  -3.646
    2    H2   GLY   1           H2       GLY   1   8.885  16.123  -5.199
    3    HA2  GLY   1           HA2      GLY   1  10.738  14.573  -5.042
    4    HA3  GLY   1           HA3      GLY   1  11.224  16.102  -5.730
    5    H    CYS   2           H        CYS   2  11.471  17.587  -3.336
    6    HA   CYS   2           HA       CYS   2  14.287  17.034  -2.837
    7    HB2  CYS   2           HB2      CYS   2  13.140  19.293  -2.850
    8    HB3  CYS   2           HB3      CYS   2  12.413  18.915  -1.280
    9    H    CYS   3           H        CYS   3  14.957  15.315  -1.751
   10    HA   CYS   3           HA       CYS   3  13.931  14.691   1.084
   11    HB2  CYS   3           HB2      CYS   3  14.781  12.407   0.688
   12    HB3  CYS   3           HB3      CYS   3  13.724  12.827  -0.668
   13    H    SER   4           H        SER   4  15.510  14.343   2.705
   14    HA   SER   4           HA       SER   4  18.033  16.018   2.378
   15    HB2  SER   4           HB2      SER   4  18.122  15.919   4.857
   16    HB3  SER   4           HB3      SER   4  16.627  16.592   4.236
   17    HG   SER   4           HG       SER   4  16.888  13.811   4.947
   18    H    ASP   5           H        ASP   5  18.283  13.699   0.939
   19    HA   ASP   5           HA       ASP   5  20.805  12.538   2.135
   20    HB2  ASP   5           HB2      ASP   5  18.763  11.130   2.929
   21    HB3  ASP   5           HB3      ASP   5  18.522  10.650   1.257
   22    HD2  ASP   5           HD2      ASP   5  20.234   7.971   2.676
   23    H    LYS   6           H        LYS   6  21.901  11.056   0.585
   24    HA   LYS   6           HA       LYS   6  22.438  12.657  -1.830
   25    HB2  LYS   6           HB2      LYS   6  24.141  11.574  -0.287
   26    HB3  LYS   6           HB3      LYS   6  23.610   9.990  -0.809
   27    HG2  LYS   6           HG2      LYS   6  25.678  10.483  -1.902
   28    HG3  LYS   6           HG3      LYS   6  24.442  10.457  -3.135
   29    HD2  LYS   6           HD2      LYS   6  24.343  13.073  -2.922
   30    HD3  LYS   6           HD3      LYS   6  25.673  12.969  -1.790
   31    HE2  LYS   6           HE2      LYS   6  27.087  11.879  -3.667
   32    HE3  LYS   6           HE3      LYS   6  25.730  12.129  -4.772
   33    HZ1  LYS   6           HZ1      LYS   6  25.825  14.536  -4.176
   34    HZ3  LYS   6           HZ3      LYS   6  27.135  14.275  -3.259
   35    H    ARG   7           H        ARG   7  21.188   9.285  -1.612
   36    HA   ARG   7           HA       ARG   7  21.219   8.976  -4.585
   37    HB2  ARG   7           HB2      ARG   7  20.063   7.166  -2.407
   38    HB3  ARG   7           HB3      ARG   7  20.098   6.735  -4.103
   39    HG2  ARG   7           HG2      ARG   7  22.530   6.651  -4.217
   40    HG3  ARG   7           HG3      ARG   7  22.701   7.511  -2.704
   41    HD2  ARG   7           HD2      ARG   7  21.351   5.403  -1.655
   42    HD3  ARG   7           HD3      ARG   7  21.820   4.588  -3.136
   43   HH11  ARG   7          HH11      ARG   7  22.006   4.643  -0.031
   44   HH12  ARG   7          HH12      ARG   7  23.416   4.331   1.122
   45   HH21  ARG   7          HH21      ARG   7  25.707   4.977  -1.236
   46   HH22  ARG   7          HH22      ARG   7  25.329   4.498   0.500
   47    H    CYS   8           H        CYS   8  18.410   9.237  -2.340
   48    HA   CYS   8           HA       CYS   8  16.326   9.065  -4.292
   49    HB2  CYS   8           HB2      CYS   8  14.932  10.245  -2.515
   50    HB3  CYS   8           HB3      CYS   8  15.896   8.893  -1.931
   51    H    ALA   9           H        ALA   9  17.580  12.230  -3.200
   52    HA   ALA   9           HA       ALA   9  17.014  13.401  -5.968
   53    HB1  ALA   9           HB1      ALA   9  14.943  13.871  -4.682
   54    HB2  ALA   9           HB2      ALA   9  15.887  14.674  -3.399
   55    HB3  ALA   9           HB3      ALA   9  15.827  15.369  -5.033
   56    H    TRP  10           H        TRP  10  19.240  13.334  -6.190
   57    HA   TRP  10           HA       TRP  10  21.404  14.178  -6.187
   58    HB2  TRP  10           HB2      TRP  10  21.684  16.589  -6.515
   59    HB3  TRP  10           HB3      TRP  10  20.489  15.811  -7.500
   60    HD1  TRP  10           HD1      TRP  10  17.866  16.435  -7.152
   61    HE1  TRP  10           HE1      TRP  10  16.630  18.610  -6.302
   62    HE3  TRP  10           HE3      TRP  10  21.890  18.495  -4.757
   63    HZ2  TRP  10           HZ2      TRP  10  17.502  20.900  -4.858
   64    HZ3  TRP  10           HZ3      TRP  10  21.623  20.707  -3.676
   65    HH2  TRP  10           HH2      TRP  10  19.470  21.892  -3.733
   66    H    ARG  11           H        ARG  11  20.554  16.455  -3.765
   67    HA   ARG  11           HA       ARG  11  21.227  15.004  -1.512
   68    HB2  ARG  11           HB2      ARG  11  23.688  15.145  -2.210
   69    HB3  ARG  11           HB3      ARG  11  23.616  16.879  -2.058
   70    HG2  ARG  11           HG2      ARG  11  23.111  16.612   0.435
   71    HG3  ARG  11           HG3      ARG  11  23.192  14.864   0.263
   72    HD2  ARG  11           HD2      ARG  11  25.577  14.937  -0.384
   73    HD3  ARG  11           HD3      ARG  11  25.565  16.676  -0.592
   74   HH11  ARG  11          HH11      ARG  11  24.957  18.289   0.622
   75   HH12  ARG  11          HH12      ARG  11  25.330  19.131   2.228
   76   HH21  ARG  11          HH21      ARG  11  26.143  16.233   3.740
   77   HH22  ARG  11          HH22      ARG  11  25.898  18.058   3.820
   78    H    CYS  12           H        CYS  12  19.138  16.145  -1.597
   79    HA   CYS  12           HA       CYS  12  19.115  19.061  -1.904
   80    HB2  CYS  12           HB2      CYS  12  17.642  17.425  -3.098
   81    HB3  CYS  12           HB3      CYS  12  16.792  17.048  -1.589
   82    HN1  NH2  13           HN1      NH2  13  17.726  20.435   1.140
   83    HN2  NH2  13           HN2      NH2  13  17.917  20.672  -0.667
  Start of MODEL    8
    1    H1   GLY   1           H1       GLY   1  10.114  14.585  -3.788
    2    H2   GLY   1           H2       GLY   1  11.180  13.872  -4.797
    3    HA2  GLY   1           HA2      GLY   1  11.307  15.989  -6.145
    4    HA3  GLY   1           HA3      GLY   1  10.312  16.742  -4.915
    5    H    CYS   2           H        CYS   2  11.223  16.819  -2.736
    6    HA   CYS   2           HA       CYS   2  14.288  17.080  -2.709
    7    HB2  CYS   2           HB2      CYS   2  12.869  19.172  -2.617
    8    HB3  CYS   2           HB3      CYS   2  12.140  18.605  -1.098
    9    H    CYS   3           H        CYS   3  15.328  15.631  -1.503
   10    HA   CYS   3           HA       CYS   3  14.188  14.767   1.195
   11    HB2  CYS   3           HB2      CYS   3  14.977  12.494   0.893
   12    HB3  CYS   3           HB3      CYS   3  13.986  12.879  -0.516
   13    H    SER   4           H        SER   4  15.638  14.632   2.893
   14    HA   SER   4           HA       SER   4  18.309  15.975   2.608
   15    HB2  SER   4           HB2      SER   4  18.409  15.788   5.058
   16    HB3  SER   4           HB3      SER   4  16.876  16.453   4.525
   17    HG   SER   4           HG       SER   4  17.230  13.662   5.145
   18    H    ASP   5           H        ASP   5  18.521  13.844   1.000
   19    HA   ASP   5           HA       ASP   5  20.886  12.384   2.075
   20    HB2  ASP   5           HB2      ASP   5  18.617  11.147   2.842
   21    HB3  ASP   5           HB3      ASP   5  18.567  10.544   1.202
   22    HD2  ASP   5           HD2      ASP   5  20.253   8.326   3.641
   23    H    LYS   6           H        LYS   6  22.089  11.279   0.576
   24    HA   LYS   6           HA       LYS   6  22.433  12.684  -1.881
   25    HB2  LYS   6           HB2      LYS   6  24.113  11.456  -0.344
   26    HB3  LYS   6           HB3      LYS   6  23.570   9.942  -1.030
   27    HG2  LYS   6           HG2      LYS   6  25.643  10.503  -2.050
   28    HG3  LYS   6           HG3      LYS   6  24.429  10.691  -3.306
   29    HD2  LYS   6           HD2      LYS   6  24.431  13.191  -2.974
   30    HD3  LYS   6           HD3      LYS   6  25.532  13.044  -1.601
   31    HE2  LYS   6           HE2      LYS   6  27.297  12.044  -3.161
   32    HE3  LYS   6           HE3      LYS   6  26.179  12.265  -4.525
   33    HZ1  LYS   6           HZ1      LYS   6  27.581  14.168  -4.412
   34    HZ3  LYS   6           HZ3      LYS   6  26.107  14.673  -3.945
   35    H    ARG   7           H        ARG   7  20.894   9.458  -1.667
   36    HA   ARG   7           HA       ARG   7  21.060   9.178  -4.700
   37    HB2  ARG   7           HB2      ARG   7  20.185   7.107  -2.637
   38    HB3  ARG   7           HB3      ARG   7  20.276   6.860  -4.365
   39    HG2  ARG   7           HG2      ARG   7  22.818   7.488  -4.230
   40    HG3  ARG   7           HG3      ARG   7  22.633   7.459  -2.478
   41    HD2  ARG   7           HD2      ARG   7  21.662   4.992  -2.826
   42    HD3  ARG   7           HD3      ARG   7  22.276   5.127  -4.462
   43   HH11  ARG   7          HH11      ARG   7  22.378   4.984  -0.966
   44   HH12  ARG   7          HH12      ARG   7  23.725   4.382   0.137
   45   HH21  ARG   7          HH21      ARG   7  26.007   4.590  -2.349
   46   HH22  ARG   7          HH22      ARG   7  25.620   4.195  -0.593
   47    H    CYS   8           H        CYS   8  18.439   9.257  -2.251
   48    HA   CYS   8           HA       CYS   8  16.183   9.051  -4.090
   49    HB2  CYS   8           HB2      CYS   8  14.886  10.130  -2.176
   50    HB3  CYS   8           HB3      CYS   8  15.873   8.754  -1.711
   51    H    ALA   9           H        ALA   9  17.864  12.078  -3.237
   52    HA   ALA   9           HA       ALA   9  16.865  13.338  -5.766
   53    HB1  ALA   9           HB1      ALA   9  14.901  13.814  -4.278
   54    HB2  ALA   9           HB2      ALA   9  15.972  14.577  -3.080
   55    HB3  ALA   9           HB3      ALA   9  15.763  15.309  -4.685
   56    H    TRP  10           H        TRP  10  18.920  13.720  -6.384
   57    HA   TRP  10           HA       TRP  10  21.242  14.249  -6.236
   58    HB2  TRP  10           HB2      TRP  10  21.519  16.577  -6.729
   59    HB3  TRP  10           HB3      TRP  10  20.126  15.898  -7.517
   60    HD1  TRP  10           HD1      TRP  10  17.606  16.661  -6.553
   61    HE1  TRP  10           HE1      TRP  10  16.728  18.876  -5.376
   62    HE3  TRP  10           HE3      TRP  10  22.183  18.465  -5.178
   63    HZ2  TRP  10           HZ2      TRP  10  18.018  21.025  -4.113
   64    HZ3  TRP  10           HZ3      TRP  10  22.291  20.590  -3.921
   65    HH2  TRP  10           HH2      TRP  10  20.241  21.848  -3.374
   66    H    ARG  11           H        ARG  11  20.629  16.693  -3.936
   67    HA   ARG  11           HA       ARG  11  20.776  15.072  -1.699
   68    HB2  ARG  11           HB2      ARG  11  23.305  15.003  -1.957
   69    HB3  ARG  11           HB3      ARG  11  23.371  16.743  -1.766
   70    HG2  ARG  11           HG2      ARG  11  22.327  16.468   0.578
   71    HG3  ARG  11           HG3      ARG  11  22.338  14.720   0.361
   72    HD2  ARG  11           HD2      ARG  11  24.797  14.675   0.148
   73    HD3  ARG  11           HD3      ARG  11  24.918  16.426   0.082
   74   HH11  ARG  11          HH11      ARG  11  24.036  17.967   1.278
   75   HH12  ARG  11          HH12      ARG  11  24.134  18.694   2.977
   76   HH21  ARG  11          HH21      ARG  11  24.636  15.654   4.344
   77   HH22  ARG  11          HH22      ARG  11  24.417  17.474   4.584
   78    H    CYS  12           H        CYS  12  18.844  16.283  -1.736
   79    HA   CYS  12           HA       CYS  12  18.828  19.201  -1.868
   80    HB2  CYS  12           HB2      CYS  12  17.197  17.581  -2.934
   81    HB3  CYS  12           HB3      CYS  12  16.539  17.222  -1.327
   82    HN1  NH2  13           HN1      NH2  13  17.752  20.420   1.366
   83    HN2  NH2  13           HN2      NH2  13  17.865  20.769  -0.435
  Start of MODEL    9
    1    H1   GLY   1           H1       GLY   1  10.915  14.042  -3.850
    2    H2   GLY   1           H2       GLY   1  11.827  13.888  -5.192
    3    HA2  GLY   1           HA2      GLY   1  11.110  16.085  -6.031
    4    HA3  GLY   1           HA3      GLY   1  10.116  16.276  -4.603
    5    H    CYS   2           H        CYS   2  11.205  16.476  -2.566
    6    HA   CYS   2           HA       CYS   2  14.216  17.108  -2.655
    7    HB2  CYS   2           HB2      CYS   2  12.886  19.214  -2.453
    8    HB3  CYS   2           HB3      CYS   2  12.103  18.593  -0.991
    9    H    CYS   3           H        CYS   3  15.390  15.949  -1.347
   10    HA   CYS   3           HA       CYS   3  14.372  14.940   1.325
   11    HB2  CYS   3           HB2      CYS   3  15.121  12.648   0.898
   12    HB3  CYS   3           HB3      CYS   3  13.998  13.065  -0.403
   13    H    SER   4           H        SER   4  15.943  15.177   2.874
   14    HA   SER   4           HA       SER   4  18.693  16.118   2.124
   15    HB2  SER   4           HB2      SER   4  19.024  16.607   4.411
   16    HB3  SER   4           HB3      SER   4  17.388  17.087   4.015
   17    HG   SER   4           HG       SER   4  16.873  14.785   4.899
   18    H    ASP   5           H        ASP   5  18.872  14.022   0.858
   19    HA   ASP   5           HA       ASP   5  20.886  12.219   2.166
   20    HB2  ASP   5           HB2      ASP   5  18.398  11.419   2.736
   21    HB3  ASP   5           HB3      ASP   5  18.315  10.882   1.073
   22    HD2  ASP   5           HD2      ASP   5  19.259   8.282   3.472
   23    H    LYS   6           H        LYS   6  22.083  11.006   0.694
   24    HA   LYS   6           HA       LYS   6  22.579  12.390  -1.772
   25    HB2  LYS   6           HB2      LYS   6  24.183  11.196  -0.121
   26    HB3  LYS   6           HB3      LYS   6  23.707   9.677  -0.836
   27    HG2  LYS   6           HG2      LYS   6  25.820  10.264  -1.768
   28    HG3  LYS   6           HG3      LYS   6  24.679  10.507  -3.074
   29    HD2  LYS   6           HD2      LYS   6  24.643  13.034  -2.457
   30    HD3  LYS   6           HD3      LYS   6  25.868  12.698  -1.230
   31    HE2  LYS   6           HE2      LYS   6  27.435  11.841  -3.047
   32    HE3  LYS   6           HE3      LYS   6  26.193  12.198  -4.265
   33    HZ1  LYS   6           HZ1      LYS   6  27.721  14.054  -4.064
   34    HZ3  LYS   6           HZ3      LYS   6  26.233  14.510  -3.597
   35    H    ARG   7           H        ARG   7  20.588   9.522  -1.610
   36    HA   ARG   7           HA       ARG   7  20.982   9.006  -4.630
   37    HB2  ARG   7           HB2      ARG   7  20.089   7.122  -2.377
   38    HB3  ARG   7           HB3      ARG   7  19.900   6.737  -4.070
   39    HG2  ARG   7           HG2      ARG   7  22.356   6.941  -4.477
   40    HG3  ARG   7           HG3      ARG   7  22.632   7.356  -2.781
   41    HD2  ARG   7           HD2      ARG   7  21.578   5.098  -2.112
   42    HD3  ARG   7           HD3      ARG   7  21.389   4.718  -3.811
   43   HH11  ARG   7          HH11      ARG   7  23.037   5.318  -0.815
   44   HH12  ARG   7          HH12      ARG   7  24.698   4.781  -0.238
   45   HH21  ARG   7          HH21      ARG   7  25.578   3.876  -3.380
   46   HH22  ARG   7          HH22      ARG   7  26.038   4.010  -1.603
   47    H    CYS   8           H        CYS   8  18.317   9.354  -2.277
   48    HA   CYS   8           HA       CYS   8  16.115   9.090  -4.119
   49    HB2  CYS   8           HB2      CYS   8  14.847  10.377  -2.326
   50    HB3  CYS   8           HB3      CYS   8  15.760   8.972  -1.781
   51    H    ALA   9           H        ALA   9  17.513  12.273  -3.228
   52    HA   ALA   9           HA       ALA   9  16.779  13.366  -5.964
   53    HB1  ALA   9           HB1      ALA   9  14.680  13.733  -4.606
   54    HB2  ALA   9           HB2      ALA   9  15.610  14.633  -3.392
   55    HB3  ALA   9           HB3      ALA   9  15.450  15.270  -5.043
   56    H    TRP  10           H        TRP  10  19.071  13.386  -6.093
   57    HA   TRP  10           HA       TRP  10  21.132  14.381  -6.165
   58    HB2  TRP  10           HB2      TRP  10  21.441  16.699  -6.514
   59    HB3  TRP  10           HB3      TRP  10  20.082  16.088  -7.400
   60    HD1  TRP  10           HD1      TRP  10  17.521  16.887  -6.507
   61    HE1  TRP  10           HE1      TRP  10  16.669  19.079  -5.288
   62    HE3  TRP  10           HE3      TRP  10  22.108  18.534  -4.971
   63    HZ2  TRP  10           HZ2      TRP  10  18.011  21.260  -4.054
   64    HZ3  TRP  10           HZ3      TRP  10  22.265  20.693  -3.793
   65    HH2  TRP  10           HH2      TRP  10  20.255  22.046  -3.349
   66    H    ARG  11           H        ARG  11  20.566  16.753  -3.805
   67    HA   ARG  11           HA       ARG  11  20.792  15.106  -1.497
   68    HB2  ARG  11           HB2      ARG  11  23.267  15.028  -2.023
   69    HB3  ARG  11           HB3      ARG  11  23.369  16.774  -1.870
   70    HG2  ARG  11           HG2      ARG  11  22.712  16.567   0.580
   71    HG3  ARG  11           HG3      ARG  11  22.537  14.817   0.394
   72    HD2  ARG  11           HD2      ARG  11  24.982  14.630  -0.254
   73    HD3  ARG  11           HD3      ARG  11  25.184  16.364  -0.154
   74   HH11  ARG  11          HH11      ARG  11  25.082  17.805   1.268
   75   HH12  ARG  11          HH12      ARG  11  25.557  18.236   2.995
   76   HH21  ARG  11          HH21      ARG  11  25.236  15.021   4.013
   77   HH22  ARG  11          HH22      ARG  11  25.562  16.786   4.447
   78    H    CYS  12           H        CYS  12  18.837  16.330  -1.461
   79    HA   CYS  12           HA       CYS  12  18.888  19.305  -1.546
   80    HB2  CYS  12           HB2      CYS  12  17.325  17.868  -2.846
   81    HB3  CYS  12           HB3      CYS  12  16.616  17.254  -1.352
   82    HN1  NH2  13           HN1      NH2  13  18.641  20.067   1.947
   83    HN2  NH2  13           HN2      NH2  13  19.523  20.327   0.359
  Start of MODEL   10
    1    H1   GLY   1           H1       GLY   1   9.927  14.318  -3.212
    2    H2   GLY   1           H2       GLY   1  10.785  13.710  -4.445
    3    HA2  GLY   1           HA2      GLY   1  10.932  15.931  -5.517
    4    HA3  GLY   1           HA3      GLY   1  10.047  16.585  -4.150
    5    H    CYS   2           H        CYS   2  11.381  17.569  -2.809
    6    HA   CYS   2           HA       CYS   2  14.337  17.151  -2.846
    7    HB2  CYS   2           HB2      CYS   2  13.234  19.372  -2.997
    8    HB3  CYS   2           HB3      CYS   2  12.525  19.157  -1.379
    9    H    CYS   3           H        CYS   3  14.411  15.028  -1.854
   10    HA   CYS   3           HA       CYS   3  14.098  14.790   1.136
   11    HB2  CYS   3           HB2      CYS   3  14.951  12.508   0.736
   12    HB3  CYS   3           HB3      CYS   3  13.738  12.862  -0.495
   13    H    SER   4           H        SER   4  15.701  15.258   2.665
   14    HA   SER   4           HA       SER   4  18.404  16.190   1.798
   15    HB2  SER   4           HB2      SER   4  18.765  16.797   4.088
   16    HB3  SER   4           HB3      SER   4  17.141  17.275   3.620
   17    HG   SER   4           HG       SER   4  16.652  16.237   5.409
   18    H    ASP   5           H        ASP   5  18.457  13.883   0.762
   19    HA   ASP   5           HA       ASP   5  20.726  12.429   2.128
   20    HB2  ASP   5           HB2      ASP   5  18.421  11.401   2.886
   21    HB3  ASP   5           HB3      ASP   5  18.190  10.874   1.228
   22    HD2  ASP   5           HD2      ASP   5  19.436   7.958   2.506
   23    H    LYS   6           H        LYS   6  21.739  10.819   0.671
   24    HA   LYS   6           HA       LYS   6  22.453  12.323  -1.686
   25    HB2  LYS   6           HB2      LYS   6  23.954  10.967  -0.126
   26    HB3  LYS   6           HB3      LYS   6  23.376   9.500  -0.885
   27    HG2  LYS   6           HG2      LYS   6  25.538  10.055  -1.809
   28    HG3  LYS   6           HG3      LYS   6  24.368  10.271  -3.100
   29    HD2  LYS   6           HD2      LYS   6  24.387  12.767  -2.745
   30    HD3  LYS   6           HD3      LYS   6  25.413  12.591  -1.331
   31    HE2  LYS   6           HE2      LYS   6  27.264  11.614  -2.826
   32    HE3  LYS   6           HE3      LYS   6  26.204  11.815  -4.230
   33    HZ1  LYS   6           HZ1      LYS   6  27.606  13.750  -4.028
   34    HZ3  LYS   6           HZ3      LYS   6  26.078  14.216  -3.718
   35    H    ARG   7           H        ARG   7  21.098   8.952  -1.866
   36    HA   ARG   7           HA       ARG   7  21.119   9.213  -4.884
   37    HB2  ARG   7           HB2      ARG   7  20.401   6.826  -3.095
   38    HB3  ARG   7           HB3      ARG   7  20.201   6.823  -4.840
   39    HG2  ARG   7           HG2      ARG   7  22.686   7.451  -5.107
   40    HG3  ARG   7           HG3      ARG   7  22.871   7.258  -3.371
   41    HD2  ARG   7           HD2      ARG   7  22.039   4.814  -3.609
   42    HD3  ARG   7           HD3      ARG   7  21.923   5.057  -5.337
   43   HH11  ARG   7          HH11      ARG   7  23.437   5.015  -2.189
   44   HH12  ARG   7          HH12      ARG   7  25.171   4.713  -1.646
   45   HH21  ARG   7          HH21      ARG   7  26.286   4.826  -4.852
   46   HH22  ARG   7          HH22      ARG   7  26.669   4.660  -3.065
   47    H    CYS   8           H        CYS   8  18.514   9.256  -2.465
   48    HA   CYS   8           HA       CYS   8  16.301   9.106  -4.322
   49    HB2  CYS   8           HB2      CYS   8  14.963  10.184  -2.502
   50    HB3  CYS   8           HB3      CYS   8  16.002   8.890  -1.919
   51    H    ALA   9           H        ALA   9  17.949  12.160  -3.405
   52    HA   ALA   9           HA       ALA   9  17.209  13.377  -6.054
   53    HB1  ALA   9           HB1      ALA   9  15.095  13.787  -4.787
   54    HB2  ALA   9           HB2      ALA   9  15.999  14.591  -3.474
   55    HB3  ALA   9           HB3      ALA   9  15.947  15.324  -5.087
   56    H    TRP  10           H        TRP  10  19.403  13.602  -6.334
   57    HA   TRP  10           HA       TRP  10  21.600  14.348  -6.066
   58    HB2  TRP  10           HB2      TRP  10  21.961  16.740  -6.264
   59    HB3  TRP  10           HB3      TRP  10  20.773  16.087  -7.347
   60    HD1  TRP  10           HD1      TRP  10  18.196  16.890  -7.126
   61    HE1  TRP  10           HE1      TRP  10  17.126  19.187  -6.330
   62    HE3  TRP  10           HE3      TRP  10  22.149  18.458  -4.293
   63    HZ2  TRP  10           HZ2      TRP  10  17.982  21.213  -4.588
   64    HZ3  TRP  10           HZ3      TRP  10  21.931  20.570  -3.030
   65    HH2  TRP  10           HH2      TRP  10  19.902  21.948  -3.202
   66    H    ARG  11           H        ARG  11  20.627  16.555  -3.656
   67    HA   ARG  11           HA       ARG  11  21.230  15.002  -1.373
   68    HB2  ARG  11           HB2      ARG  11  23.702  15.417  -2.077
   69    HB3  ARG  11           HB3      ARG  11  23.445  17.129  -1.809
   70    HG2  ARG  11           HG2      ARG  11  22.762  16.446   0.667
   71    HG3  ARG  11           HG3      ARG  11  23.336  14.832   0.257
   72    HD2  ARG  11           HD2      ARG  11  25.628  15.713  -0.226
   73    HD3  ARG  11           HD3      ARG  11  25.106  17.378  -0.008
   74   HH11  ARG  11          HH11      ARG  11  24.050  18.384   1.550
   75   HH12  ARG  11          HH12      ARG  11  24.169  18.808   3.346
   76   HH21  ARG  11          HH21      ARG  11  25.757  15.907   4.014
   77   HH22  ARG  11          HH22      ARG  11  25.125  17.525   4.642
   78    H    CYS  12           H        CYS  12  19.019  16.115  -1.653
   79    HA   CYS  12           HA       CYS  12  18.969  19.084  -1.492
   80    HB2  CYS  12           HB2      CYS  12  17.806  17.608  -3.198
   81    HB3  CYS  12           HB3      CYS  12  16.680  17.084  -1.937
   82    HN1  NH2  13           HN1      NH2  13  18.153  19.309   2.041
   83    HN2  NH2  13           HN2      NH2  13  19.593  19.279   0.885
  Start of MODEL   11
    1    H1   GLY   1           H1       GLY   1  11.105  13.572  -4.524
    2    H2   GLY   1           H2       GLY   1   9.571  14.034  -4.849
    3    HA2  GLY   1           HA2      GLY   1  10.968  15.894  -5.349
    4    HA3  GLY   1           HA3      GLY   1  10.012  16.285  -3.928
    5    H    CYS   2           H        CYS   2  11.420  17.658  -2.988
    6    HA   CYS   2           HA       CYS   2  14.318  17.346  -2.911
    7    HB2  CYS   2           HB2      CYS   2  13.128  19.494  -3.044
    8    HB3  CYS   2           HB3      CYS   2  12.404  19.264  -1.440
    9    H    CYS   3           H        CYS   3  14.420  15.172  -1.926
   10    HA   CYS   3           HA       CYS   3  14.109  14.911   1.047
   11    HB2  CYS   3           HB2      CYS   3  14.863  12.627   0.695
   12    HB3  CYS   3           HB3      CYS   3  13.720  13.003  -0.591
   13    H    SER   4           H        SER   4  15.622  15.145   2.603
   14    HA   SER   4           HA       SER   4  18.399  16.081   2.080
   15    HB2  SER   4           HB2      SER   4  18.626  16.072   4.526
   16    HB3  SER   4           HB3      SER   4  17.134  16.851   4.025
   17    HG   SER   4           HG       SER   4  16.054  15.388   5.138
   18    H    ASP   5           H        ASP   5  18.750  14.165   0.613
   19    HA   ASP   5           HA       ASP   5  20.582  12.168   1.894
   20    HB2  ASP   5           HB2      ASP   5  17.716  11.521   1.474
   21    HB3  ASP   5           HB3      ASP   5  18.620  10.581   0.319
   22    HD2  ASP   5           HD2      ASP   5  20.282   8.652   2.619
   23    H    LYS   6           H        LYS   6  21.807  10.902   0.551
   24    HA   LYS   6           HA       LYS   6  22.702  12.126  -1.907
   25    HB2  LYS   6           HB2      LYS   6  24.034  10.802  -0.185
   26    HB3  LYS   6           HB3      LYS   6  23.270   9.331  -0.748
   27    HG2  LYS   6           HG2      LYS   6  25.469   9.409  -1.656
   28    HG3  LYS   6           HG3      LYS   6  24.363   9.617  -3.006
   29    HD2  LYS   6           HD2      LYS   6  24.780  12.100  -3.006
   30    HD3  LYS   6           HD3      LYS   6  25.797  11.966  -1.569
   31    HE2  LYS   6           HE2      LYS   6  27.453  10.549  -2.814
   32    HE3  LYS   6           HE3      LYS   6  26.406  10.538  -4.248
   33    HZ1  LYS   6           HZ1      LYS   6  27.733  12.932  -3.045
   34    HZ3  LYS   6           HZ3      LYS   6  28.054  12.251  -4.504
   35    H    ARG   7           H        ARG   7  21.066   8.911  -1.703
   36    HA   ARG   7           HA       ARG   7  21.011   8.668  -4.660
   37    HB2  ARG   7           HB2      ARG   7  19.711   6.899  -2.513
   38    HB3  ARG   7           HB3      ARG   7  19.722   6.542  -4.228
   39    HG2  ARG   7           HG2      ARG   7  22.234   6.516  -4.272
   40    HG3  ARG   7           HG3      ARG   7  22.282   6.872  -2.548
   41    HD2  ARG   7           HD2      ARG   7  20.994   4.763  -2.039
   42    HD3  ARG   7           HD3      ARG   7  20.857   4.385  -3.733
   43   HH11  ARG   7          HH11      ARG   7  22.593   5.308  -0.773
   44   HH12  ARG   7          HH12      ARG   7  24.225   4.723  -0.130
   45   HH21  ARG   7          HH21      ARG   7  24.843   2.951  -2.929
   46   HH22  ARG   7          HH22      ARG   7  25.362   3.443  -1.227
   47    H    CYS   8           H        CYS   8  18.209   9.106  -2.406
   48    HA   CYS   8           HA       CYS   8  16.168   9.097  -4.422
   49    HB2  CYS   8           HB2      CYS   8  14.754  10.273  -2.695
   50    HB3  CYS   8           HB3      CYS   8  15.653   8.887  -2.072
   51    H    ALA   9           H        ALA   9  17.728  12.125  -3.297
   52    HA   ALA   9           HA       ALA   9  17.284  13.358  -6.017
   53    HB1  ALA   9           HB1      ALA   9  15.089  13.806  -4.890
   54    HB2  ALA   9           HB2      ALA   9  15.926  14.624  -3.547
   55    HB3  ALA   9           HB3      ALA   9  15.981  15.316  -5.181
   56    H    TRP  10           H        TRP  10  19.560  13.273  -5.995
   57    HA   TRP  10           HA       TRP  10  21.688  14.168  -5.791
   58    HB2  TRP  10           HB2      TRP  10  21.920  16.573  -6.247
   59    HB3  TRP  10           HB3      TRP  10  20.885  15.683  -7.313
   60    HD1  TRP  10           HD1      TRP  10  18.126  16.127  -7.128
   61    HE1  TRP  10           HE1      TRP  10  16.701  18.257  -6.457
   62    HE3  TRP  10           HE3      TRP  10  21.926  18.663  -4.873
   63    HZ2  TRP  10           HZ2      TRP  10  17.369  20.698  -5.165
   64    HZ3  TRP  10           HZ3      TRP  10  21.476  20.933  -3.969
   65    HH2  TRP  10           HH2      TRP  10  19.240  21.931  -4.122
   66    H    ARG  11           H        ARG  11  20.698  16.718  -3.734
   67    HA   ARG  11           HA       ARG  11  21.160  15.384  -1.254
   68    HB2  ARG  11           HB2      ARG  11  23.617  15.615  -1.799
   69    HB3  ARG  11           HB3      ARG  11  23.454  17.359  -1.892
   70    HG2  ARG  11           HG2      ARG  11  22.761  17.365   0.600
   71    HG3  ARG  11           HG3      ARG  11  22.996  15.618   0.636
   72    HD2  ARG  11           HD2      ARG  11  25.425  15.904   0.032
   73    HD3  ARG  11           HD3      ARG  11  25.219  17.637  -0.164
   74   HH11  ARG  11          HH11      ARG  11  24.730  19.256   1.013
   75   HH12  ARG  11          HH12      ARG  11  24.842  20.009   2.696
   76   HH21  ARG  11          HH21      ARG  11  25.292  17.078   4.217
   77   HH22  ARG  11          HH22      ARG  11  25.096  18.904   4.325
   78    H    CYS  12           H        CYS  12  18.990  16.373  -1.554
   79    HA   CYS  12           HA       CYS  12  18.810  19.372  -1.476
   80    HB2  CYS  12           HB2      CYS  12  17.688  17.782  -3.146
   81    HB3  CYS  12           HB3      CYS  12  16.583  17.305  -1.853
   82    HN1  NH2  13           HN1      NH2  13  18.210  19.478   2.106
   83    HN2  NH2  13           HN2      NH2  13  19.599  19.388   0.899
  Start of MODEL   12
    1    H1   GLY   1           H1       GLY   1   9.631  14.013  -4.157
    2    H2   GLY   1           H2       GLY   1  10.311  14.359  -2.717
    3    HA2  GLY   1           HA2      GLY   1  10.930  15.695  -5.313
    4    HA3  GLY   1           HA3      GLY   1  10.003  16.399  -3.996
    5    H    CYS   2           H        CYS   2  11.129  17.233  -2.262
    6    HA   CYS   2           HA       CYS   2  14.189  17.417  -2.498
    7    HB2  CYS   2           HB2      CYS   2  12.873  19.555  -2.517
    8    HB3  CYS   2           HB3      CYS   2  12.286  19.204  -0.877
    9    H    CYS   3           H        CYS   3  14.265  15.193  -1.750
   10    HA   CYS   3           HA       CYS   3  14.014  14.724   1.248
   11    HB2  CYS   3           HB2      CYS   3  14.726  12.442   0.690
   12    HB3  CYS   3           HB3      CYS   3  13.452  12.905  -0.442
   13    H    SER   4           H        SER   4  15.704  15.028   2.649
   14    HA   SER   4           HA       SER   4  18.360  16.082   1.615
   15    HB2  SER   4           HB2      SER   4  18.886  16.736   3.818
   16    HB3  SER   4           HB3      SER   4  17.270  17.296   3.414
   17    HG   SER   4           HG       SER   4  18.136  15.691   5.415
   18    H    ASP   5           H        ASP   5  18.723  14.157   0.543
   19    HA   ASP   5           HA       ASP   5  20.421  12.074   1.952
   20    HB2  ASP   5           HB2      ASP   5  18.092  11.285   2.253
   21    HB3  ASP   5           HB3      ASP   5  17.692  11.593   0.578
   22    HD2  ASP   5           HD2      ASP   5  20.010   8.380   1.419
   23    H    LYS   6           H        LYS   6  21.901  11.150   0.593
   24    HA   LYS   6           HA       LYS   6  22.510  12.342  -2.002
   25    HB2  LYS   6           HB2      LYS   6  24.164  11.366  -0.393
   26    HB3  LYS   6           HB3      LYS   6  23.555   9.755  -0.698
   27    HG2  LYS   6           HG2      LYS   6  25.682  10.180  -1.889
   28    HG3  LYS   6           HG3      LYS   6  24.393   9.775  -3.004
   29    HD2  LYS   6           HD2      LYS   6  25.720  11.548  -3.997
   30    HD3  LYS   6           HD3      LYS   6  24.122  12.167  -3.656
   31    HE2  LYS   6           HE2      LYS   6  25.120  13.187  -1.438
   32    HE3  LYS   6           HE3      LYS   6  26.716  12.699  -2.039
   33    HZ1  LYS   6           HZ1      LYS   6  26.168  14.009  -4.106
   34    HZ3  LYS   6           HZ3      LYS   6  24.749  14.429  -3.474
   35    H    ARG   7           H        ARG   7  21.012   9.168  -1.389
   36    HA   ARG   7           HA       ARG   7  21.070   8.395  -4.242
   37    HB2  ARG   7           HB2      ARG   7  19.888   7.130  -1.695
   38    HB3  ARG   7           HB3      ARG   7  19.592   6.422  -3.264
   39    HG2  ARG   7           HG2      ARG   7  21.931   6.106  -3.772
   40    HG3  ARG   7           HG3      ARG   7  22.480   7.038  -2.400
   41    HD2  ARG   7           HD2      ARG   7  20.745   4.539  -1.915
   42    HD3  ARG   7           HD3      ARG   7  22.396   4.318  -2.410
   43   HH11  ARG   7          HH11      ARG   7  24.174   5.741  -1.884
   44   HH12  ARG   7          HH12      ARG   7  25.345   5.815  -0.453
   45   HH21  ARG   7          HH21      ARG   7  22.881   5.214   1.760
   46   HH22  ARG   7          HH22      ARG   7  24.643   5.640   1.446
   47    H    CYS   8           H        CYS   8  18.224   9.497  -2.353
   48    HA   CYS   8           HA       CYS   8  16.383   9.143  -4.673
   49    HB2  CYS   8           HB2      CYS   8  14.735  10.415  -3.215
   50    HB3  CYS   8           HB3      CYS   8  15.429   8.961  -2.499
   51    H    ALA   9           H        ALA   9  17.511  12.269  -3.254
   52    HA   ALA   9           HA       ALA   9  17.253  13.537  -6.047
   53    HB1  ALA   9           HB1      ALA   9  15.114  13.923  -4.821
   54    HB2  ALA   9           HB2      ALA   9  16.008  14.696  -3.480
   55    HB3  ALA   9           HB3      ALA   9  16.005  15.436  -5.090
   56    H    TRP  10           H        TRP  10  19.498  13.464  -6.176
   57    HA   TRP  10           HA       TRP  10  21.653  14.296  -6.029
   58    HB2  TRP  10           HB2      TRP  10  21.961  16.615  -6.487
   59    HB3  TRP  10           HB3      TRP  10  20.660  15.932  -7.411
   60    HD1  TRP  10           HD1      TRP  10  18.042  16.672  -6.631
   61    HE1  TRP  10           HE1      TRP  10  17.049  18.834  -5.473
   62    HE3  TRP  10           HE3      TRP  10  22.499  18.561  -5.002
   63    HZ2  TRP  10           HZ2      TRP  10  18.233  21.029  -4.136
   64    HZ3  TRP  10           HZ3      TRP  10  22.500  20.680  -3.732
   65    HH2  TRP  10           HH2      TRP  10  20.390  21.892  -3.288
   66    H    ARG  11           H        ARG  11  20.874  16.770  -3.837
   67    HA   ARG  11           HA       ARG  11  20.926  15.133  -1.528
   68    HB2  ARG  11           HB2      ARG  11  23.495  15.352  -1.785
   69    HB3  ARG  11           HB3      ARG  11  23.326  17.070  -1.490
   70    HG2  ARG  11           HG2      ARG  11  22.176  16.364   0.814
   71    HG3  ARG  11           HG3      ARG  11  22.702  14.718   0.431
   72    HD2  ARG  11           HD2      ARG  11  25.111  15.682   0.133
   73    HD3  ARG  11           HD3      ARG  11  24.477  17.241   0.657
   74   HH11  ARG  11          HH11      ARG  11  26.586  16.984   1.543
   75   HH12  ARG  11          HH12      ARG  11  27.318  16.888   3.230
   76   HH21  ARG  11          HH21      ARG  11  24.655  15.217   4.450
   77   HH22  ARG  11          HH22      ARG  11  26.301  15.977   4.763
   78    H    CYS  12           H        CYS  12  18.880  16.308  -1.915
   79    HA   CYS  12           HA       CYS  12  18.760  19.220  -1.685
   80    HB2  CYS  12           HB2      CYS  12  17.320  17.668  -3.105
   81    HB3  CYS  12           HB3      CYS  12  16.418  17.239  -1.645
   82    HN1  NH2  13           HN1      NH2  13  18.619  19.499   1.938
   83    HN2  NH2  13           HN2      NH2  13  19.719  19.598   0.475
  Start of MODEL   13
    1    H1   GLY   1           H1       GLY   1   9.132  14.877  -4.906
    2    H2   GLY   1           H2       GLY   1   9.717  14.686  -3.404
    3    HA2  GLY   1           HA2      GLY   1  10.838  16.466  -5.528
    4    HA3  GLY   1           HA3      GLY   1   9.955  17.004  -4.114
    5    H    CYS   2           H        CYS   2  11.209  17.679  -2.503
    6    HA   CYS   2           HA       CYS   2  14.208  17.349  -2.687
    7    HB2  CYS   2           HB2      CYS   2  13.068  19.574  -2.669
    8    HB3  CYS   2           HB3      CYS   2  12.446  19.257  -1.037
    9    H    CYS   3           H        CYS   3  14.437  15.211  -1.851
   10    HA   CYS   3           HA       CYS   3  14.087  14.787   1.138
   11    HB2  CYS   3           HB2      CYS   3  14.712  12.501   0.685
   12    HB3  CYS   3           HB3      CYS   3  13.572  12.958  -0.580
   13    H    SER   4           H        SER   4  15.720  15.032   2.631
   14    HA   SER   4           HA       SER   4  18.423  16.046   1.779
   15    HB2  SER   4           HB2      SER   4  18.822  16.424   4.178
   16    HB3  SER   4           HB3      SER   4  17.351  17.156   3.572
   17    HG   SER   4           HG       SER   4  17.655  14.984   5.367
   18    H    ASP   5           H        ASP   5  18.725  14.073   0.581
   19    HA   ASP   5           HA       ASP   5  20.611  12.109   1.922
   20    HB2  ASP   5           HB2      ASP   5  18.430  11.160   2.454
   21    HB3  ASP   5           HB3      ASP   5  17.803  11.439   0.858
   22    HD2  ASP   5           HD2      ASP   5  19.868   8.159   1.692
   23    H    LYS   6           H        LYS   6  22.205  11.640   0.552
   24    HA   LYS   6           HA       LYS   6  22.564  12.566  -2.076
   25    HB2  LYS   6           HB2      LYS   6  24.307  11.760  -0.487
   26    HB3  LYS   6           HB3      LYS   6  23.818  10.100  -0.748
   27    HG2  LYS   6           HG2      LYS   6  25.854  10.484  -1.976
   28    HG3  LYS   6           HG3      LYS   6  24.577  10.231  -3.140
   29    HD2  LYS   6           HD2      LYS   6  25.944  11.988  -4.000
   30    HD3  LYS   6           HD3      LYS   6  24.449  12.764  -3.514
   31    HE2  LYS   6           HE2      LYS   6  25.580  13.547  -1.356
   32    HE3  LYS   6           HE3      LYS   6  27.068  12.727  -1.855
   33    HZ1  LYS   6           HZ1      LYS   6  25.740  14.966  -3.331
   34    HZ3  LYS   6           HZ3      LYS   6  27.162  15.044  -2.510
   35    H    ARG   7           H        ARG   7  21.218   9.346  -1.396
   36    HA   ARG   7           HA       ARG   7  21.207   8.485  -4.254
   37    HB2  ARG   7           HB2      ARG   7  20.109   7.273  -1.656
   38    HB3  ARG   7           HB3      ARG   7  19.696   6.577  -3.205
   39    HG2  ARG   7           HG2      ARG   7  22.015   6.188  -3.832
   40    HG3  ARG   7           HG3      ARG   7  22.637   7.105  -2.488
   41    HD2  ARG   7           HD2      ARG   7  21.008   4.499  -2.161
   42    HD3  ARG   7           HD3      ARG   7  22.747   4.538  -2.339
   43   HH11  ARG   7          HH11      ARG   7  24.151   6.162  -1.502
   44   HH12  ARG   7          HH12      ARG   7  24.908   6.653   0.109
   45   HH21  ARG   7          HH21      ARG   7  22.281   5.470   1.837
   46   HH22  ARG   7          HH22      ARG   7  23.972   6.204   1.856
   47    H    CYS   8           H        CYS   8  18.398   9.299  -2.147
   48    HA   CYS   8           HA       CYS   8  16.485   9.005  -4.316
   49    HB2  CYS   8           HB2      CYS   8  14.866  10.056  -2.703
   50    HB3  CYS   8           HB3      CYS   8  15.815   8.745  -2.010
   51    H    ALA   9           H        ALA   9  17.823  12.169  -3.192
   52    HA   ALA   9           HA       ALA   9  17.113  13.338  -5.914
   53    HB1  ALA   9           HB1      ALA   9  15.025  13.696  -4.541
   54    HB2  ALA   9           HB2      ALA   9  15.982  14.579  -3.321
   55    HB3  ALA   9           HB3      ALA   9  15.821  15.230  -4.957
   56    H    TRP  10           H        TRP  10  19.369  13.400  -6.148
   57    HA   TRP  10           HA       TRP  10  21.466  14.352  -6.140
   58    HB2  TRP  10           HB2      TRP  10  21.717  16.752  -6.433
   59    HB3  TRP  10           HB3      TRP  10  20.565  15.961  -7.459
   60    HD1  TRP  10           HD1      TRP  10  17.926  16.564  -7.205
   61    HE1  TRP  10           HE1      TRP  10  16.679  18.795  -6.458
   62    HE3  TRP  10           HE3      TRP  10  21.836  18.603  -4.638
   63    HZ2  TRP  10           HZ2      TRP  10  17.482  21.046  -4.978
   64    HZ3  TRP  10           HZ3      TRP  10  21.538  20.820  -3.590
   65    HH2  TRP  10           HH2      TRP  10  19.411  22.050  -3.810
   66    H    ARG  11           H        ARG  11  20.777  16.743  -3.778
   67    HA   ARG  11           HA       ARG  11  20.959  14.965  -1.595
   68    HB2  ARG  11           HB2      ARG  11  23.538  15.247  -1.967
   69    HB3  ARG  11           HB3      ARG  11  23.351  16.902  -1.426
   70    HG2  ARG  11           HG2      ARG  11  22.239  15.822   0.776
   71    HG3  ARG  11           HG3      ARG  11  22.833  14.289   0.151
   72    HD2  ARG  11           HD2      ARG  11  25.213  15.345   0.077
   73    HD3  ARG  11           HD3      ARG  11  24.521  16.793   0.807
   74   HH11  ARG  11          HH11      ARG  11  26.264  16.838   1.968
   75   HH12  ARG  11          HH12      ARG  11  26.935  16.504   3.651
   76   HH21  ARG  11          HH21      ARG  11  24.773  13.999   4.217
   77   HH22  ARG  11          HH22      ARG  11  26.134  15.092   4.806
   78    H    CYS  12           H        CYS  12  18.916  16.182  -1.922
   79    HA   CYS  12           HA       CYS  12  18.864  19.089  -1.513
   80    HB2  CYS  12           HB2      CYS  12  17.594  17.673  -3.210
   81    HB3  CYS  12           HB3      CYS  12  16.534  17.123  -1.903
   82    HN1  NH2  13           HN1      NH2  13  18.290  19.116   2.079
   83    HN2  NH2  13           HN2      NH2  13  19.645  19.123   0.825
  Start of MODEL   14
    1    H1   GLY   1           H1       GLY   1   9.794  16.004  -6.037
    2    H2   GLY   1           H2       GLY   1  11.170  16.809  -6.370
    3    HA2  GLY   1           HA2      GLY   1  10.556  15.359  -3.825
    4    HA3  GLY   1           HA3      GLY   1  11.617  14.776  -5.087
    5    H    CYS   2           H        CYS   2  11.333  17.142  -2.533
    6    HA   CYS   2           HA       CYS   2  14.379  17.422  -2.459
    7    HB2  CYS   2           HB2      CYS   2  12.898  19.455  -2.385
    8    HB3  CYS   2           HB3      CYS   2  12.173  18.876  -0.878
    9    H    CYS   3           H        CYS   3  14.914  15.334  -1.754
   10    HA   CYS   3           HA       CYS   3  14.313  14.631   1.180
   11    HB2  CYS   3           HB2      CYS   3  15.203  12.420   0.716
   12    HB3  CYS   3           HB3      CYS   3  13.940  12.753  -0.468
   13    H    SER   4           H        SER   4  15.977  14.749   2.648
   14    HA   SER   4           HA       SER   4  18.559  16.149   1.811
   15    HB2  SER   4           HB2      SER   4  18.861  16.622   4.159
   16    HB3  SER   4           HB3      SER   4  17.268  17.139   3.642
   17    HG   SER   4           HG       SER   4  17.362  16.018   5.685
   18    H    ASP   5           H        ASP   5  18.831  13.955   0.643
   19    HA   ASP   5           HA       ASP   5  21.102  12.538   1.977
   20    HB2  ASP   5           HB2      ASP   5  18.968  11.414   2.934
   21    HB3  ASP   5           HB3      ASP   5  18.537  10.919   1.312
   22    HD2  ASP   5           HD2      ASP   5  21.917   9.256   2.739
   23    H    LYS   6           H        LYS   6  22.395  11.366   0.573
   24    HA   LYS   6           HA       LYS   6  22.726  12.336  -1.993
   25    HB2  LYS   6           HB2      LYS   6  24.388  11.163  -0.449
   26    HB3  LYS   6           HB3      LYS   6  23.721   9.626  -0.921
   27    HG2  LYS   6           HG2      LYS   6  25.737   9.910  -2.153
   28    HG3  LYS   6           HG3      LYS   6  24.450  10.065  -3.321
   29    HD2  LYS   6           HD2      LYS   6  26.034  11.763  -3.878
   30    HD3  LYS   6           HD3      LYS   6  24.688  12.639  -3.174
   31    HE2  LYS   6           HE2      LYS   6  25.942  12.783  -0.954
   32    HE3  LYS   6           HE3      LYS   6  27.275  11.846  -1.643
   33    HZ1  LYS   6           HZ1      LYS   6  27.572  13.563  -3.330
   34    HZ3  LYS   6           HZ3      LYS   6  26.302  14.416  -2.838
   35    H    ARG   7           H        ARG   7  21.652   8.881  -1.728
   36    HA   ARG   7           HA       ARG   7  21.268   8.815  -4.706
   37    HB2  ARG   7           HB2      ARG   7  21.021   6.721  -2.497
   38    HB3  ARG   7           HB3      ARG   7  20.529   6.334  -4.104
   39    HG2  ARG   7           HG2      ARG   7  22.671   6.461  -5.050
   40    HG3  ARG   7           HG3      ARG   7  23.303   7.570  -3.860
   41    HD2  ARG   7           HD2      ARG   7  22.578   4.649  -3.107
   42    HD3  ARG   7           HD3      ARG   7  24.139   5.102  -3.800
   43   HH11  ARG   7          HH11      ARG   7  25.250   4.057  -2.417
   44   HH12  ARG   7          HH12      ARG   7  26.240   4.219  -0.879
   45   HH21  ARG   7          HH21      ARG   7  24.395   6.819   0.221
   46   HH22  ARG   7          HH22      ARG   7  25.797   5.644   0.498
   47    H    CYS   8           H        CYS   8  18.989   9.757  -2.412
   48    HA   CYS   8           HA       CYS   8  16.590   8.759  -3.928
   49    HB2  CYS   8           HB2      CYS   8  15.303  10.010  -2.198
   50    HB3  CYS   8           HB3      CYS   8  16.456   8.852  -1.528
   51    H    ALA   9           H        ALA   9  17.590  12.156  -3.321
   52    HA   ALA   9           HA       ALA   9  16.938  12.907  -6.182
   53    HB1  ALA   9           HB1      ALA   9  14.695  12.990  -5.110
   54    HB2  ALA   9           HB2      ALA   9  15.297  14.093  -3.845
   55    HB3  ALA   9           HB3      ALA   9  15.241  14.621  -5.541
   56    H    TRP  10           H        TRP  10  18.966  13.592  -6.453
   57    HA   TRP  10           HA       TRP  10  21.052  14.510  -6.062
   58    HB2  TRP  10           HB2      TRP  10  21.307  16.783  -6.414
   59    HB3  TRP  10           HB3      TRP  10  19.952  16.223  -7.338
   60    HD1  TRP  10           HD1      TRP  10  17.408  17.065  -6.522
   61    HE1  TRP  10           HE1      TRP  10  16.646  19.432  -5.593
   62    HE3  TRP  10           HE3      TRP  10  21.983  18.527  -4.798
   63    HZ2  TRP  10           HZ2      TRP  10  17.977  21.442  -4.097
   64    HZ3  TRP  10           HZ3      TRP  10  22.181  20.688  -3.609
   65    HH2  TRP  10           HH2      TRP  10  20.209  22.114  -3.241
   66    H    ARG  11           H        ARG  11  20.229  16.833  -3.704
   67    HA   ARG  11           HA       ARG  11  20.566  15.227  -1.353
   68    HB2  ARG  11           HB2      ARG  11  23.030  15.159  -2.106
   69    HB3  ARG  11           HB3      ARG  11  23.131  16.887  -1.860
   70    HG2  ARG  11           HG2      ARG  11  22.526  16.514   0.619
   71    HG3  ARG  11           HG3      ARG  11  22.411  14.782   0.305
   72    HD2  ARG  11           HD2      ARG  11  24.845  14.743  -0.409
   73    HD3  ARG  11           HD3      ARG  11  24.986  16.468  -0.141
   74   HH11  ARG  11          HH11      ARG  11  25.311  17.650   1.360
   75   HH12  ARG  11          HH12      ARG  11  25.864  17.852   3.107
   76   HH21  ARG  11          HH21      ARG  11  25.031  14.693   3.882
   77   HH22  ARG  11          HH22      ARG  11  25.586  16.359   4.450
   78    H    CYS  12           H        CYS  12  18.663  16.458  -1.081
   79    HA   CYS  12           HA       CYS  12  18.818  19.496  -0.980
   80    HB2  CYS  12           HB2      CYS  12  17.498  18.232  -2.717
   81    HB3  CYS  12           HB3      CYS  12  16.508  17.508  -1.447
   82    HN1  NH2  13           HN1      NH2  13  18.205  19.418   2.623
   83    HN2  NH2  13           HN2      NH2  13  19.584  19.415   1.420
  Start of MODEL   15
    1    H1   GLY   1           H1       GLY   1   9.350  15.796  -5.735
    2    H2   GLY   1           H2       GLY   1  10.204  17.128  -5.366
    3    HA2  GLY   1           HA2      GLY   1  10.961  14.433  -4.313
    4    HA3  GLY   1           HA3      GLY   1  11.514  15.010  -5.866
    5    H    CYS   2           H        CYS   2  11.396  16.008  -2.477
    6    HA   CYS   2           HA       CYS   2  14.378  16.733  -2.597
    7    HB2  CYS   2           HB2      CYS   2  13.049  18.848  -2.892
    8    HB3  CYS   2           HB3      CYS   2  12.193  18.527  -1.371
    9    H    CYS   3           H        CYS   3  14.648  14.684  -1.627
   10    HA   CYS   3           HA       CYS   3  14.135  14.486   1.377
   11    HB2  CYS   3           HB2      CYS   3  15.146  12.291   1.191
   12    HB3  CYS   3           HB3      CYS   3  13.998  12.418  -0.147
   13    H    SER   4           H        SER   4  15.882  14.598   2.871
   14    HA   SER   4           HA       SER   4  18.314  16.227   2.001
   15    HB2  SER   4           HB2      SER   4  18.695  16.617   4.336
   16    HB3  SER   4           HB3      SER   4  17.027  16.991   3.948
   17    HG   SER   4           HG       SER   4  17.245  15.820   5.895
   18    H    ASP   5           H        ASP   5  18.718  14.154   0.698
   19    HA   ASP   5           HA       ASP   5  20.960  12.545   1.935
   20    HB2  ASP   5           HB2      ASP   5  18.865  11.456   2.809
   21    HB3  ASP   5           HB3      ASP   5  18.224  11.283   1.190
   22    HD2  ASP   5           HD2      ASP   5  21.288   8.948   2.404
   23    H    LYS   6           H        LYS   6  22.193  11.380   0.497
   24    HA   LYS   6           HA       LYS   6  22.692  12.381  -2.049
   25    HB2  LYS   6           HB2      LYS   6  24.193  11.025  -0.503
   26    HB3  LYS   6           HB3      LYS   6  23.371   9.573  -1.004
   27    HG2  LYS   6           HG2      LYS   6  25.360   9.580  -2.278
   28    HG3  LYS   6           HG3      LYS   6  24.145  10.067  -3.431
   29    HD2  LYS   6           HD2      LYS   6  25.937  11.536  -3.859
   30    HD3  LYS   6           HD3      LYS   6  24.825  12.552  -2.959
   31    HE2  LYS   6           HE2      LYS   6  26.170  12.198  -0.847
   32    HE3  LYS   6           HE3      LYS   6  27.245  11.070  -1.684
   33    HZ1  LYS   6           HZ1      LYS   6  27.812  12.895  -3.238
   34    HZ3  LYS   6           HZ3      LYS   6  26.833  13.925  -2.452
   35    H    ARG   7           H        ARG   7  21.403   9.005  -1.932
   36    HA   ARG   7           HA       ARG   7  20.909   9.200  -4.883
   37    HB2  ARG   7           HB2      ARG   7  20.883   6.887  -2.895
   38    HB3  ARG   7           HB3      ARG   7  20.310   6.653  -4.521
   39    HG2  ARG   7           HG2      ARG   7  22.382   7.216  -5.568
   40    HG3  ARG   7           HG3      ARG   7  23.067   7.953  -4.144
   41    HD2  ARG   7           HD2      ARG   7  22.330   4.943  -4.121
   42    HD3  ARG   7           HD3      ARG   7  23.795   5.521  -4.913
   43   HH11  ARG   7          HH11      ARG   7  24.980   4.105  -4.041
   44   HH12  ARG   7          HH12      ARG   7  26.219   3.836  -2.695
   45   HH21  ARG   7          HH21      ARG   7  24.788   6.156  -0.716
   46   HH22  ARG   7          HH22      ARG   7  26.116   4.902  -0.958
   47    H    CYS   8           H        CYS   8  18.695   9.814  -2.460
   48    HA   CYS   8           HA       CYS   8  16.252   9.103  -4.138
   49    HB2  CYS   8           HB2      CYS   8  14.959  10.113  -2.238
   50    HB3  CYS   8           HB3      CYS   8  15.900   8.676  -1.857
   51    H    ALA   9           H        ALA   9  17.746  12.186  -3.042
   52    HA   ALA   9           HA       ALA   9  16.935  13.449  -5.682
   53    HB1  ALA   9           HB1      ALA   9  14.964  13.930  -4.205
   54    HB2  ALA   9           HB2      ALA   9  16.037  14.646  -2.977
   55    HB3  ALA   9           HB3      ALA   9  15.853  15.417  -4.568
   56    H    TRP  10           H        TRP  10  19.104  13.558  -6.137
   57    HA   TRP  10           HA       TRP  10  21.353  14.216  -6.028
   58    HB2  TRP  10           HB2      TRP  10  21.666  16.472  -6.615
   59    HB3  TRP  10           HB3      TRP  10  20.231  15.836  -7.354
   60    HD1  TRP  10           HD1      TRP  10  17.764  16.732  -6.295
   61    HE1  TRP  10           HE1      TRP  10  17.039  19.091  -5.333
   62    HE3  TRP  10           HE3      TRP  10  22.482  18.441  -5.370
   63    HZ2  TRP  10           HZ2      TRP  10  18.514  21.326  -4.400
   64    HZ3  TRP  10           HZ3      TRP  10  22.766  20.728  -4.476
   65    HH2  TRP  10           HH2      TRP  10  20.812  22.158  -4.008
   66    H    ARG  11           H        ARG  11  20.736  16.749  -3.791
   67    HA   ARG  11           HA       ARG  11  21.056  15.145  -1.477
   68    HB2  ARG  11           HB2      ARG  11  23.562  15.335  -2.065
   69    HB3  ARG  11           HB3      ARG  11  23.472  17.048  -1.726
   70    HG2  ARG  11           HG2      ARG  11  22.847  16.532   0.677
   71    HG3  ARG  11           HG3      ARG  11  22.805  14.807   0.318
   72    HD2  ARG  11           HD2      ARG  11  25.229  14.794  -0.279
   73    HD3  ARG  11           HD3      ARG  11  25.350  16.536  -0.124
   74   HH11  ARG  11          HH11      ARG  11  24.866  17.894   1.348
   75   HH12  ARG  11          HH12      ARG  11  25.086  18.383   3.110
   76   HH21  ARG  11          HH21      ARG  11  25.594  15.158   4.015
   77   HH22  ARG  11          HH22      ARG  11  25.584  16.935   4.495
   78    H    CYS  12           H        CYS  12  18.994  16.259  -1.674
   79    HA   CYS  12           HA       CYS  12  18.858  19.202  -1.598
   80    HB2  CYS  12           HB2      CYS  12  17.502  17.639  -3.041
   81    HB3  CYS  12           HB3      CYS  12  16.624  17.085  -1.612
   82    HN1  NH2  13           HN1      NH2  13  18.402  19.735   1.946
   83    HN2  NH2  13           HN2      NH2  13  19.490  19.988   0.486