*HEADER    TOXIN                                   21-SEP-06   2IFJ              
*TITLE     LYS6 DEAMIDATED 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, DISULFIDE LINKAGES, RIBBON CONFORMATION, NMR               
*EXPDTA    NMR, 16 STRUCTURES                                                    
*AUTHOR    R.M.KINI, T.S.KANG                                                    
*REVDAT   1   14-AUG-07 2IFJ    0                                                

!BIOSYM restraint 1
!
#distance
1:SER_4:HN         1:ASP_5:HN          1.900  5.000  1.00  1.00 1000.000
1:ARG_11:NH*       1:ARG_7:HN          1.900  5.000  1.00  1.00 1000.000
1:ALA_9:HN         1:TRP_10:HN         1.900  5.000  1.00  1.00 1000.000
1:ARG_11:HN        1:TRP_10: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:CYS_2:HN         1:CYS_3: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_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  3.800  1.00  1.00 1000.000
1:CYS_2:HA         1:CYS_3:HN          1.900  3.100  1.00  1.00 1000.000
1:SER_4:HA         1:SER_4:HN          1.900  3.800  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:CYS_3:HB*        1:CYS_3:HN          1.900  3.800  1.00  1.00 1000.000
1:SER_4:HN         1:CYS_3:HB*         1.900  3.800  1.00  1.00 1000.000
1:CYS_8:HB*        1:CYS_3:HN          1.900  5.000  1.00  1.00 1000.000
1:CYS_2:HB*        1:CYS_3:HN          1.900  5.000  1.00  1.00 1000.000
1:CYS_2:HB*        1:CYS_2:HN          1.900  5.000  1.00  1.00 1000.000
1:CYS_2:HA         1:CYS_2:HN          1.900  5.000  1.00  1.00 1000.000
1:ASP_5:HA         1:LYS_6:HN          1.900  3.800  1.00  1.00 1000.000
1:CYS_8:HB*        1:ALA_9:HN          1.900  5.000  1.00  1.00 1000.000
1:ALA_9:HB*        1:ALA_9:HN          1.900  3.800  1.00  1.00 1000.000
1:LYS_6:HB*        1:LYS_6:HN          1.900  5.000  1.00  1.00 1000.000
1:ALA_9:HB*        1:ARG_11:HN         1.900  5.000  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_7:HB*        1:ARG_7:HN          1.900  5.000  1.00  1.00 1000.000
1:ARG_7:HG*        1:ARG_7:HN          1.900  5.000  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:CYS_8:HB*        1:CYS_8: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:CYS_8:HB*        1:TRP_10:HN         1.900  5.000  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:SER_4:HB*        1:ASP_5: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_12:HB*       1:CYS_12:HN         1.900  3.800  1.00  1.00 1000.000
1:TRP_10:HB*       1:ARG_11:HN         1.900  5.000  1.00  1.00 1000.000
1:CYS_8:HN         1:LYS_6:HA          1.900  5.000  1.00  1.00 1000.000
1:ARG_7:HA         1:CYS_8:HN          1.900  3.100  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:ASP_5:HA         1:ASP_5:HN          1.900  3.800  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:CYS_12:HA        1:CYS_12:HN         1.900  3.100  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:ARG_7:HA         1:ARG_7:HN          1.900  3.800  1.00  1.00 1000.000
1:LYS_6:HA         1:ARG_7: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  3.800  1.00  1.00 1000.000
1:TRP_10:HA        1:ARG_7:NH*         1.900  5.000  1.00  1.00 1000.000
1:ALA_9: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:LYS_6:HG*        1:LYS_6:HA          1.900  3.800  1.00  1.00 1000.000
1:LYS_6:HB*        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:ARG_7:HB*        1:ARG_7:HD*         1.900  3.800  1.00  1.00 1000.000
1:ARG_11:HD*       1:ARG_11:HB*        1.900  3.800  1.00  1.00 1000.000
1:ARG_7:HD*        1:ARG_7:HG*         1.900  3.100  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:CYS_2:HB2        1:CYS_2:HB1         1.900  3.100  1.00  1.00 1000.000
1:CYS_2:HB*        1:CYS_12:HB*        1.900  5.000  1.00  1.00 1000.000
1:CYS_8:HB*        1:CYS_3:HB*         1.900  5.000  1.00  1.00 1000.000
1:CYS_8:HB1        1:CYS_8:HB2         1.900  3.100  1.00  1.00 1000.000
1:CYS_3:HB2        1:CYS_3:HB1         1.900  3.100  1.00  1.00 1000.000
1:SER_4:HB*        1:SER_4:HA          1.900  3.100  1.00  1.00 1000.000
1:SER_4:HB*        1:ASP_5:HA          1.900  3.100  1.00  1.00 1000.000
1:ARG_7:HA         1:ARG_7:HG*         1.900  3.800  1.00  1.00 1000.000
1:CYS_12:HB*       1:CYS_12:HA         1.900  3.100  1.00  1.00 1000.000
1:ARG_11:HA        1:ARG_11:HD*        1.900  3.800  1.00  1.00 1000.000
1:CYS_3:HB*        1:ASP_5:HA          1.900  3.800  1.00  1.00 1000.000
1:TRP_10:HA        1:TRP_10:HB*        1.900  3.100  1.00  1.00 1000.000
1:CYS_3:HB*        1:CYS_3:HA          1.900  3.100  1.00  1.00 1000.000
1:CYS_2:HB*        1:CYS_2:HA          1.900  3.100  1.00  1.00 1000.000
1:ASP_5:HA         1:ARG_7:HB*         1.900  5.000  1.00  1.00 1000.000
1:ASP_5:HA         1:LYS_6:HD*         1.900  5.000  1.00  1.00 1000.000
1:ARG_11:HA        1:ARG_11:HB*        1.900  3.800  1.00  1.00 1000.000
1:ARG_11:HA        1:ARG_11:HG*        1.900  3.800  1.00  1.00 1000.000
1:ASP_5:HA         1:LYS_6:HG*         1.900  5.000  1.00  1.00 1000.000
1:ASP_5:HA         1:ALA_9:HB*         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           1H       GLY   1  12.110  12.134  -0.838
    2    H2   GLY   1           2H       GLY   1  11.631  12.372   0.687
    3    HA2  GLY   1           1HA      GLY   1  11.258  14.341  -1.530
    4    HA3  GLY   1           2HA      GLY   1  10.736  14.611   0.113
    5    H    CYS   2           H        CYS   2  12.194  15.418   1.510
    6    HA   CYS   2           HA       CYS   2  15.088  15.889   0.655
    7    HB2  CYS   2           1HB      CYS   2  13.463  17.716   1.649
    8    HB3  CYS   2           2HB      CYS   2  13.783  16.966   3.223
    9    H    CYS   3           H        CYS   3  15.645  13.643   0.762
   10    HA   CYS   3           HA       CYS   3  15.172  12.024   3.144
   11    HB2  CYS   3           1HB      CYS   3  16.954  11.377   0.709
   12    HB3  CYS   3           2HB      CYS   3  16.278  10.228   1.843
   13    H    SER   4           H        SER   4  16.458  11.077   4.548
   14    HA   SER   4           HA       SER   4  19.429  11.628   4.927
   15    HB2  SER   4           1HB      SER   4  17.539   9.672   6.383
   16    HB3  SER   4           2HB      SER   4  19.267   9.797   6.669
   17    HG   SER   4           HG       SER   4  17.408  11.965   6.982
   18    H    ASP   5           H        ASP   5  17.200   9.106   3.659
   19    HA   ASP   5           HA       ASP   5  19.281   7.184   2.936
   20    HB2  ASP   5           1HB      ASP   5  16.703   6.820   3.141
   21    HB3  ASP   5           2HB      ASP   5  16.537   7.552   1.555
   22    HD2  ASP   5           HD2      ASP   5  17.673   4.733  -0.083
   23    H    LYS   6           H        LYS   6  20.742   7.193   1.479
   24    HA   LYS   6           HA       LYS   6  21.469   9.788   0.652
   25    HB2  LYS   6           1HB      LYS   6  22.856   7.173  -0.146
   26    HB3  LYS   6           2HB      LYS   6  23.614   8.746  -0.166
   27    HG2  LYS   6           1HG      LYS   6  22.654   7.225   2.307
   28    HG3  LYS   6           2HG      LYS   6  24.313   7.370   1.773
   29    HD2  LYS   6           1HD      LYS   6  24.347   9.794   2.263
   30    HD3  LYS   6           2HD      LYS   6  22.634   9.822   2.645
   31    HE2  LYS   6           1HE      LYS   6  24.770   8.227   4.232
   32    HE3  LYS   6           2HE      LYS   6  24.140   9.820   4.672
   33    HZ1  LYS   6           2HZ      LYS   6  21.863   8.729   4.564
   34    HZ3  LYS   6           1HZ      LYS   6  22.590   7.290   4.492
   35    H    ARG   7           H        ARG   7  19.616   7.985  -1.444
   36    HA   ARG   7           HA       ARG   7  20.176  10.045  -3.538
   37    HB2  ARG   7           1HB      ARG   7  21.626   7.897  -3.994
   38    HB3  ARG   7           2HB      ARG   7  20.143   7.166  -4.547
   39    HG2  ARG   7           1HG      ARG   7  21.521   8.061  -6.403
   40    HG3  ARG   7           2HG      ARG   7  19.982   8.876  -6.396
   41    HD2  ARG   7           1HD      ARG   7  22.371  10.165  -4.907
   42    HD3  ARG   7           2HD      ARG   7  22.377  10.195  -6.644
   43   HH11  ARG   7          1HH1      ARG   7  22.261  11.823  -3.966
   44   HH12  ARG   7          2HH1      ARG   7  21.348  13.338  -3.437
   45   HH21  ARG   7          1HH2      ARG   7  19.107  12.937  -5.932
   46   HH22  ARG   7          2HH2      ARG   7  19.666  13.914  -4.465
   47    H    CYS   8           H        CYS   8  17.810   9.283  -1.831
   48    HA   CYS   8           HA       CYS   8  16.610  11.147  -3.922
   49    HB2  CYS   8           2HB      CYS   8  14.443  11.188  -2.769
   50    HB3  CYS   8           1HB      CYS   8  14.820   9.581  -3.381
   51    H    ALA   9           H        ALA   9  18.941  11.301  -2.042
   52    HA   ALA   9           HA       ALA   9  18.158  13.287   0.030
   53    HB1  ALA   9           3HB      ALA   9  20.878  12.048  -0.663
   54    HB2  ALA   9           1HB      ALA   9  20.466  12.959   0.805
   55    HB3  ALA   9           2HB      ALA   9  19.674  11.425   0.501
   56    H    TRP  10           H        TRP  10  17.389  14.837  -1.399
   57    HA   TRP  10           HA       TRP  10  19.354  17.142  -1.708
   58    HB2  TRP  10           1HB      TRP  10  16.999  17.114  -2.806
   59    HB3  TRP  10           2HB      TRP  10  16.302  17.219  -1.208
   60    HD1  TRP  10           HD1      TRP  10  16.371  19.672  -0.009
   61    HE1  TRP  10           HE1      TRP  10  16.878  22.142  -0.851
   62    HE3  TRP  10           HE3      TRP  10  18.694  18.330  -4.346
   63    HZ2  TRP  10           HZ2      TRP  10  18.081  23.170  -3.220
   64    HZ3  TRP  10           HZ3      TRP  10  19.527  20.108  -5.859
   65    HH2  TRP  10           HH2      TRP  10  19.201  22.480  -5.320
   66    H    ARG  11           H        ARG  11  20.475  17.527   0.125
   67    HA   ARG  11           HA       ARG  11  19.708  16.068   2.584
   68    HB2  ARG  11           1HB      ARG  11  22.279  17.404   1.620
   69    HB3  ARG  11           2HB      ARG  11  22.137  16.746   3.233
   70    HG2  ARG  11           1HG      ARG  11  21.549  14.483   2.409
   71    HG3  ARG  11           2HG      ARG  11  21.505  15.042   0.741
   72    HD2  ARG  11           1HD      ARG  11  23.963  15.545   0.782
   73    HD3  ARG  11           2HD      ARG  11  24.027  15.148   2.494
   74   HH11  ARG  11          1HH1      ARG  11  23.315  14.480  -0.933
   75   HH12  ARG  11          2HH1      ARG  11  23.518  12.906  -1.884
   76   HH21  ARG  11          1HH2      ARG  11  24.038  11.196   0.973
   77   HH22  ARG  11          2HH2      ARG  11  23.923  11.168  -0.874
   78    H    CYS  12           H        CYS  12  18.045  17.189   3.515
   79    HA   CYS  12           HA       CYS  12  18.406  19.858   4.809
   80    HB2  CYS  12           1HB      CYS  12  16.307  17.637   5.252
   81    HB3  CYS  12           2HB      CYS  12  16.258  19.234   6.002
   82    HXT  CYS  12           HO        OH  13  19.843  19.217   7.831
  Start of MODEL    2
    1    H1   GLY   1           1H       GLY   1  10.284  12.944  -1.543
    2    H2   GLY   1           2H       GLY   1  11.892  12.726  -1.724
    3    HA2  GLY   1           1HA      GLY   1  11.144  15.102  -1.403
    4    HA3  GLY   1           2HA      GLY   1  10.731  14.640   0.241
    5    H    CYS   2           H        CYS   2  12.211  15.724   1.384
    6    HA   CYS   2           HA       CYS   2  15.066  16.095   0.499
    7    HB2  CYS   2           1HB      CYS   2  13.477  17.886   1.528
    8    HB3  CYS   2           2HB      CYS   2  13.725  17.090   3.088
    9    H    CYS   3           H        CYS   3  15.330  13.682   0.604
   10    HA   CYS   3           HA       CYS   3  15.082  12.217   2.983
   11    HB2  CYS   3           1HB      CYS   3  16.863  11.379   0.618
   12    HB3  CYS   3           2HB      CYS   3  16.090  10.321   1.777
   13    H    SER   4           H        SER   4  16.367  11.116   4.307
   14    HA   SER   4           HA       SER   4  19.238  11.927   4.921
   15    HB2  SER   4           1HB      SER   4  17.316   9.963   6.304
   16    HB3  SER   4           2HB      SER   4  19.003  10.199   6.759
   17    HG   SER   4           HG       SER   4  17.491  11.549   7.953
   18    H    ASP   5           H        ASP   5  17.377   9.284   3.449
   19    HA   ASP   5           HA       ASP   5  19.788   7.605   3.044
   20    HB2  ASP   5           1HB      ASP   5  17.235   6.854   3.214
   21    HB3  ASP   5           2HB      ASP   5  17.127   7.275   1.514
   22    HD2  ASP   5           HD2      ASP   5  19.180   4.627   0.541
   23    H    LYS   6           H        LYS   6  21.151   7.448   1.431
   24    HA   LYS   6           HA       LYS   6  21.710   9.996   0.298
   25    HB2  LYS   6           1HB      LYS   6  23.103   7.310  -0.224
   26    HB3  LYS   6           2HB      LYS   6  23.796   8.860  -0.618
   27    HG2  LYS   6           1HG      LYS   6  23.096   7.983   2.256
   28    HG3  LYS   6           2HG      LYS   6  24.672   7.845   1.521
   29    HD2  LYS   6           1HD      LYS   6  24.948  10.247   1.315
   30    HD3  LYS   6           2HD      LYS   6  23.289  10.603   1.761
   31    HE2  LYS   6           1HE      LYS   6  25.225   9.161   3.707
   32    HE3  LYS   6           2HE      LYS   6  25.156  10.920   3.572
   33    HZ1  LYS   6           2HZ      LYS   6  22.683   9.365   3.966
   34    HZ3  LYS   6           1HZ      LYS   6  22.878  10.948   4.173
   35    H    ARG   7           H        ARG   7  19.853   7.794  -1.416
   36    HA   ARG   7           HA       ARG   7  19.800   9.882  -3.555
   37    HB2  ARG   7           1HB      ARG   7  21.376   7.954  -4.334
   38    HB3  ARG   7           2HB      ARG   7  19.929   6.982  -4.482
   39    HG2  ARG   7           1HG      ARG   7  20.529   7.862  -6.673
   40    HG3  ARG   7           2HG      ARG   7  19.030   8.641  -6.240
   41    HD2  ARG   7           1HD      ARG   7  21.791   9.959  -5.742
   42    HD3  ARG   7           2HD      ARG   7  20.994  10.063  -7.302
   43   HH11  ARG   7          1HH1      ARG   7  22.271  11.857  -5.480
   44   HH12  ARG   7          2HH1      ARG   7  21.814  13.527  -4.843
   45   HH21  ARG   7          1HH2      ARG   7  18.526  12.826  -5.033
   46   HH22  ARG   7          2HH2      ARG   7  19.863  13.982  -4.513
   47    H    CYS   8           H        CYS   8  17.896   9.415  -1.542
   48    HA   CYS   8           HA       CYS   8  16.844  10.940  -3.849
   49    HB2  CYS   8           2HB      CYS   8  14.545  11.297  -2.921
   50    HB3  CYS   8           1HB      CYS   8  14.839   9.650  -3.460
   51    H    ALA   9           H        ALA   9  19.009  11.285  -2.002
   52    HA   ALA   9           HA       ALA   9  18.198  13.231   0.066
   53    HB1  ALA   9           3HB      ALA   9  20.948  12.164  -0.781
   54    HB2  ALA   9           1HB      ALA   9  20.614  13.134   0.668
   55    HB3  ALA   9           2HB      ALA   9  19.879  11.550   0.513
   56    H    TRP  10           H        TRP  10  17.278  14.851  -1.175
   57    HA   TRP  10           HA       TRP  10  19.255  17.148  -1.600
   58    HB2  TRP  10           1HB      TRP  10  16.929  17.152  -2.691
   59    HB3  TRP  10           2HB      TRP  10  16.210  17.247  -1.106
   60    HD1  TRP  10           HD1      TRP  10  16.825  19.614   0.363
   61    HE1  TRP  10           HE1      TRP  10  17.092  22.120  -0.480
   62    HE3  TRP  10           HE3      TRP  10  17.822  18.484  -4.509
   63    HZ2  TRP  10           HZ2      TRP  10  17.575  23.257  -3.021
   64    HZ3  TRP  10           HZ3      TRP  10  18.137  20.332  -6.120
   65    HH2  TRP  10           HH2      TRP  10  18.017  22.687  -5.387
   66    H    ARG  11           H        ARG  11  20.347  17.673   0.177
   67    HA   ARG  11           HA       ARG  11  19.818  16.052   2.553
   68    HB2  ARG  11           1HB      ARG  11  22.198  17.674   1.533
   69    HB3  ARG  11           2HB      ARG  11  22.228  16.933   3.112
   70    HG2  ARG  11           1HG      ARG  11  21.765  14.672   2.207
   71    HG3  ARG  11           2HG      ARG  11  21.533  15.311   0.582
   72    HD2  ARG  11           1HD      ARG  11  23.946  16.019   0.465
   73    HD3  ARG  11           2HD      ARG  11  24.185  15.484   2.129
   74   HH11  ARG  11          1HH1      ARG  11  23.105  15.071  -1.267
   75   HH12  ARG  11          2HH1      ARG  11  23.183  13.587  -2.354
   76   HH21  ARG  11          1HH2      ARG  11  24.182  11.671   0.243
   77   HH22  ARG  11          2HH2      ARG  11  23.782  11.770  -1.562
   78    H    CYS  12           H        CYS  12  17.980  17.044   3.456
   79    HA   CYS  12           HA       CYS  12  18.316  19.385   5.318
   80    HB2  CYS  12           1HB      CYS  12  16.201  17.111   5.184
   81    HB3  CYS  12           2HB      CYS  12  16.117  18.512   6.253
   82    HXT  CYS  12           HO        OH  13  18.834  17.881   8.420
  Start of MODEL    3
    1    H1   GLY   1           1H       GLY   1  12.252  12.710  -2.167
    2    H2   GLY   1           2H       GLY   1  12.154  11.971  -0.710
    3    HA2  GLY   1           1HA      GLY   1  11.187  14.741  -1.286
    4    HA3  GLY   1           2HA      GLY   1  11.065  13.944   0.276
    5    H    CYS   2           H        CYS   2  12.304  15.424   1.365
    6    HA   CYS   2           HA       CYS   2  15.143  16.061   0.512
    7    HB2  CYS   2           1HB      CYS   2  13.390  17.744   1.425
    8    HB3  CYS   2           2HB      CYS   2  13.635  17.017   3.020
    9    H    CYS   3           H        CYS   3  15.597  13.697   0.661
   10    HA   CYS   3           HA       CYS   3  15.298  12.256   3.086
   11    HB2  CYS   3           1HB      CYS   3  17.001  11.460   0.644
   12    HB3  CYS   3           2HB      CYS   3  16.358  10.370   1.836
   13    H    SER   4           H        SER   4  16.578  11.111   4.359
   14    HA   SER   4           HA       SER   4  19.534  11.788   4.813
   15    HB2  SER   4           1HB      SER   4  17.585  10.052   6.442
   16    HB3  SER   4           2HB      SER   4  19.304  10.240   6.779
   17    HG   SER   4           HG       SER   4  17.812  11.752   7.930
   18    H    ASP   5           H        ASP   5  17.406   9.226   3.581
   19    HA   ASP   5           HA       ASP   5  19.645   7.346   2.998
   20    HB2  ASP   5           1HB      ASP   5  17.159   6.680   3.299
   21    HB3  ASP   5           2HB      ASP   5  16.812   7.429   1.750
   22    HD2  ASP   5           HD2      ASP   5  18.075   4.786  -0.032
   23    H    LYS   6           H        LYS   6  21.043   7.432   1.464
   24    HA   LYS   6           HA       LYS   6  21.469   9.974   0.363
   25    HB2  LYS   6           1HB      LYS   6  23.019   7.435  -0.340
   26    HB3  LYS   6           2HB      LYS   6  23.582   9.068  -0.606
   27    HG2  LYS   6           1HG      LYS   6  23.103   7.754   2.125
   28    HG3  LYS   6           2HG      LYS   6  24.646   8.135   1.383
   29    HD2  LYS   6           1HD      LYS   6  24.066  10.611   1.515
   30    HD3  LYS   6           2HD      LYS   6  22.556  10.235   2.312
   31    HE2  LYS   6           1HE      LYS   6  25.346   9.476   3.433
   32    HE3  LYS   6           2HE      LYS   6  24.470  10.960   3.813
   33    HZ1  LYS   6           2HZ      LYS   6  23.440   8.218   4.316
   34    HZ3  LYS   6           1HZ      LYS   6  22.579   9.545   4.571
   35    H    ARG   7           H        ARG   7  19.798   7.647  -1.544
   36    HA   ARG   7           HA       ARG   7  19.780   9.811  -3.695
   37    HB2  ARG   7           1HB      ARG   7  21.227   7.709  -4.243
   38    HB3  ARG   7           2HB      ARG   7  19.706   6.868  -4.459
   39    HG2  ARG   7           1HG      ARG   7  20.612   7.619  -6.612
   40    HG3  ARG   7           2HG      ARG   7  19.097   8.422  -6.348
   41    HD2  ARG   7           1HD      ARG   7  21.794   9.773  -5.601
   42    HD3  ARG   7           2HD      ARG   7  21.253   9.749  -7.262
   43   HH11  ARG   7          1HH1      ARG   7  22.118  11.556  -4.916
   44   HH12  ARG   7          2HH1      ARG   7  21.533  13.234  -4.438
   45   HH21  ARG   7          1HH2      ARG   7  18.458  12.665  -5.712
   46   HH22  ARG   7          2HH2      ARG   7  19.588  13.795  -4.797
   47    H    CYS   8           H        CYS   8  17.844   9.455  -1.651
   48    HA   CYS   8           HA       CYS   8  16.637  11.080  -3.861
   49    HB2  CYS   8           2HB      CYS   8  14.436  11.373  -2.670
   50    HB3  CYS   8           1HB      CYS   8  14.691   9.761  -3.314
   51    H    ALA   9           H        ALA   9  18.960  11.405  -2.150
   52    HA   ALA   9           HA       ALA   9  18.164  13.286   0.023
   53    HB1  ALA   9           3HB      ALA   9  20.914  12.192  -0.754
   54    HB2  ALA   9           1HB      ALA   9  20.460  12.998   0.763
   55    HB3  ALA   9           2HB      ALA   9  19.742  11.454   0.373
   56    H    TRP  10           H        TRP  10  17.278  14.897  -1.301
   57    HA   TRP  10           HA       TRP  10  19.255  17.207  -1.612
   58    HB2  TRP  10           1HB      TRP  10  16.982  17.323  -2.714
   59    HB3  TRP  10           2HB      TRP  10  16.201  17.251  -1.156
   60    HD1  TRP  10           HD1      TRP  10  17.402  19.447   0.642
   61    HE1  TRP  10           HE1      TRP  10  17.121  22.015   0.119
   62    HE3  TRP  10           HE3      TRP  10  16.696  18.971  -4.387
   63    HZ2  TRP  10           HZ2      TRP  10  16.762  23.495  -2.256
   64    HZ3  TRP  10           HZ3      TRP  10  16.287  21.005  -5.729
   65    HH2  TRP  10           HH2      TRP  10  16.288  23.235  -4.672
   66    H    ARG  11           H        ARG  11  20.463  17.329   0.205
   67    HA   ARG  11           HA       ARG  11  19.683  15.823   2.585
   68    HB2  ARG  11           1HB      ARG  11  22.212  17.341   1.785
   69    HB3  ARG  11           2HB      ARG  11  22.098  16.467   3.288
   70    HG2  ARG  11           1HG      ARG  11  21.771  14.304   2.221
   71    HG3  ARG  11           2HG      ARG  11  21.430  15.024   0.652
   72    HD2  ARG  11           1HD      ARG  11  23.768  15.837   0.414
   73    HD3  ARG  11           2HD      ARG  11  24.144  15.268   2.035
   74   HH11  ARG  11          1HH1      ARG  11  22.729  14.772  -1.267
   75   HH12  ARG  11          2HH1      ARG  11  23.100  13.410  -2.448
   76   HH21  ARG  11          1HH2      ARG  11  24.647  11.618  -0.059
   77   HH22  ARG  11          2HH2      ARG  11  24.112  11.757  -1.826
   78    H    CYS  12           H        CYS  12  17.953  16.881   3.561
   79    HA   CYS  12           HA       CYS  12  18.138  19.528   4.848
   80    HB2  CYS  12           1HB      CYS  12  16.174  17.171   5.159
   81    HB3  CYS  12           2HB      CYS  12  16.068  18.607   6.176
   82    HXT  CYS  12           HO        OH  13  19.659  19.201   7.833
  Start of MODEL    4
    1    H1   GLY   1           1H       GLY   1   9.517  13.304   1.675
    2    H2   GLY   1           2H       GLY   1  10.915  12.524   1.354
    3    HA2  GLY   1           1HA      GLY   1  10.401  14.075  -0.444
    4    HA3  GLY   1           2HA      GLY   1  10.313  15.390   0.709
    5    H    CYS   2           H        CYS   2  12.262  16.063   1.715
    6    HA   CYS   2           HA       CYS   2  14.790  15.825   0.087
    7    HB2  CYS   2           1HB      CYS   2  13.825  17.971   0.915
    8    HB3  CYS   2           2HB      CYS   2  13.951  17.431   2.602
    9    H    CYS   3           H        CYS   3  15.403  13.654   0.404
   10    HA   CYS   3           HA       CYS   3  15.057  12.226   2.784
   11    HB2  CYS   3           1HB      CYS   3  16.984  11.446   0.499
   12    HB3  CYS   3           2HB      CYS   3  16.215  10.365   1.624
   13    H    SER   4           H        SER   4  16.168  11.521   4.517
   14    HA   SER   4           HA       SER   4  19.144  11.625   4.908
   15    HB2  SER   4           1HB      SER   4  17.016   9.707   6.052
   16    HB3  SER   4           2HB      SER   4  18.698   9.746   6.559
   17    HG   SER   4           HG       SER   4  18.389  11.528   7.661
   18    H    ASP   5           H        ASP   5  17.018   9.350   3.185
   19    HA   ASP   5           HA       ASP   5  19.050   7.296   2.649
   20    HB2  ASP   5           1HB      ASP   5  16.624   6.868   2.541
   21    HB3  ASP   5           2HB      ASP   5  16.419   8.045   1.253
   22    HD2  ASP   5           HD2      ASP   5  16.825   5.705  -1.116
   23    H    LYS   6           H        LYS   6  20.884   7.760   1.763
   24    HA   LYS   6           HA       LYS   6  21.559  10.147   0.570
   25    HB2  LYS   6           1HB      LYS   6  23.165   7.560   0.252
   26    HB3  LYS   6           2HB      LYS   6  23.804   9.171   0.063
   27    HG2  LYS   6           1HG      LYS   6  22.830   7.906   2.678
   28    HG3  LYS   6           2HG      LYS   6  24.472   8.318   2.231
   29    HD2  LYS   6           1HD      LYS   6  23.841  10.782   2.209
   30    HD3  LYS   6           2HD      LYS   6  22.212  10.386   2.720
   31    HE2  LYS   6           1HE      LYS   6  24.767   9.738   4.341
   32    HE3  LYS   6           2HE      LYS   6  23.762  11.176   4.551
   33    HZ1  LYS   6           2HZ      LYS   6  21.854   9.559   4.895
   34    HZ3  LYS   6           1HZ      LYS   6  22.928   8.357   4.973
   35    H    ARG   7           H        ARG   7  20.258   7.757  -1.472
   36    HA   ARG   7           HA       ARG   7  20.427   9.899  -3.599
   37    HB2  ARG   7           1HB      ARG   7  22.051   7.899  -4.112
   38    HB3  ARG   7           2HB      ARG   7  20.605   6.978  -4.459
   39    HG2  ARG   7           1HG      ARG   7  21.500   7.817  -6.551
   40    HG3  ARG   7           2HG      ARG   7  20.008   8.670  -6.322
   41    HD2  ARG   7           1HD      ARG   7  22.732   9.882  -5.483
   42    HD3  ARG   7           2HD      ARG   7  22.159   9.968  -7.139
   43   HH11  ARG   7          1HH1      ARG   7  23.228  11.792  -5.199
   44   HH12  ARG   7          2HH1      ARG   7  22.731  13.426  -4.510
   45   HH21  ARG   7          1HH2      ARG   7  19.463  12.754  -5.092
   46   HH22  ARG   7          2HH2      ARG   7  20.732  13.920  -4.431
   47    H    CYS   8           H        CYS   8  18.280   9.335  -1.743
   48    HA   CYS   8           HA       CYS   8  17.010  10.757  -4.080
   49    HB2  CYS   8           2HB      CYS   8  14.766  10.712  -3.191
   50    HB3  CYS   8           1HB      CYS   8  15.306   9.072  -3.485
   51    H    ALA   9           H        ALA   9  19.140  11.351  -2.168
   52    HA   ALA   9           HA       ALA   9  17.971  13.345  -0.251
   53    HB1  ALA   9           3HB      ALA   9  20.737  12.043  -0.479
   54    HB2  ALA   9           1HB      ALA   9  20.215  13.139   0.820
   55    HB3  ALA   9           2HB      ALA   9  19.400  11.604   0.614
   56    H    TRP  10           H        TRP  10  17.467  15.018  -1.713
   57    HA   TRP  10           HA       TRP  10  19.589  17.157  -1.620
   58    HB2  TRP  10           1HB      TRP  10  17.158  17.415  -2.555
   59    HB3  TRP  10           2HB      TRP  10  16.590  17.465  -0.916
   60    HD1  TRP  10           HD1      TRP  10  18.482  19.575   0.536
   61    HE1  TRP  10           HE1      TRP  10  18.890  22.077  -0.278
   62    HE3  TRP  10           HE3      TRP  10  16.898  18.929  -4.299
   63    HZ2  TRP  10           HZ2      TRP  10  18.663  23.350  -2.764
   64    HZ3  TRP  10           HZ3      TRP  10  17.054  20.842  -5.854
   65    HH2  TRP  10           HH2      TRP  10  17.955  23.001  -5.119
   66    H    ARG  11           H        ARG  11  20.739  17.440   0.225
   67    HA   ARG  11           HA       ARG  11  20.044  15.876   2.640
   68    HB2  ARG  11           1HB      ARG  11  22.475  17.483   1.736
   69    HB3  ARG  11           2HB      ARG  11  22.411  16.782   3.328
   70    HG2  ARG  11           1HG      ARG  11  22.520  14.551   2.617
   71    HG3  ARG  11           2HG      ARG  11  21.681  14.836   1.108
   72    HD2  ARG  11           1HD      ARG  11  23.631  15.826   0.016
   73    HD3  ARG  11           2HD      ARG  11  24.512  15.908   1.528
   74   HH11  ARG  11          1HH1      ARG  11  22.574  14.162  -0.959
   75   HH12  ARG  11          2HH1      ARG  11  22.868  12.504  -1.701
   76   HH21  ARG  11          1HH2      ARG  11  25.280  11.793   0.539
   77   HH22  ARG  11          2HH2      ARG  11  24.291  11.270  -0.927
   78    H    CYS  12           H        CYS  12  18.232  16.841   3.520
   79    HA   CYS  12           HA       CYS  12  18.428  19.581   4.785
   80    HB2  CYS  12           1HB      CYS  12  16.124  17.531   4.674
   81    HB3  CYS  12           2HB      CYS  12  16.026  19.108   5.470
   82    HXT  CYS  12           HO        OH  13  18.919  18.963   8.069
  Start of MODEL    5
    1    H1   GLY   1           1H       GLY   1   9.368  13.265   1.414
    2    H2   GLY   1           2H       GLY   1  10.769  12.439   1.249
    3    HA2  GLY   1           1HA      GLY   1  10.476  13.921  -0.672
    4    HA3  GLY   1           2HA      GLY   1  10.291  15.281   0.415
    5    H    CYS   2           H        CYS   2  12.135  15.893   1.676
    6    HA   CYS   2           HA       CYS   2  14.731  15.823   0.139
    7    HB2  CYS   2           1HB      CYS   2  13.664  17.909   1.099
    8    HB3  CYS   2           2HB      CYS   2  13.863  17.260   2.743
    9    H    CYS   3           H        CYS   3  15.226  13.574   0.422
   10    HA   CYS   3           HA       CYS   3  14.927  12.122   2.737
   11    HB2  CYS   3           1HB      CYS   3  16.959  11.416   0.519
   12    HB3  CYS   3           2HB      CYS   3  16.192  10.288   1.613
   13    H    SER   4           H        SER   4  16.033  11.124   4.275
   14    HA   SER   4           HA       SER   4  18.960  11.640   4.951
   15    HB2  SER   4           1HB      SER   4  16.987   9.580   6.118
   16    HB3  SER   4           2HB      SER   4  18.652   9.827   6.635
   17    HG   SER   4           HG       SER   4  16.433  11.589   6.907
   18    H    ASP   5           H        ASP   5  17.024   9.199   3.266
   19    HA   ASP   5           HA       ASP   5  19.219   7.292   2.714
   20    HB2  ASP   5           1HB      ASP   5  16.823   6.645   2.634
   21    HB3  ASP   5           2HB      ASP   5  16.493   7.819   1.370
   22    HD2  ASP   5           HD2      ASP   5  17.052   5.618  -1.106
   23    H    LYS   6           H        LYS   6  20.925   7.620   1.598
   24    HA   LYS   6           HA       LYS   6  21.528  10.213   0.677
   25    HB2  LYS   6           1HB      LYS   6  23.142   7.640   0.213
   26    HB3  LYS   6           2HB      LYS   6  23.785   9.248   0.031
   27    HG2  LYS   6           1HG      LYS   6  22.823   7.993   2.669
   28    HG3  LYS   6           2HG      LYS   6  24.482   8.283   2.182
   29    HD2  LYS   6           1HD      LYS   6  24.037  10.788   2.161
   30    HD3  LYS   6           2HD      LYS   6  22.387  10.522   2.680
   31    HE2  LYS   6           1HE      LYS   6  24.874   9.704   4.329
   32    HE3  LYS   6           2HE      LYS   6  23.988  11.224   4.494
   33    HZ1  LYS   6           2HZ      LYS   6  21.935   9.715   4.774
   34    HZ3  LYS   6           1HZ      LYS   6  22.961   8.487   5.009
   35    H    ARG   7           H        ARG   7  20.420   7.778  -1.572
   36    HA   ARG   7           HA       ARG   7  20.376  10.112  -3.534
   37    HB2  ARG   7           1HB      ARG   7  22.199   8.379  -4.090
   38    HB3  ARG   7           2HB      ARG   7  20.910   7.257  -4.458
   39    HG2  ARG   7           1HG      ARG   7  21.776   8.258  -6.507
   40    HG3  ARG   7           2HG      ARG   7  20.126   8.779  -6.355
   41    HD2  ARG   7           1HD      ARG   7  22.539  10.528  -5.473
   42    HD3  ARG   7           2HD      ARG   7  21.975  10.491  -7.121
   43   HH11  ARG   7          1HH1      ARG   7  22.455  12.085  -4.370
   44   HH12  ARG   7          2HH1      ARG   7  21.554  13.532  -3.664
   45   HH21  ARG   7          1HH2      ARG   7  18.824  12.961  -5.537
   46   HH22  ARG   7          2HH2      ARG   7  19.692  13.970  -4.264
   47    H    CYS   8           H        CYS   8  18.243   9.301  -1.772
   48    HA   CYS   8           HA       CYS   8  17.012  10.786  -4.089
   49    HB2  CYS   8           2HB      CYS   8  14.749  10.788  -3.172
   50    HB3  CYS   8           1HB      CYS   8  15.272   9.149  -3.550
   51    H    ALA   9           H        ALA   9  19.098  11.271  -1.911
   52    HA   ALA   9           HA       ALA   9  17.901  13.408  -0.235
   53    HB1  ALA   9           3HB      ALA   9  20.774  12.326  -0.364
   54    HB2  ALA   9           1HB      ALA   9  20.075  13.361   0.902
   55    HB3  ALA   9           2HB      ALA   9  19.453  11.735   0.681
   56    H    TRP  10           H        TRP  10  17.399  15.130  -1.426
   57    HA   TRP  10           HA       TRP  10  19.684  17.130  -1.612
   58    HB2  TRP  10           1HB      TRP  10  17.400  17.682  -2.583
   59    HB3  TRP  10           2HB      TRP  10  16.685  17.555  -0.999
   60    HD1  TRP  10           HD1      TRP  10  17.906  19.457   0.944
   61    HE1  TRP  10           HE1      TRP  10  18.348  22.046   0.603
   62    HE3  TRP  10           HE3      TRP  10  18.105  19.352  -4.160
   63    HZ2  TRP  10           HZ2      TRP  10  18.681  23.665  -1.685
   64    HZ3  TRP  10           HZ3      TRP  10  18.508  21.467  -5.378
   65    HH2  TRP  10           HH2      TRP  10  18.803  23.589  -4.165
   66    H    ARG  11           H        ARG  11  20.863  17.361   0.203
   67    HA   ARG  11           HA       ARG  11  20.165  15.806   2.626
   68    HB2  ARG  11           1HB      ARG  11  22.624  17.378   1.709
   69    HB3  ARG  11           2HB      ARG  11  22.555  16.674   3.304
   70    HG2  ARG  11           1HG      ARG  11  22.394  14.401   2.535
   71    HG3  ARG  11           2HG      ARG  11  21.883  14.859   0.919
   72    HD2  ARG  11           1HD      ARG  11  24.110  15.787   0.356
   73    HD3  ARG  11           2HD      ARG  11  24.672  15.550   2.002
   74   HH11  ARG  11          1HH1      ARG  11  22.956  14.375  -0.973
   75   HH12  ARG  11          2HH1      ARG  11  23.230  12.813  -1.910
   76   HH21  ARG  11          1HH2      ARG  11  25.217  11.581   0.520
   77   HH22  ARG  11          2HH2      ARG  11  24.415  11.352  -1.134
   78    H    CYS  12           H        CYS  12  18.350  16.855   3.443
   79    HA   CYS  12           HA       CYS  12  18.503  19.589   4.671
   80    HB2  CYS  12           1HB      CYS  12  16.370  17.351   4.758
   81    HB3  CYS  12           2HB      CYS  12  16.208  18.901   5.584
   82    HXT  CYS  12           HO        OH  13  19.694  19.007   7.771
  Start of MODEL    6
    1    H1   GLY   1           1H       GLY   1  11.907  11.973   0.340
    2    H2   GLY   1           2H       GLY   1  11.145  12.963   1.393
    3    HA2  GLY   1           1HA      GLY   1  11.548  13.588  -1.500
    4    HA3  GLY   1           2HA      GLY   1  10.811  14.682  -0.347
    5    H    CYS   2           H        CYS   2  12.205  15.420   1.434
    6    HA   CYS   2           HA       CYS   2  15.097  15.919   0.587
    7    HB2  CYS   2           1HB      CYS   2  13.491  17.751   1.551
    8    HB3  CYS   2           2HB      CYS   2  13.705  16.969   3.125
    9    H    CYS   3           H        CYS   3  15.643  13.706   0.713
   10    HA   CYS   3           HA       CYS   3  15.017  12.042   2.933
   11    HB2  CYS   3           1HB      CYS   3  16.965  11.438   0.638
   12    HB3  CYS   3           2HB      CYS   3  16.172  10.265   1.666
   13    H    SER   4           H        SER   4  16.053  10.989   4.445
   14    HA   SER   4           HA       SER   4  18.984  11.320   5.184
   15    HB2  SER   4           1HB      SER   4  16.831   9.336   6.162
   16    HB3  SER   4           2HB      SER   4  18.524   9.277   6.636
   17    HG   SER   4           HG       SER   4  16.662  11.379   7.135
   18    H    ASP   5           H        ASP   5  16.980   9.118   3.217
   19    HA   ASP   5           HA       ASP   5  19.216   7.244   2.666
   20    HB2  ASP   5           1HB      ASP   5  16.656   6.727   2.530
   21    HB3  ASP   5           2HB      ASP   5  16.647   7.565   0.985
   22    HD2  ASP   5           HD2      ASP   5  18.288   3.922   1.507
   23    H    LYS   6           H        LYS   6  20.899   7.623   1.500
   24    HA   LYS   6           HA       LYS   6  21.296  10.241   0.427
   25    HB2  LYS   6           1HB      LYS   6  23.195   7.865   0.238
   26    HB3  LYS   6           2HB      LYS   6  23.635   9.527  -0.051
   27    HG2  LYS   6           1HG      LYS   6  22.753   8.321   2.628
   28    HG3  LYS   6           2HG      LYS   6  24.355   8.855   2.174
   29    HD2  LYS   6           1HD      LYS   6  23.472  11.256   1.985
   30    HD3  LYS   6           2HD      LYS   6  21.901  10.717   2.539
   31    HE2  LYS   6           1HE      LYS   6  24.517  10.467   4.176
   32    HE3  LYS   6           2HE      LYS   6  23.328  11.764   4.345
   33    HZ1  LYS   6           2HZ      LYS   6  21.653   9.916   4.715
   34    HZ3  LYS   6           1HZ      LYS   6  22.882   8.869   4.834
   35    H    ARG   7           H        ARG   7  19.908   7.997  -1.490
   36    HA   ARG   7           HA       ARG   7  20.061  10.104  -3.578
   37    HB2  ARG   7           1HB      ARG   7  21.772   8.307  -4.257
   38    HB3  ARG   7           2HB      ARG   7  20.417   7.246  -4.574
   39    HG2  ARG   7           1HG      ARG   7  21.259   8.276  -6.637
   40    HG3  ARG   7           2HG      ARG   7  19.607   8.775  -6.414
   41    HD2  ARG   7           1HD      ARG   7  22.023  10.538  -5.601
   42    HD3  ARG   7           2HD      ARG   7  21.380  10.512  -7.224
   43   HH11  ARG   7          1HH1      ARG   7  21.945  12.033  -4.417
   44   HH12  ARG   7          2HH1      ARG   7  21.094  13.506  -3.707
   45   HH21  ARG   7          1HH2      ARG   7  18.336  12.983  -5.551
   46   HH22  ARG   7          2HH2      ARG   7  19.236  13.993  -4.295
   47    H    CYS   8           H        CYS   8  17.963   9.388  -1.754
   48    HA   CYS   8           HA       CYS   8  16.862  11.023  -4.023
   49    HB2  CYS   8           2HB      CYS   8  14.624  11.269  -2.997
   50    HB3  CYS   8           1HB      CYS   8  14.943   9.628  -3.542
   51    H    ALA   9           H        ALA   9  18.978  11.235  -1.776
   52    HA   ALA   9           HA       ALA   9  17.999  13.388  -0.023
   53    HB1  ALA   9           3HB      ALA   9  20.838  12.297  -0.398
   54    HB2  ALA   9           1HB      ALA   9  20.249  13.306   0.943
   55    HB3  ALA   9           2HB      ALA   9  19.584  11.693   0.735
   56    H    TRP  10           H        TRP  10  17.328  14.993  -1.314
   57    HA   TRP  10           HA       TRP  10  19.430  17.162  -1.652
   58    HB2  TRP  10           1HB      TRP  10  17.063  17.417  -2.607
   59    HB3  TRP  10           2HB      TRP  10  16.411  17.399  -0.988
   60    HD1  TRP  10           HD1      TRP  10  17.645  19.531   0.711
   61    HE1  TRP  10           HE1      TRP  10  18.018  22.085   0.095
   62    HE3  TRP  10           HE3      TRP  10  17.422  18.955  -4.365
   63    HZ2  TRP  10           HZ2      TRP  10  18.259  23.464  -2.364
   64    HZ3  TRP  10           HZ3      TRP  10  17.723  20.938  -5.799
   65    HH2  TRP  10           HH2      TRP  10  18.154  23.159  -4.823
   66    H    ARG  11           H        ARG  11  20.683  17.257   0.122
   67    HA   ARG  11           HA       ARG  11  19.987  16.038   2.648
   68    HB2  ARG  11           1HB      ARG  11  22.423  17.590   1.652
   69    HB3  ARG  11           2HB      ARG  11  22.363  16.969   3.277
   70    HG2  ARG  11           1HG      ARG  11  22.164  14.633   2.577
   71    HG3  ARG  11           2HG      ARG  11  21.779  15.078   0.920
   72    HD2  ARG  11           1HD      ARG  11  24.069  16.080   0.613
   73    HD3  ARG  11           2HD      ARG  11  24.485  15.648   2.261
   74   HH11  ARG  11          1HH1      ARG  11  22.919  14.856  -0.911
   75   HH12  ARG  11          2HH1      ARG  11  23.215  13.411  -2.018
   76   HH21  ARG  11          1HH2      ARG  11  25.112  11.867   0.292
   77   HH22  ARG  11          2HH2      ARG  11  24.367  11.877  -1.402
   78    H    CYS  12           H        CYS  12  18.465  16.869   3.889
   79    HA   CYS  12           HA       CYS  12  18.287  19.782   4.683
   80    HB2  CYS  12           1HB      CYS  12  16.604  17.273   5.252
   81    HB3  CYS  12           2HB      CYS  12  16.373  18.765   6.164
   82    HXT  CYS  12           HO        OH  13  20.034  19.840   7.577
  Start of MODEL    7
    1    H1   GLY   1           1H       GLY   1   9.749  12.982   0.367
    2    H2   GLY   1           2H       GLY   1  11.184  12.307   0.002
    3    HA2  GLY   1           1HA      GLY   1  11.034  14.352  -1.219
    4    HA3  GLY   1           2HA      GLY   1  10.579  15.221   0.231
    5    H    CYS   2           H        CYS   2  12.170  15.579   1.831
    6    HA   CYS   2           HA       CYS   2  14.961  16.005   0.675
    7    HB2  CYS   2           1HB      CYS   2  13.446  17.784   1.880
    8    HB3  CYS   2           2HB      CYS   2  13.879  16.966   3.393
    9    H    CYS   3           H        CYS   3  15.254  13.598   0.689
   10    HA   CYS   3           HA       CYS   3  14.940  11.978   2.935
   11    HB2  CYS   3           1HB      CYS   3  16.923  11.325   0.658
   12    HB3  CYS   3           2HB      CYS   3  16.084  10.188   1.678
   13    H    SER   4           H        SER   4  16.127  10.848   4.355
   14    HA   SER   4           HA       SER   4  19.098  11.337   4.878
   15    HB2  SER   4           1HB      SER   4  17.108   9.386   6.195
   16    HB3  SER   4           2HB      SER   4  18.832   9.422   6.530
   17    HG   SER   4           HG       SER   4  17.014  11.618   6.906
   18    H    ASP   5           H        ASP   5  16.962   9.006   3.229
   19    HA   ASP   5           HA       ASP   5  19.037   7.059   2.522
   20    HB2  ASP   5           1HB      ASP   5  16.522   6.660   2.376
   21    HB3  ASP   5           2HB      ASP   5  16.435   7.757   1.005
   22    HD2  ASP   5           HD2      ASP   5  18.031   4.082   0.624
   23    H    LYS   6           H        LYS   6  20.782   7.415   1.485
   24    HA   LYS   6           HA       LYS   6  21.533   9.956   0.663
   25    HB2  LYS   6           1HB      LYS   6  22.885   7.284   0.012
   26    HB3  LYS   6           2HB      LYS   6  23.677   8.813  -0.266
   27    HG2  LYS   6           1HG      LYS   6  22.678   7.940   2.524
   28    HG3  LYS   6           2HG      LYS   6  24.297   7.648   1.921
   29    HD2  LYS   6           1HD      LYS   6  24.795  10.020   1.721
   30    HD3  LYS   6           2HD      LYS   6  23.144  10.516   2.072
   31    HE2  LYS   6           1HE      LYS   6  24.842   8.922   4.104
   32    HE3  LYS   6           2HE      LYS   6  24.936  10.675   3.970
   33    HZ1  LYS   6           2HZ      LYS   6  22.273   9.402   4.235
   34    HZ3  LYS   6           1HZ      LYS   6  23.195   9.579   5.563
   35    H    ARG   7           H        ARG   7  20.297   7.721  -1.698
   36    HA   ARG   7           HA       ARG   7  20.382  10.069  -3.649
   37    HB2  ARG   7           1HB      ARG   7  22.128   8.270  -4.176
   38    HB3  ARG   7           2HB      ARG   7  20.808   7.199  -4.588
   39    HG2  ARG   7           1HG      ARG   7  21.902   8.272  -6.549
   40    HG3  ARG   7           2HG      ARG   7  20.205   8.607  -6.538
   41    HD2  ARG   7           1HD      ARG   7  22.323  10.597  -5.441
   42    HD3  ARG   7           2HD      ARG   7  21.967  10.499  -7.141
   43   HH11  ARG   7          1HH1      ARG   7  22.023  12.228  -4.502
   44   HH12  ARG   7          2HH1      ARG   7  20.956  13.634  -3.974
   45   HH21  ARG   7          1HH2      ARG   7  18.414  12.620  -5.935
   46   HH22  ARG   7          2HH2      ARG   7  19.089  13.863  -4.754
   47    H    CYS   8           H        CYS   8  18.203   9.187  -1.867
   48    HA   CYS   8           HA       CYS   8  17.052  10.953  -4.017
   49    HB2  CYS   8           2HB      CYS   8  14.804  10.942  -3.146
   50    HB3  CYS   8           1HB      CYS   8  15.252   9.300  -3.585
   51    H    ALA   9           H        ALA   9  19.146  11.116  -1.729
   52    HA   ALA   9           HA       ALA   9  18.029  13.201   0.051
   53    HB1  ALA   9           3HB      ALA   9  20.901  12.148  -0.136
   54    HB2  ALA   9           1HB      ALA   9  20.163  13.056   1.193
   55    HB3  ALA   9           2HB      ALA   9  19.577  11.441   0.839
   56    H    TRP  10           H        TRP  10  17.439  14.769  -1.424
   57    HA   TRP  10           HA       TRP  10  19.453  17.029  -1.725
   58    HB2  TRP  10           1HB      TRP  10  17.285  17.080  -2.958
   59    HB3  TRP  10           2HB      TRP  10  16.373  16.862  -1.485
   60    HD1  TRP  10           HD1      TRP  10  15.352  19.010  -0.509
   61    HE1  TRP  10           HE1      TRP  10  15.565  21.632  -0.884
   62    HE3  TRP  10           HE3      TRP  10  19.548  18.858  -3.411
   63    HZ2  TRP  10           HZ2      TRP  10  17.430  23.246  -2.260
   64    HZ3  TRP  10           HZ3      TRP  10  20.524  20.994  -4.208
   65    HH2  TRP  10           HH2      TRP  10  19.479  23.147  -3.655
   66    H    ARG  11           H        ARG  11  20.603  17.221   0.147
   67    HA   ARG  11           HA       ARG  11  19.619  16.089   2.646
   68    HB2  ARG  11           1HB      ARG  11  22.283  17.376   1.866
   69    HB3  ARG  11           2HB      ARG  11  21.987  16.724   3.462
   70    HG2  ARG  11           1HG      ARG  11  21.482  14.449   2.558
   71    HG3  ARG  11           2HG      ARG  11  21.605  15.039   0.907
   72    HD2  ARG  11           1HD      ARG  11  24.074  15.652   1.364
   73    HD3  ARG  11           2HD      ARG  11  23.902  14.930   2.956
   74   HH11  ARG  11          1HH1      ARG  11  23.426  14.987  -0.586
   75   HH12  ARG  11          2HH1      ARG  11  23.731  13.669  -1.846
   76   HH21  ARG  11          1HH2      ARG  11  24.225  11.372   0.565
   77   HH22  ARG  11          2HH2      ARG  11  24.154  11.777  -1.241
   78    H    CYS  12           H        CYS  12  18.226  17.063   3.920
   79    HA   CYS  12           HA       CYS  12  18.363  20.009   4.661
   80    HB2  CYS  12           1HB      CYS  12  16.398  17.748   5.409
   81    HB3  CYS  12           2HB      CYS  12  16.335  19.376   6.090
   82    HXT  CYS  12           HO        OH  13  19.822  19.896   7.717
  Start of MODEL    8
    1    H1   GLY   1           1H       GLY   1   9.183  13.266   0.124
    2    H2   GLY   1           2H       GLY   1  10.584  12.447  -0.073
    3    HA2  GLY   1           1HA      GLY   1  10.643  14.591  -1.272
    4    HA3  GLY   1           2HA      GLY   1  10.323  15.418   0.237
    5    H    CYS   2           H        CYS   2  12.021  15.701   1.677
    6    HA   CYS   2           HA       CYS   2  14.813  15.526   0.506
    7    HB2  CYS   2           1HB      CYS   2  13.850  17.650   1.525
    8    HB3  CYS   2           2HB      CYS   2  13.910  16.873   3.121
    9    H    CYS   3           H        CYS   3  15.164  13.255   0.635
   10    HA   CYS   3           HA       CYS   3  14.674  11.624   2.911
   11    HB2  CYS   3           1HB      CYS   3  16.764  11.087   0.696
   12    HB3  CYS   3           2HB      CYS   3  15.966   9.888   1.693
   13    H    SER   4           H        SER   4  15.822  10.736   4.573
   14    HA   SER   4           HA       SER   4  18.691  11.251   5.246
   15    HB2  SER   4           1HB      SER   4  16.946   8.801   5.920
   16    HB3  SER   4           2HB      SER   4  18.498   9.189   6.639
   17    HG   SER   4           HG       SER   4  16.078  10.063   7.356
   18    H    ASP   5           H        ASP   5  17.032   8.796   3.263
   19    HA   ASP   5           HA       ASP   5  19.283   7.125   2.590
   20    HB2  ASP   5           1HB      ASP   5  16.817   6.607   2.249
   21    HB3  ASP   5           2HB      ASP   5  16.755   7.768   0.931
   22    HD2  ASP   5           HD2      ASP   5  18.148   4.091   0.387
   23    H    LYS   6           H        LYS   6  21.036   7.430   1.537
   24    HA   LYS   6           HA       LYS   6  21.824   9.967   0.481
   25    HB2  LYS   6           1HB      LYS   6  23.212   7.253   0.101
   26    HB3  LYS   6           2HB      LYS   6  23.994   8.798  -0.102
   27    HG2  LYS   6           1HG      LYS   6  22.957   7.612   2.534
   28    HG3  LYS   6           2HG      LYS   6  24.625   7.723   2.031
   29    HD2  LYS   6           1HD      LYS   6  24.629  10.174   2.184
   30    HD3  LYS   6           2HD      LYS   6  22.890  10.244   2.445
   31    HE2  LYS   6           1HE      LYS   6  24.875   8.881   4.405
   32    HE3  LYS   6           2HE      LYS   6  24.362  10.556   4.543
   33    HZ1  LYS   6           2HZ      LYS   6  21.974   9.597   4.481
   34    HZ3  LYS   6           1HZ      LYS   6  22.628   8.149   4.681
   35    H    ARG   7           H        ARG   7  20.068   7.884  -1.459
   36    HA   ARG   7           HA       ARG   7  20.445   9.983  -3.524
   37    HB2  ARG   7           1HB      ARG   7  21.970   7.897  -4.139
   38    HB3  ARG   7           2HB      ARG   7  20.478   7.180  -4.691
   39    HG2  ARG   7           1HG      ARG   7  21.707   8.239  -6.546
   40    HG3  ARG   7           2HG      ARG   7  20.188   9.061  -6.372
   41    HD2  ARG   7           1HD      ARG   7  22.643  10.253  -4.922
   42    HD3  ARG   7           2HD      ARG   7  22.619  10.330  -6.660
   43   HH11  ARG   7          1HH1      ARG   7  22.252  11.637  -3.675
   44   HH12  ARG   7          2HH1      ARG   7  21.397  13.184  -3.148
   45   HH21  ARG   7          1HH2      ARG   7  19.447  13.138  -5.916
   46   HH22  ARG   7          2HH2      ARG   7  19.892  13.978  -4.336
   47    H    CYS   8           H        CYS   8  18.323   9.426  -1.730
   48    HA   CYS   8           HA       CYS   8  17.095  11.108  -3.881
   49    HB2  CYS   8           2HB      CYS   8  14.772  10.936  -3.113
   50    HB3  CYS   8           1HB      CYS   8  15.365   9.379  -3.676
   51    H    ALA   9           H        ALA   9  19.085  11.448  -1.725
   52    HA   ALA   9           HA       ALA   9  17.805  13.382   0.187
   53    HB1  ALA   9           3HB      ALA   9  20.660  12.218  -0.001
   54    HB2  ALA   9           1HB      ALA   9  20.009  13.212   1.325
   55    HB3  ALA   9           2HB      ALA   9  19.310  11.644   1.019
   56    H    TRP  10           H        TRP  10  17.313  15.216  -1.064
   57    HA   TRP  10           HA       TRP  10  19.536  17.068  -1.977
   58    HB2  TRP  10           1HB      TRP  10  17.325  17.181  -3.010
   59    HB3  TRP  10           2HB      TRP  10  16.518  17.322  -1.465
   60    HD1  TRP  10           HD1      TRP  10  15.513  19.582  -1.120
   61    HE1  TRP  10           HE1      TRP  10  15.890  22.089  -1.893
   62    HE3  TRP  10           HE3      TRP  10  19.980  18.819  -3.470
   63    HZ2  TRP  10           HZ2      TRP  10  17.985  23.394  -3.229
   64    HZ3  TRP  10           HZ3      TRP  10  21.125  20.752  -4.495
   65    HH2  TRP  10           HH2      TRP  10  20.164  23.005  -4.372
   66    H    ARG  11           H        ARG  11  20.902  16.941  -0.139
   67    HA   ARG  11           HA       ARG  11  19.916  16.162   2.258
   68    HB2  ARG  11           1HB      ARG  11  22.677  17.343   1.672
   69    HB3  ARG  11           2HB      ARG  11  22.288  16.602   3.215
   70    HG2  ARG  11           1HG      ARG  11  21.632  14.464   2.142
   71    HG3  ARG  11           2HG      ARG  11  21.900  15.119   0.539
   72    HD2  ARG  11           1HD      ARG  11  24.356  15.415   1.016
   73    HD3  ARG  11           2HD      ARG  11  24.117  14.813   2.651
   74   HH11  ARG  11          1HH1      ARG  11  23.866  14.717  -0.898
   75   HH12  ARG  11          2HH1      ARG  11  24.091  13.297  -2.055
   76   HH21  ARG  11          1HH2      ARG  11  24.014  11.106   0.513
   77   HH22  ARG  11          2HH2      ARG  11  24.130  11.366  -1.308
   78    H    CYS  12           H        CYS  12  18.822  16.879   3.849
   79    HA   CYS  12           HA       CYS  12  18.863  19.843   4.689
   80    HB2  CYS  12           1HB      CYS  12  16.690  17.674   5.154
   81    HB3  CYS  12           2HB      CYS  12  16.572  19.396   5.539
   82    HXT  CYS  12           HO        OH  13  19.941  19.181   7.864
  Start of MODEL    9
    1    H1   GLY   1           1H       GLY   1  10.709  13.441   1.299
    2    H2   GLY   1           2H       GLY   1   9.742  13.272  -0.018
    3    HA2  GLY   1           1HA      GLY   1  11.301  14.442  -1.456
    4    HA3  GLY   1           2HA      GLY   1  10.840  15.446  -0.095
    5    H    CYS   2           H        CYS   2  12.423  16.078   1.263
    6    HA   CYS   2           HA       CYS   2  15.242  15.893   0.438
    7    HB2  CYS   2           1HB      CYS   2  13.897  17.887   1.398
    8    HB3  CYS   2           2HB      CYS   2  14.032  17.129   2.997
    9    H    CYS   3           H        CYS   3  15.509  13.571   0.631
   10    HA   CYS   3           HA       CYS   3  15.111  12.069   2.985
   11    HB2  CYS   3           1HB      CYS   3  16.965  11.354   0.619
   12    HB3  CYS   3           2HB      CYS   3  16.243  10.215   1.735
   13    H    SER   4           H        SER   4  16.304  11.000   4.449
   14    HA   SER   4           HA       SER   4  19.270  11.512   4.954
   15    HB2  SER   4           1HB      SER   4  17.417   9.433   6.263
   16    HB3  SER   4           2HB      SER   4  19.074   9.813   6.727
   17    HG   SER   4           HG       SER   4  16.769  11.496   6.891
   18    H    ASP   5           H        ASP   5  17.196   9.104   3.363
   19    HA   ASP   5           HA       ASP   5  19.341   7.185   2.677
   20    HB2  ASP   5           1HB      ASP   5  16.879   6.628   2.608
   21    HB3  ASP   5           2HB      ASP   5  16.650   7.766   1.284
   22    HD2  ASP   5           HD2      ASP   5  18.456   4.245   0.619
   23    H    LYS   6           H        LYS   6  20.946   7.356   1.332
   24    HA   LYS   6           HA       LYS   6  21.772   9.950   0.500
   25    HB2  LYS   6           1HB      LYS   6  22.883   7.244  -0.424
   26    HB3  LYS   6           2HB      LYS   6  23.711   8.759  -0.662
   27    HG2  LYS   6           1HG      LYS   6  23.049   7.562   2.106
   28    HG3  LYS   6           2HG      LYS   6  24.578   7.403   1.275
   29    HD2  LYS   6           1HD      LYS   6  24.955   9.850   1.330
   30    HD3  LYS   6           2HD      LYS   6  23.394  10.141   2.086
   31    HE2  LYS   6           1HE      LYS   6  25.608   8.414   3.389
   32    HE3  LYS   6           2HE      LYS   6  25.487  10.163   3.599
   33    HZ1  LYS   6           2HZ      LYS   6  23.283   9.921   4.540
   34    HZ3  LYS   6           1HZ      LYS   6  23.240   8.319   4.264
   35    H    ARG   7           H        ARG   7  20.419   7.545  -1.790
   36    HA   ARG   7           HA       ARG   7  20.051   9.926  -3.701
   37    HB2  ARG   7           1HB      ARG   7  21.721   8.036  -4.364
   38    HB3  ARG   7           2HB      ARG   7  20.308   7.035  -4.608
   39    HG2  ARG   7           1HG      ARG   7  21.031   7.971  -6.737
   40    HG3  ARG   7           2HG      ARG   7  19.472   8.664  -6.389
   41    HD2  ARG   7           1HD      ARG   7  22.087  10.174  -5.673
   42    HD3  ARG   7           2HD      ARG   7  21.502  10.143  -7.320
   43   HH11  ARG   7          1HH1      ARG   7  22.142  11.777  -4.591
   44   HH12  ARG   7          2HH1      ARG   7  21.342  13.290  -3.914
   45   HH21  ARG   7          1HH2      ARG   7  18.525  12.821  -5.656
   46   HH22  ARG   7          2HH2      ARG   7  19.514  13.890  -4.538
   47    H    CYS   8           H        CYS   8  18.131   9.360  -1.696
   48    HA   CYS   8           HA       CYS   8  16.813  10.795  -3.972
   49    HB2  CYS   8           2HB      CYS   8  14.582  10.896  -2.982
   50    HB3  CYS   8           1HB      CYS   8  15.025   9.246  -3.387
   51    H    ALA   9           H        ALA   9  18.974  11.309  -1.938
   52    HA   ALA   9           HA       ALA   9  17.843  13.523  -0.271
   53    HB1  ALA   9           3HB      ALA   9  20.668  12.315  -0.336
   54    HB2  ALA   9           1HB      ALA   9  19.966  13.396   0.893
   55    HB3  ALA   9           2HB      ALA   9  19.306  11.782   0.689
   56    H    TRP  10           H        TRP  10  17.436  15.180  -1.639
   57    HA   TRP  10           HA       TRP  10  19.838  17.051  -1.625
   58    HB2  TRP  10           1HB      TRP  10  17.612  17.660  -2.896
   59    HB3  TRP  10           2HB      TRP  10  16.881  17.899  -1.321
   60    HD1  TRP  10           HD1      TRP  10  18.092  19.951   0.251
   61    HE1  TRP  10           HE1      TRP  10  19.583  22.100  -0.370
   62    HE3  TRP  10           HE3      TRP  10  19.141  18.611  -4.555
   63    HZ2  TRP  10           HZ2      TRP  10  20.960  22.873  -2.680
   64    HZ3  TRP  10           HZ3      TRP  10  20.606  20.071  -5.917
   65    HH2  TRP  10           HH2      TRP  10  21.488  22.178  -5.002
   66    H    ARG  11           H        ARG  11  20.543  17.868   0.386
   67    HA   ARG  11           HA       ARG  11  19.642  16.052   2.657
   68    HB2  ARG  11           1HB      ARG  11  22.314  17.365   1.988
   69    HB3  ARG  11           2HB      ARG  11  22.006  16.571   3.516
   70    HG2  ARG  11           1HG      ARG  11  21.447  14.431   2.458
   71    HG3  ARG  11           2HG      ARG  11  21.506  15.123   0.836
   72    HD2  ARG  11           1HD      ARG  11  23.969  15.616   1.112
   73    HD3  ARG  11           2HD      ARG  11  23.921  14.921   2.727
   74   HH11  ARG  11          1HH1      ARG  11  23.251  14.894  -0.801
   75   HH12  ARG  11          2HH1      ARG  11  23.508  13.528  -2.016
   76   HH21  ARG  11          1HH2      ARG  11  24.091  11.328   0.472
   77   HH22  ARG  11          2HH2      ARG  11  23.949  11.632  -1.347
   78    H    CYS  12           H        CYS  12  18.258  16.893   3.954
   79    HA   CYS  12           HA       CYS  12  18.503  19.753   5.039
   80    HB2  CYS  12           1HB      CYS  12  16.201  17.702   5.259
   81    HB3  CYS  12           2HB      CYS  12  16.204  19.349   5.906
   82    HXT  CYS  12           HO        OH  13  20.357  18.451   7.633
  Start of MODEL   10
    1    H1   GLY   1           1H       GLY   1  10.397  12.907   1.365
    2    H2   GLY   1           2H       GLY   1   9.222  13.087   0.247
    3    HA2  GLY   1           1HA      GLY   1  10.589  14.610  -1.084
    4    HA3  GLY   1           2HA      GLY   1  10.308  15.215   0.536
    5    H    CYS   2           H        CYS   2  12.068  15.532   1.839
    6    HA   CYS   2           HA       CYS   2  14.819  15.407   0.607
    7    HB2  CYS   2           1HB      CYS   2  13.881  17.405   1.894
    8    HB3  CYS   2           2HB      CYS   2  14.011  16.465   3.386
    9    H    CYS   3           H        CYS   3  15.433  13.232   0.564
   10    HA   CYS   3           HA       CYS   3  15.006  11.385   2.744
   11    HB2  CYS   3           1HB      CYS   3  16.968  11.108   0.390
   12    HB3  CYS   3           2HB      CYS   3  16.313   9.803   1.369
   13    H    SER   4           H        SER   4  16.107  10.860   4.489
   14    HA   SER   4           HA       SER   4  19.042  11.409   5.008
   15    HB2  SER   4           1HB      SER   4  17.106   9.428   6.352
   16    HB3  SER   4           2HB      SER   4  18.770   9.701   6.838
   17    HG   SER   4           HG       SER   4  16.569  11.180   7.400
   18    H    ASP   5           H        ASP   5  17.146   8.886   3.419
   19    HA   ASP   5           HA       ASP   5  19.458   7.043   3.006
   20    HB2  ASP   5           1HB      ASP   5  16.951   6.381   3.078
   21    HB3  ASP   5           2HB      ASP   5  16.752   7.146   1.510
   22    HD2  ASP   5           HD2      ASP   5  18.977   3.764   1.805
   23    H    LYS   6           H        LYS   6  20.943   7.083   1.538
   24    HA   LYS   6           HA       LYS   6  21.725   9.583   0.733
   25    HB2  LYS   6           1HB      LYS   6  22.838   6.993  -0.481
   26    HB3  LYS   6           2HB      LYS   6  23.664   8.530  -0.513
   27    HG2  LYS   6           1HG      LYS   6  23.007   6.904   2.003
   28    HG3  LYS   6           2HG      LYS   6  24.571   7.024   1.241
   29    HD2  LYS   6           1HD      LYS   6  24.840   9.365   1.847
   30    HD3  LYS   6           2HD      LYS   6  23.172   9.546   2.364
   31    HE2  LYS   6           1HE      LYS   6  25.209   7.697   3.769
   32    HE3  LYS   6           2HE      LYS   6  24.856   9.364   4.241
   33    HZ1  LYS   6           2HZ      LYS   6  22.467   8.699   4.441
   34    HZ3  LYS   6           1HZ      LYS   6  22.853   7.157   4.141
   35    H    ARG   7           H        ARG   7  20.300   7.457  -1.732
   36    HA   ARG   7           HA       ARG   7  20.489   9.862  -3.652
   37    HB2  ARG   7           1HB      ARG   7  21.868   7.785  -4.115
   38    HB3  ARG   7           2HB      ARG   7  20.382   6.932  -4.453
   39    HG2  ARG   7           1HG      ARG   7  21.570   7.707  -6.503
   40    HG3  ARG   7           2HG      ARG   7  19.965   8.364  -6.459
   41    HD2  ARG   7           1HD      ARG   7  22.400  10.004  -5.457
   42    HD3  ARG   7           2HD      ARG   7  22.038   9.879  -7.165
   43   HH11  ARG   7          1HH1      ARG   7  22.359  11.788  -4.676
   44   HH12  ARG   7          2HH1      ARG   7  21.477  13.365  -4.305
   45   HH21  ARG   7          1HH2      ARG   7  18.764  12.500  -6.083
   46   HH22  ARG   7          2HH2      ARG   7  19.663  13.748  -5.065
   47    H    CYS   8           H        CYS   8  18.395   9.791  -1.884
   48    HA   CYS   8           HA       CYS   8  17.099  11.184  -4.168
   49    HB2  CYS   8           2HB      CYS   8  14.744  11.039  -3.333
   50    HB3  CYS   8           1HB      CYS   8  15.385   9.518  -3.946
   51    H    ALA   9           H        ALA   9  19.050  12.014  -2.535
   52    HA   ALA   9           HA       ALA   9  17.802  13.779  -0.353
   53    HB1  ALA   9           3HB      ALA   9  20.557  12.379  -0.464
   54    HB2  ALA   9           1HB      ALA   9  19.812  13.198   0.921
   55    HB3  ALA   9           2HB      ALA   9  19.111  11.695   0.309
   56    H    TRP  10           H        TRP  10  17.634  15.728  -1.604
   57    HA   TRP  10           HA       TRP  10  20.295  17.223  -1.805
   58    HB2  TRP  10           1HB      TRP  10  18.274  17.860  -3.315
   59    HB3  TRP  10           2HB      TRP  10  17.557  18.582  -1.889
   60    HD1  TRP  10           HD1      TRP  10  18.812  20.830  -0.842
   61    HE1  TRP  10           HE1      TRP  10  20.648  22.533  -1.778
   62    HE3  TRP  10           HE3      TRP  10  20.231  18.042  -4.871
   63    HZ2  TRP  10           HZ2      TRP  10  22.526  22.370  -3.887
   64    HZ3  TRP  10           HZ3      TRP  10  22.051  18.866  -6.324
   65    HH2  TRP  10           HH2      TRP  10  23.193  20.995  -5.838
   66    H    ARG  11           H        ARG  11  21.233  17.385   0.121
   67    HA   ARG  11           HA       ARG  11  19.774  16.158   2.302
   68    HB2  ARG  11           1HB      ARG  11  22.667  17.117   1.989
   69    HB3  ARG  11           2HB      ARG  11  22.121  16.378   3.472
   70    HG2  ARG  11           1HG      ARG  11  21.556  14.274   2.451
   71    HG3  ARG  11           2HG      ARG  11  21.658  14.902   0.809
   72    HD2  ARG  11           1HD      ARG  11  24.140  15.271   1.040
   73    HD3  ARG  11           2HD      ARG  11  24.068  14.763   2.717
   74   HH11  ARG  11          1HH1      ARG  11  23.513  14.382  -0.823
   75   HH12  ARG  11          2HH1      ARG  11  23.678  12.864  -1.852
   76   HH21  ARG  11          1HH2      ARG  11  24.156  10.919   0.842
   77   HH22  ARG  11          2HH2      ARG  11  24.060  11.084  -0.997
   78    H    CYS  12           H        CYS  12  18.742  16.897   3.983
   79    HA   CYS  12           HA       CYS  12  18.775  19.906   4.611
   80    HB2  CYS  12           1HB      CYS  12  16.623  17.784   5.261
   81    HB3  CYS  12           2HB      CYS  12  16.475  19.537   5.386
   82    HXT  CYS  12           HO        OH  13  20.648  18.799   7.402
  Start of MODEL   11
    1    H1   GLY   1           1H       GLY   1  10.218  13.429   2.430
    2    H2   GLY   1           2H       GLY   1   9.011  13.044   1.385
    3    HA2  GLY   1           1HA      GLY   1  10.152  13.953  -0.498
    4    HA3  GLY   1           2HA      GLY   1  10.046  15.176   0.754
    5    H    CYS   2           H        CYS   2  11.975  15.658   1.925
    6    HA   CYS   2           HA       CYS   2  14.504  15.460   0.271
    7    HB2  CYS   2           1HB      CYS   2  13.754  17.620   1.274
    8    HB3  CYS   2           2HB      CYS   2  13.892  16.941   2.912
    9    H    CYS   3           H        CYS   3  15.050  13.285   0.451
   10    HA   CYS   3           HA       CYS   3  14.824  11.642   2.673
   11    HB2  CYS   3           1HB      CYS   3  16.911  11.263   0.431
   12    HB3  CYS   3           2HB      CYS   3  16.207   9.998   1.421
   13    H    SER   4           H        SER   4  15.930  10.980   4.386
   14    HA   SER   4           HA       SER   4  18.797  11.609   5.073
   15    HB2  SER   4           1HB      SER   4  16.912   9.393   6.101
   16    HB3  SER   4           2HB      SER   4  18.551   9.679   6.680
   17    HG   SER   4           HG       SER   4  16.952  10.689   7.988
   18    H    ASP   5           H        ASP   5  17.034   8.936   3.491
   19    HA   ASP   5           HA       ASP   5  19.361   7.247   2.989
   20    HB2  ASP   5           1HB      ASP   5  16.802   6.626   3.001
   21    HB3  ASP   5           2HB      ASP   5  16.730   7.273   1.369
   22    HD2  ASP   5           HD2      ASP   5  18.730   3.862   2.164
   23    H    LYS   6           H        LYS   6  20.865   7.239   1.555
   24    HA   LYS   6           HA       LYS   6  21.699   9.777   0.772
   25    HB2  LYS   6           1HB      LYS   6  22.843   7.120  -0.283
   26    HB3  LYS   6           2HB      LYS   6  23.710   8.630  -0.256
   27    HG2  LYS   6           1HG      LYS   6  22.782   7.090   2.244
   28    HG3  LYS   6           2HG      LYS   6  24.389   7.055   1.569
   29    HD2  LYS   6           1HD      LYS   6  24.801   9.395   2.087
   30    HD3  LYS   6           2HD      LYS   6  23.128   9.709   2.532
   31    HE2  LYS   6           1HE      LYS   6  24.965   7.718   4.028
   32    HE3  LYS   6           2HE      LYS   6  24.807   9.422   4.462
   33    HZ1  LYS   6           2HZ      LYS   6  22.392   9.077   4.767
   34    HZ3  LYS   6           1HZ      LYS   6  22.515   7.508   4.376
   35    H    ARG   7           H        ARG   7  20.196   7.654  -1.571
   36    HA   ARG   7           HA       ARG   7  20.669   9.830  -3.691
   37    HB2  ARG   7           1HB      ARG   7  21.958   7.613  -3.857
   38    HB3  ARG   7           2HB      ARG   7  20.444   6.860  -4.304
   39    HG2  ARG   7           1HG      ARG   7  21.882   7.392  -6.246
   40    HG3  ARG   7           2HG      ARG   7  20.388   8.259  -6.413
   41    HD2  ARG   7           1HD      ARG   7  22.823   9.686  -5.154
   42    HD3  ARG   7           2HD      ARG   7  22.797   9.371  -6.869
   43   HH11  ARG   7          1HH1      ARG   7  22.508  11.387  -4.242
   44   HH12  ARG   7          2HH1      ARG   7  21.592  12.972  -4.043
   45   HH21  ARG   7          1HH2      ARG   7  19.752  12.400  -6.806
   46   HH22  ARG   7          2HH2      ARG   7  20.155  13.516  -5.382
   47    H    CYS   8           H        CYS   8  18.207   9.402  -1.971
   48    HA   CYS   8           HA       CYS   8  17.205  11.223  -4.190
   49    HB2  CYS   8           2HB      CYS   8  14.866  11.193  -3.304
   50    HB3  CYS   8           1HB      CYS   8  15.371   9.646  -3.972
   51    H    ALA   9           H        ALA   9  19.220  11.474  -2.056
   52    HA   ALA   9           HA       ALA   9  18.045  13.465  -0.127
   53    HB1  ALA   9           3HB      ALA   9  20.846  12.180  -0.236
   54    HB2  ALA   9           1HB      ALA   9  20.093  13.036   1.124
   55    HB3  ALA   9           2HB      ALA   9  19.424  11.503   0.601
   56    H    TRP  10           H        TRP  10  17.756  15.356  -1.313
   57    HA   TRP  10           HA       TRP  10  20.296  16.990  -1.891
   58    HB2  TRP  10           1HB      TRP  10  18.226  17.358  -3.296
   59    HB3  TRP  10           2HB      TRP  10  17.336  17.867  -1.881
   60    HD1  TRP  10           HD1      TRP  10  17.820  20.350  -0.927
   61    HE1  TRP  10           HE1      TRP  10  19.328  22.426  -1.645
   62    HE3  TRP  10           HE3      TRP  10  20.498  17.971  -4.560
   63    HZ2  TRP  10           HZ2      TRP  10  21.266  22.824  -3.636
   64    HZ3  TRP  10           HZ3      TRP  10  22.258  19.230  -5.758
   65    HH2  TRP  10           HH2      TRP  10  22.633  21.618  -5.312
   66    H    ARG  11           H        ARG  11  21.261  16.726   0.118
   67    HA   ARG  11           HA       ARG  11  19.842  15.976   2.311
   68    HB2  ARG  11           1HB      ARG  11  22.737  16.927   2.148
   69    HB3  ARG  11           2HB      ARG  11  22.091  16.267   3.630
   70    HG2  ARG  11           1HG      ARG  11  21.499  14.111   2.611
   71    HG3  ARG  11           2HG      ARG  11  21.874  14.691   0.987
   72    HD2  ARG  11           1HD      ARG  11  24.299  15.059   1.713
   73    HD3  ARG  11           2HD      ARG  11  23.897  14.396   3.291
   74   HH11  ARG  11          1HH1      ARG  11  23.623  14.393  -0.306
   75   HH12  ARG  11          2HH1      ARG  11  24.127  13.083  -1.496
   76   HH21  ARG  11          1HH2      ARG  11  24.485  10.827   0.985
   77   HH22  ARG  11          2HH2      ARG  11  24.548  11.202  -0.822
   78    H    CYS  12           H        CYS  12  18.671  16.722   3.850
   79    HA   CYS  12           HA       CYS  12  18.653  19.711   4.586
   80    HB2  CYS  12           1HB      CYS  12  16.471  17.527   4.882
   81    HB3  CYS  12           2HB      CYS  12  16.306  19.227   5.326
   82    HXT  CYS  12           HO        OH  13  20.097  18.938   7.598
  Start of MODEL   12
    1    H1   GLY   1           1H       GLY   1   9.877  14.035   2.410
    2    H2   GLY   1           2H       GLY   1   8.522  14.128   1.504
    3    HA2  GLY   1           1HA      GLY   1   9.833  14.509  -0.543
    4    HA3  GLY   1           2HA      GLY   1   9.986  15.782   0.647
    5    H    CYS   2           H        CYS   2  11.893  15.728   2.017
    6    HA   CYS   2           HA       CYS   2  14.351  15.266   0.309
    7    HB2  CYS   2           1HB      CYS   2  13.835  17.485   1.352
    8    HB3  CYS   2           2HB      CYS   2  13.902  16.767   2.974
    9    H    CYS   3           H        CYS   3  15.298  13.278   0.476
   10    HA   CYS   3           HA       CYS   3  14.905  11.510   2.752
   11    HB2  CYS   3           1HB      CYS   3  16.921  11.146   0.451
   12    HB3  CYS   3           2HB      CYS   3  16.226   9.888   1.453
   13    H    SER   4           H        SER   4  16.164  10.782   4.320
   14    HA   SER   4           HA       SER   4  19.052  11.595   4.800
   15    HB2  SER   4           1HB      SER   4  17.279   9.469   6.155
   16    HB3  SER   4           2HB      SER   4  18.963   9.761   6.563
   17    HG   SER   4           HG       SER   4  18.387  11.962   7.080
   18    H    ASP   5           H        ASP   5  17.197   8.835   3.501
   19    HA   ASP   5           HA       ASP   5  19.457   7.079   2.981
   20    HB2  ASP   5           1HB      ASP   5  16.882   6.537   3.080
   21    HB3  ASP   5           2HB      ASP   5  16.789   7.112   1.425
   22    HD2  ASP   5           HD2      ASP   5  18.494   3.599   2.385
   23    H    LYS   6           H        LYS   6  20.888   6.903   1.451
   24    HA   LYS   6           HA       LYS   6  21.700   9.484   0.713
   25    HB2  LYS   6           1HB      LYS   6  23.010   6.821  -0.100
   26    HB3  LYS   6           2HB      LYS   6  23.828   8.355  -0.129
   27    HG2  LYS   6           1HG      LYS   6  22.780   6.996   2.427
   28    HG3  LYS   6           2HG      LYS   6  24.427   6.946   1.841
   29    HD2  LYS   6           1HD      LYS   6  24.658   9.411   2.086
   30    HD3  LYS   6           2HD      LYS   6  22.988   9.570   2.636
   31    HE2  LYS   6           1HE      LYS   6  25.192   7.944   4.084
   32    HE3  LYS   6           2HE      LYS   6  24.771   9.620   4.454
   33    HZ1  LYS   6           2HZ      LYS   6  22.465   8.867   4.924
   34    HZ3  LYS   6           1HZ      LYS   6  22.865   7.328   4.619
   35    H    ARG   7           H        ARG   7  19.841   7.846  -1.521
   36    HA   ARG   7           HA       ARG   7  20.669   9.892  -3.560
   37    HB2  ARG   7           1HB      ARG   7  21.937   7.661  -3.951
   38    HB3  ARG   7           2HB      ARG   7  20.413   6.979  -4.466
   39    HG2  ARG   7           1HG      ARG   7  21.855   7.673  -6.367
   40    HG3  ARG   7           2HG      ARG   7  20.364   8.566  -6.436
   41    HD2  ARG   7           1HD      ARG   7  22.924   9.746  -5.155
   42    HD3  ARG   7           2HD      ARG   7  22.647   9.832  -6.885
   43   HH11  ARG   7          1HH1      ARG   7  23.373  11.660  -4.755
   44   HH12  ARG   7          2HH1      ARG   7  22.713  13.290  -4.183
   45   HH21  ARG   7          1HH2      ARG   7  19.714  12.717  -5.509
   46   HH22  ARG   7          2HH2      ARG   7  20.849  13.849  -4.583
   47    H    CYS   8           H        CYS   8  18.170   9.404  -1.960
   48    HA   CYS   8           HA       CYS   8  17.205  11.347  -4.101
   49    HB2  CYS   8           2HB      CYS   8  14.858  11.275  -3.237
   50    HB3  CYS   8           1HB      CYS   8  15.370   9.762  -3.984
   51    H    ALA   9           H        ALA   9  19.264  11.614  -2.227
   52    HA   ALA   9           HA       ALA   9  18.194  13.390   0.011
   53    HB1  ALA   9           3HB      ALA   9  20.830  11.812  -0.345
   54    HB2  ALA   9           1HB      ALA   9  20.350  12.727   1.098
   55    HB3  ALA   9           2HB      ALA   9  19.405  11.324   0.613
   56    H    TRP  10           H        TRP  10  17.942  15.232  -1.492
   57    HA   TRP  10           HA       TRP  10  20.496  16.880  -1.805
   58    HB2  TRP  10           1HB      TRP  10  18.606  17.038  -3.448
   59    HB3  TRP  10           2HB      TRP  10  17.543  17.656  -2.196
   60    HD1  TRP  10           HD1      TRP  10  17.832  20.244  -1.511
   61    HE1  TRP  10           HE1      TRP  10  19.336  22.305  -2.307
   62    HE3  TRP  10           HE3      TRP  10  20.945  17.574  -4.521
   63    HZ2  TRP  10           HZ2      TRP  10  21.648  22.490  -3.905
   64    HZ3  TRP  10           HZ3      TRP  10  22.888  18.719  -5.545
   65    HH2  TRP  10           HH2      TRP  10  23.236  21.137  -5.242
   66    H    ARG  11           H        ARG  11  21.333  16.972   0.207
   67    HA   ARG  11           HA       ARG  11  19.731  16.218   2.326
   68    HB2  ARG  11           1HB      ARG  11  22.668  17.038   2.249
   69    HB3  ARG  11           2HB      ARG  11  21.940  16.450   3.730
   70    HG2  ARG  11           1HG      ARG  11  21.279  14.298   2.745
   71    HG3  ARG  11           2HG      ARG  11  21.712  14.834   1.130
   72    HD2  ARG  11           1HD      ARG  11  24.148  15.072   1.852
   73    HD3  ARG  11           2HD      ARG  11  23.712  14.449   3.437
   74   HH11  ARG  11          1HH1      ARG  11  23.538  14.446  -0.149
   75   HH12  ARG  11          2HH1      ARG  11  23.855  13.076  -1.335
   76   HH21  ARG  11          1HH2      ARG  11  23.831  10.797   1.156
   77   HH22  ARG  11          2HH2      ARG  11  23.956  11.144  -0.650
   78    H    CYS  12           H        CYS  12  18.631  16.961   3.864
   79    HA   CYS  12           HA       CYS  12  18.522  19.960   4.454
   80    HB2  CYS  12           1HB      CYS  12  16.453  17.687   4.887
   81    HB3  CYS  12           2HB      CYS  12  16.160  19.427   5.019
   82    HXT  CYS  12           HO        OH  13  19.642  19.637   7.668
  Start of MODEL   13
    1    H1   GLY   1           1H       GLY   1  12.455  12.893  -1.839
    2    H2   GLY   1           2H       GLY   1  12.419  12.418  -0.269
    3    HA2  GLY   1           1HA      GLY   1  10.916  14.744  -1.402
    4    HA3  GLY   1           2HA      GLY   1  10.802  14.234   0.269
    5    H    CYS   2           H        CYS   2  12.664  14.497   1.607
    6    HA   CYS   2           HA       CYS   2  15.084  15.965   0.527
    7    HB2  CYS   2           1HB      CYS   2  13.473  17.789   1.226
    8    HB3  CYS   2           2HB      CYS   2  13.489  17.159   2.883
    9    H    CYS   3           H        CYS   3  15.980  13.932   0.853
   10    HA   CYS   3           HA       CYS   3  15.457  12.430   3.289
   11    HB2  CYS   3           1HB      CYS   3  17.174  11.757   0.806
   12    HB3  CYS   3           2HB      CYS   3  16.610  10.608   2.004
   13    H    SER   4           H        SER   4  16.681  11.535   4.764
   14    HA   SER   4           HA       SER   4  19.688  11.896   5.096
   15    HB2  SER   4           1HB      SER   4  17.590  10.113   6.492
   16    HB3  SER   4           2HB      SER   4  19.306   9.791   6.658
   17    HG   SER   4           HG       SER   4  18.210  12.392   7.197
   18    H    ASP   5           H        ASP   5  17.416   9.527   3.701
   19    HA   ASP   5           HA       ASP   5  19.362   7.501   2.910
   20    HB2  ASP   5           1HB      ASP   5  16.905   7.113   2.967
   21    HB3  ASP   5           2HB      ASP   5  16.640   8.267   1.669
   22    HD2  ASP   5           HD2      ASP   5  17.359   6.062  -0.826
   23    H    LYS   6           H        LYS   6  21.052   7.787   1.799
   24    HA   LYS   6           HA       LYS   6  21.753  10.015   0.279
   25    HB2  LYS   6           1HB      LYS   6  23.073   7.250   0.115
   26    HB3  LYS   6           2HB      LYS   6  23.828   8.768  -0.274
   27    HG2  LYS   6           1HG      LYS   6  22.953   7.862   2.539
   28    HG3  LYS   6           2HG      LYS   6  24.584   7.912   1.921
   29    HD2  LYS   6           1HD      LYS   6  24.475  10.414   1.717
   30    HD3  LYS   6           2HD      LYS   6  22.820  10.434   2.290
   31    HE2  LYS   6           1HE      LYS   6  25.230   9.422   3.963
   32    HE3  LYS   6           2HE      LYS   6  24.570  11.057   4.015
   33    HZ1  LYS   6           2HZ      LYS   6  23.130   8.559   4.747
   34    HZ3  LYS   6           1HZ      LYS   6  22.352   9.929   4.502
   35    H    ARG   7           H        ARG   7  19.698   7.932  -1.117
   36    HA   ARG   7           HA       ARG   7  19.953   9.572  -3.556
   37    HB2  ARG   7           1HB      ARG   7  21.237   7.416  -4.110
   38    HB3  ARG   7           2HB      ARG   7  19.712   6.559  -4.036
   39    HG2  ARG   7           1HG      ARG   7  20.265   7.016  -6.351
   40    HG3  ARG   7           2HG      ARG   7  18.845   7.955  -6.010
   41    HD2  ARG   7           1HD      ARG   7  21.719   9.110  -5.976
   42    HD3  ARG   7           2HD      ARG   7  20.730   9.029  -7.413
   43   HH11  ARG   7          1HH1      ARG   7  22.347  10.781  -5.358
   44   HH12  ARG   7          2HH1      ARG   7  22.130  12.560  -4.938
   45   HH21  ARG   7          1HH2      ARG   7  18.824  12.440  -5.637
   46   HH22  ARG   7          2HH2      ARG   7  20.267  13.413  -5.033
   47    H    CYS   8           H        CYS   8  18.071   9.645  -1.457
   48    HA   CYS   8           HA       CYS   8  16.518  10.773  -3.774
   49    HB2  CYS   8           2HB      CYS   8  14.390  11.057  -2.487
   50    HB3  CYS   8           1HB      CYS   8  14.770   9.382  -2.885
   51    H    ALA   9           H        ALA   9  18.785  11.667  -2.948
   52    HA   ALA   9           HA       ALA   9  18.564  13.214  -0.411
   53    HB1  ALA   9           3HB      ALA   9  21.014  12.236  -1.993
   54    HB2  ALA   9           1HB      ALA   9  20.927  12.739  -0.288
   55    HB3  ALA   9           2HB      ALA   9  20.093  11.292  -0.802
   56    H    TRP  10           H        TRP  10  17.429  14.923  -1.522
   57    HA   TRP  10           HA       TRP  10  19.413  17.244  -1.714
   58    HB2  TRP  10           1HB      TRP  10  17.209  17.357  -3.017
   59    HB3  TRP  10           2HB      TRP  10  16.343  17.410  -1.493
   60    HD1  TRP  10           HD1      TRP  10  18.925  19.661  -0.378
   61    HE1  TRP  10           HE1      TRP  10  18.511  22.205  -0.966
   62    HE3  TRP  10           HE3      TRP  10  15.465  18.857  -4.025
   63    HZ2  TRP  10           HZ2      TRP  10  16.850  23.514  -2.850
   64    HZ3  TRP  10           HZ3      TRP  10  14.476  20.783  -5.179
   65    HH2  TRP  10           HH2      TRP  10  15.143  23.097  -4.602
   66    H    ARG  11           H        ARG  11  20.423  17.262   0.258
   67    HA   ARG  11           HA       ARG  11  19.285  15.582   2.397
   68    HB2  ARG  11           1HB      ARG  11  22.027  16.888   2.087
   69    HB3  ARG  11           2HB      ARG  11  21.594  15.871   3.448
   70    HG2  ARG  11           1HG      ARG  11  21.082  13.931   1.949
   71    HG3  ARG  11           2HG      ARG  11  21.424  14.907   0.523
   72    HD2  ARG  11           1HD      ARG  11  23.830  15.245   1.331
   73    HD3  ARG  11           2HD      ARG  11  23.460  14.275   2.753
   74   HH11  ARG  11          1HH1      ARG  11  23.527  14.935  -0.762
   75   HH12  ARG  11          2HH1      ARG  11  23.941  13.792  -2.158
   76   HH21  ARG  11          1HH2      ARG  11  23.890  11.121  -0.112
   77   HH22  ARG  11          2HH2      ARG  11  24.102  11.794  -1.821
   78    H    CYS  12           H        CYS  12  17.633  16.602   3.454
   79    HA   CYS  12           HA       CYS  12  18.085  18.942   5.279
   80    HB2  CYS  12           1HB      CYS  12  15.843  16.812   5.137
   81    HB3  CYS  12           2HB      CYS  12  15.871  18.154   6.282
   82    HXT  CYS  12           HO        OH  13  18.703  17.588   8.391
  Start of MODEL   14
    1    H1   GLY   1           1H       GLY   1  11.766  12.277  -0.297
    2    H2   GLY   1           2H       GLY   1  11.194  13.110   0.986
    3    HA2  GLY   1           1HA      GLY   1  11.370  14.184  -1.795
    4    HA3  GLY   1           2HA      GLY   1  10.739  15.091  -0.436
    5    H    CYS   2           H        CYS   2  12.187  15.736   1.190
    6    HA   CYS   2           HA       CYS   2  15.086  16.057   0.386
    7    HB2  CYS   2           1HB      CYS   2  13.545  17.943   1.231
    8    HB3  CYS   2           2HB      CYS   2  13.607  17.193   2.835
    9    H    CYS   3           H        CYS   3  15.416  13.685   0.619
   10    HA   CYS   3           HA       CYS   3  15.293  12.381   3.198
   11    HB2  CYS   3           1HB      CYS   3  16.936  11.415   0.771
   12    HB3  CYS   3           2HB      CYS   3  16.269  10.452   2.069
   13    H    SER   4           H        SER   4  16.790  11.507   4.530
   14    HA   SER   4           HA       SER   4  19.768  12.190   4.383
   15    HB2  SER   4           1HB      SER   4  18.211  10.418   6.361
   16    HB3  SER   4           2HB      SER   4  19.963  10.603   6.339
   17    HG   SER   4           HG       SER   4  18.247  12.175   7.550
   18    H    ASP   5           H        ASP   5  17.483   9.533   3.710
   19    HA   ASP   5           HA       ASP   5  19.319   7.476   2.865
   20    HB2  ASP   5           1HB      ASP   5  16.900   7.098   3.151
   21    HB3  ASP   5           2HB      ASP   5  16.494   8.217   1.866
   22    HD2  ASP   5           HD2      ASP   5  16.861   5.984  -0.661
   23    H    LYS   6           H        LYS   6  20.847   7.479   1.509
   24    HA   LYS   6           HA       LYS   6  21.626   9.927   0.403
   25    HB2  LYS   6           1HB      LYS   6  22.874   7.167  -0.077
   26    HB3  LYS   6           2HB      LYS   6  23.697   8.675  -0.388
   27    HG2  LYS   6           1HG      LYS   6  22.677   7.847   2.409
   28    HG3  LYS   6           2HG      LYS   6  24.281   7.527   1.815
   29    HD2  LYS   6           1HD      LYS   6  24.745   9.965   1.589
   30    HD3  LYS   6           2HD      LYS   6  23.098  10.380   2.063
   31    HE2  LYS   6           1HE      LYS   6  25.155   8.959   3.892
   32    HE3  LYS   6           2HE      LYS   6  24.824  10.684   3.869
   33    HZ1  LYS   6           2HZ      LYS   6  22.979   8.524   4.680
   34    HZ3  LYS   6           1HZ      LYS   6  22.371   9.931   4.205
   35    H    ARG   7           H        ARG   7  19.907   7.726  -1.482
   36    HA   ARG   7           HA       ARG   7  19.845   9.901  -3.539
   37    HB2  ARG   7           1HB      ARG   7  21.504   8.074  -4.353
   38    HB3  ARG   7           2HB      ARG   7  20.106   7.040  -4.568
   39    HG2  ARG   7           1HG      ARG   7  20.703   8.071  -6.702
   40    HG3  ARG   7           2HG      ARG   7  19.137   8.663  -6.241
   41    HD2  ARG   7           1HD      ARG   7  21.618  10.332  -5.474
   42    HD3  ARG   7           2HD      ARG   7  21.155  10.267  -7.157
   43   HH11  ARG   7          1HH1      ARG   7  21.375  11.804  -4.278
   44   HH12  ARG   7          2HH1      ARG   7  20.499  13.329  -3.728
   45   HH21  ARG   7          1HH2      ARG   7  17.948  12.746  -5.864
   46   HH22  ARG   7          2HH2      ARG   7  18.703  13.854  -4.595
   47    H    CYS   8           H        CYS   8  17.926   9.249  -1.542
   48    HA   CYS   8           HA       CYS   8  16.638  10.763  -3.797
   49    HB2  CYS   8           2HB      CYS   8  14.488  11.045  -2.559
   50    HB3  CYS   8           1HB      CYS   8  14.774   9.402  -3.103
   51    H    ALA   9           H        ALA   9  18.928  11.065  -1.767
   52    HA   ALA   9           HA       ALA   9  18.138  13.154   0.078
   53    HB1  ALA   9           3HB      ALA   9  20.913  12.064  -0.653
   54    HB2  ALA   9           1HB      ALA   9  20.515  13.056   0.763
   55    HB3  ALA   9           2HB      ALA   9  19.804  11.476   0.620
   56    H    TRP  10           H        TRP  10  17.310  14.796  -1.059
   57    HA   TRP  10           HA       TRP  10  19.367  17.018  -1.458
   58    HB2  TRP  10           1HB      TRP  10  16.967  17.200  -2.454
   59    HB3  TRP  10           2HB      TRP  10  16.380  17.412  -0.829
   60    HD1  TRP  10           HD1      TRP  10  18.499  19.536   0.400
   61    HE1  TRP  10           HE1      TRP  10  18.600  22.007  -0.435
   62    HE3  TRP  10           HE3      TRP  10  16.291  18.696  -4.120
   63    HZ2  TRP  10           HZ2      TRP  10  17.928  23.265  -2.923
   64    HZ3  TRP  10           HZ3      TRP  10  15.969  20.601  -5.665
   65    HH2  TRP  10           HH2      TRP  10  16.802  22.851  -5.082
   66    H    ARG  11           H        ARG  11  20.568  17.080   0.382
   67    HA   ARG  11           HA       ARG  11  19.714  15.722   2.807
   68    HB2  ARG  11           1HB      ARG  11  22.301  17.189   2.094
   69    HB3  ARG  11           2HB      ARG  11  22.059  16.384   3.630
   70    HG2  ARG  11           1HG      ARG  11  21.588  14.195   2.527
   71    HG3  ARG  11           2HG      ARG  11  21.686  14.945   0.939
   72    HD2  ARG  11           1HD      ARG  11  24.139  15.497   1.331
   73    HD3  ARG  11           2HD      ARG  11  24.037  14.745   2.920
   74   HH11  ARG  11          1HH1      ARG  11  23.508  14.887  -0.602
   75   HH12  ARG  11          2HH1      ARG  11  23.615  13.568  -1.891
   76   HH21  ARG  11          1HH2      ARG  11  24.048  11.199   0.458
   77   HH22  ARG  11          2HH2      ARG  11  23.943  11.623  -1.334
   78    H    CYS  12           H        CYS  12  17.908  16.855   3.555
   79    HA   CYS  12           HA       CYS  12  18.159  19.386   5.095
   80    HB2  CYS  12           1HB      CYS  12  16.062  17.117   5.139
   81    HB3  CYS  12           2HB      CYS  12  15.972  18.549   6.164
   82    HXT  CYS  12           HO        OH  13  19.524  18.584   8.078
  Start of MODEL   15
    1    H1   GLY   1           1H       GLY   1  12.106  12.548   0.005
    2    H2   GLY   1           2H       GLY   1  11.426  12.227  -1.453
    3    HA2  GLY   1           1HA      GLY   1  12.292  14.241  -2.441
    4    HA3  GLY   1           2HA      GLY   1  11.306  14.618  -1.040
    5    H    CYS   2           H        CYS   2  12.663  14.672   1.046
    6    HA   CYS   2           HA       CYS   2  15.408  15.940   0.592
    7    HB2  CYS   2           1HB      CYS   2  13.542  17.701   1.131
    8    HB3  CYS   2           2HB      CYS   2  13.585  17.056   2.781
    9    H    CYS   3           H        CYS   3  15.664  13.575   0.825
   10    HA   CYS   3           HA       CYS   3  15.212  12.265   3.362
   11    HB2  CYS   3           1HB      CYS   3  16.894  11.323   0.933
   12    HB3  CYS   3           2HB      CYS   3  16.112  10.298   2.131
   13    H    SER   4           H        SER   4  16.535  11.249   4.825
   14    HA   SER   4           HA       SER   4  19.538  11.717   4.963
   15    HB2  SER   4           1HB      SER   4  17.718   9.767   6.511
   16    HB3  SER   4           2HB      SER   4  19.454   9.932   6.754
   17    HG   SER   4           HG       SER   4  17.392  11.733   7.399
   18    H    ASP   5           H        ASP   5  17.430   9.411   3.409
   19    HA   ASP   5           HA       ASP   5  19.576   7.447   2.673
   20    HB2  ASP   5           1HB      ASP   5  17.116   6.831   2.718
   21    HB3  ASP   5           2HB      ASP   5  16.802   7.950   1.403
   22    HD2  ASP   5           HD2      ASP   5  18.233   5.875  -1.034
   23    H    LYS   6           H        LYS   6  21.177   7.910   1.373
   24    HA   LYS   6           HA       LYS   6  21.436  10.576   0.172
   25    HB2  LYS   6           1HB      LYS   6  23.284   8.152  -0.057
   26    HB3  LYS   6           2HB      LYS   6  23.703   9.784  -0.510
   27    HG2  LYS   6           1HG      LYS   6  23.173   8.771   2.347
   28    HG3  LYS   6           2HG      LYS   6  24.702   9.274   1.653
   29    HD2  LYS   6           1HD      LYS   6  23.715  11.632   1.360
   30    HD3  LYS   6           2HD      LYS   6  22.296  11.125   2.251
   31    HE2  LYS   6           1HE      LYS   6  25.191  11.089   3.370
   32    HE3  LYS   6           2HE      LYS   6  24.034  12.399   3.601
   33    HZ1  LYS   6           2HZ      LYS   6  23.680   9.596   4.529
   34    HZ3  LYS   6           1HZ      LYS   6  22.498  10.708   4.608
   35    H    ARG   7           H        ARG   7  19.910   8.054  -1.270
   36    HA   ARG   7           HA       ARG   7  19.513   9.954  -3.518
   37    HB2  ARG   7           1HB      ARG   7  21.195   8.087  -4.321
   38    HB3  ARG   7           2HB      ARG   7  19.804   7.027  -4.316
   39    HG2  ARG   7           1HG      ARG   7  20.189   7.862  -6.557
   40    HG3  ARG   7           2HG      ARG   7  18.657   8.506  -6.047
   41    HD2  ARG   7           1HD      ARG   7  21.244  10.178  -5.671
   42    HD3  ARG   7           2HD      ARG   7  20.581   9.995  -7.267
   43   HH11  ARG   7          1HH1      ARG   7  21.095  11.615  -4.374
   44   HH12  ARG   7          2HH1      ARG   7  20.342  13.208  -3.842
   45   HH21  ARG   7          1HH2      ARG   7  17.677  12.772  -5.855
   46   HH22  ARG   7          2HH2      ARG   7  18.615  13.867  -4.709
   47    H    CYS   8           H        CYS   8  17.792   9.448  -1.305
   48    HA   CYS   8           HA       CYS   8  16.495  10.711  -3.666
   49    HB2  CYS   8           2HB      CYS   8  14.256  11.008  -2.616
   50    HB3  CYS   8           1HB      CYS   8  14.630   9.331  -3.002
   51    H    ALA   9           H        ALA   9  18.670  11.270  -1.634
   52    HA   ALA   9           HA       ALA   9  17.727  13.470  -0.002
   53    HB1  ALA   9           3HB      ALA   9  20.610  12.599  -0.584
   54    HB2  ALA   9           1HB      ALA   9  20.016  13.589   0.778
   55    HB3  ALA   9           2HB      ALA   9  19.517  11.929   0.667
   56    H    TRP  10           H        TRP  10  16.912  15.126  -1.130
   57    HA   TRP  10           HA       TRP  10  19.098  17.195  -1.541
   58    HB2  TRP  10           1HB      TRP  10  16.746  17.765  -2.326
   59    HB3  TRP  10           2HB      TRP  10  16.176  17.685  -0.680
   60    HD1  TRP  10           HD1      TRP  10  17.973  19.501   1.076
   61    HE1  TRP  10           HE1      TRP  10  18.564  22.042   0.620
   62    HE3  TRP  10           HE3      TRP  10  16.781  19.514  -3.887
   63    HZ2  TRP  10           HZ2      TRP  10  18.330  23.712  -1.658
   64    HZ3  TRP  10           HZ3      TRP  10  17.045  21.602  -5.176
   65    HH2  TRP  10           HH2      TRP  10  17.804  23.672  -4.084
   66    H    ARG  11           H        ARG  11  20.384  17.485   0.224
   67    HA   ARG  11           HA       ARG  11  19.895  15.722   2.579
   68    HB2  ARG  11           1HB      ARG  11  22.280  17.422   1.711
   69    HB3  ARG  11           2HB      ARG  11  22.285  16.441   3.160
   70    HG2  ARG  11           1HG      ARG  11  22.079  14.349   1.953
   71    HG3  ARG  11           2HG      ARG  11  21.554  15.136   0.470
   72    HD2  ARG  11           1HD      ARG  11  23.796  16.147   0.089
   73    HD3  ARG  11           2HD      ARG  11  24.357  15.510   1.624
   74   HH11  ARG  11          1HH1      ARG  11  22.692  15.164  -1.546
   75   HH12  ARG  11          2HH1      ARG  11  22.932  13.872  -2.841
   76   HH21  ARG  11          1HH2      ARG  11  24.785  11.980  -0.753
   77   HH22  ARG  11          2HH2      ARG  11  24.012  12.204  -2.415
   78    H    CYS  12           H        CYS  12  18.055  16.761   3.450
   79    HA   CYS  12           HA       CYS  12  18.208  19.277   5.050
   80    HB2  CYS  12           1HB      CYS  12  16.215  16.913   4.986
   81    HB3  CYS  12           2HB      CYS  12  16.062  18.257   6.114
   82    HXT  CYS  12           HO        OH  13  19.220  18.400   8.185
  Start of MODEL   16
    1    H1   GLY   1           1H       GLY   1  10.619  12.177  -0.586
    2    H2   GLY   1           2H       GLY   1  12.182  12.096  -0.998
    3    HA2  GLY   1           1HA      GLY   1  11.291  14.214  -1.667
    4    HA3  GLY   1           2HA      GLY   1  10.745  14.523  -0.029
    5    H    CYS   2           H        CYS   2  12.196  15.398   1.383
    6    HA   CYS   2           HA       CYS   2  15.045  16.077   0.458
    7    HB2  CYS   2           1HB      CYS   2  13.412  17.856   1.410
    8    HB3  CYS   2           2HB      CYS   2  13.591  17.070   2.985
    9    H    CYS   3           H        CYS   3  15.530  13.739   0.597
   10    HA   CYS   3           HA       CYS   3  15.116  12.268   3.036
   11    HB2  CYS   3           1HB      CYS   3  16.952  11.431   0.711
   12    HB3  CYS   3           2HB      CYS   3  16.117  10.386   1.842
   13    H    SER   4           H        SER   4  16.356  11.483   4.618
   14    HA   SER   4           HA       SER   4  19.346  11.923   4.856
   15    HB2  SER   4           1HB      SER   4  17.451  10.032   6.382
   16    HB3  SER   4           2HB      SER   4  19.188  10.175   6.666
   17    HG   SER   4           HG       SER   4  17.824  11.572   8.025
   18    H    ASP   5           H        ASP   5  17.205   9.436   3.496
   19    HA   ASP   5           HA       ASP   5  19.280   7.474   2.801
   20    HB2  ASP   5           1HB      ASP   5  16.845   6.927   2.854
   21    HB3  ASP   5           2HB      ASP   5  16.510   8.065   1.555
   22    HD2  ASP   5           HD2      ASP   5  17.660   6.046  -0.965
   23    H    LYS   6           H        LYS   6  20.916   7.688   1.568
   24    HA   LYS   6           HA       LYS   6  21.621  10.176   0.483
   25    HB2  LYS   6           1HB      LYS   6  22.979   7.483  -0.077
   26    HB3  LYS   6           2HB      LYS   6  23.730   9.040  -0.289
   27    HG2  LYS   6           1HG      LYS   6  22.814   7.853   2.401
   28    HG3  LYS   6           2HG      LYS   6  24.450   7.902   1.809
   29    HD2  LYS   6           1HD      LYS   6  24.485  10.390   1.911
   30    HD3  LYS   6           2HD      LYS   6  22.792  10.467   2.370
   31    HE2  LYS   6           1HE      LYS   6  24.992   9.098   4.063
   32    HE3  LYS   6           2HE      LYS   6  24.466  10.769   4.274
   33    HZ1  LYS   6           2HZ      LYS   6  22.692   8.380   4.499
   34    HZ3  LYS   6           1HZ      LYS   6  22.155   9.873   4.560
   35    H    ARG   7           H        ARG   7  20.080   7.826  -1.471
   36    HA   ARG   7           HA       ARG   7  19.858  10.053  -3.497
   37    HB2  ARG   7           1HB      ARG   7  21.575   8.333  -4.349
   38    HB3  ARG   7           2HB      ARG   7  20.254   7.195  -4.480
   39    HG2  ARG   7           1HG      ARG   7  20.570   8.093  -6.662
   40    HG3  ARG   7           2HG      ARG   7  19.086   8.830  -6.148
   41    HD2  ARG   7           1HD      ARG   7  21.846  10.232  -5.880
   42    HD3  ARG   7           2HD      ARG   7  20.933  10.274  -7.367
   43   HH11  ARG   7          1HH1      ARG   7  22.215  11.767  -4.859
   44   HH12  ARG   7          2HH1      ARG   7  21.766  13.387  -4.106
   45   HH21  ARG   7          1HH2      ARG   7  18.556  13.096  -5.114
   46   HH22  ARG   7          2HH2      ARG   7  19.830  14.007  -4.146
   47    H    CYS   8           H        CYS   8  17.968   9.414  -1.500
   48    HA   CYS   8           HA       CYS   8  16.802  10.837  -3.847
   49    HB2  CYS   8           2HB      CYS   8  14.520  11.020  -2.954
   50    HB3  CYS   8           1HB      CYS   8  14.947   9.351  -3.308
   51    H    ALA   9           H        ALA   9  18.963  11.324  -1.932
   52    HA   ALA   9           HA       ALA   9  17.984  13.382  -0.038
   53    HB1  ALA   9           3HB      ALA   9  20.790  12.255  -0.533
   54    HB2  ALA   9           1HB      ALA   9  20.280  13.297   0.819
   55    HB3  ALA   9           2HB      ALA   9  19.586  11.713   0.666
   56    H    TRP  10           H        TRP  10  17.236  14.986  -1.364
   57    HA   TRP  10           HA       TRP  10  19.329  17.200  -1.565
   58    HB2  TRP  10           1HB      TRP  10  16.906  17.377  -2.585
   59    HB3  TRP  10           2HB      TRP  10  16.326  17.526  -0.944
   60    HD1  TRP  10           HD1      TRP  10  17.323  19.800   0.487
   61    HE1  TRP  10           HE1      TRP  10  17.999  22.227  -0.339
   62    HE3  TRP  10           HE3      TRP  10  17.882  18.593  -4.440
   63    HZ2  TRP  10           HZ2      TRP  10  18.875  23.234  -2.863
   64    HZ3  TRP  10           HZ3      TRP  10  18.643  20.342  -6.021
   65    HH2  TRP  10           HH2      TRP  10  19.162  22.617  -5.239
   66    H    ARG  11           H        ARG  11  20.527  17.393   0.241
   67    HA   ARG  11           HA       ARG  11  19.823  15.714   2.562
   68    HB2  ARG  11           1HB      ARG  11  22.317  17.322   1.804
   69    HB3  ARG  11           2HB      ARG  11  22.206  16.440   3.311
   70    HG2  ARG  11           1HG      ARG  11  21.881  14.275   2.211
   71    HG3  ARG  11           2HG      ARG  11  21.671  15.028   0.634
   72    HD2  ARG  11           1HD      ARG  11  24.055  15.748   0.569
   73    HD3  ARG  11           2HD      ARG  11  24.287  15.209   2.226
   74   HH11  ARG  11          1HH1      ARG  11  22.787  14.537  -1.036
   75   HH12  ARG  11          2HH1      ARG  11  22.931  13.021  -2.076
   76   HH21  ARG  11          1HH2      ARG  11  24.669  11.404   0.282
   77   HH22  ARG  11          2HH2      ARG  11  23.945  11.409  -1.412
   78    H    CYS  12           H        CYS  12  18.035  16.735   3.476
   79    HA   CYS  12           HA       CYS  12  18.252  19.204   5.159
   80    HB2  CYS  12           1HB      CYS  12  16.257  16.826   5.042
   81    HB3  CYS  12           2HB      CYS  12  16.112  18.134   6.210
   82    HXT  CYS  12           HO        OH  13  18.626  17.798   8.405