*HEADER    TOXIN                                   24-APR-14   2MOA              
*TITLE     SOLUTION NMR STRUCTURE OF PEPTIDE IMI1 (PEAK 2)                       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ALPHA-CONOTOXIN IMI;                                       
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 5-16;                                         
*COMPND   5 SYNONYM: ALPHA-CTX IMI;                                              
*COMPND   6 ENGINEERED: YES;                                                     
*COMPND   7 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: CONUS IMPERIALIS;                               
*SOURCE   4 ORGANISM_COMMON: IMPERIAL CONE;                                      
*SOURCE   5 ORGANISM_TAXID: 35631                                                
*KEYWDS    DITHIOL AMINO ACID, CONOTOXIN, BICYCLIC PEPTIDE, MACROCYCLE, PHAGE    
*KEYWDS   2 DISPLAY, TOXIN                                                       
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    C.HEINIS, S.CHEN                                                      
*REVDAT   2   15-NOV-23 2MOA    1                                                
*REVDAT   1   24-SEP-14 2MOA    0                                                


assign (residue 2 and name HB3) (residue 2 and name HB2) 2.25 0.45 0.45
assign (residue 2 and name HD3) (residue 2 and name HD2) 2.25 0.45 0.45
assign (residue 2 and name HG) (residue 2 and name HD2) 2.25 0.45 0.45
assign (residue 3 and name HB#) (residue 3 and name HA) 2.25 0.45 0.45
assign (residue 4 and name HB3) (residue 4 and name HB2) 2.25 0.45 0.45
assign (residue 5 and name HB3) (residue 5 and name HB2) 2.25 0.45 0.45
assign (residue 6 and name HB3) (residue 6 and name HB2) 2.25 0.45 0.45
assign (residue 6 and name HB3) (residue 6 and name HG#) 2.25 0.45 0.45
assign (residue 6 and name HB2) (residue 6 and name HG#) 2.25 0.45 0.45
assign (residue 7 and name HB3) (residue 7 and name HB2) 2.25 0.45 0.45
assign (residue 7 and name HG#) (residue 7 and name HB3) 2.25 0.45 0.45
assign (residue 7 and name HG#) (residue 7 and name HB2) 2.25 0.45 0.45
assign (residue 10 and name HH2) (residue 10 and name HZ2) 2.25 0.45 0.45
assign (residue 10 and name HZ3) (residue 10 and name HH2) 2.25 0.45 0.45
assign (residue 12 and name HB3) (residue 12 and name HB2) 2.25 0.45 0.45
assign (residue 2 and name HB3) (residue 2 and name HD3) 3.1 1.3 0.4
assign (residue 2 and name HB3) (residue 2 and name HD2) 3.1 1.3 0.4
assign (residue 2 and name HB3) (residue 2 and name HG) 3.1 1.3 0.4
assign (residue 2 and name HB2) (residue 2 and name HA) 3.1 1.3 0.4
assign (residue 2 and name HB2) (residue 2 and name HD3) 3.1 1.3 0.4
assign (residue 2 and name HB2) (residue 2 and name HD2) 3.1 1.3 0.4
assign (residue 2 and name HB2) (residue 2 and name HG) 3.1 1.3 0.4
assign (residue 2 and name HB2) (residue 3 and name HN) 3.1 1.3 0.4
assign (residue 2 and name HD3) (residue 2 and name HG) 3.1 1.3 0.4
assign (residue 3 and name HA) (residue 3 and name HN) 3.1 1.3 0.4
assign (residue 3 and name HA) (residue 4 and name HN) 3.1 1.3 0.4
assign (residue 3 and name HB#) (residue 3 and name HN) 3.1 1.3 0.4
assign (residue 3 and name HB#) (residue 4 and name HN) 3.1 1.3 0.4
assign (residue 4 and name HA) (residue 4 and name HB2) 3.1 1.3 0.4
assign (residue 4 and name HA) (residue 4 and name HN) 3.1 1.3 0.4
assign (residue 4 and name HA) (residue 5 and name HN) 3.1 1.3 0.4
assign (residue 4 and name HB3) (residue 4 and name HN) 3.1 1.3 0.4
assign (residue 4 and name HB2) (residue 4 and name HN) 3.1 1.3 0.4
assign (residue 5 and name HB3) (residue 5 and name HN) 3.1 1.3 0.4
assign (residue 5 and name HB2) (residue 5 and name HN) 3.1 1.3 0.4
assign (residue 5 and name HN) (residue 4 and name HN) 3.1 1.3 0.4
assign (residue 6 and name HB3) (residue 6 and name HA) 3.1 1.3 0.4
assign (residue 6 and name HB3) (residue 6 and name HD3) 3.1 1.3 0.4
assign (residue 6 and name HB3) (residue 6 and name HD2) 3.1 1.3 0.4
assign (residue 6 and name HB3) (residue 7 and name HN) 3.1 1.3 0.4
assign (residue 6 and name HD3) (residue 7 and name HN) 3.1 1.3 0.4
assign (residue 6 and name HG#) (residue 6 and name HD3) 3.1 1.3 0.4
assign (residue 6 and name HG#) (residue 6 and name HD2) 3.1 1.3 0.4
assign (residue 7 and name HA) (residue 7 and name HN) 3.1 1.3 0.4
assign (residue 7 and name HB3) (residue 7 and name HD3) 3.1 1.3 0.4
assign (residue 7 and name HB3) (residue 7 and name HD2) 3.1 1.3 0.4
assign (residue 7 and name HB3) (residue 7 and name HE) 3.1 1.3 0.4
assign (residue 7 and name HB3) (residue 7 and name HN) 3.1 1.3 0.4
assign (residue 7 and name HB2) (residue 7 and name HA) 3.1 1.3 0.4
assign (residue 7 and name HB2) (residue 7 and name HD3) 3.1 1.3 0.4
assign (residue 7 and name HB2) (residue 7 and name HD2) 3.1 1.3 0.4
assign (residue 7 and name HB2) (residue 7 and name HN) 3.1 1.3 0.4
assign (residue 7 and name HG#) (residue 7 and name HA) 3.1 1.3 0.4
assign (residue 7 and name HG#) (residue 7 and name HD3) 3.1 1.3 0.4
assign (residue 7 and name HG#) (residue 7 and name HD2) 3.1 1.3 0.4
assign (residue 7 and name HG#) (residue 7 and name HE) 3.1 1.3 0.4
assign (residue 7 and name HG#) (residue 7 and name HN) 3.1 1.3 0.4
assign (residue 8 and name HA) (residue 8 and name HN) 3.1 1.3 0.4
assign (residue 8 and name HA) (residue 9 and name HN) 3.1 1.3 0.4
assign (residue 8 and name HB3) (residue 8 and name HA) 3.1 1.3 0.4
assign (residue 8 and name HB3) (residue 8 and name HN) 3.1 1.3 0.4
assign (residue 8 and name HB2) (residue 8 and name HA) 3.1 1.3 0.4
assign (residue 8 and name HB2) (residue 8 and name HN) 3.1 1.3 0.4
assign (residue 8 and name HN) (residue 7 and name HN) 3.1 1.3 0.4
assign (residue 8 and name HN) (residue 9 and name HN) 3.1 1.3 0.4
assign (residue 9 and name HB#) (residue 9 and name HA) 3.1 1.3 0.4
assign (residue 9 and name HB#) (residue 9 and name HN) 3.1 1.3 0.4
assign (residue 9 and name HA) (residue 12 and name HN) 3.1 1.3 0.4
assign (residue 10 and name HA) (residue 10 and name HN) 3.1 1.3 0.4
assign (residue 10 and name HB3) (residue 10 and name HD1) 3.1 1.3 0.4
assign (residue 10 and name HB3) (residue 10 and name HE3) 3.1 1.3 0.4
assign (residue 10 and name HB3) (residue 10 and name HN) 3.1 1.3 0.4
assign (residue 10 and name HB2) (residue 10 and name HD1) 3.1 1.3 0.4
assign (residue 10 and name HB2) (residue 10 and name HE3) 3.1 1.3 0.4
assign (residue 10 and name HD1) (residue 10 and name HE1) 3.1 1.3 0.4
assign (residue 10 and name HE3) (residue 10 and name HZ3) 3.1 1.3 0.4
assign (residue 10 and name HN) (residue 9 and name HN) 3.1 1.3 0.4
assign (residue 10 and name HN) (residue 11 and name HN) 3.1 1.3 0.4
assign (residue 10 and name HZ2) (residue 10 and name HE1) 3.1 1.3 0.4
assign (residue 11 and name HA) (residue 12 and name HN) 3.1 1.3 0.4
assign (residue 11 and name HB#) (residue 11 and name HA) 3.1 1.3 0.4
assign (residue 11 and name HB#) (residue 11 and name HD#) 3.1 1.3 0.4
assign (residue 11 and name HB#) (residue 11 and name HN) 3.1 1.3 0.4
assign (residue 11 and name HD#) (residue 11 and name HE) 3.1 1.3 0.4
assign (residue 11 and name HG3) (residue 11 and name HB#) 3.1 1.3 0.4
assign (residue 11 and name HG3) (residue 11 and name HD#) 3.1 1.3 0.4
assign (residue 11 and name HG2) (residue 11 and name HB#) 3.1 1.3 0.4
assign (residue 11 and name HG2) (residue 11 and name HD#) 3.1 1.3 0.4
assign (residue 11 and name HN) (residue 12 and name HN) 3.1 1.3 0.4
assign (residue 12 and name HB3) (residue 12 and name HN) 3.1 1.3 0.4
assign (residue 12 and name HB2) (residue 12 and name HN) 3.1 1.3 0.4
assign (residue 2 and name HA) (residue 3 and name HN) 4.5 2.7 1
assign (residue 2 and name HB3) (residue 2 and name HA) 4.5 2.7 1
assign (residue 2 and name HB3) (residue 3 and name HN) 4.5 2.7 1
assign (residue 2 and name HB3) (residue 8 and name HN) 4.5 2.7 1
assign (residue 2 and name HB3) (residue 10 and name HE3) 4.5 2.7 1
assign (residue 2 and name HB2) (residue 8 and name HN) 4.5 2.7 1
assign (residue 2 and name HD3) (residue 2 and name HA) 4.5 2.7 1
assign (residue 2 and name HD2) (residue 10 and name HE3) 4.5 2.7 1
assign (residue 3 and name HB#) (residue 5 and name HN) 4.5 2.7 1
assign (residue 4 and name HB3) (residue 3 and name HN) 4.5 2.7 1
assign (residue 4 and name HB3) (residue 4 and name HA) 4.5 2.7 1
assign (residue 4 and name HB3) (residue 5 and name HN) 4.5 2.7 1
assign (residue 4 and name HN) (residue 3 and name HN) 4.5 2.7 1
assign (residue 5 and name HA) (residue 5 and name HN) 4.5 2.7 1
assign (residue 5 and name HB3) (residue 4 and name HN) 4.5 2.7 1
assign (residue 5 and name HB3) (residue 6 and name HD3) 4.5 2.7 1
assign (residue 5 and name HB3) (residue 6 and name HD2) 4.5 2.7 1
assign (residue 5 and name HB2) (residue 3 and name HN) 4.5 2.7 1
assign (residue 6 and name HA) (residue 5 and name HN) 4.5 2.7 1
assign (residue 6 and name HA) (residue 7 and name HN) 4.5 2.7 1
assign (residue 6 and name HB2) (residue 6 and name HA) 4.5 2.7 1
assign (residue 6 and name HB2) (residue 6 and name HD3) 4.5 2.7 1
assign (residue 6 and name HB2) (residue 6 and name HD2) 4.5 2.7 1
assign (residue 6 and name HD3) (residue 5 and name HN) 4.5 2.7 1
assign (residue 6 and name HD2) (residue 5 and name HN) 4.5 2.7 1
assign (residue 6 and name HD2) (residue 7 and name HN) 4.5 2.7 1
assign (residue 6 and name HG#) (residue 6 and name HA) 4.5 2.7 1
assign (residue 7 and name HA) (residue 8 and name HN) 4.5 2.7 1
assign (residue 7 and name HB3) (residue 7 and name HA) 4.5 2.7 1
assign (residue 7 and name HB3) (residue 8 and name HN) 4.5 2.7 1
assign (residue 7 and name HB2) (residue 7 and name HE) 4.5 2.7 1
assign (residue 7 and name HB2) (residue 8 and name HN) 4.5 2.7 1
assign (residue 7 and name HD3) (residue 7 and name HE) 4.5 2.7 1
assign (residue 7 and name HD3) (residue 7 and name HN) 4.5 2.7 1
assign (residue 7 and name HD2) (residue 7 and name HE) 4.5 2.7 1
assign (residue 7 and name HD2) (residue 7 and name HN) 4.5 2.7 1
assign (residue 7 and name HE) (residue 7 and name HN) 4.5 2.7 1
assign (residue 7 and name HG#) (residue 8 and name HN) 4.5 2.7 1
assign (residue 8 and name HA) (residue 10 and name HD1) 4.5 2.7 1
assign (residue 8 and name HB3) (residue 7 and name HN) 4.5 2.7 1
assign (residue 8 and name HB3) (residue 9 and name HA) 4.5 2.7 1
assign (residue 8 and name HA) (residue 12 and name HN) 4.5 2.7 1
assign (residue 9 and name HA) (residue 9 and name HN) 4.5 2.7 1
assign (residue 9 and name HA) (residue 10 and name HN) 4.5 2.7 1
assign (residue 9 and name HA) (residue 12 and name HN) 4.5 2.7 1
assign (residue 9 and name HB#) (residue 5 and name HN) 4.5 2.7 1
assign (residue 9 and name HB#) (residue 6 and name HA) 4.5 2.7 1
assign (residue 9 and name HB#) (residue 6 and name HD2) 4.5 2.7 1
assign (residue 9 and name HB#) (residue 10 and name HD1) 4.5 2.7 1
assign (residue 9 and name HB#) (residue 10 and name HN) 4.5 2.7 1
assign (residue 10 and name HA) (residue 10 and name HD1) 4.5 2.7 1
assign (residue 10 and name HA) (residue 10 and name HE3) 4.5 2.7 1
assign (residue 10 and name HA) (residue 11 and name HN) 4.5 2.7 1
assign (residue 10 and name HB3) (residue 11 and name HN) 4.5 2.7 1
assign (residue 10 and name HB2) (residue 10 and name HN) 4.5 2.7 1
assign (residue 10 and name HB2) (residue 11 and name HN) 4.5 2.7 1
assign (residue 10 and name HD1) (residue 10 and name HN) 4.5 2.7 1
assign (residue 10 and name HE3) (residue 12 and name HN) 4.5 2.7 1
assign (residue 10 and name HZ3) (residue 10 and name HZ2) 4.5 2.7 1
assign (residue 11 and name HA) (residue 10 and name HE3) 4.5 2.7 1
assign (residue 11 and name HA) (residue 11 and name HN) 4.5 2.7 1
assign (residue 11 and name HB#) (residue 10 and name HE3) 4.5 2.7 1
assign (residue 11 and name HB#) (residue 11 and name HE) 4.5 2.7 1
assign (residue 11 and name HB#) (residue 12 and name HN) 4.5 2.7 1
assign (residue 11 and name HD#) (residue 11 and name HA) 4.5 2.7 1
assign (residue 11 and name HG3) (residue 11 and name HA) 4.5 2.7 1
assign (residue 11 and name HG3) (residue 11 and name HE) 4.5 2.7 1
assign (residue 11 and name HG2) (residue 11 and name HA) 4.5 2.7 1
assign (residue 11 and name HG2) (residue 11 and name HE) 4.5 2.7 1
assign (residue 12 and name HA) (residue 12 and name HN) 4.5 2.7 1
assign (residue 12 and name HB3) (residue 3 and name HA) 4.5 2.7 1
assign (residue 12 and name HB3) (residue 12 and name HA) 4.5 2.7 1
assign (residue 12 and name HB2) (residue 12 and name HA) 4.5 2.7 1

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           HT1      GLY   1  61.430  -5.966  26.943
    2    H2   GLY   1           HT2      GLY   1  61.069  -5.067  28.281
    3    H3   GLY   1           HT3      GLY   1  62.573  -5.698  28.100
    4    HA2  GLY   1           HA1      GLY   1  62.430  -3.286  27.632
    5    HA3  GLY   1           HA2      GLY   1  63.128  -4.290  26.346
    6    H    81S   2           HN       81S   2  60.314  -2.351  27.305
    7    HA   81S   2           HA       81S   2  59.175  -2.713  24.535
    8    H5   81S   2           HB2      81S   2  57.802  -2.106  27.158
    9    H6   81S   2           HB3      81S   2  57.010  -2.296  25.611
   10    H7   81S   2           HG       81S   2  56.526  -4.212  26.794
   11    H8   81S   2           HD2      81S   2  57.543  -4.293  24.322
   12    H9   81S   2           HD3      81S   2  58.806  -5.227  25.087
   13    H    ALA   3           HN       ALA   3  60.793  -0.459  26.220
   14    HA   ALA   3           HA       ALA   3  59.417   1.906  26.260
   15    HB1  ALA   3           HB1      ALA   3  61.631   3.004  26.157
   16    HB2  ALA   3           HB2      ALA   3  62.350   1.513  25.512
   17    HB3  ALA   3           HB3      ALA   3  61.680   1.547  27.163
   18    H    SER   4           HN       SER   4  60.377   0.392  23.274
   19    HA   SER   4           HA       SER   4  59.756   2.842  21.672
   20    HB2  SER   4           HB2      SER   4  62.038   1.962  21.497
   21    HB3  SER   4           HB3      SER   4  61.405   0.374  21.081
   22    HG   SER   4           HG       SER   4  61.842   1.154  19.198
   23    H    ASP   5           HN       ASP   5  58.107   0.283  22.846
   24    HA   ASP   5           HA       ASP   5  56.407  -0.079  20.416
   25    HB2  ASP   5           HB2      ASP   5  57.980  -1.977  20.770
   26    HB3  ASP   5           HB3      ASP   5  57.287  -2.247  22.369
   27    HA   PRO   6           HA       PRO   6  53.920   1.786  23.918
   28    HB2  PRO   6           HB2      PRO   6  52.308   2.188  21.377
   29    HB3  PRO   6           HB3      PRO   6  52.382   3.231  22.837
   30    HG2  PRO   6           HG2      PRO   6  53.916   3.852  20.718
   31    HG3  PRO   6           HG3      PRO   6  54.653   3.863  22.356
   32    HD2  PRO   6           HD2      PRO   6  54.848   1.750  20.211
   33    HD3  PRO   6           HD3      PRO   6  56.110   2.373  21.309
   34    H    ARG   7           HN       ARG   7  52.713  -0.438  21.372
   35    HA   ARG   7           HA       ARG   7  50.359  -1.385  22.739
   36    HB2  ARG   7           HB2      ARG   7  52.080  -2.687  20.607
   37    HB3  ARG   7           HB3      ARG   7  50.493  -3.268  21.087
   38    HG2  ARG   7           HG2      ARG   7  51.015  -0.573  19.770
   39    HG3  ARG   7           HG3      ARG   7  50.505  -2.040  18.967
   40    HD2  ARG   7           HD2      ARG   7  48.512  -0.816  19.222
   41    HD3  ARG   7           HD3      ARG   7  48.439  -2.059  20.465
   42    HE   ARG   7           HE       ARG   7  48.489  -0.414  22.101
   43   HH11  ARG   7          HH12      ARG   7  49.432   1.175  19.091
   44   HH12  ARG   7          HH11      ARG   7  49.815   2.666  19.917
   45   HH21  ARG   7          HH22      ARG   7  48.888   1.507  23.047
   46   HH22  ARG   7          HH21      ARG   7  49.372   2.894  22.114
   47    H    CYS   8           HN       CYS   8  53.554  -1.993  23.618
   48    HA   CYS   8           HA       CYS   8  52.587  -4.129  25.498
   49    HB2  CYS   8           HB2      CYS   8  54.198  -4.820  23.593
   50    HB3  CYS   8           HB3      CYS   8  55.388  -3.827  24.389
   51    H    ALA   9           HN       ALA   9  54.295  -1.080  25.039
   52    HA   ALA   9           HA       ALA   9  55.840  -1.020  27.300
   53    HB1  ALA   9           HB1      ALA   9  54.359   1.340  26.079
   54    HB2  ALA   9           HB2      ALA   9  55.819   0.609  25.383
   55    HB3  ALA   9           HB3      ALA   9  55.896   1.391  26.967
   56    H    TRP  10           HN       TRP  10  52.348  -0.478  27.208
   57    HA   TRP  10           HA       TRP  10  51.834   0.576  29.769
   58    HB2  TRP  10           HB2      TRP  10  49.651  -0.537  29.538
   59    HB3  TRP  10           HB3      TRP  10  50.125   0.305  28.075
   60    HD1  TRP  10           HD1      TRP  10  50.348  -1.073  25.888
   61    HE1  TRP  10           HE1      TRP  10  49.982  -3.519  25.216
   62    HE3  TRP  10           HE3      TRP  10  49.667  -3.114  30.544
   63    HZ2  TRP  10           HZ2      TRP  10  49.518  -6.043  26.519
   64    HZ3  TRP  10           HZ3      TRP  10  49.276  -5.554  30.794
   65    HH2  TRP  10           HH2      TRP  10  49.220  -7.029  28.799
   66    H    ARG  11           HN       ARG  11  52.990  -2.688  28.992
   67    HA   ARG  11           HA       ARG  11  52.380  -3.735  31.676
   68    HB2  ARG  11           HB2      ARG  11  52.339  -5.059  29.465
   69    HB3  ARG  11           HB3      ARG  11  54.102  -5.026  29.535
   70    HG2  ARG  11           HG2      ARG  11  53.910  -6.120  31.859
   71    HG3  ARG  11           HG3      ARG  11  52.172  -6.268  31.550
   72    HD2  ARG  11           HD2      ARG  11  52.743  -7.583  29.473
   73    HD3  ARG  11           HD3      ARG  11  54.449  -7.469  29.933
   74    HE   ARG  11           HE       ARG  11  52.477  -8.684  31.828
   75   HH11  ARG  11          HH11      ARG  11  55.425  -9.205  29.949
   76   HH12  ARG  11          HH12      ARG  11  55.511 -10.881  30.448
   77   HH21  ARG  11          HH22      ARG  11  52.721 -10.796  32.431
   78   HH22  ARG  11          HH21      ARG  11  54.025 -11.736  31.748
   79    H    CYS  12           HN       CYS  12  55.085  -2.240  30.069
   80    HA   CYS  12           HA       CYS  12  57.030  -3.255  32.100
   81    HB2  CYS  12           HB2      CYS  12  57.478  -2.269  29.279
   82    HB3  CYS  12           HB3      CYS  12  58.689  -2.984  30.332
   83    HN1  NH2  13           HN1      NH2  13  59.003  -1.953  32.534
   84    HN2  NH2  13           HN2      NH2  13  58.805  -0.214  32.703
  Start of MODEL    2
    1    H1   GLY   1           HT1      GLY   1  63.662  -5.179  28.021
    2    H2   GLY   1           HT2      GLY   1  63.626  -4.892  26.401
    3    H3   GLY   1           HT3      GLY   1  62.416  -5.758  27.112
    4    HA2  GLY   1           HA1      GLY   1  61.757  -3.835  28.417
    5    HA3  GLY   1           HA2      GLY   1  63.002  -2.902  27.560
    6    H    81S   2           HN       81S   2  60.408  -2.048  27.483
    7    HA   81S   2           HA       81S   2  59.394  -2.802  24.733
    8    H5   81S   2           HB2      81S   2  57.889  -1.969  27.224
    9    H6   81S   2           HB3      81S   2  57.148  -2.338  25.689
   10    H7   81S   2           HG       81S   2  56.690  -4.150  27.023
   11    H8   81S   2           HD2      81S   2  57.789  -4.402  24.581
   12    H9   81S   2           HD3      81S   2  59.012  -5.279  25.454
   13    H    ALA   3           HN       ALA   3  60.792  -0.220  26.110
   14    HA   ALA   3           HA       ALA   3  58.996   1.885  25.986
   15    HB1  ALA   3           HB1      ALA   3  60.943   3.369  26.010
   16    HB2  ALA   3           HB2      ALA   3  61.981   2.055  25.420
   17    HB3  ALA   3           HB3      ALA   3  61.242   1.954  27.039
   18    H    SER   4           HN       SER   4  60.748   0.568  23.173
   19    HA   SER   4           HA       SER   4  59.822   2.728  21.381
   20    HB2  SER   4           HB2      SER   4  61.433   0.208  20.891
   21    HB3  SER   4           HB3      SER   4  60.855   1.262  19.598
   22    HG   SER   4           HG       SER   4  62.690   1.830  21.667
   23    H    ASP   5           HN       ASP   5  58.272   0.053  22.700
   24    HA   ASP   5           HA       ASP   5  56.355  -0.172  20.420
   25    HB2  ASP   5           HB2      ASP   5  57.762  -2.168  20.643
   26    HB3  ASP   5           HB3      ASP   5  57.315  -2.317  22.342
   27    HA   PRO   6           HA       PRO   6  54.131   1.835  24.056
   28    HB2  PRO   6           HB2      PRO   6  52.506   2.343  21.541
   29    HB3  PRO   6           HB3      PRO   6  52.609   3.349  23.024
   30    HG2  PRO   6           HG2      PRO   6  54.167   3.971  20.926
   31    HG3  PRO   6           HG3      PRO   6  54.905   3.913  22.563
   32    HD2  PRO   6           HD2      PRO   6  55.038   1.877  20.352
   33    HD3  PRO   6           HD3      PRO   6  56.309   2.398  21.494
   34    H    ARG   7           HN       ARG   7  52.868  -0.337  21.524
   35    HA   ARG   7           HA       ARG   7  50.458  -1.266  22.742
   36    HB2  ARG   7           HB2      ARG   7  52.505  -2.587  20.924
   37    HB3  ARG   7           HB3      ARG   7  50.965  -3.333  21.315
   38    HG2  ARG   7           HG2      ARG   7  51.082  -0.572  20.019
   39    HG3  ARG   7           HG3      ARG   7  51.198  -2.062  19.098
   40    HD2  ARG   7           HD2      ARG   7  48.952  -1.567  18.954
   41    HD3  ARG   7           HD3      ARG   7  49.017  -2.812  20.187
   42    HE   ARG   7           HE       ARG   7  48.854   0.129  20.865
   43   HH11  ARG   7          HH11      ARG   7  47.358  -3.077  21.269
   44   HH12  ARG   7          HH12      ARG   7  46.067  -2.378  22.212
   45   HH21  ARG   7          HH21      ARG   7  47.216   0.851  21.956
   46   HH22  ARG   7          HH22      ARG   7  45.948  -0.207  22.557
   47    H    CYS   8           HN       CYS   8  53.822  -2.235  23.476
   48    HA   CYS   8           HA       CYS   8  52.770  -4.148  25.528
   49    HB2  CYS   8           HB2      CYS   8  54.458  -4.884  23.739
   50    HB3  CYS   8           HB3      CYS   8  55.614  -3.862  24.535
   51    H    ALA   9           HN       ALA   9  54.537  -1.105  25.072
   52    HA   ALA   9           HA       ALA   9  55.871  -0.901  27.437
   53    HB1  ALA   9           HB1      ALA   9  55.783   0.818  25.584
   54    HB2  ALA   9           HB2      ALA   9  55.584   1.557  27.183
   55    HB3  ALA   9           HB3      ALA   9  54.158   1.296  26.163
   56    H    TRP  10           HN       TRP  10  52.481  -0.460  26.887
   57    HA   TRP  10           HA       TRP  10  50.881  -0.079  28.953
   58    HB2  TRP  10           HB2      TRP  10  50.797  -1.385  26.652
   59    HB3  TRP  10           HB3      TRP  10  51.057  -2.811  27.617
   60    HD1  TRP  10           HD1      TRP  10  48.552  -0.659  26.198
   61    HE1  TRP  10           HE1      TRP  10  46.179  -1.427  26.863
   62    HE3  TRP  10           HE3      TRP  10  49.740  -3.728  30.134
   63    HZ2  TRP  10           HZ2      TRP  10  44.964  -2.965  28.962
   64    HZ3  TRP  10           HZ3      TRP  10  47.953  -4.831  31.445
   65    HH2  TRP  10           HH2      TRP  10  45.562  -4.467  30.873
   66    H    ARG  11           HN       ARG  11  53.051  -2.953  28.903
   67    HA   ARG  11           HA       ARG  11  52.206  -3.869  31.609
   68    HB2  ARG  11           HB2      ARG  11  52.189  -5.460  29.780
   69    HB3  ARG  11           HB3      ARG  11  53.829  -5.022  29.299
   70    HG2  ARG  11           HG2      ARG  11  54.739  -6.006  31.351
   71    HG3  ARG  11           HG3      ARG  11  53.105  -6.442  31.893
   72    HD2  ARG  11           HD2      ARG  11  52.841  -7.989  30.057
   73    HD3  ARG  11           HD3      ARG  11  54.294  -7.373  29.248
   74    HE   ARG  11           HE       ARG  11  55.391  -8.186  31.544
   75   HH11  ARG  11          HH12      ARG  11  53.175 -10.014  29.485
   76   HH12  ARG  11          HH11      ARG  11  53.799 -11.537  30.072
   77   HH21  ARG  11          HH22      ARG  11  56.125 -10.159  32.215
   78   HH22  ARG  11          HH21      ARG  11  55.387 -11.607  31.597
   79    H    CYS  12           HN       CYS  12  54.896  -2.252  30.093
   80    HA   CYS  12           HA       CYS  12  56.780  -3.136  32.222
   81    HB2  CYS  12           HB2      CYS  12  57.252  -2.075  29.417
   82    HB3  CYS  12           HB3      CYS  12  58.491  -2.608  30.549
   83    HN1  NH2  13           HN1      NH2  13  55.063  -0.250  31.495
   84    HN2  NH2  13           HN2      NH2  13  56.197   0.851  32.263
  Start of MODEL    3
    1    H1   GLY   1           HT1      GLY   1  64.293  -3.104  26.019
    2    H2   GLY   1           HT2      GLY   1  64.755  -2.447  27.453
    3    H3   GLY   1           HT3      GLY   1  63.971  -1.525  26.338
    4    HA2  GLY   1           HA1      GLY   1  62.823  -3.812  27.802
    5    HA3  GLY   1           HA2      GLY   1  62.471  -2.103  28.111
    6    H    81S   2           HN       81S   2  60.469  -1.753  27.483
    7    HA   81S   2           HA       81S   2  59.522  -2.665  24.764
    8    H5   81S   2           HB2      81S   2  57.770  -1.926  27.106
    9    H6   81S   2           HB3      81S   2  57.294  -2.634  25.601
   10    H7   81S   2           HG       81S   2  57.006  -4.286  27.198
   11    H8   81S   2           HD2      81S   2  59.557  -4.736  25.614
   12    H9   81S   2           HD3      81S   2  58.692  -6.014  26.454
   13    H    ALA   3           HN       ALA   3  60.546   0.092  26.372
   14    HA   ALA   3           HA       ALA   3  58.565   1.971  26.019
   15    HB1  ALA   3           HB1      ALA   3  61.582   2.376  25.760
   16    HB2  ALA   3           HB2      ALA   3  60.640   2.359  27.268
   17    HB3  ALA   3           HB3      ALA   3  60.393   3.654  26.089
   18    H    SER   4           HN       SER   4  60.692   0.763  23.443
   19    HA   SER   4           HA       SER   4  59.792   2.674  21.427
   20    HB2  SER   4           HB2      SER   4  61.312   0.055  21.234
   21    HB3  SER   4           HB3      SER   4  60.969   1.116  19.869
   22    HG   SER   4           HG       SER   4  62.983   1.544  20.697
   23    H    ASP   5           HN       ASP   5  58.307  -0.147  22.746
   24    HA   ASP   5           HA       ASP   5  56.550  -0.549  20.363
   25    HB2  ASP   5           HB2      ASP   5  58.036  -2.417  21.015
   26    HB3  ASP   5           HB3      ASP   5  57.343  -2.422  22.631
   27    HA   PRO   6           HA       PRO   6  54.304   1.848  23.700
   28    HB2  PRO   6           HB2      PRO   6  52.157   2.645  22.059
   29    HB3  PRO   6           HB3      PRO   6  53.678   3.538  22.321
   30    HG2  PRO   6           HG2      PRO   6  52.987   1.637  20.069
   31    HG3  PRO   6           HG3      PRO   6  53.784   3.243  19.970
   32    HD2  PRO   6           HD2      PRO   6  55.260   1.021  19.871
   33    HD3  PRO   6           HD3      PRO   6  55.816   2.381  20.892
   34    H    ARG   7           HN       ARG   7  52.686  -0.404  21.438
   35    HA   ARG   7           HA       ARG   7  50.378  -1.021  23.021
   36    HB2  ARG   7           HB2      ARG   7  51.950  -2.712  21.038
   37    HB3  ARG   7           HB3      ARG   7  50.340  -3.113  21.610
   38    HG2  ARG   7           HG2      ARG   7  50.832  -0.466  20.179
   39    HG3  ARG   7           HG3      ARG   7  50.678  -1.967  19.283
   40    HD2  ARG   7           HD2      ARG   7  48.549  -0.876  19.321
   41    HD3  ARG   7           HD3      ARG   7  48.467  -2.381  20.225
   42    HE   ARG   7           HE       ARG   7  48.977   0.099  21.785
   43   HH11  ARG   7          HH12      ARG   7  46.540  -2.304  21.020
   44   HH12  ARG   7          HH11      ARG   7  45.282  -1.340  21.798
   45   HH21  ARG   7          HH21      ARG   7  47.508   0.997  22.992
   46   HH22  ARG   7          HH22      ARG   7  45.886   0.341  23.145
   47    H    CYS   8           HN       CYS   8  53.676  -2.068  23.390
   48    HA   CYS   8           HA       CYS   8  52.999  -4.217  25.327
   49    HB2  CYS   8           HB2      CYS   8  54.621  -4.394  23.309
   50    HB3  CYS   8           HB3      CYS   8  55.668  -3.308  24.172
   51    H    ALA   9           HN       ALA   9  54.651  -1.061  25.052
   52    HA   ALA   9           HA       ALA   9  55.976  -0.914  27.438
   53    HB1  ALA   9           HB1      ALA   9  56.030   0.800  25.650
   54    HB2  ALA   9           HB2      ALA   9  55.726   1.535  27.236
   55    HB3  ALA   9           HB3      ALA   9  54.391   1.309  26.091
   56    H    TRP  10           HN       TRP  10  52.539  -0.425  26.932
   57    HA   TRP  10           HA       TRP  10  51.258   0.134  29.234
   58    HB2  TRP  10           HB2      TRP  10  50.899  -1.650  26.915
   59    HB3  TRP  10           HB3      TRP  10  50.136  -2.322  28.341
   60    HD1  TRP  10           HD1      TRP  10  49.372  -0.052  25.636
   61    HE1  TRP  10           HE1      TRP  10  47.321   1.438  26.205
   62    HE3  TRP  10           HE3      TRP  10  49.168  -0.878  30.656
   63    HZ2  TRP  10           HZ2      TRP  10  45.665   1.963  28.521
   64    HZ3  TRP  10           HZ3      TRP  10  47.333   0.118  32.041
   65    HH2  TRP  10           HH2      TRP  10  45.588   1.528  30.973
   66    H    ARG  11           HN       ARG  11  52.785  -3.096  28.730
   67    HA   ARG  11           HA       ARG  11  52.145  -3.816  31.570
   68    HB2  ARG  11           HB2      ARG  11  51.167  -5.050  29.557
   69    HB3  ARG  11           HB3      ARG  11  52.783  -5.698  29.269
   70    HG2  ARG  11           HG2      ARG  11  52.737  -6.898  31.376
   71    HG3  ARG  11           HG3      ARG  11  51.318  -5.987  31.935
   72    HD2  ARG  11           HD2      ARG  11  49.941  -6.991  30.162
   73    HD3  ARG  11           HD3      ARG  11  51.328  -7.887  29.543
   74    HE   ARG  11           HE       ARG  11  49.786  -8.392  32.019
   75   HH11  ARG  11          HH12      ARG  11  52.718  -9.293  30.248
   76   HH12  ARG  11          HH11      ARG  11  52.858 -10.801  31.115
   77   HH21  ARG  11          HH22      ARG  11  49.996 -10.386  32.988
   78   HH22  ARG  11          HH21      ARG  11  51.419 -11.351  32.659
   79    H    CYS  12           HN       CYS  12  54.538  -2.355  30.288
   80    HA   CYS  12           HA       CYS  12  56.758  -4.183  30.592
   81    HB2  CYS  12           HB2      CYS  12  56.546  -2.220  28.998
   82    HB3  CYS  12           HB3      CYS  12  56.980  -1.188  30.353
   83    HN1  NH2  13           HN1      NH2  13  58.362  -4.421  32.151
   84    HN2  NH2  13           HN2      NH2  13  58.282  -3.629  33.712
  Start of MODEL    4
    1    H1   GLY   1           HT1      GLY   1  63.398  -4.676  25.884
    2    H2   GLY   1           HT2      GLY   1  62.225  -5.744  26.334
    3    H3   GLY   1           HT3      GLY   1  63.479  -5.408  27.347
    4    HA2  GLY   1           HA1      GLY   1  61.498  -4.288  28.102
    5    HA3  GLY   1           HA2      GLY   1  62.739  -3.125  27.583
    6    H    81S   2           HN       81S   2  60.141  -2.201  27.638
    7    HA   81S   2           HA       81S   2  59.027  -2.613  24.868
    8    H5   81S   2           HB2      81S   2  57.466  -2.092  27.399
    9    H6   81S   2           HB3      81S   2  56.840  -2.515  25.849
   10    H7   81S   2           HG       81S   2  56.598  -4.382  27.285
   11    H8   81S   2           HD2      81S   2  57.723  -4.390  24.738
   12    H9   81S   2           HD3      81S   2  58.818  -5.428  25.606
   13    H    ALA   3           HN       ALA   3  60.373  -0.199  26.665
   14    HA   ALA   3           HA       ALA   3  58.757   2.023  26.548
   15    HB1  ALA   3           HB1      ALA   3  61.004   1.929  27.565
   16    HB2  ALA   3           HB2      ALA   3  60.848   3.337  26.501
   17    HB3  ALA   3           HB3      ALA   3  61.748   1.908  25.952
   18    H    SER   4           HN       SER   4  60.415   0.636  23.735
   19    HA   SER   4           HA       SER   4  59.303   2.724  21.924
   20    HB2  SER   4           HB2      SER   4  61.496   0.686  21.455
   21    HB3  SER   4           HB3      SER   4  60.957   1.924  20.306
   22    HG   SER   4           HG       SER   4  62.789   2.585  21.409
   23    H    ASP   5           HN       ASP   5  57.943   0.103  23.068
   24    HA   ASP   5           HA       ASP   5  56.763  -0.744  20.443
   25    HB2  ASP   5           HB2      ASP   5  58.116  -2.506  21.606
   26    HB3  ASP   5           HB3      ASP   5  56.995  -2.438  22.959
   27    HA   PRO   6           HA       PRO   6  53.868   1.987  22.772
   28    HB2  PRO   6           HB2      PRO   6  52.500   1.685  20.077
   29    HB3  PRO   6           HB3      PRO   6  52.576   3.124  21.143
   30    HG2  PRO   6           HG2      PRO   6  54.273   2.922  19.056
   31    HG3  PRO   6           HG3      PRO   6  54.887   3.459  20.653
   32    HD2  PRO   6           HD2      PRO   6  55.125   0.745  19.357
   33    HD3  PRO   6           HD3      PRO   6  56.313   1.655  20.326
   34    H    ARG   7           HN       ARG   7  52.987  -0.994  21.074
   35    HA   ARG   7           HA       ARG   7  50.360  -1.284  22.358
   36    HB2  ARG   7           HB2      ARG   7  52.100  -3.193  20.772
   37    HB3  ARG   7           HB3      ARG   7  50.461  -3.555  21.325
   38    HG2  ARG   7           HG2      ARG   7  49.494  -1.841  19.926
   39    HG3  ARG   7           HG3      ARG   7  51.085  -1.192  19.507
   40    HD2  ARG   7           HD2      ARG   7  50.358  -2.509  17.662
   41    HD3  ARG   7           HD3      ARG   7  51.689  -3.343  18.432
   42    HE   ARG   7           HE       ARG   7  50.001  -4.859  19.521
   43   HH11  ARG   7          HH11      ARG   7  48.768  -3.111  16.684
   44   HH12  ARG   7          HH12      ARG   7  47.804  -4.526  16.255
   45   HH21  ARG   7          HH21      ARG   7  48.651  -6.430  18.898
   46   HH22  ARG   7          HH22      ARG   7  47.743  -6.251  17.386
   47    H    CYS   8           HN       CYS   8  53.636  -2.115  23.360
   48    HA   CYS   8           HA       CYS   8  52.549  -3.939  25.479
   49    HB2  CYS   8           HB2      CYS   8  54.190  -4.803  23.691
   50    HB3  CYS   8           HB3      CYS   8  55.388  -3.762  24.435
   51    H    ALA   9           HN       ALA   9  54.061  -0.852  24.943
   52    HA   ALA   9           HA       ALA   9  55.751  -0.643  27.027
   53    HB1  ALA   9           HB1      ALA   9  55.379   1.811  26.891
   54    HB2  ALA   9           HB2      ALA   9  53.854   1.535  26.025
   55    HB3  ALA   9           HB3      ALA   9  55.400   1.075  25.279
   56    H    TRP  10           HN       TRP  10  52.219  -0.208  27.396
   57    HA   TRP  10           HA       TRP  10  51.943   0.498  30.056
   58    HB2  TRP  10           HB2      TRP  10  49.823  -0.603  29.976
   59    HB3  TRP  10           HB3      TRP  10  50.121   0.176  28.435
   60    HD1  TRP  10           HD1      TRP  10  50.387  -1.424  26.308
   61    HE1  TRP  10           HE1      TRP  10  49.857  -3.880  25.860
   62    HE3  TRP  10           HE3      TRP  10  49.748  -3.013  31.145
   63    HZ2  TRP  10           HZ2      TRP  10  49.198  -6.236  27.386
   64    HZ3  TRP  10           HZ3      TRP  10  49.183  -5.389  31.610
   65    HH2  TRP  10           HH2      TRP  10  48.900  -7.001  29.740
   66    H    ARG  11           HN       ARG  11  52.936  -2.689  28.888
   67    HA   ARG  11           HA       ARG  11  52.472  -4.113  31.389
   68    HB2  ARG  11           HB2      ARG  11  52.367  -5.019  29.001
   69    HB3  ARG  11           HB3      ARG  11  54.132  -4.954  28.974
   70    HG2  ARG  11           HG2      ARG  11  54.229  -6.584  30.837
   71    HG3  ARG  11           HG3      ARG  11  52.452  -6.586  30.929
   72    HD2  ARG  11           HD2      ARG  11  52.350  -7.394  28.577
   73    HD3  ARG  11           HD3      ARG  11  54.121  -7.435  28.515
   74    HE   ARG  11           HE       ARG  11  53.500  -9.018  30.709
   75   HH11  ARG  11          HH12      ARG  11  52.717  -9.246  27.239
   76   HH12  ARG  11          HH11      ARG  11  52.247 -10.922  27.454
   77   HH21  ARG  11          HH22      ARG  11  53.173 -11.283  30.629
   78   HH22  ARG  11          HH21      ARG  11  52.623 -11.971  29.114
   79    H    CYS  12           HN       CYS  12  55.018  -2.196  30.113
   80    HA   CYS  12           HA       CYS  12  56.851  -2.931  32.376
   81    HB2  CYS  12           HB2      CYS  12  57.586  -2.198  29.527
   82    HB3  CYS  12           HB3      CYS  12  58.713  -2.637  30.807
   83    HN1  NH2  13           HN1      NH2  13  58.750  -0.821  31.793
   84    HN2  NH2  13           HN2      NH2  13  57.943   0.698  32.125
  Start of MODEL    5
    1    H1   GLY   1           HT1      GLY   1  62.164  -6.419  26.637
    2    H2   GLY   1           HT2      GLY   1  63.529  -5.871  27.364
    3    H3   GLY   1           HT3      GLY   1  63.250  -5.532  25.778
    4    HA2  GLY   1           HA1      GLY   1  61.680  -4.538  28.063
    5    HA3  GLY   1           HA2      GLY   1  62.801  -3.578  27.070
    6    H    81S   2           HN       81S   2  60.139  -2.903  27.477
    7    HA   81S   2           HA       81S   2  58.875  -3.325  24.782
    8    H5   81S   2           HB2      81S   2  57.263  -3.101  27.352
    9    H6   81S   2           HB3      81S   2  56.737  -3.513  25.785
   10    H7   81S   2           HG       81S   2  56.632  -5.439  27.214
   11    H8   81S   2           HD2      81S   2  58.349  -5.395  24.769
   12    H9   81S   2           HD3      81S   2  58.473  -6.815  25.744
   13    H    ALA   3           HN       ALA   3  60.008  -0.958  26.929
   14    HA   ALA   3           HA       ALA   3  58.124   1.080  26.901
   15    HB1  ALA   3           HB1      ALA   3  60.056   2.576  27.265
   16    HB2  ALA   3           HB2      ALA   3  61.161   1.301  26.709
   17    HB3  ALA   3           HB3      ALA   3  60.212   1.080  28.200
   18    H    SER   4           HN       SER   4  60.395   0.315  24.220
   19    HA   SER   4           HA       SER   4  59.485   2.600  22.617
   20    HB2  SER   4           HB2      SER   4  61.392   0.372  21.878
   21    HB3  SER   4           HB3      SER   4  61.082   1.860  20.963
   22    HG   SER   4           HG       SER   4  62.850   2.291  22.168
   23    H    ASP   5           HN       ASP   5  57.823  -0.119  23.286
   24    HA   ASP   5           HA       ASP   5  56.795  -0.545  20.514
   25    HB2  ASP   5           HB2      ASP   5  57.844  -2.434  21.823
   26    HB3  ASP   5           HB3      ASP   5  56.504  -2.338  22.953
   27    HA   PRO   6           HA       PRO   6  53.624   2.202  22.327
   28    HB2  PRO   6           HB2      PRO   6  52.326   1.467  19.681
   29    HB3  PRO   6           HB3      PRO   6  52.329   3.051  20.523
   30    HG2  PRO   6           HG2      PRO   6  54.078   2.621  18.527
   31    HG3  PRO   6           HG3      PRO   6  54.660   3.374  20.050
   32    HD2  PRO   6           HD2      PRO   6  54.935   0.501  19.142
   33    HD3  PRO   6           HD3      PRO   6  56.126   1.560  19.953
   34    H    ARG   7           HN       ARG   7  53.005  -1.048  21.186
   35    HA   ARG   7           HA       ARG   7  50.345  -1.218  22.521
   36    HB2  ARG   7           HB2      ARG   7  51.826  -3.067  20.631
   37    HB3  ARG   7           HB3      ARG   7  50.204  -3.355  21.257
   38    HG2  ARG   7           HG2      ARG   7  49.299  -1.457  20.099
   39    HG3  ARG   7           HG3      ARG   7  50.909  -0.866  19.647
   40    HD2  ARG   7           HD2      ARG   7  51.246  -3.021  18.353
   41    HD3  ARG   7           HD3      ARG   7  49.546  -3.382  18.657
   42    HE   ARG   7           HE       ARG   7  48.900  -1.658  17.178
   43   HH11  ARG   7          HH12      ARG   7  52.364  -1.266  17.673
   44   HH12  ARG   7          HH11      ARG   7  52.519  -0.256  16.260
   45   HH21  ARG   7          HH21      ARG   7  49.169  -0.607  15.381
   46   HH22  ARG   7          HH22      ARG   7  50.721   0.090  14.941
   47    H    CYS   8           HN       CYS   8  53.617  -1.995  23.312
   48    HA   CYS   8           HA       CYS   8  52.663  -3.880  25.448
   49    HB2  CYS   8           HB2      CYS   8  54.144  -4.666  23.458
   50    HB3  CYS   8           HB3      CYS   8  55.432  -3.834  24.249
   51    H    ALA   9           HN       ALA   9  54.113  -0.821  24.834
   52    HA   ALA   9           HA       ALA   9  55.812  -0.639  26.969
   53    HB1  ALA   9           HB1      ALA   9  55.730   0.964  25.108
   54    HB2  ALA   9           HB2      ALA   9  55.590   1.839  26.634
   55    HB3  ALA   9           HB3      ALA   9  54.142   1.554  25.648
   56    H    TRP  10           HN       TRP  10  52.418  -0.897  27.239
   57    HA   TRP  10           HA       TRP  10  51.942   0.295  29.795
   58    HB2  TRP  10           HB2      TRP  10  50.013  -1.064  29.855
   59    HB3  TRP  10           HB3      TRP  10  50.210  -0.543  28.195
   60    HD1  TRP  10           HD1      TRP  10  50.427  -2.409  26.376
   61    HE1  TRP  10           HE1      TRP  10  50.187  -4.970  26.380
   62    HE3  TRP  10           HE3      TRP  10  50.546  -3.236  31.431
   63    HZ2  TRP  10           HZ2      TRP  10  50.043  -7.093  28.315
   64    HZ3  TRP  10           HZ3      TRP  10  50.342  -5.547  32.329
   65    HH2  TRP  10           HH2      TRP  10  50.099  -7.477  30.783
   66    H    ARG  11           HN       ARG  11  53.437  -2.815  28.904
   67    HA   ARG  11           HA       ARG  11  53.085  -3.976  31.554
   68    HB2  ARG  11           HB2      ARG  11  52.993  -5.157  29.276
   69    HB3  ARG  11           HB3      ARG  11  54.753  -5.073  29.249
   70    HG2  ARG  11           HG2      ARG  11  54.808  -6.377  31.403
   71    HG3  ARG  11           HG3      ARG  11  53.038  -6.420  31.386
   72    HD2  ARG  11           HD2      ARG  11  53.190  -7.602  29.133
   73    HD3  ARG  11           HD3      ARG  11  54.941  -7.725  29.400
   74    HE   ARG  11           HE       ARG  11  53.132  -8.771  31.517
   75   HH11  ARG  11          HH11      ARG  11  55.133  -9.828  28.738
   76   HH12  ARG  11          HH12      ARG  11  54.877 -11.488  29.252
   77   HH21  ARG  11          HH22      ARG  11  53.282 -10.897  32.117
   78   HH22  ARG  11          HH21      ARG  11  53.940 -12.038  30.955
   79    H    CYS  12           HN       CYS  12  55.785  -2.574  29.831
   80    HA   CYS  12           HA       CYS  12  57.625  -3.161  32.139
   81    HB2  CYS  12           HB2      CYS  12  58.379  -2.914  29.223
   82    HB3  CYS  12           HB3      CYS  12  59.387  -3.487  30.542
   83    HN1  NH2  13           HN1      NH2  13  59.068  -1.531  32.873
   84    HN2  NH2  13           HN2      NH2  13  59.069   0.083  32.201
  Start of MODEL    6
    1    H1   GLY   1           HT1      GLY   1  64.278  -4.728  26.589
    2    H2   GLY   1           HT2      GLY   1  63.821  -3.535  25.557
    3    H3   GLY   1           HT3      GLY   1  63.393  -5.109  25.258
    4    HA2  GLY   1           HA1      GLY   1  62.059  -5.160  27.267
    5    HA3  GLY   1           HA2      GLY   1  62.449  -3.440  27.489
    6    H    81S   2           HN       81S   2  60.424  -2.617  27.253
    7    HA   81S   2           HA       81S   2  58.931  -3.163  24.690
    8    H5   81S   2           HB2      81S   2  57.824  -2.297  27.386
    9    H6   81S   2           HB3      81S   2  56.920  -2.746  25.971
   10    H7   81S   2           HG       81S   2  56.681  -4.470  27.516
   11    H8   81S   2           HD2      81S   2  57.605  -4.876  24.938
   12    H9   81S   2           HD3      81S   2  58.685  -5.894  25.835
   13    H    ALA   3           HN       ALA   3  60.662  -0.683  26.100
   14    HA   ALA   3           HA       ALA   3  58.822   1.424  26.258
   15    HB1  ALA   3           HB1      ALA   3  61.013   1.317  27.397
   16    HB2  ALA   3           HB2      ALA   3  60.776   2.850  26.549
   17    HB3  ALA   3           HB3      ALA   3  61.832   1.607  25.849
   18    H    SER   4           HN       SER   4  60.550   0.384  23.352
   19    HA   SER   4           HA       SER   4  59.610   2.756  21.838
   20    HB2  SER   4           HB2      SER   4  61.401   0.459  21.001
   21    HB3  SER   4           HB3      SER   4  60.961   1.861  20.003
   22    HG   SER   4           HG       SER   4  62.487   1.784  22.397
   23    H    ASP   5           HN       ASP   5  58.075   0.002  22.743
   24    HA   ASP   5           HA       ASP   5  56.349  -0.064  20.293
   25    HB2  ASP   5           HB2      ASP   5  57.540  -2.133  20.413
   26    HB3  ASP   5           HB3      ASP   5  57.187  -2.320  22.137
   27    HA   PRO   6           HA       PRO   6  53.974   1.812  23.766
   28    HB2  PRO   6           HB2      PRO   6  52.177   2.307  21.395
   29    HB3  PRO   6           HB3      PRO   6  52.533   3.382  22.787
   30    HG2  PRO   6           HG2      PRO   6  53.777   3.787  20.428
   31    HG3  PRO   6           HG3      PRO   6  54.721   3.856  21.952
   32    HD2  PRO   6           HD2      PRO   6  54.508   1.582  19.966
   33    HD3  PRO   6           HD3      PRO   6  55.950   2.221  20.813
   34    H    ARG   7           HN       ARG   7  52.917  -0.589  21.414
   35    HA   ARG   7           HA       ARG   7  50.471  -1.403  22.724
   36    HB2  ARG   7           HB2      ARG   7  52.273  -2.742  20.678
   37    HB3  ARG   7           HB3      ARG   7  50.774  -3.463  21.278
   38    HG2  ARG   7           HG2      ARG   7  49.486  -1.489  20.508
   39    HG3  ARG   7           HG3      ARG   7  50.970  -0.767  19.859
   40    HD2  ARG   7           HD2      ARG   7  51.260  -2.708  18.346
   41    HD3  ARG   7           HD3      ARG   7  49.817  -3.462  19.021
   42    HE   ARG   7           HE       ARG   7  48.423  -1.884  17.922
   43   HH11  ARG   7          HH11      ARG   7  51.767  -1.088  17.202
   44   HH12  ARG   7          HH12      ARG   7  51.311  -0.212  15.764
   45   HH21  ARG   7          HH22      ARG   7  47.924  -0.800  16.216
   46   HH22  ARG   7          HH21      ARG   7  49.133  -0.023  15.192
   47    H    CYS   8           HN       CYS   8  53.804  -2.115  23.592
   48    HA   CYS   8           HA       CYS   8  52.635  -3.823  25.769
   49    HB2  CYS   8           HB2      CYS   8  54.194  -4.978  24.083
   50    HB3  CYS   8           HB3      CYS   8  55.475  -4.012  24.757
   51    H    ALA   9           HN       ALA   9  54.377  -0.884  25.058
   52    HA   ALA   9           HA       ALA   9  56.135  -0.730  27.107
   53    HB1  ALA   9           HB1      ALA   9  55.869   0.931  25.277
   54    HB2  ALA   9           HB2      ALA   9  55.990   1.726  26.854
   55    HB3  ALA   9           HB3      ALA   9  54.406   1.568  26.070
   56    H    TRP  10           HN       TRP  10  52.677  -0.118  27.458
   57    HA   TRP  10           HA       TRP  10  52.500   0.831  30.123
   58    HB2  TRP  10           HB2      TRP  10  50.174   0.068  29.922
   59    HB3  TRP  10           HB3      TRP  10  50.695   0.917  28.478
   60    HD1  TRP  10           HD1      TRP  10  50.724  -0.399  26.210
   61    HE1  TRP  10           HE1      TRP  10  50.014  -2.764  25.461
   62    HE3  TRP  10           HE3      TRP  10  49.754  -2.456  30.791
   63    HZ2  TRP  10           HZ2      TRP  10  48.981  -5.156  26.677
   64    HZ3  TRP  10           HZ3      TRP  10  48.887  -4.780  30.967
   65    HH2  TRP  10           HH2      TRP  10  48.486  -6.128  28.927
   66    H    ARG  11           HN       ARG  11  53.109  -2.461  28.975
   67    HA   ARG  11           HA       ARG  11  52.448  -3.804  31.492
   68    HB2  ARG  11           HB2      ARG  11  52.437  -4.806  29.128
   69    HB3  ARG  11           HB3      ARG  11  54.207  -4.833  29.236
   70    HG2  ARG  11           HG2      ARG  11  54.024  -6.226  31.306
   71    HG3  ARG  11           HG3      ARG  11  52.264  -6.199  31.140
   72    HD2  ARG  11           HD2      ARG  11  54.190  -7.360  29.083
   73    HD3  ARG  11           HD3      ARG  11  53.395  -8.306  30.336
   74    HE   ARG  11           HE       ARG  11  52.247  -7.459  27.827
   75   HH11  ARG  11          HH12      ARG  11  51.255  -8.236  31.130
   76   HH12  ARG  11          HH11      ARG  11  49.735  -8.873  30.563
   77   HH21  ARG  11          HH22      ARG  11  50.400  -8.242  27.244
   78   HH22  ARG  11          HH21      ARG  11  49.198  -8.816  28.398
   79    H    CYS  12           HN       CYS  12  55.220  -2.211  30.150
   80    HA   CYS  12           HA       CYS  12  56.949  -3.009  32.461
   81    HB2  CYS  12           HB2      CYS  12  57.716  -2.300  29.614
   82    HB3  CYS  12           HB3      CYS  12  58.838  -2.731  30.903
   83    HN1  NH2  13           HN1      NH2  13  55.185  -0.849  32.889
   84    HN2  NH2  13           HN2      NH2  13  56.107   0.631  32.866
  Start of MODEL    7
    1    H1   GLY   1           HT1      GLY   1  64.238  -3.790  27.027
    2    H2   GLY   1           HT2      GLY   1  63.543  -2.732  25.957
    3    H3   GLY   1           HT3      GLY   1  63.447  -4.368  25.713
    4    HA2  GLY   1           HA1      GLY   1  62.096  -4.661  27.644
    5    HA3  GLY   1           HA2      GLY   1  62.200  -2.905  27.930
    6    H    81S   2           HN       81S   2  60.195  -2.135  27.505
    7    HA   81S   2           HA       81S   2  59.004  -2.725  24.807
    8    H5   81S   2           HB2      81S   2  57.476  -2.338  27.407
    9    H6   81S   2           HB3      81S   2  56.798  -2.662  25.850
   10    H7   81S   2           HG       81S   2  56.581  -4.601  27.130
   11    H8   81S   2           HD2      81S   2  57.732  -4.460  24.592
   12    H9   81S   2           HD3      81S   2  58.795  -5.568  25.416
   13    H    ALA   3           HN       ALA   3  60.210  -0.226  26.652
   14    HA   ALA   3           HA       ALA   3  58.360   1.834  26.573
   15    HB1  ALA   3           HB1      ALA   3  60.329   3.358  26.539
   16    HB2  ALA   3           HB2      ALA   3  61.369   1.989  26.085
   17    HB3  ALA   3           HB3      ALA   3  60.533   2.005  27.657
   18    H    SER   4           HN       SER   4  60.374   0.789  23.828
   19    HA   SER   4           HA       SER   4  59.089   2.741  21.992
   20    HB2  SER   4           HB2      SER   4  61.460   0.937  21.460
   21    HB3  SER   4           HB3      SER   4  60.858   2.254  20.445
   22    HG   SER   4           HG       SER   4  62.538   3.087  21.521
   23    H    ASP   5           HN       ASP   5  57.886   0.103  23.072
   24    HA   ASP   5           HA       ASP   5  56.902  -0.957  20.452
   25    HB2  ASP   5           HB2      ASP   5  58.079  -2.631  21.833
   26    HB3  ASP   5           HB3      ASP   5  56.960  -2.343  23.156
   27    HA   PRO   6           HA       PRO   6  53.990   2.036  22.206
   28    HB2  PRO   6           HB2      PRO   6  52.574   1.500  19.593
   29    HB3  PRO   6           HB3      PRO   6  52.852   3.063  20.419
   30    HG2  PRO   6           HG2      PRO   6  54.458   2.317  18.367
   31    HG3  PRO   6           HG3      PRO   6  55.173   3.046  19.840
   32    HD2  PRO   6           HD2      PRO   6  55.046   0.137  19.038
   33    HD3  PRO   6           HD3      PRO   6  56.377   1.067  19.773
   34    H    ARG   7           HN       ARG   7  53.018  -1.183  21.253
   35    HA   ARG   7           HA       ARG   7  50.556  -0.961  22.962
   36    HB2  ARG   7           HB2      ARG   7  51.061  -2.899  20.684
   37    HB3  ARG   7           HB3      ARG   7  49.598  -2.805  21.648
   38    HG2  ARG   7           HG2      ARG   7  50.550  -0.561  19.812
   39    HG3  ARG   7           HG3      ARG   7  49.431  -1.835  19.357
   40    HD2  ARG   7           HD2      ARG   7  48.144   0.111  19.874
   41    HD3  ARG   7           HD3      ARG   7  47.844  -1.118  21.108
   42    HE   ARG   7           HE       ARG   7  49.935   0.893  21.721
   43   HH11  ARG   7          HH12      ARG   7  46.547   0.135  22.274
   44   HH12  ARG   7          HH11      ARG   7  46.625   0.849  23.886
   45   HH21  ARG   7          HH22      ARG   7  49.895   1.802  23.642
   46   HH22  ARG   7          HH21      ARG   7  48.407   1.885  24.570
   47    H    CYS   8           HN       CYS   8  53.600  -1.889  23.457
   48    HA   CYS   8           HA       CYS   8  52.625  -3.918  25.448
   49    HB2  CYS   8           HB2      CYS   8  54.213  -4.709  23.550
   50    HB3  CYS   8           HB3      CYS   8  55.442  -3.772  24.367
   51    H    ALA   9           HN       ALA   9  54.198  -0.836  24.933
   52    HA   ALA   9           HA       ALA   9  55.922  -0.734  27.027
   53    HB1  ALA   9           HB1      ALA   9  55.573   1.001  25.230
   54    HB2  ALA   9           HB2      ALA   9  55.741   1.692  26.850
   55    HB3  ALA   9           HB3      ALA   9  54.142   1.574  26.101
   56    H    TRP  10           HN       TRP  10  52.425  -0.035  27.345
   57    HA   TRP  10           HA       TRP  10  52.131   0.668  30.004
   58    HB2  TRP  10           HB2      TRP  10  49.948  -0.420  29.862
   59    HB3  TRP  10           HB3      TRP  10  50.303   0.428  28.375
   60    HD1  TRP  10           HD1      TRP  10  50.616  -1.009  26.168
   61    HE1  TRP  10           HE1      TRP  10  50.010  -3.415  25.521
   62    HE3  TRP  10           HE3      TRP  10  49.714  -2.895  30.844
   63    HZ2  TRP  10           HZ2      TRP  10  49.116  -5.816  26.851
   64    HZ3  TRP  10           HZ3      TRP  10  48.955  -5.244  31.120
   65    HH2  TRP  10           HH2      TRP  10  48.653  -6.710  29.139
   66    H    ARG  11           HN       ARG  11  52.921  -2.601  28.833
   67    HA   ARG  11           HA       ARG  11  52.354  -3.951  31.342
   68    HB2  ARG  11           HB2      ARG  11  52.221  -4.876  28.947
   69    HB3  ARG  11           HB3      ARG  11  53.986  -4.994  28.992
   70    HG2  ARG  11           HG2      ARG  11  53.814  -6.495  30.978
   71    HG3  ARG  11           HG3      ARG  11  52.049  -6.330  30.937
   72    HD2  ARG  11           HD2      ARG  11  52.024  -7.364  28.672
   73    HD3  ARG  11           HD3      ARG  11  53.792  -7.530  28.744
   74    HE   ARG  11           HE       ARG  11  52.262  -8.738  30.979
   75   HH11  ARG  11          HH11      ARG  11  53.894  -9.531  27.919
   76   HH12  ARG  11          HH12      ARG  11  53.998 -11.207  28.398
   77   HH21  ARG  11          HH21      ARG  11  52.466 -10.738  31.434
   78   HH22  ARG  11          HH22      ARG  11  53.313 -11.880  30.396
   79    H    CYS  12           HN       CYS  12  55.146  -2.300  30.096
   80    HA   CYS  12           HA       CYS  12  56.850  -3.484  32.278
   81    HB2  CYS  12           HB2      CYS  12  57.698  -2.524  29.542
   82    HB3  CYS  12           HB3      CYS  12  58.760  -3.175  30.785
   83    HN1  NH2  13           HN1      NH2  13  58.709  -2.135  32.983
   84    HN2  NH2  13           HN2      NH2  13  58.487  -0.391  33.060
  Start of MODEL    8
    1    H1   GLY   1           HT1      GLY   1  63.227  -4.940  26.228
    2    H2   GLY   1           HT2      GLY   1  63.955  -4.419  27.610
    3    H3   GLY   1           HT3      GLY   1  63.715  -3.368  26.355
    4    HA2  GLY   1           HA1      GLY   1  61.623  -4.650  27.972
    5    HA3  GLY   1           HA2      GLY   1  62.108  -2.940  28.057
    6    H    81S   2           HN       81S   2  60.004  -2.268  27.508
    7    HA   81S   2           HA       81S   2  59.036  -2.887  24.720
    8    H5   81S   2           HB2      81S   2  57.432  -2.537  27.281
    9    H6   81S   2           HB3      81S   2  56.788  -2.848  25.703
   10    H7   81S   2           HG       81S   2  56.591  -4.885  26.853
   11    H8   81S   2           HD2      81S   2  58.931  -4.924  24.929
   12    H9   81S   2           HD3      81S   2  58.568  -6.344  25.828
   13    H    ALA   3           HN       ALA   3  60.093  -0.359  26.553
   14    HA   ALA   3           HA       ALA   3  58.287   1.742  26.226
   15    HB1  ALA   3           HB1      ALA   3  61.337   1.800  26.171
   16    HB2  ALA   3           HB2      ALA   3  60.310   1.804  27.625
   17    HB3  ALA   3           HB3      ALA   3  60.280   3.188  26.518
   18    H    SER   4           HN       SER   4  60.500   0.477  23.738
   19    HA   SER   4           HA       SER   4  59.920   2.616  21.815
   20    HB2  SER   4           HB2      SER   4  61.385  -0.021  21.470
   21    HB3  SER   4           HB3      SER   4  61.318   1.296  20.297
   22    HG   SER   4           HG       SER   4  63.206   1.342  21.430
   23    H    ASP   5           HN       ASP   5  57.961   0.074  22.821
   24    HA   ASP   5           HA       ASP   5  56.830  -0.381  20.092
   25    HB2  ASP   5           HB2      ASP   5  57.885  -2.342  21.075
   26    HB3  ASP   5           HB3      ASP   5  56.838  -2.205  22.482
   27    HA   PRO   6           HA       PRO   6  53.554   2.070  21.867
   28    HB2  PRO   6           HB2      PRO   6  52.079   0.994  19.447
   29    HB3  PRO   6           HB3      PRO   6  52.084   2.660  20.108
   30    HG2  PRO   6           HG2      PRO   6  53.650   2.067  17.993
   31    HG3  PRO   6           HG3      PRO   6  54.331   3.023  19.350
   32    HD2  PRO   6           HD2      PRO   6  54.650   0.067  18.788
   33    HD3  PRO   6           HD3      PRO   6  55.874   1.279  19.284
   34    H    ARG   7           HN       ARG   7  53.240  -1.444  21.580
   35    HA   ARG   7           HA       ARG   7  50.478  -1.307  22.766
   36    HB2  ARG   7           HB2      ARG   7  51.512  -3.264  20.679
   37    HB3  ARG   7           HB3      ARG   7  49.950  -3.356  21.479
   38    HG2  ARG   7           HG2      ARG   7  50.891  -1.244  19.519
   39    HG3  ARG   7           HG3      ARG   7  49.633  -2.445  19.315
   40    HD2  ARG   7           HD2      ARG   7  49.571   0.055  21.022
   41    HD3  ARG   7           HD3      ARG   7  48.564  -0.315  19.643
   42    HE   ARG   7           HE       ARG   7  48.074  -0.983  22.386
   43   HH11  ARG   7          HH12      ARG   7  47.375  -2.228  19.152
   44   HH12  ARG   7          HH11      ARG   7  46.075  -3.231  19.780
   45   HH21  ARG   7          HH22      ARG   7  46.400  -2.284  23.025
   46   HH22  ARG   7          HH21      ARG   7  45.519  -3.216  21.824
   47    H    CYS   8           HN       CYS   8  53.596  -2.179  23.411
   48    HA   CYS   8           HA       CYS   8  52.546  -3.884  25.626
   49    HB2  CYS   8           HB2      CYS   8  54.583  -5.112  25.608
   50    HB3  CYS   8           HB3      CYS   8  53.670  -5.353  24.140
   51    H    ALA   9           HN       ALA   9  54.267  -0.958  24.924
   52    HA   ALA   9           HA       ALA   9  55.866  -0.637  27.187
   53    HB1  ALA   9           HB1      ALA   9  55.661   0.959  25.306
   54    HB2  ALA   9           HB2      ALA   9  55.421   1.766  26.864
   55    HB3  ALA   9           HB3      ALA   9  54.021   1.387  25.834
   56    H    TRP  10           HN       TRP  10  52.289  -0.523  27.093
   57    HA   TRP  10           HA       TRP  10  51.668   0.503  29.611
   58    HB2  TRP  10           HB2      TRP  10  49.621  -0.659  29.435
   59    HB3  TRP  10           HB3      TRP  10  50.079  -0.205  27.808
   60    HD1  TRP  10           HD1      TRP  10  50.521  -2.177  26.091
   61    HE1  TRP  10           HE1      TRP  10  50.150  -4.724  26.130
   62    HE3  TRP  10           HE3      TRP  10  49.620  -2.780  31.086
   63    HZ2  TRP  10           HZ2      TRP  10  49.493  -6.747  28.083
   64    HZ3  TRP  10           HZ3      TRP  10  49.117  -5.032  32.011
   65    HH2  TRP  10           HH2      TRP  10  49.042  -7.015  30.519
   66    H    ARG  11           HN       ARG  11  52.978  -2.703  28.890
   67    HA   ARG  11           HA       ARG  11  52.324  -3.860  31.493
   68    HB2  ARG  11           HB2      ARG  11  52.271  -4.933  29.165
   69    HB3  ARG  11           HB3      ARG  11  54.025  -4.997  29.241
   70    HG2  ARG  11           HG2      ARG  11  53.913  -6.509  31.179
   71    HG3  ARG  11           HG3      ARG  11  52.141  -6.334  31.251
   72    HD2  ARG  11           HD2      ARG  11  51.917  -7.313  29.022
   73    HD3  ARG  11           HD3      ARG  11  53.678  -7.349  28.831
   74    HE   ARG  11           HE       ARG  11  52.863  -8.897  31.137
   75   HH11  ARG  11          HH12      ARG  11  52.906  -9.036  27.603
   76   HH12  ARG  11          HH11      ARG  11  53.229 -10.768  27.620
   77   HH21  ARG  11          HH22      ARG  11  53.101 -11.199  30.951
   78   HH22  ARG  11          HH21      ARG  11  53.305 -11.875  29.338
   79    H    CYS  12           HN       CYS  12  55.043  -2.188  30.228
   80    HA   CYS  12           HA       CYS  12  56.895  -3.399  32.265
   81    HB2  CYS  12           HB2      CYS  12  57.433  -2.380  29.464
   82    HB3  CYS  12           HB3      CYS  12  58.643  -3.036  30.566
   83    HN1  NH2  13           HN1      NH2  13  55.802  -0.255  30.930
   84    HN2  NH2  13           HN2      NH2  13  56.811   0.689  32.003
  Start of MODEL    9
    1    H1   GLY   1           HT1      GLY   1  63.146  -7.168  26.177
    2    H2   GLY   1           HT2      GLY   1  62.849  -6.821  24.602
    3    H3   GLY   1           HT3      GLY   1  61.657  -7.449  25.550
    4    HA2  GLY   1           HA1      GLY   1  61.633  -5.492  26.921
    5    HA3  GLY   1           HA2      GLY   1  62.893  -4.789  25.892
    6    H    81S   2           HN       81S   2  60.179  -3.921  26.533
    7    HA   81S   2           HA       81S   2  59.040  -3.573  23.749
    8    H5   81S   2           HB2      81S   2  57.439  -3.501  26.280
    9    H6   81S   2           HB3      81S   2  56.835  -3.585  24.666
   10    H7   81S   2           HG       81S   2  56.268  -5.612  25.689
   11    H8   81S   2           HD2      81S   2  58.401  -5.632  23.624
   12    H9   81S   2           HD3      81S   2  58.158  -7.160  24.429
   13    H    ALA   3           HN       ALA   3  60.652  -1.977  25.905
   14    HA   ALA   3           HA       ALA   3  59.151  -0.112  27.248
   15    HB1  ALA   3           HB1      ALA   3  62.006   0.241  26.244
   16    HB2  ALA   3           HB2      ALA   3  61.516  -0.698  27.673
   17    HB3  ALA   3           HB3      ALA   3  61.266   1.052  27.640
   18    H    SER   4           HN       SER   4  59.886   0.194  23.840
   19    HA   SER   4           HA       SER   4  58.593   2.895  23.815
   20    HB2  SER   4           HB2      SER   4  60.912   1.929  22.093
   21    HB3  SER   4           HB3      SER   4  59.997   3.430  21.836
   22    HG   SER   4           HG       SER   4  61.808   2.796  23.893
   23    H    ASP   5           HN       ASP   5  57.749  -0.148  23.260
   24    HA   ASP   5           HA       ASP   5  56.906  -0.021  20.494
   25    HB2  ASP   5           HB2      ASP   5  57.714  -2.059  21.711
   26    HB3  ASP   5           HB3      ASP   5  56.210  -2.072  22.603
   27    HA   PRO   6           HA       PRO   6  53.091   2.104  21.372
   28    HB2  PRO   6           HB2      PRO   6  52.145   0.756  18.840
   29    HB3  PRO   6           HB3      PRO   6  51.950   2.465  19.336
   30    HG2  PRO   6           HG2      PRO   6  53.878   1.794  17.572
   31    HG3  PRO   6           HG3      PRO   6  54.254   2.923  18.915
   32    HD2  PRO   6           HD2      PRO   6  54.849  -0.044  18.722
   33    HD3  PRO   6           HD3      PRO   6  55.893   1.296  19.281
   34    H    ARG   7           HN       ARG   7  53.076  -1.421  21.188
   35    HA   ARG   7           HA       ARG   7  50.253  -1.490  22.236
   36    HB2  ARG   7           HB2      ARG   7  51.571  -3.308  20.195
   37    HB3  ARG   7           HB3      ARG   7  50.043  -3.667  20.989
   38    HG2  ARG   7           HG2      ARG   7  50.555  -1.233  19.237
   39    HG3  ARG   7           HG3      ARG   7  49.768  -2.707  18.704
   40    HD2  ARG   7           HD2      ARG   7  48.710  -0.875  20.904
   41    HD3  ARG   7           HD3      ARG   7  48.205  -0.857  19.232
   42    HE   ARG   7           HE       ARG   7  47.841  -3.259  21.015
   43   HH11  ARG   7          HH12      ARG   7  46.439  -1.118  18.593
   44   HH12  ARG   7          HH11      ARG   7  44.973  -2.068  18.513
   45   HH21  ARG   7          HH22      ARG   7  45.998  -4.307  20.922
   46   HH22  ARG   7          HH21      ARG   7  44.717  -3.855  19.807
   47    H    CYS   8           HN       CYS   8  53.424  -2.158  23.020
   48    HA   CYS   8           HA       CYS   8  52.450  -3.933  25.185
   49    HB2  CYS   8           HB2      CYS   8  54.293  -5.438  24.878
   50    HB3  CYS   8           HB3      CYS   8  53.139  -5.481  23.577
   51    H    ALA   9           HN       ALA   9  53.749  -1.021  24.852
   52    HA   ALA   9           HA       ALA   9  55.845  -1.278  26.901
   53    HB1  ALA   9           HB1      ALA   9  54.591   1.207  25.676
   54    HB2  ALA   9           HB2      ALA   9  55.982   0.348  24.985
   55    HB3  ALA   9           HB3      ALA   9  56.126   1.103  26.573
   56    H    TRP  10           HN       TRP  10  52.527  -1.439  27.199
   57    HA   TRP  10           HA       TRP  10  51.995   0.455  29.214
   58    HB2  TRP  10           HB2      TRP  10  50.046  -1.114  29.765
   59    HB3  TRP  10           HB3      TRP  10  50.134  -0.328  28.209
   60    HD1  TRP  10           HD1      TRP  10  50.501  -1.782  26.054
   61    HE1  TRP  10           HE1      TRP  10  49.997  -4.218  25.511
   62    HE3  TRP  10           HE3      TRP  10  50.025  -3.553  30.829
   63    HZ2  TRP  10           HZ2      TRP  10  49.357  -6.642  26.974
   64    HZ3  TRP  10           HZ3      TRP  10  49.452  -5.936  31.224
   65    HH2  TRP  10           HH2      TRP  10  49.128  -7.482  29.315
   66    H    ARG  11           HN       ARG  11  52.912  -3.015  29.780
   67    HA   ARG  11           HA       ARG  11  53.493  -2.264  32.627
   68    HB2  ARG  11           HB2      ARG  11  52.723  -4.783  31.216
   69    HB3  ARG  11           HB3      ARG  11  53.882  -4.971  32.525
   70    HG2  ARG  11           HG2      ARG  11  51.250  -3.485  32.856
   71    HG3  ARG  11           HG3      ARG  11  51.441  -5.220  33.138
   72    HD2  ARG  11           HD2      ARG  11  53.128  -4.787  34.883
   73    HD3  ARG  11           HD3      ARG  11  52.976  -3.038  34.617
   74    HE   ARG  11           HE       ARG  11  50.385  -4.108  35.090
   75   HH11  ARG  11          HH12      ARG  11  53.286  -3.704  37.079
   76   HH12  ARG  11          HH11      ARG  11  52.319  -3.946  38.541
   77   HH21  ARG  11          HH22      ARG  11  49.346  -3.655  36.892
   78   HH22  ARG  11          HH21      ARG  11  50.170  -3.625  38.433
   79    H    CYS  12           HN       CYS  12  55.210  -3.323  29.705
   80    HA   CYS  12           HA       CYS  12  57.623  -4.020  31.094
   81    HB2  CYS  12           HB2      CYS  12  57.220  -3.136  28.253
   82    HB3  CYS  12           HB3      CYS  12  58.690  -3.873  28.888
   83    HN1  NH2  13           HN1      NH2  13  59.603  -2.905  31.397
   84    HN2  NH2  13           HN2      NH2  13  59.712  -1.152  31.255
  Start of MODEL   10
    1    H1   GLY   1           HT1      GLY   1  63.539  -5.623  27.359
    2    H2   GLY   1           HT2      GLY   1  63.485  -4.872  25.895
    3    H3   GLY   1           HT3      GLY   1  62.348  -6.004  26.291
    4    HA2  GLY   1           HA1      GLY   1  61.511  -4.601  28.059
    5    HA3  GLY   1           HA2      GLY   1  62.703  -3.372  27.569
    6    H    81S   2           HN       81S   2  59.801  -3.065  27.593
    7    HA   81S   2           HA       81S   2  59.034  -3.218  24.692
    8    H5   81S   2           HB2      81S   2  57.231  -3.118  27.140
    9    H6   81S   2           HB3      81S   2  56.741  -3.300  25.495
   10    H7   81S   2           HG       81S   2  56.494  -5.405  26.594
   11    H8   81S   2           HD2      81S   2  58.573  -5.204  24.426
   12    H9   81S   2           HD3      81S   2  58.394  -6.711  25.242
   13    H    ALA   3           HN       ALA   3  59.956  -0.925  26.836
   14    HA   ALA   3           HA       ALA   3  58.412   1.274  26.900
   15    HB1  ALA   3           HB1      ALA   3  61.370   1.193  26.134
   16    HB2  ALA   3           HB2      ALA   3  60.736   1.059  27.780
   17    HB3  ALA   3           HB3      ALA   3  60.523   2.568  26.880
   18    H    SER   4           HN       SER   4  60.190   0.303  23.956
   19    HA   SER   4           HA       SER   4  59.356   2.747  22.510
   20    HB2  SER   4           HB2      SER   4  61.247   0.527  21.688
   21    HB3  SER   4           HB3      SER   4  61.057   2.108  20.913
   22    HG   SER   4           HG       SER   4  61.998   3.095  22.599
   23    H    ASP   5           HN       ASP   5  57.768  -0.068  23.001
   24    HA   ASP   5           HA       ASP   5  57.047  -0.584  20.174
   25    HB2  ASP   5           HB2      ASP   5  57.935  -2.418  21.506
   26    HB3  ASP   5           HB3      ASP   5  56.602  -2.254  22.641
   27    HA   PRO   6           HA       PRO   6  53.305   1.780  20.808
   28    HB2  PRO   6           HB2      PRO   6  52.340  -0.041  18.584
   29    HB3  PRO   6           HB3      PRO   6  52.076   1.723  18.779
   30    HG2  PRO   6           HG2      PRO   6  54.032   0.851  17.144
   31    HG3  PRO   6           HG3      PRO   6  54.369   2.191  18.289
   32    HD2  PRO   6           HD2      PRO   6  55.095  -0.737  18.540
   33    HD3  PRO   6           HD3      PRO   6  56.047   0.728  18.952
   34    H    ARG   7           HN       ARG   7  53.179  -1.724  21.306
   35    HA   ARG   7           HA       ARG   7  50.400  -1.445  22.394
   36    HB2  ARG   7           HB2      ARG   7  51.107  -2.725  19.924
   37    HB3  ARG   7           HB3      ARG   7  50.690  -3.995  21.071
   38    HG2  ARG   7           HG2      ARG   7  48.540  -2.868  21.558
   39    HG3  ARG   7           HG3      ARG   7  48.960  -1.557  20.440
   40    HD2  ARG   7           HD2      ARG   7  48.996  -3.127  18.562
   41    HD3  ARG   7           HD3      ARG   7  48.722  -4.488  19.650
   42    HE   ARG   7           HE       ARG   7  46.460  -3.812  19.999
   43   HH11  ARG   7          HH12      ARG   7  47.988  -1.502  17.799
   44   HH12  ARG   7          HH11      ARG   7  46.474  -1.130  17.039
   45   HH21  ARG   7          HH21      ARG   7  44.573  -3.305  18.899
   46   HH22  ARG   7          HH22      ARG   7  44.584  -1.926  17.830
   47    H    CYS   8           HN       CYS   8  53.369  -2.094  23.355
   48    HA   CYS   8           HA       CYS   8  52.311  -3.721  25.587
   49    HB2  CYS   8           HB2      CYS   8  54.268  -5.176  25.561
   50    HB3  CYS   8           HB3      CYS   8  53.226  -5.406  24.179
   51    H    ALA   9           HN       ALA   9  53.893  -0.871  24.859
   52    HA   ALA   9           HA       ALA   9  55.974  -0.812  26.832
   53    HB1  ALA   9           HB1      ALA   9  55.733   0.792  24.931
   54    HB2  ALA   9           HB2      ALA   9  55.886   1.598  26.501
   55    HB3  ALA   9           HB3      ALA   9  54.300   1.477  25.724
   56    H    TRP  10           HN       TRP  10  52.466  -0.327  27.080
   57    HA   TRP  10           HA       TRP  10  52.259   0.665  29.720
   58    HB2  TRP  10           HB2      TRP  10  50.048  -0.404  29.740
   59    HB3  TRP  10           HB3      TRP  10  50.348   0.538  28.291
   60    HD1  TRP  10           HD1      TRP  10  50.026  -0.621  26.035
   61    HE1  TRP  10           HE1      TRP  10  49.381  -2.974  25.230
   62    HE3  TRP  10           HE3      TRP  10  50.243  -3.126  30.515
   63    HZ2  TRP  10           HZ2      TRP  10  49.228  -5.623  26.326
   64    HZ3  TRP  10           HZ3      TRP  10  49.885  -5.575  30.589
   65    HH2  TRP  10           HH2      TRP  10  49.419  -6.846  28.501
   66    H    ARG  11           HN       ARG  11  53.157  -2.621  28.727
   67    HA   ARG  11           HA       ARG  11  52.713  -3.803  31.360
   68    HB2  ARG  11           HB2      ARG  11  52.718  -5.000  29.092
   69    HB3  ARG  11           HB3      ARG  11  54.462  -4.876  29.110
   70    HG2  ARG  11           HG2      ARG  11  52.660  -6.498  30.938
   71    HG3  ARG  11           HG3      ARG  11  53.887  -7.059  29.811
   72    HD2  ARG  11           HD2      ARG  11  55.561  -5.765  31.368
   73    HD3  ARG  11           HD3      ARG  11  54.263  -5.832  32.557
   74    HE   ARG  11           HE       ARG  11  55.948  -8.016  31.518
   75   HH11  ARG  11          HH11      ARG  11  53.076  -7.425  33.531
   76   HH12  ARG  11          HH12      ARG  11  53.542  -8.757  34.572
   77   HH21  ARG  11          HH22      ARG  11  56.243  -9.703  32.702
   78   HH22  ARG  11          HH21      ARG  11  55.052 -10.229  33.885
   79    H    CYS  12           HN       CYS  12  55.668  -3.009  29.545
   80    HA   CYS  12           HA       CYS  12  57.270  -3.649  31.923
   81    HB2  CYS  12           HB2      CYS  12  58.133  -3.025  29.096
   82    HB3  CYS  12           HB3      CYS  12  59.097  -3.804  30.342
   83    HN1  NH2  13           HN1      NH2  13  56.448  -0.643  30.219
   84    HN2  NH2  13           HN2      NH2  13  57.621   0.341  31.070
  Start of MODEL   11
    1    H1   GLY   1           HT1      GLY   1  63.024  -6.456  26.485
    2    H2   GLY   1           HT2      GLY   1  62.670  -6.000  24.944
    3    H3   GLY   1           HT3      GLY   1  61.542  -6.791  25.847
    4    HA2  GLY   1           HA1      GLY   1  61.416  -4.936  27.382
    5    HA3  GLY   1           HA2      GLY   1  62.647  -4.111  26.406
    6    H    81S   2           HN       81S   2  59.945  -3.232  27.024
    7    HA   81S   2           HA       81S   2  58.641  -3.250  24.308
    8    H5   81S   2           HB2      81S   2  57.264  -3.098  27.007
    9    H6   81S   2           HB3      81S   2  56.524  -3.258  25.451
   10    H7   81S   2           HG       81S   2  56.274  -5.340  26.530
   11    H8   81S   2           HD2      81S   2  58.320  -5.376  24.326
   12    H9   81S   2           HD3      81S   2  58.050  -6.831  25.233
   13    H    ALA   3           HN       ALA   3  60.149  -1.172  26.453
   14    HA   ALA   3           HA       ALA   3  58.529   0.930  26.997
   15    HB1  ALA   3           HB1      ALA   3  60.592   2.280  27.117
   16    HB2  ALA   3           HB2      ALA   3  61.449   1.073  26.134
   17    HB3  ALA   3           HB3      ALA   3  60.854   0.647  27.757
   18    H    SER   4           HN       SER   4  60.104   0.546  23.785
   19    HA   SER   4           HA       SER   4  58.570   2.914  22.772
   20    HB2  SER   4           HB2      SER   4  61.155   1.656  21.826
   21    HB3  SER   4           HB3      SER   4  60.262   2.911  20.936
   22    HG   SER   4           HG       SER   4  61.812   3.850  22.170
   23    H    ASP   5           HN       ASP   5  57.785  -0.069  23.091
   24    HA   ASP   5           HA       ASP   5  57.296  -0.874  20.320
   25    HB2  ASP   5           HB2      ASP   5  58.067  -2.452  22.092
   26    HB3  ASP   5           HB3      ASP   5  56.484  -2.284  22.859
   27    HA   PRO   6           HA       PRO   6  53.317   1.228  20.305
   28    HB2  PRO   6           HB2      PRO   6  52.855  -0.821  18.120
   29    HB3  PRO   6           HB3      PRO   6  52.381   0.908  18.149
   30    HG2  PRO   6           HG2      PRO   6  54.616   0.183  16.835
   31    HG3  PRO   6           HG3      PRO   6  54.676   1.607  17.931
   32    HD2  PRO   6           HD2      PRO   6  55.615  -1.224  18.465
   33    HD3  PRO   6           HD3      PRO   6  56.391   0.342  18.879
   34    H    ARG   7           HN       ARG   7  53.573  -2.234  20.987
   35    HA   ARG   7           HA       ARG   7  50.612  -2.543  21.293
   36    HB2  ARG   7           HB2      ARG   7  52.936  -4.512  21.306
   37    HB3  ARG   7           HB3      ARG   7  51.252  -4.954  21.405
   38    HG2  ARG   7           HG2      ARG   7  52.455  -3.496  19.003
   39    HG3  ARG   7           HG3      ARG   7  52.401  -5.245  19.155
   40    HD2  ARG   7           HD2      ARG   7  49.950  -3.442  19.114
   41    HD3  ARG   7           HD3      ARG   7  50.582  -4.373  17.745
   42    HE   ARG   7           HE       ARG   7  50.015  -5.934  20.181
   43   HH11  ARG   7          HH11      ARG   7  48.639  -5.079  17.031
   44   HH12  ARG   7          HH12      ARG   7  47.493  -6.395  17.158
   45   HH21  ARG   7          HH22      ARG   7  48.658  -7.432  20.233
   46   HH22  ARG   7          HH21      ARG   7  47.306  -7.541  19.115
   47    H    CYS   8           HN       CYS   8  53.526  -2.461  23.198
   48    HA   CYS   8           HA       CYS   8  52.130  -3.585  25.603
   49    HB2  CYS   8           HB2      CYS   8  54.180  -5.046  25.754
   50    HB3  CYS   8           HB3      CYS   8  53.039  -5.423  24.482
   51    H    ALA   9           HN       ALA   9  53.983  -0.914  24.750
   52    HA   ALA   9           HA       ALA   9  55.972  -0.765  26.708
   53    HB1  ALA   9           HB1      ALA   9  55.611   0.798  24.777
   54    HB2  ALA   9           HB2      ALA   9  55.826   1.657  26.317
   55    HB3  ALA   9           HB3      ALA   9  54.201   1.477  25.623
   56    H    TRP  10           HN       TRP  10  52.529  -0.138  27.199
   57    HA   TRP  10           HA       TRP  10  52.543   0.996  29.801
   58    HB2  TRP  10           HB2      TRP  10  50.230   0.104  29.843
   59    HB3  TRP  10           HB3      TRP  10  50.603   0.948  28.351
   60    HD1  TRP  10           HD1      TRP  10  50.418  -0.398  26.105
   61    HE1  TRP  10           HE1      TRP  10  49.705  -2.771  25.459
   62    HE3  TRP  10           HE3      TRP  10  50.075  -2.428  30.798
   63    HZ2  TRP  10           HZ2      TRP  10  49.049  -5.242  26.822
   64    HZ3  TRP  10           HZ3      TRP  10  49.384  -4.787  31.093
   65    HH2  TRP  10           HH2      TRP  10  48.889  -6.211  29.122
   66    H    ARG  11           HN       ARG  11  53.241  -2.320  28.828
   67    HA   ARG  11           HA       ARG  11  52.607  -3.455  31.464
   68    HB2  ARG  11           HB2      ARG  11  52.199  -4.481  29.116
   69    HB3  ARG  11           HB3      ARG  11  53.901  -4.910  29.116
   70    HG2  ARG  11           HG2      ARG  11  52.159  -5.649  31.488
   71    HG3  ARG  11           HG3      ARG  11  51.983  -6.545  29.991
   72    HD2  ARG  11           HD2      ARG  11  54.152  -7.433  30.056
   73    HD3  ARG  11           HD3      ARG  11  54.734  -6.270  31.229
   74    HE   ARG  11           HE       ARG  11  53.140  -8.696  31.776
   75   HH11  ARG  11          HH12      ARG  11  54.251  -5.670  33.257
   76   HH12  ARG  11          HH11      ARG  11  54.015  -6.365  34.861
   77   HH21  ARG  11          HH22      ARG  11  52.921  -9.374  33.824
   78   HH22  ARG  11          HH21      ARG  11  53.426  -8.324  35.160
   79    H    CYS  12           HN       CYS  12  55.494  -2.379  29.804
   80    HA   CYS  12           HA       CYS  12  57.219  -3.760  31.837
   81    HB2  CYS  12           HB2      CYS  12  57.894  -2.910  29.032
   82    HB3  CYS  12           HB3      CYS  12  58.934  -3.789  30.146
   83    HN1  NH2  13           HN1      NH2  13  57.825  -2.380  33.435
   84    HN2  NH2  13           HN2      NH2  13  58.376  -0.740  33.172
  Start of MODEL   12
    1    H1   GLY   1           HT1      GLY   1  64.129  -2.536  27.164
    2    H2   GLY   1           HT2      GLY   1  63.825  -4.151  27.139
    3    H3   GLY   1           HT3      GLY   1  64.250  -3.425  28.551
    4    HA2  GLY   1           HA1      GLY   1  61.930  -3.863  28.608
    5    HA3  GLY   1           HA2      GLY   1  62.219  -2.122  28.547
    6    H    81S   2           HN       81S   2  60.156  -1.792  27.695
    7    HA   81S   2           HA       81S   2  59.567  -2.748  24.894
    8    H5   81S   2           HB2      81S   2  57.713  -2.157  27.232
    9    H6   81S   2           HB3      81S   2  57.215  -2.677  25.643
   10    H7   81S   2           HG       81S   2  56.977  -4.551  27.024
   11    H8   81S   2           HD2      81S   2  59.531  -4.781  25.376
   12    H9   81S   2           HD3      81S   2  58.738  -6.145  26.125
   13    H    ALA   3           HN       ALA   3  60.435  -0.065  26.394
   14    HA   ALA   3           HA       ALA   3  58.590   1.957  25.890
   15    HB1  ALA   3           HB1      ALA   3  60.476   3.497  26.154
   16    HB2  ALA   3           HB2      ALA   3  61.630   2.185  25.839
   17    HB3  ALA   3           HB3      ALA   3  60.612   2.155  27.301
   18    H    SER   4           HN       SER   4  60.585   0.431  23.443
   19    HA   SER   4           HA       SER   4  60.040   2.485  21.401
   20    HB2  SER   4           HB2      SER   4  61.219  -0.272  20.988
   21    HB3  SER   4           HB3      SER   4  61.301   1.121  19.901
   22    HG   SER   4           HG       SER   4  63.216   1.151  20.946
   23    H    ASP   5           HN       ASP   5  58.227  -0.059  22.751
   24    HA   ASP   5           HA       ASP   5  56.405  -0.260  20.392
   25    HB2  ASP   5           HB2      ASP   5  57.785  -2.261  20.882
   26    HB3  ASP   5           HB3      ASP   5  57.116  -2.328  22.510
   27    HA   PRO   6           HA       PRO   6  54.167   1.921  23.752
   28    HB2  PRO   6           HB2      PRO   6  52.314   2.319  21.390
   29    HB3  PRO   6           HB3      PRO   6  52.729   3.453  22.719
   30    HG2  PRO   6           HG2      PRO   6  53.998   3.729  20.362
   31    HG3  PRO   6           HG3      PRO   6  54.960   3.751  21.872
   32    HD2  PRO   6           HD2      PRO   6  54.505   1.430  19.972
   33    HD3  PRO   6           HD3      PRO   6  56.033   2.021  20.692
   34    H    ARG   7           HN       ARG   7  52.593  -0.419  21.513
   35    HA   ARG   7           HA       ARG   7  50.392  -1.017  23.331
   36    HB2  ARG   7           HB2      ARG   7  51.438  -2.569  20.930
   37    HB3  ARG   7           HB3      ARG   7  49.917  -2.879  21.752
   38    HG2  ARG   7           HG2      ARG   7  50.614  -0.321  20.248
   39    HG3  ARG   7           HG3      ARG   7  49.562  -1.621  19.688
   40    HD2  ARG   7           HD2      ARG   7  48.018  -1.176  21.581
   41    HD3  ARG   7           HD3      ARG   7  49.052   0.170  22.108
   42    HE   ARG   7           HE       ARG   7  48.534   0.712  19.442
   43   HH11  ARG   7          HH11      ARG   7  46.429   0.275  22.242
   44   HH12  ARG   7          HH12      ARG   7  45.363   1.557  21.697
   45   HH21  ARG   7          HH22      ARG   7  47.000   2.060  18.716
   46   HH22  ARG   7          HH21      ARG   7  45.485   2.215  19.573
   47    H    CYS   8           HN       CYS   8  53.590  -1.815  23.587
   48    HA   CYS   8           HA       CYS   8  53.062  -4.136  25.407
   49    HB2  CYS   8           HB2      CYS   8  54.636  -4.094  23.246
   50    HB3  CYS   8           HB3      CYS   8  55.714  -3.197  24.242
   51    H    ALA   9           HN       ALA   9  54.618  -0.937  25.111
   52    HA   ALA   9           HA       ALA   9  55.873  -0.741  27.540
   53    HB1  ALA   9           HB1      ALA   9  54.187   1.393  26.137
   54    HB2  ALA   9           HB2      ALA   9  55.865   0.970  25.717
   55    HB3  ALA   9           HB3      ALA   9  55.499   1.702  27.292
   56    H    TRP  10           HN       TRP  10  52.450  -0.551  26.873
   57    HA   TRP  10           HA       TRP  10  50.855  -0.213  28.968
   58    HB2  TRP  10           HB2      TRP  10  50.853  -1.634  26.663
   59    HB3  TRP  10           HB3      TRP  10  50.971  -2.983  27.754
   60    HD1  TRP  10           HD1      TRP  10  48.686  -0.800  26.051
   61    HE1  TRP  10           HE1      TRP  10  46.227  -1.215  26.750
   62    HE3  TRP  10           HE3      TRP  10  49.500  -3.521  30.312
   63    HZ2  TRP  10           HZ2      TRP  10  44.831  -2.547  28.877
   64    HZ3  TRP  10           HZ3      TRP  10  47.586  -4.402  31.622
   65    HH2  TRP  10           HH2      TRP  10  45.254  -3.937  30.907
   66    H    ARG  11           HN       ARG  11  53.176  -2.957  28.878
   67    HA   ARG  11           HA       ARG  11  52.376  -3.829  31.629
   68    HB2  ARG  11           HB2      ARG  11  54.037  -5.348  29.584
   69    HB3  ARG  11           HB3      ARG  11  53.330  -5.940  31.078
   70    HG2  ARG  11           HG2      ARG  11  51.048  -5.128  29.829
   71    HG3  ARG  11           HG3      ARG  11  52.062  -5.425  28.418
   72    HD2  ARG  11           HD2      ARG  11  51.136  -7.505  28.652
   73    HD3  ARG  11           HD3      ARG  11  52.546  -7.754  29.679
   74    HE   ARG  11           HE       ARG  11  49.699  -7.410  30.493
   75   HH11  ARG  11          HH12      ARG  11  52.968  -7.901  31.800
   76   HH12  ARG  11          HH11      ARG  11  52.322  -8.046  33.411
   77   HH21  ARG  11          HH21      ARG  11  49.047  -7.664  32.426
   78   HH22  ARG  11          HH22      ARG  11  50.141  -7.833  33.794
   79    H    CYS  12           HN       CYS  12  54.810  -2.020  30.232
   80    HA   CYS  12           HA       CYS  12  56.828  -2.867  32.310
   81    HB2  CYS  12           HB2      CYS  12  57.320  -1.907  29.479
   82    HB3  CYS  12           HB3      CYS  12  58.552  -2.353  30.663
   83    HN1  NH2  13           HN1      NH2  13  55.029  -0.076  31.246
   84    HN2  NH2  13           HN2      NH2  13  56.004   1.082  32.119
  Start of MODEL   13
    1    H1   GLY   1           HT1      GLY   1  63.713  -5.536  25.541
    2    H2   GLY   1           HT2      GLY   1  63.366  -4.480  24.317
    3    H3   GLY   1           HT3      GLY   1  62.275  -5.644  24.739
    4    HA2  GLY   1           HA1      GLY   1  61.985  -4.686  26.905
    5    HA3  GLY   1           HA2      GLY   1  63.122  -3.405  26.450
    6    H    81S   2           HN       81S   2  59.916  -4.328  26.570
    7    HA   81S   2           HA       81S   2  58.778  -3.300  24.241
    8    H5   81S   2           HB2      81S   2  57.228  -3.288  26.817
    9    H6   81S   2           HB3      81S   2  56.728  -3.652  25.222
   10    H7   81S   2           HG       81S   2  56.614  -5.638  26.562
   11    H8   81S   2           HD2      81S   2  58.592  -5.539  24.309
   12    H9   81S   2           HD3      81S   2  58.544  -6.985  25.257
   13    H    ALA   3           HN       ALA   3  60.095  -1.264  26.618
   14    HA   ALA   3           HA       ALA   3  58.393   0.935  26.817
   15    HB1  ALA   3           HB1      ALA   3  60.537   2.255  26.966
   16    HB2  ALA   3           HB2      ALA   3  61.413   0.812  26.418
   17    HB3  ALA   3           HB3      ALA   3  60.536   0.784  27.960
   18    H    SER   4           HN       SER   4  60.371   0.108  23.960
   19    HA   SER   4           HA       SER   4  59.650   2.497  22.455
   20    HB2  SER   4           HB2      SER   4  60.871  -0.132  21.540
   21    HB3  SER   4           HB3      SER   4  60.833   1.382  20.623
   22    HG   SER   4           HG       SER   4  62.789   1.053  21.662
   23    H    ASP   5           HN       ASP   5  57.730  -0.230  23.147
   24    HA   ASP   5           HA       ASP   5  57.015  -0.835  20.406
   25    HB2  ASP   5           HB2      ASP   5  57.558  -2.575  22.083
   26    HB3  ASP   5           HB3      ASP   5  56.073  -2.169  22.950
   27    HA   PRO   6           HA       PRO   6  53.291   1.553  20.376
   28    HB2  PRO   6           HB2      PRO   6  52.359  -0.636  18.490
   29    HB3  PRO   6           HB3      PRO   6  52.130   1.138  18.343
   30    HG2  PRO   6           HG2      PRO   6  54.125  -0.051  16.971
   31    HG3  PRO   6           HG3      PRO   6  54.465   1.469  17.866
   32    HD2  PRO   6           HD2      PRO   6  55.078  -1.381  18.697
   33    HD3  PRO   6           HD3      PRO   6  56.077   0.106  18.850
   34    H    ARG   7           HN       ARG   7  53.146  -1.860  21.460
   35    HA   ARG   7           HA       ARG   7  50.506  -1.204  22.748
   36    HB2  ARG   7           HB2      ARG   7  51.454  -3.925  21.732
   37    HB3  ARG   7           HB3      ARG   7  50.032  -3.645  22.714
   38    HG2  ARG   7           HG2      ARG   7  50.443  -2.619  19.869
   39    HG3  ARG   7           HG3      ARG   7  49.404  -3.953  20.391
   40    HD2  ARG   7           HD2      ARG   7  48.246  -2.239  21.928
   41    HD3  ARG   7           HD3      ARG   7  49.086  -0.990  20.990
   42    HE   ARG   7           HE       ARG   7  47.786  -2.637  19.111
   43   HH11  ARG   7          HH11      ARG   7  46.865  -0.503  21.755
   44   HH12  ARG   7          HH12      ARG   7  45.245  -0.293  21.101
   45   HH21  ARG   7          HH22      ARG   7  45.601  -2.202  18.360
   46   HH22  ARG   7          HH21      ARG   7  44.594  -1.216  19.380
   47    H    CYS   8           HN       CYS   8  53.290  -3.459  22.968
   48    HA   CYS   8           HA       CYS   8  52.623  -3.915  25.676
   49    HB2  CYS   8           HB2      CYS   8  54.655  -5.273  25.694
   50    HB3  CYS   8           HB3      CYS   8  53.394  -5.739  24.582
   51    H    ALA   9           HN       ALA   9  54.232  -1.210  24.635
   52    HA   ALA   9           HA       ALA   9  55.697  -0.396  26.907
   53    HB1  ALA   9           HB1      ALA   9  53.685   1.056  25.127
   54    HB2  ALA   9           HB2      ALA   9  55.435   0.916  24.862
   55    HB3  ALA   9           HB3      ALA   9  54.826   1.841  26.246
   56    H    TRP  10           HN       TRP  10  52.193  -1.164  26.665
   57    HA   TRP  10           HA       TRP  10  51.515  -0.027  29.220
   58    HB2  TRP  10           HB2      TRP  10  49.457  -1.398  29.078
   59    HB3  TRP  10           HB3      TRP  10  49.762  -0.262  27.798
   60    HD1  TRP  10           HD1      TRP  10  48.391  -1.133  25.968
   61    HE1  TRP  10           HE1      TRP  10  48.234  -3.277  24.543
   62    HE3  TRP  10           HE3      TRP  10  51.497  -4.216  28.685
   63    HZ2  TRP  10           HZ2      TRP  10  49.445  -5.854  24.473
   64    HZ3  TRP  10           HZ3      TRP  10  51.970  -6.501  27.892
   65    HH2  TRP  10           HH2      TRP  10  50.968  -7.332  25.783
   66    H    ARG  11           HN       ARG  11  53.726  -2.372  28.856
   67    HA   ARG  11           HA       ARG  11  53.417  -2.942  31.768
   68    HB2  ARG  11           HB2      ARG  11  53.897  -4.992  29.598
   69    HB3  ARG  11           HB3      ARG  11  54.796  -5.150  31.109
   70    HG2  ARG  11           HG2      ARG  11  52.654  -5.005  32.399
   71    HG3  ARG  11           HG3      ARG  11  51.765  -5.051  30.867
   72    HD2  ARG  11           HD2      ARG  11  52.768  -7.241  30.345
   73    HD3  ARG  11           HD3      ARG  11  53.722  -7.179  31.841
   74    HE   ARG  11           HE       ARG  11  51.249  -6.936  32.882
   75   HH11  ARG  11          HH12      ARG  11  52.368  -9.375  30.536
   76   HH12  ARG  11          HH11      ARG  11  50.981 -10.380  30.976
   77   HH21  ARG  11          HH22      ARG  11  49.791  -8.389  33.404
   78   HH22  ARG  11          HH21      ARG  11  49.669  -9.910  32.497
   79    H    CYS  12           HN       CYS  12  55.755  -2.561  29.060
   80    HA   CYS  12           HA       CYS  12  57.862  -2.303  31.161
   81    HB2  CYS  12           HB2      CYS  12  58.566  -2.815  28.324
   82    HB3  CYS  12           HB3      CYS  12  59.412  -3.236  29.784
   83    HN1  NH2  13           HN1      NH2  13  59.528  -0.751  31.035
   84    HN2  NH2  13           HN2      NH2  13  59.314   0.732  30.137
  Start of MODEL   14
    1    H1   GLY   1           HT1      GLY   1  63.150  -5.719  23.980
    2    H2   GLY   1           HT2      GLY   1  62.076  -6.940  24.233
    3    H3   GLY   1           HT3      GLY   1  63.367  -6.780  25.231
    4    HA2  GLY   1           HA1      GLY   1  61.411  -6.017  26.339
    5    HA3  GLY   1           HA2      GLY   1  62.528  -4.665  26.049
    6    H    81S   2           HN       81S   2  60.107  -3.824  26.489
    7    HA   81S   2           HA       81S   2  58.786  -3.362  23.813
    8    H5   81S   2           HB2      81S   2  57.265  -3.360  26.408
    9    H6   81S   2           HB3      81S   2  56.671  -3.474  24.789
   10    H7   81S   2           HG       81S   2  56.217  -5.524  25.821
   11    H8   81S   2           HD2      81S   2  58.370  -5.509  23.768
   12    H9   81S   2           HD3      81S   2  58.196  -7.004  24.627
   13    H    ALA   3           HN       ALA   3  60.372  -1.712  26.246
   14    HA   ALA   3           HA       ALA   3  58.708   0.221  27.192
   15    HB1  ALA   3           HB1      ALA   3  60.799   1.532  27.639
   16    HB2  ALA   3           HB2      ALA   3  61.679   0.420  26.569
   17    HB3  ALA   3           HB3      ALA   3  60.923  -0.186  28.054
   18    H    SER   4           HN       SER   4  59.978   0.364  23.916
   19    HA   SER   4           HA       SER   4  58.588   2.993  23.496
   20    HB2  SER   4           HB2      SER   4  61.020   1.860  22.089
   21    HB3  SER   4           HB3      SER   4  60.170   3.351  21.615
   22    HG   SER   4           HG       SER   4  61.918   3.856  22.899
   23    H    ASP   5           HN       ASP   5  57.700  -0.063  23.134
   24    HA   ASP   5           HA       ASP   5  57.037  -0.039  20.275
   25    HB2  ASP   5           HB2      ASP   5  57.842  -2.104  21.254
   26    HB3  ASP   5           HB3      ASP   5  56.471  -2.127  22.376
   27    HA   PRO   6           HA       PRO   6  53.087   1.876  20.849
   28    HB2  PRO   6           HB2      PRO   6  52.282   0.131  18.504
   29    HB3  PRO   6           HB3      PRO   6  51.916   1.861  18.785
   30    HG2  PRO   6           HG2      PRO   6  53.935   1.209  17.151
   31    HG3  PRO   6           HG3      PRO   6  54.213   2.475  18.397
   32    HD2  PRO   6           HD2      PRO   6  54.973  -0.458  18.488
   33    HD3  PRO   6           HD3      PRO   6  55.944   0.990  18.913
   34    H    ARG   7           HN       ARG   7  53.172  -1.691  21.099
   35    HA   ARG   7           HA       ARG   7  50.253  -1.679  21.895
   36    HB2  ARG   7           HB2      ARG   7  51.939  -4.020  20.926
   37    HB3  ARG   7           HB3      ARG   7  50.217  -4.008  21.260
   38    HG2  ARG   7           HG2      ARG   7  51.687  -2.742  18.939
   39    HG3  ARG   7           HG3      ARG   7  50.474  -4.016  18.906
   40    HD2  ARG   7           HD2      ARG   7  50.020  -1.064  19.493
   41    HD3  ARG   7           HD3      ARG   7  49.570  -1.959  18.045
   42    HE   ARG   7           HE       ARG   7  48.317  -3.070  20.443
   43   HH11  ARG   7          HH12      ARG   7  47.965  -0.595  17.944
   44   HH12  ARG   7          HH11      ARG   7  46.221  -0.596  18.128
   45   HH21  ARG   7          HH22      ARG   7  46.135  -2.582  20.886
   46   HH22  ARG   7          HH21      ARG   7  45.260  -1.631  19.707
   47    H    CYS   8           HN       CYS   8  53.474  -2.779  22.792
   48    HA   CYS   8           HA       CYS   8  52.323  -4.070  25.225
   49    HB2  CYS   8           HB2      CYS   8  54.220  -5.592  24.961
   50    HB3  CYS   8           HB3      CYS   8  53.086  -5.635  23.641
   51    H    ALA   9           HN       ALA   9  53.910  -1.250  24.721
   52    HA   ALA   9           HA       ALA   9  56.013  -1.303  26.692
   53    HB1  ALA   9           HB1      ALA   9  55.864   1.138  26.495
   54    HB2  ALA   9           HB2      ALA   9  54.300   1.007  25.668
   55    HB3  ALA   9           HB3      ALA   9  55.775   0.416  24.883
   56    H    TRP  10           HN       TRP  10  52.521  -0.950  26.944
   57    HA   TRP  10           HA       TRP  10  52.145   0.625  29.064
   58    HB2  TRP  10           HB2      TRP  10  50.024  -0.378  29.400
   59    HB3  TRP  10           HB3      TRP  10  50.396  -0.419  27.694
   60    HD1  TRP  10           HD1      TRP  10  50.477  -2.775  26.529
   61    HE1  TRP  10           HE1      TRP  10  49.668  -5.124  27.238
   62    HE3  TRP  10           HE3      TRP  10  50.122  -2.034  31.577
   63    HZ2  TRP  10           HZ2      TRP  10  48.667  -6.380  29.619
   64    HZ3  TRP  10           HZ3      TRP  10  49.121  -3.786  33.038
   65    HH2  TRP  10           HH2      TRP  10  48.367  -5.946  32.069
   66    H    ARG  11           HN       ARG  11  53.047  -2.796  29.555
   67    HA   ARG  11           HA       ARG  11  53.211  -2.345  32.506
   68    HB2  ARG  11           HB2      ARG  11  52.158  -4.427  31.075
   69    HB3  ARG  11           HB3      ARG  11  53.778  -5.041  31.305
   70    HG2  ARG  11           HG2      ARG  11  51.896  -4.094  33.520
   71    HG3  ARG  11           HG3      ARG  11  52.097  -5.763  33.009
   72    HD2  ARG  11           HD2      ARG  11  54.550  -5.587  33.634
   73    HD3  ARG  11           HD3      ARG  11  54.172  -4.039  34.397
   74    HE   ARG  11           HE       ARG  11  53.605  -6.689  35.425
   75   HH11  ARG  11          HH12      ARG  11  52.623  -3.328  35.721
   76   HH12  ARG  11          HH11      ARG  11  51.678  -3.651  37.150
   77   HH21  ARG  11          HH22      ARG  11  52.311  -7.023  37.256
   78   HH22  ARG  11          HH21      ARG  11  51.577  -5.633  38.000
   79    H    CYS  12           HN       CYS  12  55.280  -2.895  29.732
   80    HA   CYS  12           HA       CYS  12  57.497  -3.901  31.278
   81    HB2  CYS  12           HB2      CYS  12  57.525  -2.916  28.436
   82    HB3  CYS  12           HB3      CYS  12  58.791  -3.841  29.236
   83    HN1  NH2  13           HN1      NH2  13  59.475  -3.049  31.858
   84    HN2  NH2  13           HN2      NH2  13  59.747  -1.318  31.949
  Start of MODEL   15
    1    H1   GLY   1           HT1      GLY   1  61.235  -7.514  24.539
    2    H2   GLY   1           HT2      GLY   1  62.664  -7.690  25.351
    3    H3   GLY   1           HT3      GLY   1  62.616  -6.862  23.932
    4    HA2  GLY   1           HA1      GLY   1  61.384  -6.000  26.451
    5    HA3  GLY   1           HA2      GLY   1  62.807  -5.295  25.655
    6    H    81S   2           HN       81S   2  60.154  -4.143  26.369
    7    HA   81S   2           HA       81S   2  58.974  -3.518  23.654
    8    H5   81S   2           HB2      81S   2  57.488  -3.419  26.242
    9    H6   81S   2           HB3      81S   2  56.853  -3.561  24.639
   10    H7   81S   2           HG       81S   2  56.330  -5.566  25.755
   11    H8   81S   2           HD2      81S   2  58.442  -5.650  23.659
   12    H9   81S   2           HD3      81S   2  58.210  -7.142  24.530
   13    H    ALA   3           HN       ALA   3  60.732  -2.020  25.851
   14    HA   ALA   3           HA       ALA   3  59.476  -0.080  27.196
   15    HB1  ALA   3           HB1      ALA   3  61.624   1.109  27.271
   16    HB2  ALA   3           HB2      ALA   3  62.177   0.248  25.817
   17    HB3  ALA   3           HB3      ALA   3  61.882  -0.643  27.330
   18    H    SER   4           HN       SER   4  60.078   0.267  23.718
   19    HA   SER   4           HA       SER   4  58.643   2.897  23.740
   20    HB2  SER   4           HB2      SER   4  60.925   1.944  22.001
   21    HB3  SER   4           HB3      SER   4  60.026   3.459  21.733
   22    HG   SER   4           HG       SER   4  62.034   3.647  22.978
   23    H    ASP   5           HN       ASP   5  57.808  -0.161  23.201
   24    HA   ASP   5           HA       ASP   5  56.806   0.023  20.473
   25    HB2  ASP   5           HB2      ASP   5  57.544  -2.125  21.401
   26    HB3  ASP   5           HB3      ASP   5  56.261  -2.053  22.605
   27    HA   PRO   6           HA       PRO   6  53.084   2.188  21.590
   28    HB2  PRO   6           HB2      PRO   6  51.943   0.685  19.214
   29    HB3  PRO   6           HB3      PRO   6  51.744   2.411  19.651
   30    HG2  PRO   6           HG2      PRO   6  53.535   1.723  17.761
   31    HG3  PRO   6           HG3      PRO   6  54.004   2.907  19.029
   32    HD2  PRO   6           HD2      PRO   6  54.629  -0.054  18.894
   33    HD3  PRO   6           HD3      PRO   6  55.695   1.324  19.312
   34    H    ARG   7           HN       ARG   7  52.987  -1.421  21.316
   35    HA   ARG   7           HA       ARG   7  50.170  -1.411  22.376
   36    HB2  ARG   7           HB2      ARG   7  51.740  -3.598  20.964
   37    HB3  ARG   7           HB3      ARG   7  50.051  -3.659  21.426
   38    HG2  ARG   7           HG2      ARG   7  51.330  -1.961  19.253
   39    HG3  ARG   7           HG3      ARG   7  50.172  -3.275  19.057
   40    HD2  ARG   7           HD2      ARG   7  49.640  -0.534  20.267
   41    HD3  ARG   7           HD3      ARG   7  49.083  -1.128  18.700
   42    HE   ARG   7           HE       ARG   7  48.104  -2.940  20.643
   43   HH11  ARG   7          HH12      ARG   7  47.580   0.464  19.876
   44   HH12  ARG   7          HH11      ARG   7  45.942   0.395  20.511
   45   HH21  ARG   7          HH22      ARG   7  46.106  -2.911  21.391
   46   HH22  ARG   7          HH21      ARG   7  45.183  -1.416  21.457
   47    H    CYS   8           HN       CYS   8  53.427  -2.660  22.814
   48    HA   CYS   8           HA       CYS   8  52.533  -3.965  25.326
   49    HB2  CYS   8           HB2      CYS   8  54.275  -5.553  24.905
   50    HB3  CYS   8           HB3      CYS   8  53.110  -5.526  23.617
   51    H    ALA   9           HN       ALA   9  54.148  -1.131  24.792
   52    HA   ALA   9           HA       ALA   9  56.059  -1.366  26.986
   53    HB1  ALA   9           HB1      ALA   9  56.156   0.469  25.332
   54    HB2  ALA   9           HB2      ALA   9  55.931   1.101  26.973
   55    HB3  ALA   9           HB3      ALA   9  54.554   1.022  25.853
   56    H    TRP  10           HN       TRP  10  52.690  -1.490  26.884
   57    HA   TRP  10           HA       TRP  10  51.487  -0.156  28.783
   58    HB2  TRP  10           HB2      TRP  10  50.801  -2.125  27.204
   59    HB3  TRP  10           HB3      TRP  10  51.037  -3.147  28.609
   60    HD1  TRP  10           HD1      TRP  10  48.918  -0.259  27.277
   61    HE1  TRP  10           HE1      TRP  10  46.609  -0.254  28.479
   62    HE3  TRP  10           HE3      TRP  10  49.791  -3.956  30.641
   63    HZ2  TRP  10           HZ2      TRP  10  45.431  -1.532  30.783
   64    HZ3  TRP  10           HZ3      TRP  10  48.049  -4.588  32.331
   65    HH2  TRP  10           HH2      TRP  10  45.889  -3.372  32.415
   66    H    ARG  11           HN       ARG  11  53.302  -3.123  29.784
   67    HA   ARG  11           HA       ARG  11  53.494  -1.990  32.586
   68    HB2  ARG  11           HB2      ARG  11  54.000  -4.852  31.687
   69    HB3  ARG  11           HB3      ARG  11  54.053  -4.243  33.331
   70    HG2  ARG  11           HG2      ARG  11  51.563  -4.518  31.613
   71    HG3  ARG  11           HG3      ARG  11  52.096  -5.614  32.860
   72    HD2  ARG  11           HD2      ARG  11  50.441  -4.443  33.907
   73    HD3  ARG  11           HD3      ARG  11  51.909  -3.687  34.535
   74    HE   ARG  11           HE       ARG  11  51.243  -2.021  32.452
   75   HH11  ARG  11          HH12      ARG  11  49.248  -3.213  35.135
   76   HH12  ARG  11          HH11      ARG  11  48.229  -1.773  35.022
   77   HH21  ARG  11          HH21      ARG  11  49.702  -0.342  32.381
   78   HH22  ARG  11          HH22      ARG  11  48.508  -0.307  33.670
   79    H    CYS  12           HN       CYS  12  55.266  -3.288  29.831
   80    HA   CYS  12           HA       CYS  12  57.787  -3.615  31.083
   81    HB2  CYS  12           HB2      CYS  12  57.258  -2.951  28.201
   82    HB3  CYS  12           HB3      CYS  12  58.766  -3.603  28.840
   83    HN1  NH2  13           HN1      NH2  13  59.688  -2.392  31.336
   84    HN2  NH2  13           HN2      NH2  13  59.762  -0.680  30.981
  Start of MODEL   16
    1    H1   GLY   1           HT1      GLY   1  63.906  -3.399  26.115
    2    H2   GLY   1           HT2      GLY   1  62.661  -2.592  26.836
    3    H3   GLY   1           HT3      GLY   1  63.247  -2.077  25.394
    4    HA2  GLY   1           HA1      GLY   1  62.478  -4.071  24.304
    5    HA3  GLY   1           HA2      GLY   1  61.802  -4.597  25.862
    6    H    81S   2           HN       81S   2  59.644  -4.175  26.050
    7    HA   81S   2           HA       81S   2  58.287  -2.878  24.009
    8    H5   81S   2           HB2      81S   2  56.955  -3.195  26.689
    9    H6   81S   2           HB3      81S   2  56.324  -3.297  25.115
   10    H7   81S   2           HG       81S   2  56.262  -5.467  26.088
   11    H8   81S   2           HD2      81S   2  58.177  -5.080  23.794
   12    H9   81S   2           HD3      81S   2  58.047  -6.660  24.509
   13    H    ALA   3           HN       ALA   3  59.736  -1.119  26.583
   14    HA   ALA   3           HA       ALA   3  58.118   1.249  26.627
   15    HB1  ALA   3           HB1      ALA   3  60.257   2.363  27.200
   16    HB2  ALA   3           HB2      ALA   3  61.156   0.906  26.722
   17    HB3  ALA   3           HB3      ALA   3  60.046   0.860  28.115
   18    H    SER   4           HN       SER   4  60.442   0.018  24.206
   19    HA   SER   4           HA       SER   4  60.275   2.319  22.438
   20    HB2  SER   4           HB2      SER   4  61.303  -0.502  21.965
   21    HB3  SER   4           HB3      SER   4  61.536   0.877  20.883
   22    HG   SER   4           HG       SER   4  63.322   0.502  22.177
   23    H    ASP   5           HN       ASP   5  57.775   0.191  23.091
   24    HA   ASP   5           HA       ASP   5  56.869   0.111  20.255
   25    HB2  ASP   5           HB2      ASP   5  57.711  -2.059  21.176
   26    HB3  ASP   5           HB3      ASP   5  56.362  -2.029  22.315
   27    HA   PRO   6           HA       PRO   6  53.200   2.214  21.729
   28    HB2  PRO   6           HB2      PRO   6  52.068   0.883  19.248
   29    HB3  PRO   6           HB3      PRO   6  51.776   2.542  19.860
   30    HG2  PRO   6           HG2      PRO   6  53.578   2.165  17.899
   31    HG3  PRO   6           HG3      PRO   6  54.014   3.214  19.292
   32    HD2  PRO   6           HD2      PRO   6  54.775   0.327  18.795
   33    HD3  PRO   6           HD3      PRO   6  55.773   1.689  19.400
   34    H    ARG   7           HN       ARG   7  53.119  -1.373  21.261
   35    HA   ARG   7           HA       ARG   7  50.254  -1.384  22.181
   36    HB2  ARG   7           HB2      ARG   7  51.933  -3.354  20.598
   37    HB3  ARG   7           HB3      ARG   7  50.312  -3.715  21.165
   38    HG2  ARG   7           HG2      ARG   7  50.868  -1.328  19.347
   39    HG3  ARG   7           HG3      ARG   7  50.609  -2.958  18.748
   40    HD2  ARG   7           HD2      ARG   7  48.511  -1.949  18.562
   41    HD3  ARG   7           HD3      ARG   7  48.394  -3.021  19.941
   42    HE   ARG   7           HE       ARG   7  47.991  -1.214  21.330
   43   HH11  ARG   7          HH12      ARG   7  49.017   0.097  18.224
   44   HH12  ARG   7          HH11      ARG   7  48.535   1.711  18.672
   45   HH21  ARG   7          HH21      ARG   7  47.239   0.825  21.723
   46   HH22  ARG   7          HH22      ARG   7  47.516   2.101  20.575
   47    H    CYS   8           HN       CYS   8  53.320  -1.969  23.371
   48    HA   CYS   8           HA       CYS   8  52.211  -3.515  25.654
   49    HB2  CYS   8           HB2      CYS   8  54.283  -4.953  25.410
   50    HB3  CYS   8           HB3      CYS   8  52.988  -5.226  24.274
   51    H    ALA   9           HN       ALA   9  53.888  -0.731  24.946
   52    HA   ALA   9           HA       ALA   9  55.727  -0.347  27.060
   53    HB1  ALA   9           HB1      ALA   9  53.454   1.409  26.008
   54    HB2  ALA   9           HB2      ALA   9  55.105   1.325  25.336
   55    HB3  ALA   9           HB3      ALA   9  54.835   1.978  26.961
   56    H    TRP  10           HN       TRP  10  52.256  -0.604  27.054
   57    HA   TRP  10           HA       TRP  10  50.993  -0.360  29.308
   58    HB2  TRP  10           HB2      TRP  10  50.546  -1.754  27.204
   59    HB3  TRP  10           HB3      TRP  10  51.388  -3.085  27.988
   60    HD1  TRP  10           HD1      TRP  10  48.508  -0.688  28.653
   61    HE1  TRP  10           HE1      TRP  10  46.588  -1.913  29.923
   62    HE3  TRP  10           HE3      TRP  10  50.708  -5.255  29.131
   63    HZ2  TRP  10           HZ2      TRP  10  46.171  -4.522  31.089
   64    HZ3  TRP  10           HZ3      TRP  10  49.543  -7.106  30.335
   65    HH2  TRP  10           HH2      TRP  10  47.296  -6.740  31.331
   66    H    ARG  11           HN       ARG  11  53.701  -2.739  29.235
   67    HA   ARG  11           HA       ARG  11  53.634  -2.739  32.230
   68    HB2  ARG  11           HB2      ARG  11  53.750  -5.217  30.456
   69    HB3  ARG  11           HB3      ARG  11  54.298  -5.226  32.126
   70    HG2  ARG  11           HG2      ARG  11  51.487  -4.505  31.292
   71    HG3  ARG  11           HG3      ARG  11  52.001  -6.100  31.849
   72    HD2  ARG  11           HD2      ARG  11  52.683  -5.105  34.026
   73    HD3  ARG  11           HD3      ARG  11  52.114  -3.521  33.490
   74    HE   ARG  11           HE       ARG  11  50.526  -5.639  34.571
   75   HH11  ARG  11          HH12      ARG  11  50.267  -2.967  32.269
   76   HH12  ARG  11          HH11      ARG  11  48.529  -2.889  32.520
   77   HH21  ARG  11          HH22      ARG  11  48.310  -5.437  34.730
   78   HH22  ARG  11          HH21      ARG  11  47.512  -4.146  33.850
   79    H    CYS  12           HN       CYS  12  55.653  -2.754  29.391
   80    HA   CYS  12           HA       CYS  12  58.046  -3.094  31.161
   81    HB2  CYS  12           HB2      CYS  12  58.271  -2.909  28.204
   82    HB3  CYS  12           HB3      CYS  12  59.336  -3.657  29.354
   83    HN1  NH2  13           HN1      NH2  13  59.595  -1.543  31.485
   84    HN2  NH2  13           HN2      NH2  13  59.454   0.100  30.889
  Start of MODEL   17
    1    H1   GLY   1           HT1      GLY   1  62.849  -2.534  22.907
    2    H2   GLY   1           HT2      GLY   1  62.510  -4.083  23.349
    3    H3   GLY   1           HT3      GLY   1  63.927  -3.381  23.807
    4    HA2  GLY   1           HA1      GLY   1  62.326  -3.507  25.644
    5    HA3  GLY   1           HA2      GLY   1  62.851  -1.860  25.247
    6    H    81S   2           HN       81S   2  60.206  -3.105  26.370
    7    HA   81S   2           HA       81S   2  58.225  -2.482  24.348
    8    H5   81S   2           HB2      81S   2  57.355  -2.463  27.190
    9    H6   81S   2           HB3      81S   2  56.617  -3.069  25.789
   10    H7   81S   2           HG       81S   2  57.066  -4.921  27.197
   11    H8   81S   2           HD2      81S   2  58.919  -4.849  24.784
   12    H9   81S   2           HD3      81S   2  58.715  -6.246  25.776
   13    H    ALA   3           HN       ALA   3  59.999  -0.501  26.569
   14    HA   ALA   3           HA       ALA   3  58.357   1.863  26.431
   15    HB1  ALA   3           HB1      ALA   3  60.410   3.016  27.113
   16    HB2  ALA   3           HB2      ALA   3  61.364   1.573  26.740
   17    HB3  ALA   3           HB3      ALA   3  60.177   1.537  28.065
   18    H    SER   4           HN       SER   4  60.027   0.208  23.943
   19    HA   SER   4           HA       SER   4  59.766   2.518  22.074
   20    HB2  SER   4           HB2      SER   4  61.478   0.028  21.784
   21    HB3  SER   4           HB3      SER   4  61.437   1.418  20.691
   22    HG   SER   4           HG       SER   4  63.199   1.343  22.233
   23    H    ASP   5           HN       ASP   5  57.957  -0.074  22.995
   24    HA   ASP   5           HA       ASP   5  56.831  -0.542  20.265
   25    HB2  ASP   5           HB2      ASP   5  58.125  -2.513  21.063
   26    HB3  ASP   5           HB3      ASP   5  57.059  -2.630  22.460
   27    HA   PRO   6           HA       PRO   6  54.115   1.918  22.946
   28    HB2  PRO   6           HB2      PRO   6  52.471   1.840  20.400
   29    HB3  PRO   6           HB3      PRO   6  52.697   3.201  21.552
   30    HG2  PRO   6           HG2      PRO   6  54.186   3.106  19.314
   31    HG3  PRO   6           HG3      PRO   6  54.971   3.484  20.878
   32    HD2  PRO   6           HD2      PRO   6  54.959   0.877  19.356
   33    HD3  PRO   6           HD3      PRO   6  56.278   1.658  20.274
   34    H    ARG   7           HN       ARG   7  52.585  -0.745  21.040
   35    HA   ARG   7           HA       ARG   7  50.342  -0.838  22.939
   36    HB2  ARG   7           HB2      ARG   7  50.913  -2.604  20.558
   37    HB3  ARG   7           HB3      ARG   7  49.441  -2.630  21.523
   38    HG2  ARG   7           HG2      ARG   7  50.415  -0.246  19.878
   39    HG3  ARG   7           HG3      ARG   7  49.192  -1.407  19.405
   40    HD2  ARG   7           HD2      ARG   7  47.935   0.423  20.104
   41    HD3  ARG   7           HD3      ARG   7  47.832  -0.705  21.445
   42    HE   ARG   7           HE       ARG   7  48.773   0.915  22.801
   43   HH11  ARG   7          HH12      ARG   7  49.513   1.984  19.486
   44   HH12  ARG   7          HH11      ARG   7  50.162   3.484  20.138
   45   HH21  ARG   7          HH21      ARG   7  49.625   2.809  23.379
   46   HH22  ARG   7          HH22      ARG   7  50.301   3.893  22.149
   47    H    CYS   8           HN       CYS   8  53.362  -1.844  23.399
   48    HA   CYS   8           HA       CYS   8  52.536  -3.964  25.333
   49    HB2  CYS   8           HB2      CYS   8  54.177  -4.430  23.423
   50    HB3  CYS   8           HB3      CYS   8  55.281  -3.341  24.187
   51    H    ALA   9           HN       ALA   9  53.159  -0.652  25.147
   52    HA   ALA   9           HA       ALA   9  55.201  -0.293  27.004
   53    HB1  ALA   9           HB1      ALA   9  54.467   1.384  25.348
   54    HB2  ALA   9           HB2      ALA   9  54.465   2.080  26.982
   55    HB3  ALA   9           HB3      ALA   9  52.938   1.604  26.228
   56    H    TRP  10           HN       TRP  10  51.777  -0.841  27.669
   57    HA   TRP  10           HA       TRP  10  51.570  -0.129  30.394
   58    HB2  TRP  10           HB2      TRP  10  49.901  -1.830  30.526
   59    HB3  TRP  10           HB3      TRP  10  49.761  -1.044  28.971
   60    HD1  TRP  10           HD1      TRP  10  50.174  -2.536  26.806
   61    HE1  TRP  10           HE1      TRP  10  50.254  -5.084  26.421
   62    HE3  TRP  10           HE3      TRP  10  50.863  -4.070  31.629
   63    HZ2  TRP  10           HZ2      TRP  10  50.343  -7.471  28.026
   64    HZ3  TRP  10           HZ3      TRP  10  50.789  -6.493  32.203
   65    HH2  TRP  10           HH2      TRP  10  50.531  -8.199  30.411
   66    H    ARG  11           HN       ARG  11  53.163  -2.957  28.948
   67    HA   ARG  11           HA       ARG  11  53.595  -4.430  31.368
   68    HB2  ARG  11           HB2      ARG  11  53.712  -4.945  28.664
   69    HB3  ARG  11           HB3      ARG  11  55.422  -4.862  29.025
   70    HG2  ARG  11           HG2      ARG  11  53.337  -6.753  30.176
   71    HG3  ARG  11           HG3      ARG  11  54.616  -7.123  29.039
   72    HD2  ARG  11           HD2      ARG  11  55.488  -8.015  30.976
   73    HD3  ARG  11           HD3      ARG  11  56.266  -6.443  30.927
   74    HE   ARG  11           HE       ARG  11  55.225  -5.908  32.914
   75   HH11  ARG  11          HH12      ARG  11  53.327  -8.612  31.647
   76   HH12  ARG  11          HH11      ARG  11  52.247  -8.565  33.027
   77   HH21  ARG  11          HH22      ARG  11  54.038  -6.026  34.592
   78   HH22  ARG  11          HH21      ARG  11  52.641  -7.081  34.722
   79    H    CYS  12           HN       CYS  12  55.654  -2.287  29.475
   80    HA   CYS  12           HA       CYS  12  57.584  -2.044  31.757
   81    HB2  CYS  12           HB2      CYS  12  58.530  -2.049  28.898
   82    HB3  CYS  12           HB3      CYS  12  59.469  -2.226  30.356
   83    HN1  NH2  13           HN1      NH2  13  57.786   0.052  32.375
   84    HN2  NH2  13           HN2      NH2  13  57.557   1.438  31.319
  Start of MODEL   18
    1    H1   GLY   1           HT1      GLY   1  63.516  -6.159  26.700
    2    H2   GLY   1           HT2      GLY   1  63.085  -5.764  25.165
    3    H3   GLY   1           HT3      GLY   1  62.049  -6.627  26.098
    4    HA2  GLY   1           HA1      GLY   1  61.653  -4.810  27.544
    5    HA3  GLY   1           HA2      GLY   1  62.914  -3.883  26.704
    6    H    81S   2           HN       81S   2  60.188  -3.089  27.063
    7    HA   81S   2           HA       81S   2  59.131  -3.161  24.235
    8    H5   81S   2           HB2      81S   2  57.486  -3.002  26.761
    9    H6   81S   2           HB3      81S   2  56.931  -3.215  25.125
   10    H7   81S   2           HG       81S   2  56.544  -5.235  26.235
   11    H8   81S   2           HD2      81S   2  58.686  -5.226  24.172
   12    H9   81S   2           HD3      81S   2  58.576  -6.685  25.097
   13    H    ALA   3           HN       ALA   3  60.351  -0.977  26.459
   14    HA   ALA   3           HA       ALA   3  58.635   1.129  26.714
   15    HB1  ALA   3           HB1      ALA   3  61.616   1.257  26.071
   16    HB2  ALA   3           HB2      ALA   3  60.886   1.033  27.676
   17    HB3  ALA   3           HB3      ALA   3  60.653   2.554  26.806
   18    H    SER   4           HN       SER   4  60.601   0.599  23.750
   19    HA   SER   4           HA       SER   4  59.352   2.897  22.389
   20    HB2  SER   4           HB2      SER   4  61.504   0.981  21.448
   21    HB3  SER   4           HB3      SER   4  60.925   2.404  20.569
   22    HG   SER   4           HG       SER   4  62.610   3.187  21.603
   23    H    ASP   5           HN       ASP   5  57.910   0.098  22.958
   24    HA   ASP   5           HA       ASP   5  56.727  -0.155  20.238
   25    HB2  ASP   5           HB2      ASP   5  57.598  -2.235  21.130
   26    HB3  ASP   5           HB3      ASP   5  56.602  -2.055  22.580
   27    HA   PRO   6           HA       PRO   6  53.393   2.182  22.102
   28    HB2  PRO   6           HB2      PRO   6  51.837   1.315  19.670
   29    HB3  PRO   6           HB3      PRO   6  52.014   2.953  20.378
   30    HG2  PRO   6           HG2      PRO   6  53.457   2.288  18.205
   31    HG3  PRO   6           HG3      PRO   6  54.271   3.127  19.567
   32    HD2  PRO   6           HD2      PRO   6  54.198   0.139  18.982
   33    HD3  PRO   6           HD3      PRO   6  55.601   1.201  19.315
   34    H    ARG   7           HN       ARG   7  53.036  -1.290  21.680
   35    HA   ARG   7           HA       ARG   7  50.291  -1.232  22.915
   36    HB2  ARG   7           HB2      ARG   7  51.451  -2.906  20.649
   37    HB3  ARG   7           HB3      ARG   7  50.075  -3.463  21.581
   38    HG2  ARG   7           HG2      ARG   7  50.191  -0.903  19.931
   39    HG3  ARG   7           HG3      ARG   7  49.382  -2.404  19.483
   40    HD2  ARG   7           HD2      ARG   7  48.609  -0.516  21.743
   41    HD3  ARG   7           HD3      ARG   7  47.741  -0.813  20.236
   42    HE   ARG   7           HE       ARG   7  48.104  -3.232  21.854
   43   HH11  ARG   7          HH11      ARG   7  45.944  -0.463  21.486
   44   HH12  ARG   7          HH12      ARG   7  44.635  -1.333  22.247
   45   HH21  ARG   7          HH22      ARG   7  46.449  -4.214  22.725
   46   HH22  ARG   7          HH21      ARG   7  44.862  -3.457  22.816
   47    H    CYS   8           HN       CYS   8  53.531  -2.357  23.155
   48    HA   CYS   8           HA       CYS   8  52.612  -3.799  25.588
   49    HB2  CYS   8           HB2      CYS   8  54.354  -5.409  25.265
   50    HB3  CYS   8           HB3      CYS   8  53.305  -5.413  23.875
   51    H    ALA   9           HN       ALA   9  54.358  -1.030  24.816
   52    HA   ALA   9           HA       ALA   9  56.129  -0.977  27.100
   53    HB1  ALA   9           HB1      ALA   9  56.046   0.819  25.420
   54    HB2  ALA   9           HB2      ALA   9  55.635   1.470  27.015
   55    HB3  ALA   9           HB3      ALA   9  54.348   1.160  25.827
   56    H    TRP  10           HN       TRP  10  52.700  -1.029  26.747
   57    HA   TRP  10           HA       TRP  10  51.233  -0.113  28.571
   58    HB2  TRP  10           HB2      TRP  10  50.819  -2.030  26.934
   59    HB3  TRP  10           HB3      TRP  10  51.322  -3.141  28.198
   60    HD1  TRP  10           HD1      TRP  10  48.869  -0.268  27.709
   61    HE1  TRP  10           HE1      TRP  10  46.725  -0.654  29.120
   62    HE3  TRP  10           HE3      TRP  10  50.065  -4.811  29.699
   63    HZ2  TRP  10           HZ2      TRP  10  45.758  -2.644  30.979
   64    HZ3  TRP  10           HZ3      TRP  10  48.522  -5.940  31.299
   65    HH2  TRP  10           HH2      TRP  10  46.398  -4.845  31.983
   66    H    ARG  11           HN       ARG  11  52.943  -3.097  29.627
   67    HA   ARG  11           HA       ARG  11  53.179  -1.956  32.386
   68    HB2  ARG  11           HB2      ARG  11  52.014  -4.686  31.710
   69    HB3  ARG  11           HB3      ARG  11  52.473  -4.189  33.332
   70    HG2  ARG  11           HG2      ARG  11  50.342  -2.817  31.656
   71    HG3  ARG  11           HG3      ARG  11  50.045  -4.001  32.926
   72    HD2  ARG  11           HD2      ARG  11  50.980  -2.475  34.594
   73    HD3  ARG  11           HD3      ARG  11  51.358  -1.281  33.348
   74    HE   ARG  11           HE       ARG  11  48.729  -1.909  34.504
   75   HH11  ARG  11          HH11      ARG  11  50.283  -0.204  31.824
   76   HH12  ARG  11          HH12      ARG  11  48.820   0.704  31.504
   77   HH21  ARG  11          HH21      ARG  11  47.017  -0.537  34.106
   78   HH22  ARG  11          HH22      ARG  11  47.179   0.679  32.861
   79    H    CYS  12           HN       CYS  12  55.057  -2.470  30.101
   80    HA   CYS  12           HA       CYS  12  57.140  -3.948  31.661
   81    HB2  CYS  12           HB2      CYS  12  57.206  -2.818  28.868
   82    HB3  CYS  12           HB3      CYS  12  58.599  -3.487  29.715
   83    HN1  NH2  13           HN1      NH2  13  58.914  -2.878  32.582
   84    HN2  NH2  13           HN2      NH2  13  59.029  -1.126  32.624
  Start of MODEL   19
    1    H1   GLY   1           HT1      GLY   1  63.405  -5.358  24.742
    2    H2   GLY   1           HT2      GLY   1  62.375  -6.478  25.355
    3    H3   GLY   1           HT3      GLY   1  63.722  -6.038  26.196
    4    HA2  GLY   1           HA1      GLY   1  61.726  -5.008  27.135
    5    HA3  GLY   1           HA2      GLY   1  62.903  -3.824  26.518
    6    H    81S   2           HN       81S   2  60.520  -2.838  26.756
    7    HA   81S   2           HA       81S   2  59.225  -2.823  24.028
    8    H5   81S   2           HB2      81S   2  58.036  -2.260  26.740
    9    H6   81S   2           HB3      81S   2  57.154  -2.350  25.226
   10    H7   81S   2           HG       81S   2  56.544  -4.260  26.309
   11    H8   81S   2           HD2      81S   2  57.579  -4.472  23.893
   12    H9   81S   2           HD3      81S   2  58.828  -5.399  24.691
   13    H    ALA   3           HN       ALA   3  61.221  -1.014  25.659
   14    HA   ALA   3           HA       ALA   3  60.263   1.418  26.419
   15    HB1  ALA   3           HB1      ALA   3  62.616   0.608  26.590
   16    HB2  ALA   3           HB2      ALA   3  62.521   2.282  26.010
   17    HB3  ALA   3           HB3      ALA   3  62.852   0.968  24.864
   18    H    SER   4           HN       SER   4  60.538   0.490  23.013
   19    HA   SER   4           HA       SER   4  59.200   3.034  22.274
   20    HB2  SER   4           HB2      SER   4  61.784   2.724  21.644
   21    HB3  SER   4           HB3      SER   4  61.078   1.878  20.259
   22    HG   SER   4           HG       SER   4  60.866   3.874  19.558
   23    H    ASP   5           HN       ASP   5  57.928   0.590  22.944
   24    HA   ASP   5           HA       ASP   5  56.391   0.289  20.426
   25    HB2  ASP   5           HB2      ASP   5  57.881  -1.676  20.549
   26    HB3  ASP   5           HB3      ASP   5  57.216  -2.091  22.133
   27    HA   PRO   6           HA       PRO   6  53.825   1.691  23.987
   28    HB2  PRO   6           HB2      PRO   6  52.098   2.311  21.574
   29    HB3  PRO   6           HB3      PRO   6  52.251   3.222  23.113
   30    HG2  PRO   6           HG2      PRO   6  53.667   4.052  20.996
   31    HG3  PRO   6           HG3      PRO   6  54.494   3.889  22.580
   32    HD2  PRO   6           HD2      PRO   6  54.520   1.960  20.241
   33    HD3  PRO   6           HD3      PRO   6  55.880   2.515  21.259
   34    H    ARG   7           HN       ARG   7  52.705  -0.414  21.337
   35    HA   ARG   7           HA       ARG   7  50.386  -1.442  22.750
   36    HB2  ARG   7           HB2      ARG   7  51.817  -2.436  20.264
   37    HB3  ARG   7           HB3      ARG   7  50.295  -3.088  20.860
   38    HG2  ARG   7           HG2      ARG   7  50.696  -0.195  19.986
   39    HG3  ARG   7           HG3      ARG   7  50.028  -1.482  18.984
   40    HD2  ARG   7           HD2      ARG   7  48.134  -1.763  20.531
   41    HD3  ARG   7           HD3      ARG   7  48.791  -0.494  21.587
   42    HE   ARG   7           HE       ARG   7  48.567   0.590  18.983
   43   HH11  ARG   7          HH12      ARG   7  46.289  -0.514  21.413
   44   HH12  ARG   7          HH11      ARG   7  45.065   0.629  20.902
   45   HH21  ARG   7          HH21      ARG   7  47.048   2.061  18.469
   46   HH22  ARG   7          HH22      ARG   7  45.446   1.956  19.144
   47    H    CYS   8           HN       CYS   8  53.562  -2.039  23.498
   48    HA   CYS   8           HA       CYS   8  52.598  -4.318  25.202
   49    HB2  CYS   8           HB2      CYS   8  54.187  -4.991  23.316
   50    HB3  CYS   8           HB3      CYS   8  55.398  -4.003  24.086
   51    H    ALA   9           HN       ALA   9  54.437  -1.306  24.924
   52    HA   ALA   9           HA       ALA   9  55.857  -1.422  27.259
   53    HB1  ALA   9           HB1      ALA   9  56.051   0.306  25.458
   54    HB2  ALA   9           HB2      ALA   9  55.976   1.036  27.069
   55    HB3  ALA   9           HB3      ALA   9  54.539   1.046  26.033
   56    H    TRP  10           HN       TRP  10  52.457  -1.126  27.045
   57    HA   TRP  10           HA       TRP  10  51.715   0.412  29.272
   58    HB2  TRP  10           HB2      TRP  10  49.506  -0.653  28.874
   59    HB3  TRP  10           HB3      TRP  10  50.270  -0.006  27.444
   60    HD1  TRP  10           HD1      TRP  10  50.479  -1.507  25.432
   61    HE1  TRP  10           HE1      TRP  10  50.005  -3.963  24.872
   62    HE3  TRP  10           HE3      TRP  10  49.351  -3.197  30.125
   63    HZ2  TRP  10           HZ2      TRP  10  49.248  -6.360  26.276
   64    HZ3  TRP  10           HZ3      TRP  10  48.721  -5.580  30.477
   65    HH2  TRP  10           HH2      TRP  10  48.696  -7.170  28.578
   66    H    ARG  11           HN       ARG  11  52.925  -2.857  29.394
   67    HA   ARG  11           HA       ARG  11  52.557  -2.673  32.366
   68    HB2  ARG  11           HB2      ARG  11  52.094  -5.016  30.560
   69    HB3  ARG  11           HB3      ARG  11  52.975  -5.375  32.034
   70    HG2  ARG  11           HG2      ARG  11  50.318  -3.909  32.013
   71    HG3  ARG  11           HG3      ARG  11  50.489  -5.659  32.190
   72    HD2  ARG  11           HD2      ARG  11  51.756  -5.358  34.277
   73    HD3  ARG  11           HD3      ARG  11  51.678  -3.599  34.092
   74    HE   ARG  11           HE       ARG  11  49.132  -5.151  34.180
   75   HH11  ARG  11          HH11      ARG  11  51.147  -2.914  36.038
   76   HH12  ARG  11          HH12      ARG  11  49.692  -2.170  36.717
   77   HH21  ARG  11          HH22      ARG  11  47.497  -4.293  35.289
   78   HH22  ARG  11          HH21      ARG  11  47.808  -2.931  36.380
   79    H    CYS  12           HN       CYS  12  54.817  -2.512  29.953
   80    HA   CYS  12           HA       CYS  12  57.041  -3.509  31.645
   81    HB2  CYS  12           HB2      CYS  12  57.082  -2.362  28.846
   82    HB3  CYS  12           HB3      CYS  12  58.446  -3.046  29.718
   83    HN1  NH2  13           HN1      NH2  13  55.546  -1.108  32.634
   84    HN2  NH2  13           HN2      NH2  13  56.753   0.158  32.688
  Start of MODEL   20
    1    H1   GLY   1           HT1      GLY   1  60.997  -6.429  26.988
    2    H2   GLY   1           HT2      GLY   1  62.612  -6.583  27.221
    3    H3   GLY   1           HT3      GLY   1  61.980  -6.636  25.693
    4    HA2  GLY   1           HA1      GLY   1  61.857  -4.275  27.453
    5    HA3  GLY   1           HA2      GLY   1  63.113  -4.531  26.228
    6    H    81S   2           HN       81S   2  60.236  -3.054  26.799
    7    HA   81S   2           HA       81S   2  59.264  -3.118  23.944
    8    H5   81S   2           HB2      81S   2  57.645  -2.879  26.494
    9    H6   81S   2           HB3      81S   2  57.027  -3.073  24.872
   10    H7   81S   2           HG       81S   2  56.627  -5.103  25.950
   11    H8   81S   2           HD2      81S   2  59.038  -5.257  24.137
   12    H9   81S   2           HD3      81S   2  58.437  -6.706  24.923
   13    H    ALA   3           HN       ALA   3  60.666  -1.099  25.999
   14    HA   ALA   3           HA       ALA   3  59.156   1.038  26.683
   15    HB1  ALA   3           HB1      ALA   3  62.023   1.160  25.642
   16    HB2  ALA   3           HB2      ALA   3  61.522   0.710  27.290
   17    HB3  ALA   3           HB3      ALA   3  61.249   2.355  26.701
   18    H    SER   4           HN       SER   4  60.324   0.584  23.356
   19    HA   SER   4           HA       SER   4  58.817   3.022  22.489
   20    HB2  SER   4           HB2      SER   4  61.410   1.880  21.430
   21    HB3  SER   4           HB3      SER   4  60.446   3.083  20.545
   22    HG   SER   4           HG       SER   4  60.832   4.578  22.031
   23    H    ASP   5           HN       ASP   5  58.018   0.028  22.758
   24    HA   ASP   5           HA       ASP   5  56.526   0.114  20.163
   25    HB2  ASP   5           HB2      ASP   5  57.999  -1.864  20.355
   26    HB3  ASP   5           HB3      ASP   5  57.201  -2.323  21.857
   27    HA   PRO   6           HA       PRO   6  54.066   1.565  23.776
   28    HB2  PRO   6           HB2      PRO   6  52.330   2.496  21.472
   29    HB3  PRO   6           HB3      PRO   6  52.659   3.313  23.038
   30    HG2  PRO   6           HG2      PRO   6  54.049   4.067  20.867
   31    HG3  PRO   6           HG3      PRO   6  54.941   3.761  22.396
   32    HD2  PRO   6           HD2      PRO   6  54.601   1.927  20.012
   33    HD3  PRO   6           HD3      PRO   6  56.077   2.306  20.937
   34    H    ARG   7           HN       ARG   7  52.747  -0.348  21.112
   35    HA   ARG   7           HA       ARG   7  50.283  -1.237  22.301
   36    HB2  ARG   7           HB2      ARG   7  52.070  -2.786  20.382
   37    HB3  ARG   7           HB3      ARG   7  50.331  -2.962  20.603
   38    HG2  ARG   7           HG2      ARG   7  51.788  -0.602  19.340
   39    HG3  ARG   7           HG3      ARG   7  50.810  -1.813  18.520
   40    HD2  ARG   7           HD2      ARG   7  48.805  -1.023  19.721
   41    HD3  ARG   7           HD3      ARG   7  49.771   0.230  20.536
   42    HE   ARG   7           HE       ARG   7  50.120   0.429  17.704
   43   HH11  ARG   7          HH12      ARG   7  47.780   1.296  20.169
   44   HH12  ARG   7          HH11      ARG   7  47.041   2.518  19.168
   45   HH21  ARG   7          HH22      ARG   7  48.973   1.734  16.397
   46   HH22  ARG   7          HH21      ARG   7  47.665   2.712  17.002
   47    H    CYS   8           HN       CYS   8  53.474  -1.946  23.156
   48    HA   CYS   8           HA       CYS   8  52.816  -4.343  24.840
   49    HB2  CYS   8           HB2      CYS   8  54.240  -4.323  22.570
   50    HB3  CYS   8           HB3      CYS   8  55.467  -3.631  23.563
   51    H    ALA   9           HN       ALA   9  53.666  -1.079  25.073
   52    HA   ALA   9           HA       ALA   9  55.716  -1.458  27.094
   53    HB1  ALA   9           HB1      ALA   9  55.996   0.943  26.885
   54    HB2  ALA   9           HB2      ALA   9  54.447   1.091  26.029
   55    HB3  ALA   9           HB3      ALA   9  55.812   0.249  25.269
   56    H    TRP  10           HN       TRP  10  52.381  -1.446  27.324
   57    HA   TRP  10           HA       TRP  10  51.870   0.444  29.376
   58    HB2  TRP  10           HB2      TRP  10  49.621  -0.758  29.409
   59    HB3  TRP  10           HB3      TRP  10  50.143   0.018  27.926
   60    HD1  TRP  10           HD1      TRP  10  50.530  -1.438  25.819
   61    HE1  TRP  10           HE1      TRP  10  50.081  -3.887  25.207
   62    HE3  TRP  10           HE3      TRP  10  49.427  -3.247  30.484
   63    HZ2  TRP  10           HZ2      TRP  10  49.270  -6.312  26.554
   64    HZ3  TRP  10           HZ3      TRP  10  48.788  -5.634  30.778
   65    HH2  TRP  10           HH2      TRP  10  48.703  -7.165  28.832
   66    H    ARG  11           HN       ARG  11  52.953  -2.859  29.746
   67    HA   ARG  11           HA       ARG  11  52.947  -2.387  32.712
   68    HB2  ARG  11           HB2      ARG  11  52.179  -4.801  31.086
   69    HB3  ARG  11           HB3      ARG  11  53.144  -5.113  32.518
   70    HG2  ARG  11           HG2      ARG  11  50.578  -3.468  32.587
   71    HG3  ARG  11           HG3      ARG  11  50.660  -5.217  32.836
   72    HD2  ARG  11           HD2      ARG  11  52.341  -4.797  34.683
   73    HD3  ARG  11           HD3      ARG  11  51.973  -3.073  34.562
   74    HE   ARG  11           HE       ARG  11  49.487  -4.045  34.899
   75   HH11  ARG  11          HH12      ARG  11  52.390  -4.685  36.775
   76   HH12  ARG  11          HH11      ARG  11  51.483  -5.562  37.998
   77   HH21  ARG  11          HH22      ARG  11  48.405  -4.912  36.602
   78   HH22  ARG  11          HH21      ARG  11  49.275  -5.523  37.997
   79    H    CYS  12           HN       CYS  12  54.899  -3.382  29.912
   80    HA   CYS  12           HA       CYS  12  57.170  -4.220  31.375
   81    HB2  CYS  12           HB2      CYS  12  57.014  -2.801  28.707
   82    HB3  CYS  12           HB3      CYS  12  58.496  -3.469  29.397
   83    HN1  NH2  13           HN1      NH2  13  59.096  -3.241  32.143
   84    HN2  NH2  13           HN2      NH2  13  59.182  -1.528  32.469