*HEADER    UNKNOWN FUNCTION                        19-AUG-20   7JU9              
*TITLE     SOLUTION NMR STRUCTURE OF PROCHLOROSIN 2.11 (PCN2.11) PRODUCED BY     
*TITLE    2 PROCHLOROCOCCUS MIT 9313                                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PROCHLOROSIN 2.11;                                         
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: PCN2.11;                                                    
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: PROCHLOROCOCCUS MARINUS STR. MIT 9313;          
*SOURCE   3 ORGANISM_TAXID: 74547;                                               
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);                       
*SOURCE   5 EXPRESSION_SYSTEM_TAXID: 469008;                                     
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)                                  
*KEYWDS    LANTHIPEPTIDE, CYCLIC PEPTIDE, POSTTRANSLATIONAL MODIFICATION, RIPP,  
*KEYWDS   2 UNKNOWN FUNCTION                                                     
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    S.C.BOBEICA,W.A.VAN DER DONK,L.ZHU                                    
*REVDAT   1   09-SEP-20 7JU9    0                                                
# Restraints file 1: ProcA211_noe.tbl
assign (residue 12 and name HG#) (residue 15 and name HA) 3.5 1.7 1.0 
assign (residue 6 and name HB1) (residue 12 and name HA) 3.5 1.7 1.0
assign (residue 6 and name HB1) (residue 12 and name HB2) 3.5 1.7 1.0 
assign (residue 6 and name HB2) (residue 12 and name HA) 3.5 1.7 1.0
assign (residue 12 and name HG#) (residue 13 and name HB2) 3.5 1.7 1.0
assign (residue 13 and name HB2) (residue 19 and name HB1) 3.5 1.7 1.0
assign (residue 2 and name HA) (residue 2 and name HN) 4.5 2.7 1.0
assign (residue 3 and name HA) (residue 3 and name HN) 4.5 2.7 1.0
assign (residue 3 and name HA) (residue 9 and name HN) 4.5 2.7 1.0
assign (residue 3 and name HB) (residue 4 and name HN) 4.5 2.7 1.0
assign (residue 3 and name HG12) (residue 3 and name HN) 4.5 2.7 1.0
assign (residue 3 and name HG2#) (residue 3 and name HN) 4.5 2.7 1.0
assign (residue 4 and name HB1) (residue 4 and name HN) 4.5 2.7 1.0
assign (residue 4 and name HB2) (residue 4 and name HN) 4.5 2.7 1.0
assign (residue 4 and name HB1) (residue 5 and name HN) 4.5 2.7 1.0
assign (residue 4 and name HB2) (residue 5 and name HN) 4.5 2.7 1.0
assign (residue 4 and name HN) (residue 5 and name HN) 4.5 2.7 1.0
assign (residue 5 and name HB) (residue 6 and name HN) 4.5 2.7 1.0
assign (residue 5 and name HN) (residue 6 and name HN) 4.5 2.7 1.0
assign (residue 6 and name HB2) (residue 12 and name HA) 4.5 2.7 1.0
assign (residue 6 and name HB1) (residue 9 and name HN) 4.5 2.7 1.0
assign (residue 6 and name HB2) (residue 12 and name HN) 4.5 2.7 1.0
assign (residue 6 and name HB2) (residue 13 and name HN) 4.5 2.7 1.0
assign (residue 7 and name HB1) (residue 8 and name HN) 4.5 2.7 1.0
assign (residue 8 and name HN) (residue 7 and name HB2) 4.5 2.7 1.0
assign (residue 8 and name HA) (residue 8 and name HN) 4.5 2.7 1.0 
assign (residue 8 and name HB#) (residue 9 and name HN) 3.5 1.7 1.0
assign (residue 9 and name HA2) (residue 10 and name HN) 4.5 2.7 1.0
assign (residue 9 and name HA2) (residue 12 and name HN) 4.5 2.7 1.0
assign (residue 10 and name HA1) (residue 11 and name HN) 4.5 2.7 1.0
assign (residue 10 and name HN) (residue 11 and name HN) 4.5 2.7 1.0
assign (residue 11 and name HA1) (residue 12 and name HN) 4.5 2.7 1.0
assign (residue 11 and name HN) (residue 12 and name HN) 4.5 2.7 1.0
assign (residue 12 and name HG#) (residue 12 and name HN) 4.5 2.7 1.0
assign (residue 12 and name HN) (residue 13 and name HN) 4.5 2.7 1.0
assign (residue 13 and name HB2) (residue 13 and name HN) 4.5 2.7 1.0
assign (residue 13 and name HB2) (residue 14 and name HN) 4.5 2.7 1.0
assign (residue 13 and name HB2) (residue 16 and name HN) 4.5 2.7 1.0
assign (residue 13 and name HB2) (residue 19 and name HN) 4.5 2.7 1.0
assign (residue 13 and name HB3) (residue 12 and name HN) 4.5 2.7 1.0
assign (residue 13 and name HB3) (residue 14 and name HN) 4.5 2.7 1.0
assign (residue 20 and name HB2) (residue 17 and name HN) 4.5 2.7 1.0 
assign (residue 13 and name HB3) (residue 19 and name HN) 4.5 2.7 1.0
assign (residue 19 and name HB1) (residue 13 and name HN) 4.5 2.7 1.0
assign (residue 13 and name HN) (residue 13 and name HB3) 4.5 2.7 1.0 
assign (residue 14 and name HA) (residue 14 and name HN) 4.5 2.7 1.0
assign (residue 14 and name HB2) (residue 14 and name HN) 4.5 2.7 1.0
assign (residue 15 and name HA) (residue 15 and name HG#) 4.5 2.7 1.0
assign (residue 15 and name HA) (residue 16 and name HN) 4.5 2.7 1.0
assign (residue 15 and name HG#) (residue 15 and name HN) 4.5 2.7 1.0
assign (residue 13 and name HN) (residue 12 and name HG#) 4.5 2.7 1.0 
assign (residue 15 and name HN) (residue 15 and name HB2) 4.5 2.7 1.0
assign (residue 16 and name HN) (residue 13 and name HB#) 4.5 2.7 1.0
assign (residue 16 and name HN) (residue 20 and name HB2) 4.5 2.7 1.0
assign (residue 17 and name HA2) (residue 17 and name HN) 4.5 2.7 1.0 
assign (residue 18 and name HN) (residue 19 and name HN) 4.5 2.7 1.0
assign (residue 19 and name HB1) (residue 19 and name HN) 4.5 2.7 1.0
assign (residue 19 and name HB1) (residue 20 and name HN) 4.5 2.7 1.0
assign (residue 20 and name HA) (residue 20 and name HN) 4.5 2.7 1.0
assign (residue 20 and name HB1) (residue 20 and name HN) 4.5 2.7 1.0
assign (residue 20 and name HB2) (residue 20 and name HA) 4.5 2.7 1.0
assign (residue 3 and name HD1#) (residue 3 and name HN) 2.5 0.7 0.8
assign (residue 16 and name HA) (residue 17 and name HN) 2.5 0.7 0.8 
assign (residue 2 and name HA) (residue 3 and name HN) 3.5 1.7 1.0
assign (residue 2 and name HB2) (residue 3 and name HN) 3.5 1.7 1.0
assign (residue 3 and name HA) (residue 4 and name HN) 3.5 1.7 1.0
assign (residue 3 and name HA) (residue 8 and name HN) 3.5 1.7 1.0
assign (residue 3 and name HB) (residue 3 and name HN) 3.5 1.7 1.0
assign (residue 3 and name HN) (residue 4 and name HN) 3.5 1.7 1.0
assign (residue 4 and name HA) (residue 5 and name HN) 3.5 1.7 1.0
assign (residue 5 and name HB) (residue 5 and name HG#) 3.5 1.7 1.0
assign (residue 5 and name HG#) (residue 5 and name HN) 3.5 1.7 1.0
assign (residue 6 and name HB1) (residue 6 and name HN) 3.5 1.7 1.0
assign (residue 6 and name HB2) (residue 6 and name HN) 3.5 1.7 1.0 
assign (residue 7 and name HA) (residue 7 and name HB2) 3.5 1.7 1.0
assign (residue 8 and name HA) (residue 9 and name HN) 3.5 1.7 1.0
assign (residue 8 and name HB#) (residue 8 and name HN) 3.5 1.7 1.0
assign (residue 9 and name HA2) (residue 9 and name HN) 3.5 1.7 1.0
assign (residue 9 and name HN) (residue 8 and name HN) 3.5 1.7 1.0
assign (residue 10 and name HA1) (residue 10 and name HN) 3.5 1.7 1.0
assign (residue 10 and name HA2) (residue 10 and name HN) 3.5 1.7 1.0
assign (residue 12 and name HA) (residue 12 and name HB2) 3.5 1.7 1.0
assign (residue 12 and name HA) (residue 12 and name HN) 3.5 1.7 1.0
assign (residue 12 and name HA) (residue 13 and name HN) 3.5 1.7 1.0
assign (residue 12 and name HB2) (residue 12 and name HN) 3.5 1.7 1.0
assign (residue 13 and name HA) (residue 13 and name HN) 3.5 1.7 1.0
assign (residue 13 and name HA) (residue 14 and name HN) 4.5 1.7 1.0 
assign (residue 13 and name HN) (residue 14 and name HN) 3.5 1.7 1.0
assign (residue 14 and name HB1) (residue 14 and name HN) 3.5 1.7 1.0 
assign (residue 15 and name HA) (residue 15 and name HN) 3.5 1.7 1.0
assign (residue 15 and name HB1) (residue 15 and name HN) 3.5 1.7 1.0
assign (residue 15 and name HB2) (residue 15 and name HN) 3.5 1.7 1.0 
assign (residue 15 and name HN) (residue 16 and name HN) 3.5 1.7 1.0
assign (residue 16 and name HB2) (residue 17 and name HN) 3.5 1.7 1.0
assign (residue 16 and name HB2) (residue 20 and name HB1) 4.5 2.7 1.0 
assign (residue 16 and name HB2) (residue 20 and name HB2) 3.5 1.7 1.0
assign (residue 17 and name HA1) (residue 17 and name HN) 3.5 1.7 1.0
assign (residue 17 and name HA1) (residue 18 and name HN) 3.5 1.7 1.0
assign (residue 17 and name HA2) (residue 18 and name HN) 3.5 1.7 1.0
assign (residue 17 and name HN) (residue 16 and name HB2) 3.5 1.7 1.0
assign (residue 18 and name HG#) (residue 18 and name HN) 3.5 1.7 1.0
assign (residue 19 and name HB2) (residue 19 and name HN) 3.5 1.7 1.0
assign (residue 19 and name HN) (residue 20 and name HN) 3.5 1.7 1.0
assign (residue 2 and name HD#) (residue 2 and name HA) 4.5 2.7 1.0 
assign (residue 3 and name HD1#) (residue 2 and name HB2) 4.5 2.7 1.0 
assign (residue 6 and name HB2) (residue 12 and name HB2) 4.5 2.7 1.0 
assign (residue 6 and name HB1) (residue 12 and name HB2) 4.5 2.7 1.0 
assign (residue 15 and name HB2) (residue 11 and name HA1) 4.5 2.7 1.0
assign (residue 12 and name HG#) (residue 15 and name HG#) 4.5 2.7 1.0 
assign (residue 15 and name HB1) (residue 9 and name HA1) 4.5 2.7 1.0 
assign (residue 15 and name HB2) (residue 11 and name HA1) 5.0 3.2 1.0 
assign (residue 16 and name HG#) (residue 16 and name HA) 4.5 2.7 1.0 
assign (residue 18 and name HG#) (residue 10 and name HA2) 5.0 3.3 1.0  
assign (residue 18 and name HG#) (residue 10 and name HA1) 4.5 2.7 1.0 
assign (residue 18 and name HG#) (residue 12 and name HA) 4.5 2.7 1.0 
assign (residue 18 and name HG#) (residue 17 and name HA1) 5.0 3.3 1.0  
assign (residue 18 and name HG#) (residue 17 and name HA2) 4.5 2.7 1.0  
assign (residue 19 and name HB2) (residue 13 and name HB3) 4.5 2.7 1.0 
assign (residue 3 and name HD1#) (residue 3 and name HB) 2.5 0.7 0.8
assign (residue 3 and name HD1#) (residue 3 and name HG12) 2.5 0.7 0.8
assign (residue 19 and name HB2) (residue 13 and name HB2) 2.5 0.7 0.8
assign (residue 2 and name HB1) (residue 2 and name HD#) 3.5 1.7 1.0 
assign (residue 2 and name HB1) (residue 3 and name HA) 3.5 1.7 1.0
assign (residue 2 and name HB2) (residue 2 and name HD#) 3.5 1.7 1.0 
assign (residue 2 and name HG1) (residue 2 and name HA) 3.5 1.7 1.0
assign (residue 2 and name HG2) (residue 2 and name HA) 3.5 1.7 1.0
assign (residue 3 and name HD1#) (residue 3 and name HA) 3.5 1.7 1.0
assign (residue 3 and name HD1#) (residue 3 and name HG11) 3.5 1.7 1.0
assign (residue 3 and name HD1#) (residue 18 and name HG#) 3.5 1.7 1.0
assign (residue 3 and name HG11) (residue 3 and name HA) 3.5 1.7 1.0
assign (residue 3 and name HG12) (residue 3 and name HA) 3.5 1.7 1.0 
assign (residue 3 and name HG12) (residue 18 and name HG#) 3.5 1.7 1.0
assign (residue 3 and name HG2#) (residue 3 and name HA) 3.5 1.7 1.0
assign (residue 3 and name HG2#) (residue 3 and name HB) 3.5 1.7 1.0
assign (residue 3 and name HG2#) (residue 3 and name HG11) 3.5 1.7 1.0
assign (residue 3 and name HG2#) (residue 3 and name HG12) 3.5 1.7 1.0 
assign (residue 6 and name HB1) (residue 17 and name HA1) 3.5 1.7 1.0
assign (residue 6 and name HB2) (residue 12 and name HA) 3.5 1.7 1.0
assign (residue 6 and name HB2) (residue 17 and name HA1) 3.5 1.7 1.0
assign (residue 7 and name HG#) (residue 7 and name HB2) 3.5 1.7 1.0 
assign (residue 7 and name HG#) (residue 7 and name HD1) 3.5 1.7 1.0
assign (residue 12 and name HG#) (residue 6 and name HA) 3.5 1.7 1.0
assign (residue 12 and name HG#) (residue 6 and name HB2) 3.5 1.7 1.0
assign (residue 12 and name HG#) (residue 12 and name HA) 3.5 1.7 1.0
assign (residue 12 and name HG#) (residue 6 and name HB1) 3.5 1.7 1.0
assign (residue 12 and name HG#) (residue 15 and name HB2) 3.5 1.7 1.0
assign (residue 13 and name HB2) (residue 19 and name HB1) 3.5 1.7 1.0
assign (residue 13 and name HB3) (residue 19 and name HB1) 3.5 1.7 1.0
assign (residue 14 and name HG#) (residue 14 and name HA) 3.5 1.7 1.0
assign (residue 15 and name HG#) (residue 15 and name HA) 3.5 1.7 1.0
assign (residue 16 and name HB2) (residue 16 and name HA) 3.5 1.7 1.0
assign (residue 19 and name HB1) (residue 13 and name HA) 3.5 1.7 1.0
assign (residue 19 and name HB2) (residue 13 and name HA) 4.0 2.2 1.5
assign (residue 19 and name HB2) (residue 13 and name HB2) 4.0 2.2 1.0 
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           HT1      GLY   1   8.211   3.061   8.693
    2    H2   GLY   1           HT2      GLY   1   9.028   3.519  10.112
    3    H3   GLY   1           HT3      GLY   1   9.548   2.164   9.228
    4    HA2  GLY   1           HA2      GLY   1   9.464   4.762   7.873
    5    HA3  GLY   1           HA1      GLY   1  10.778   4.442   9.008
    6    H    ARG   2           HN       ARG   2  12.385   3.011   8.461
    7    HA   ARG   2           HA       ARG   2  12.768   2.437   5.703
    8    HB2  ARG   2           HB2      ARG   2  14.217   1.414   8.155
    9    HB3  ARG   2           HB1      ARG   2  14.756   1.165   6.494
   10    HG2  ARG   2           HG2      ARG   2  14.260   3.894   7.716
   11    HG3  ARG   2           HG1      ARG   2  15.847   3.131   7.620
   12    HD2  ARG   2           HD2      ARG   2  15.689   3.034   5.184
   13    HD3  ARG   2           HD1      ARG   2  14.062   3.704   5.238
   14    HE   ARG   2           HE       ARG   2  16.561   5.161   5.760
   15   HH11  ARG   2          HH11      ARG   2  13.100   5.072   5.577
   16   HH12  ARG   2          HH12      ARG   2  12.926   6.793   5.504
   17   HH21  ARG   2          HH21      ARG   2  16.332   7.416   5.662
   18   HH22  ARG   2          HH22      ARG   2  14.752   8.118   5.552
   19    H    ILE   3           HN       ILE   3  12.782   0.451   4.626
   20    HA   ILE   3           HA       ILE   3  12.158  -1.714   4.150
   21    HB   ILE   3           HB       ILE   3  11.653  -1.977   7.124
   22   HG12  ILE   3          HG12      ILE   3  13.982  -1.311   6.622
   23   HG13  ILE   3          HG11      ILE   3  13.910  -2.983   7.181
   24   HG21  ILE   3          HG21      ILE   3  11.875  -4.379   6.674
   25   HG22  ILE   3          HG22      ILE   3  12.142  -4.049   4.962
   26   HG23  ILE   3          HG23      ILE   3  10.576  -3.698   5.694
   27   HD11  ILE   3          HD11      ILE   3  14.805  -1.937   4.616
   28   HD12  ILE   3          HD12      ILE   3  13.550  -3.160   4.413
   29   HD13  ILE   3          HD13      ILE   3  15.022  -3.547   5.302
   30    H    ASP   4           HN       ASP   4  10.203   0.572   5.739
   31    HA   ASP   4           HA       ASP   4   7.723  -0.776   5.833
   32    HB2  ASP   4           HB2      ASP   4   8.125   1.362   6.979
   33    HB3  ASP   4           HB1      ASP   4   8.284   2.169   5.420
   34    H    DBU   5           HN       DHB   5   9.312   1.117   3.280
   35    HB   DBU   5           HB       DHB   5   7.036   1.348  -0.095
   36    HG1  DBU   5           HG1      DHB   5   5.207   2.287   1.158
   37    HG2  DBU   5           HG2      DHB   5   6.009   1.966   2.696
   38    HG3  DBU   5           HG3      DHB   5   6.522   3.329   1.699
   39    H    CYS   6           HN       CYS   6  10.365  -0.243   2.367
   40    HA   CYS   6           HA       CYS   6  10.841  -1.673  -0.178
   41    HB2  CYS   6           HB2      CYS   6  12.287   0.386   0.177
   42    HB3  CYS   6           HB1      CYS   6  13.012  -0.466   1.539
   43    HA   PRO   7           HA       PRO   7  10.901  -4.486   3.604
   44    HB2  PRO   7           HB2      PRO   7   9.292  -6.181   1.787
   45    HB3  PRO   7           HB1      PRO   7   8.990  -5.739   3.476
   46    HG2  PRO   7           HG2      PRO   7   7.556  -4.726   1.450
   47    HG3  PRO   7           HG1      PRO   7   7.917  -3.801   2.918
   48    HD2  PRO   7           HD2      PRO   7   9.141  -3.566   0.195
   49    HD3  PRO   7           HD1      PRO   7   8.813  -2.300   1.400
   50    H    ALA   8           HN       ALA   8  12.303  -6.211   3.815
   51    HA   ALA   8           HA       ALA   8  14.144  -7.479   3.245
   52    HB1  ALA   8           HB1      ALA   8  13.682  -9.222   1.649
   53    HB2  ALA   8           HB2      ALA   8  12.397  -8.270   0.905
   54    HB3  ALA   8           HB3      ALA   8  12.194  -8.902   2.540
   55    H    GLY   9           HN       GLY   9  13.630  -4.751   1.815
   56    HA2  GLY   9           HA2      GLY   9  15.616  -5.159  -0.344
   57    HA3  GLY   9           HA1      GLY   9  14.347  -3.939  -0.408
   58    H    GLY  10           HN       GLY  10  17.513  -4.702   0.685
   59    HA2  GLY  10           HA2      GLY  10  17.875  -2.725   2.675
   60    HA3  GLY  10           HA1      GLY  10  19.156  -3.453   1.708
   61    H    GLY  11           HN       GLY  11  18.103  -2.669  -0.838
   62    HA2  GLY  11           HA2      GLY  11  18.945   0.139  -0.824
   63    HA3  GLY  11           HA1      GLY  11  18.853  -0.913  -2.233
   64    H    DBB  12           HN       DBB  12  16.621   0.269   0.290
   65    HA   DBB  12           HA       DBB  12  14.455   1.017   0.174
   66    HB2  DBB  12           HB2      DBB  12  14.625  -0.466  -2.449
   67    HG1  DBB  12           HG1      DBB  12  12.053  -0.059  -2.383
   68    HG2  DBB  12           HG2      DBB  12  13.103   1.206  -3.023
   69    HG3  DBB  12           HG3      DBB  12  12.469   1.333  -1.385
   70    H    DAL  13           HN       DAL  13  16.409   1.611  -2.726
   71    HA   DAL  13           HA       DAL  13  16.789   3.515  -3.925
   72    HB1  DAL  13           HB2      DAL  13  15.893   4.529  -1.301
   73    HB2  DAL  13           HB3      DAL  13  17.315   4.947  -2.253
   74    H    GLU  14           HN       GLU  14  15.625   4.045  -5.799
   75    HA   GLU  14           HA       GLU  14  13.002   5.150  -5.682
   76    HB2  GLU  14           HB2      GLU  14  14.637   5.658  -7.482
   77    HB3  GLU  14           HB1      GLU  14  14.495   3.996  -8.053
   78    HG2  GLU  14           HG2      GLU  14  13.024   5.369  -9.391
   79    HG3  GLU  14           HG1      GLU  14  12.024   4.378  -8.334
   80    H    GLN  15           HN       GLN  15  14.071   2.046  -5.246
   81    HA   GLN  15           HA       GLN  15  12.187   0.511  -6.706
   82    HB2  GLN  15           HB2      GLN  15  13.749  -0.083  -4.185
   83    HB3  GLN  15           HB1      GLN  15  12.753  -1.275  -5.018
   84    HG2  GLN  15           HG2      GLN  15  15.041   0.262  -6.279
   85    HG3  GLN  15           HG1      GLN  15  15.139  -1.402  -5.705
   86   HE21  GLN  15          HE21      GLN  15  14.891   0.217  -8.527
   87   HE22  GLN  15          HE22      GLN  15  13.919  -0.855  -9.415
   88    H    DBB  16           HN       DBB  16  11.982   2.298  -3.728
   89    HA   DBB  16           HA       DBB  16   9.606   0.965  -2.771
   90    HB2  DBB  16           HB2      DBB  16   7.961   2.452  -3.388
   91    HG1  DBB  16           HG1      DBB  16  10.068   2.684  -5.540
   92    HG2  DBB  16           HG2      DBB  16   8.405   3.226  -5.743
   93    HG3  DBB  16           HG3      DBB  16   8.748   1.519  -5.455
   94    H    GLY  17           HN       GLY  17   8.625   2.229  -0.920
   95    HA2  GLY  17           HA2      GLY  17   8.981   4.033   0.718
   96    HA3  GLY  17           HA1      GLY  17   9.676   2.533   1.319
   97    H    DBU  18           HN       DHB  18  11.774   2.533   1.870
   98    HB   DBU  18           HB       DHB  18  15.398   3.664   2.048
   99    HG1  DBU  18           HG1      DHB  18  15.285   1.175   1.936
  100    HG2  DBU  18           HG2      DHB  18  14.636   1.649   3.506
  101    HG3  DBU  18           HG3      DHB  18  13.540   1.225   2.191
  102    H    CYS  19           HN       CYS  19  13.706   4.697  -0.783
  103    HA   CYS  19           HA       CYS  19  13.611   7.530   0.051
  104    HB2  CYS  19           HB2      CYS  19  15.470   8.047  -1.278
  105    HB3  CYS  19           HB1      CYS  19  15.921   6.515  -0.545
  106    H    CYS  20           HN       CYS  20  12.641   5.073  -2.175
  107    HA   CYS  20           HA       CYS  20  11.937   6.454  -4.452
  108    HB2  CYS  20           HB2      CYS  20  10.849   4.554  -5.011
  109    HB3  CYS  20           HB1      CYS  20  11.490   3.922  -3.495
  Start of MODEL    2
    1    H1   GLY   1           HT1      GLY   1   8.144   4.040   6.276
    2    H2   GLY   1           HT2      GLY   1   8.441   4.656   7.832
    3    H3   GLY   1           HT3      GLY   1   6.886   4.116   7.411
    4    HA2  GLY   1           HA2      GLY   1   8.510   2.623   8.809
    5    HA3  GLY   1           HA1      GLY   1   7.405   1.928   7.623
    6    H    ARG   2           HN       ARG   2   9.859   3.890   6.299
    7    HA   ARG   2           HA       ARG   2  11.435   3.290   4.692
    8    HB2  ARG   2           HB2      ARG   2  12.333   1.900   7.222
    9    HB3  ARG   2           HB1      ARG   2  13.347   2.064   5.789
   10    HG2  ARG   2           HG2      ARG   2  13.157   4.507   5.905
   11    HG3  ARG   2           HG1      ARG   2  12.092   4.372   7.304
   12    HD2  ARG   2           HD2      ARG   2  13.889   3.283   8.582
   13    HD3  ARG   2           HD1      ARG   2  14.955   3.381   7.183
   14    HE   ARG   2           HE       ARG   2  15.184   5.694   7.562
   15   HH11  ARG   2          HH11      ARG   2  12.870   4.207   9.661
   16   HH12  ARG   2          HH12      ARG   2  12.771   5.560  10.738
   17   HH21  ARG   2          HH21      ARG   2  15.060   7.473   8.970
   18   HH22  ARG   2          HH22      ARG   2  14.011   7.409  10.347
   19    H    ILE   3           HN       ILE   3  11.804   0.268   6.432
   20    HA   ILE   3           HA       ILE   3  11.847  -1.338   4.145
   21    HB   ILE   3           HB       ILE   3  11.149  -2.074   6.997
   22   HG12  ILE   3          HG12      ILE   3  13.749  -2.419   5.481
   23   HG13  ILE   3          HG11      ILE   3  13.414  -1.021   6.503
   24   HG21  ILE   3          HG21      ILE   3  10.360  -3.819   5.518
   25   HG22  ILE   3          HG22      ILE   3  11.872  -4.368   6.241
   26   HG23  ILE   3          HG23      ILE   3  11.854  -3.767   4.583
   27   HD11  ILE   3          HD11      ILE   3  12.763  -3.483   7.890
   28   HD12  ILE   3          HD12      ILE   3  13.865  -2.194   8.372
   29   HD13  ILE   3          HD13      ILE   3  14.437  -3.502   7.336
   30    H    ASP   4           HN       ASP   4   9.238   0.267   5.497
   31    HA   ASP   4           HA       ASP   4   7.145  -1.614   5.115
   32    HB2  ASP   4           HB2      ASP   4   5.666   0.377   5.166
   33    HB3  ASP   4           HB1      ASP   4   6.823   0.366   6.496
   34    H    DBU   5           HN       DHB   5   8.672   0.788   3.008
   35    HB   DBU   5           HB       DHB   5   7.006   1.158  -0.648
   36    HG1  DBU   5           HG1      DHB   5   5.401   2.602   0.274
   37    HG2  DBU   5           HG2      DHB   5   5.259   1.505   1.648
   38    HG3  DBU   5           HG3      DHB   5   6.441   2.814   1.682
   39    H    CYS   6           HN       CYS   6  10.169  -0.271   1.929
   40    HA   CYS   6           HA       CYS   6  10.726  -1.902  -0.478
   41    HB2  CYS   6           HB2      CYS   6  12.069   0.245  -0.200
   42    HB3  CYS   6           HB1      CYS   6  12.808  -0.513   1.210
   43    HA   PRO   7           HA       PRO   7  10.639  -4.601   3.350
   44    HB2  PRO   7           HB2      PRO   7   9.728  -6.487   1.234
   45    HB3  PRO   7           HB1      PRO   7   9.071  -6.207   2.857
   46    HG2  PRO   7           HG2      PRO   7   7.815  -5.318   0.694
   47    HG3  PRO   7           HG1      PRO   7   7.847  -4.378   2.195
   48    HD2  PRO   7           HD2      PRO   7   9.402  -3.945  -0.329
   49    HD3  PRO   7           HD1      PRO   7   8.722  -2.749   0.795
   50    H    ALA   8           HN       ALA   8  12.361  -5.818   3.951
   51    HA   ALA   8           HA       ALA   8  14.564  -6.559   3.746
   52    HB1  ALA   8           HB1      ALA   8  13.993  -8.545   1.745
   53    HB2  ALA   8           HB2      ALA   8  12.630  -8.415   2.857
   54    HB3  ALA   8           HB3      ALA   8  14.245  -8.759   3.477
   55    H    GLY   9           HN       GLY   9  13.824  -4.413   1.826
   56    HA2  GLY   9           HA2      GLY   9  15.658  -5.112  -0.390
   57    HA3  GLY   9           HA1      GLY   9  14.345  -3.947  -0.525
   58    H    GLY  10           HN       GLY  10  17.130  -4.513   1.643
   59    HA2  GLY  10           HA2      GLY  10  17.699  -2.221   2.792
   60    HA3  GLY  10           HA1      GLY  10  18.978  -3.065   1.923
   61    H    GLY  11           HN       GLY  11  18.118  -2.691  -0.705
   62    HA2  GLY  11           HA2      GLY  11  18.871   0.087  -1.108
   63    HA3  GLY  11           HA1      GLY  11  18.695  -1.142  -2.357
   64    H    DBB  12           HN       DBB  12  16.482   0.180   0.113
   65    HA   DBB  12           HA       DBB  12  14.302   0.898  -0.050
   66    HB2  DBB  12           HB2      DBB  12  14.555  -0.564  -2.683
   67    HG1  DBB  12           HG1      DBB  12  12.379   1.238  -1.666
   68    HG2  DBB  12           HG2      DBB  12  11.961  -0.176  -2.634
   69    HG3  DBB  12           HG3      DBB  12  13.015   1.070  -3.303
   70    H    DAL  13           HN       DAL  13  16.394   1.511  -2.825
   71    HA   DAL  13           HA       DAL  13  16.729   3.383  -4.114
   72    HB1  DAL  13           HB2      DAL  13  16.202   4.314  -1.406
   73    HB2  DAL  13           HB3      DAL  13  17.377   4.898  -2.585
   74    H    GLU  14           HN       GLU  14  15.547   4.784  -5.578
   75    HA   GLU  14           HA       GLU  14  12.906   5.575  -5.406
   76    HB2  GLU  14           HB2      GLU  14  12.923   5.711  -7.847
   77    HB3  GLU  14           HB1      GLU  14  14.463   6.279  -7.198
   78    HG2  GLU  14           HG2      GLU  14  15.484   4.095  -7.653
   79    HG3  GLU  14           HG1      GLU  14  13.944   3.484  -8.254
   80    H    GLN  15           HN       GLN  15  14.078   2.417  -5.508
   81    HA   GLN  15           HA       GLN  15  12.134   1.055  -7.009
   82    HB2  GLN  15           HB2      GLN  15  14.349   0.295  -5.646
   83    HB3  GLN  15           HB1      GLN  15  13.092  -0.272  -4.545
   84    HG2  GLN  15           HG2      GLN  15  13.599  -2.043  -6.134
   85    HG3  GLN  15           HG1      GLN  15  11.984  -1.418  -6.469
   86   HE21  GLN  15          HE21      GLN  15  11.716  -1.364  -8.704
   87   HE22  GLN  15          HE22      GLN  15  12.881  -0.811  -9.808
   88    H    DBB  16           HN       DBB  16  12.028   2.459  -3.821
   89    HA   DBB  16           HA       DBB  16   9.630   1.070  -3.007
   90    HB2  DBB  16           HB2      DBB  16   8.344   3.325  -2.917
   91    HG1  DBB  16           HG1      DBB  16   8.621   2.510  -5.747
   92    HG2  DBB  16           HG2      DBB  16   7.189   2.558  -4.719
   93    HG3  DBB  16           HG3      DBB  16   8.307   1.198  -4.612
   94    H    GLY  17           HN       GLY  17   8.971   1.624  -0.872
   95    HA2  GLY  17           HA2      GLY  17   9.560   3.531   0.859
   96    HA3  GLY  17           HA1      GLY  17   9.758   1.847   1.336
   97    H    DBU  18           HN       DHB  18  11.270   4.196   2.239
   98    HB   DBU  18           HB       DHB  18  15.283   3.575   2.663
   99    HG1  DBU  18           HG1      DHB  18  14.629   1.097   2.541
  100    HG2  DBU  18           HG2      DHB  18  14.294   1.768   4.137
  101    HG3  DBU  18           HG3      DHB  18  12.983   1.559   2.977
  102    H    CYS  19           HN       CYS  19  13.372   4.776  -0.440
  103    HA   CYS  19           HA       CYS  19  13.894   7.591   0.257
  104    HB2  CYS  19           HB2      CYS  19  15.757   7.779  -1.113
  105    HB3  CYS  19           HB1      CYS  19  15.984   6.161  -0.450
  106    H    CYS  20           HN       CYS  20  12.071   5.366  -1.444
  107    HA   CYS  20           HA       CYS  20  11.541   6.346  -3.928
  108    HB2  CYS  20           HB2      CYS  20  10.150   4.748  -2.024
  109    HB3  CYS  20           HB1      CYS  20   9.005   5.912  -2.691
  Start of MODEL    3
    1    H1   GLY   1           HT1      GLY   1   7.363   1.989   8.394
    2    H2   GLY   1           HT2      GLY   1   7.293   2.308  10.062
    3    H3   GLY   1           HT3      GLY   1   7.285   0.705   9.499
    4    HA2  GLY   1           HA2      GLY   1   9.499   2.456  10.005
    5    HA3  GLY   1           HA1      GLY   1   9.470   0.699   9.846
    6    H    ARG   2           HN       ARG   2  11.545   2.132   8.736
    7    HA   ARG   2           HA       ARG   2  11.182   2.910   6.045
    8    HB2  ARG   2           HB2      ARG   2  13.619   1.885   7.515
    9    HB3  ARG   2           HB1      ARG   2  13.661   2.527   5.873
   10    HG2  ARG   2           HG2      ARG   2  12.593   4.050   8.266
   11    HG3  ARG   2           HG1      ARG   2  14.223   4.238   7.620
   12    HD2  ARG   2           HD2      ARG   2  13.258   4.869   5.423
   13    HD3  ARG   2           HD1      ARG   2  11.643   4.736   6.109
   14    HE   ARG   2           HE       ARG   2  13.623   6.823   6.713
   15   HH11  ARG   2          HH11      ARG   2  10.521   5.366   7.236
   16   HH12  ARG   2          HH12      ARG   2   9.843   6.765   7.998
   17   HH21  ARG   2          HH21      ARG   2  12.733   8.657   7.704
   18   HH22  ARG   2          HH22      ARG   2  11.094   8.627   8.263
   19    H    ILE   3           HN       ILE   3  11.951  -0.196   7.547
   20    HA   ILE   3           HA       ILE   3  12.452  -1.612   5.133
   21    HB   ILE   3           HB       ILE   3  11.447  -2.718   7.765
   22   HG12  ILE   3          HG12      ILE   3  13.457  -1.307   8.073
   23   HG13  ILE   3          HG11      ILE   3  13.838  -3.013   8.309
   24   HG21  ILE   3          HG21      ILE   3  11.329  -4.361   6.007
   25   HG22  ILE   3          HG22      ILE   3  12.771  -4.719   6.956
   26   HG23  ILE   3          HG23      ILE   3  12.919  -3.905   5.399
   27   HD11  ILE   3          HD11      ILE   3  15.420  -2.838   6.721
   28   HD12  ILE   3          HD12      ILE   3  14.946  -1.173   6.389
   29   HD13  ILE   3          HD13      ILE   3  14.153  -2.500   5.542
   30    H    ASP   4           HN       ASP   4   9.553  -0.681   6.819
   31    HA   ASP   4           HA       ASP   4   7.763  -2.576   5.727
   32    HB2  ASP   4           HB2      ASP   4   7.278  -1.038   7.650
   33    HB3  ASP   4           HB1      ASP   4   7.132   0.282   6.490
   34    H    DBU   5           HN       DHB   5   8.884   0.586   4.569
   35    HB   DBU   5           HB       DHB   5   7.470   2.048   1.172
   36    HG1  DBU   5           HG1      DHB   5   7.402   3.151   3.843
   37    HG2  DBU   5           HG2      DHB   5   6.224   3.461   2.569
   38    HG3  DBU   5           HG3      DHB   5   5.978   2.122   3.691
   39    H    CYS   6           HN       CYS   6  10.665   0.427   2.372
   40    HA   CYS   6           HA       CYS   6  10.764  -0.792  -0.210
   41    HB2  CYS   6           HB2      CYS   6  12.595   0.606   0.747
   42    HB3  CYS   6           HB1      CYS   6  12.919  -0.675   1.913
   43    HA   PRO   7           HA       PRO   7  10.028  -4.964   1.060
   44    HB2  PRO   7           HB2      PRO   7  10.937  -6.221  -1.195
   45    HB3  PRO   7           HB1      PRO   7   9.382  -5.372  -1.110
   46    HG2  PRO   7           HG2      PRO   7  11.964  -4.481  -2.280
   47    HG3  PRO   7           HG1      PRO   7  10.310  -4.211  -2.852
   48    HD2  PRO   7           HD2      PRO   7  11.777  -2.307  -1.513
   49    HD3  PRO   7           HD1      PRO   7  10.000  -2.367  -1.501
   50    H    ALA   8           HN       ALA   8  12.196  -4.070   2.394
   51    HA   ALA   8           HA       ALA   8  14.294  -4.589   3.215
   52    HB1  ALA   8           HB1      ALA   8  13.438  -6.439   4.271
   53    HB2  ALA   8           HB2      ALA   8  14.557  -7.247   3.173
   54    HB3  ALA   8           HB3      ALA   8  12.842  -7.152   2.773
   55    H    GLY   9           HN       GLY   9  14.269  -3.892   0.445
   56    HA2  GLY   9           HA2      GLY   9  16.187  -5.733  -0.805
   57    HA3  GLY   9           HA1      GLY   9  15.354  -4.402  -1.603
   58    H    GLY  10           HN       GLY  10  16.515  -3.491   1.429
   59    HA2  GLY  10           HA2      GLY  10  18.372  -2.307   2.146
   60    HA3  GLY  10           HA1      GLY  10  19.214  -2.829   0.690
   61    H    GLY  11           HN       GLY  11  19.129  -1.559  -1.180
   62    HA2  GLY  11           HA2      GLY  11  19.303   1.091  -1.173
   63    HA3  GLY  11           HA1      GLY  11  18.475   0.278  -2.502
   64    H    DBB  12           HN       DBB  12  16.131  -0.333  -1.958
   65    HA   DBB  12           HA       DBB  12  14.691   1.160  -0.036
   66    HB2  DBB  12           HB2      DBB  12  13.928  -0.416  -2.478
   67    HG1  DBB  12           HG1      DBB  12  11.521   0.082  -1.683
   68    HG2  DBB  12           HG2      DBB  12  12.358   1.325  -2.617
   69    HG3  DBB  12           HG3      DBB  12  12.231   1.476  -0.866
   70    H    DAL  13           HN       DAL  13  16.073   2.032  -3.024
   71    HA   DAL  13           HA       DAL  13  16.204   4.222  -3.865
   72    HB1  DAL  13           HB2      DAL  13  14.776   5.927  -3.064
   73    HB2  DAL  13           HB3      DAL  13  13.628   4.756  -2.428
   74    H    GLU  14           HN       GLU  14  15.573   2.518  -5.685
   75    HA   GLU  14           HA       GLU  14  13.557   3.743  -7.286
   76    HB2  GLU  14           HB2      GLU  14  15.136   1.187  -7.622
   77    HB3  GLU  14           HB1      GLU  14  14.024   1.818  -8.838
   78    HG2  GLU  14           HG2      GLU  14  15.305   3.893  -8.985
   79    HG3  GLU  14           HG1      GLU  14  16.384   3.346  -7.703
   80    H    GLN  15           HN       GLN  15  13.590   1.091  -5.054
   81    HA   GLN  15           HA       GLN  15  11.174  -0.141  -6.015
   82    HB2  GLN  15           HB2      GLN  15  13.222  -0.740  -4.118
   83    HB3  GLN  15           HB1      GLN  15  11.659  -0.842  -3.304
   84    HG2  GLN  15           HG2      GLN  15  12.301  -2.179  -5.948
   85    HG3  GLN  15           HG1      GLN  15  12.349  -2.993  -4.385
   86   HE21  GLN  15          HE21      GLN  15  10.397  -2.780  -6.991
   87   HE22  GLN  15          HE22      GLN  15   8.876  -2.888  -6.247
   88    H    DBB  16           HN       DBB  16  11.798   2.661  -4.222
   89    HA   DBB  16           HA       DBB  16   8.973   2.762  -3.389
   90    HB2  DBB  16           HB2      DBB  16   9.134   5.131  -3.475
   91    HG1  DBB  16           HG1      DBB  16  10.638   3.723  -5.670
   92    HG2  DBB  16           HG2      DBB  16  10.361   5.463  -5.735
   93    HG3  DBB  16           HG3      DBB  16   8.991   4.354  -5.685
   94    H    GLY  17           HN       GLY  17   8.423   2.675  -1.314
   95    HA2  GLY  17           HA2      GLY  17   8.674   3.393   0.972
   96    HA3  GLY  17           HA1      GLY  17   9.496   1.842   0.850
   97    H    DBU  18           HN       DHB  18  11.325   1.924   2.008
   98    HB   DBU  18           HB       DHB  18  14.777   3.113   3.072
   99    HG1  DBU  18           HG1      DHB  18  14.451   0.910   3.993
  100    HG2  DBU  18           HG2      DHB  18  12.909   0.717   3.159
  101    HG3  DBU  18           HG3      DHB  18  14.422   0.570   2.263
  102    H    CYS  19           HN       CYS  19  14.177   4.354   0.413
  103    HA   CYS  19           HA       CYS  19  14.479   6.971   1.478
  104    HB2  CYS  19           HB2      CYS  19  14.728   7.099  -1.351
  105    HB3  CYS  19           HB1      CYS  19  16.019   7.045  -0.161
  106    H    CYS  20           HN       CYS  20  12.249   5.578  -0.906
  107    HA   CYS  20           HA       CYS  20  10.740   8.120  -0.872
  108    HB2  CYS  20           HB2      CYS  20   9.662   6.950  -2.977
  109    HB3  CYS  20           HB1      CYS  20  11.206   7.792  -3.112
  Start of MODEL    4
    1    H1   GLY   1           HT1      GLY   1   8.773   4.658   8.746
    2    H2   GLY   1           HT2      GLY   1   7.434   3.804   9.349
    3    H3   GLY   1           HT3      GLY   1   7.529   4.180   7.696
    4    HA2  GLY   1           HA2      GLY   1   9.610   2.529   8.974
    5    HA3  GLY   1           HA1      GLY   1   8.095   1.805   8.430
    6    H    ARG   2           HN       ARG   2  11.139   3.098   7.480
    7    HA   ARG   2           HA       ARG   2  10.657   3.572   4.733
    8    HB2  ARG   2           HB2      ARG   2  13.157   2.829   6.259
    9    HB3  ARG   2           HB1      ARG   2  13.158   3.191   4.532
   10    HG2  ARG   2           HG2      ARG   2  12.205   5.410   4.976
   11    HG3  ARG   2           HG1      ARG   2  12.150   5.054   6.704
   12    HD2  ARG   2           HD2      ARG   2  14.603   4.787   6.727
   13    HD3  ARG   2           HD1      ARG   2  14.659   5.148   5.004
   14    HE   ARG   2           HE       ARG   2  14.145   7.053   7.168
   15   HH11  ARG   2          HH11      ARG   2  14.252   6.318   3.788
   16   HH12  ARG   2          HH12      ARG   2  14.335   7.976   3.290
   17   HH21  ARG   2          HH21      ARG   2  14.253   9.228   6.522
   18   HH22  ARG   2          HH22      ARG   2  14.336   9.623   4.838
   19    H    ILE   3           HN       ILE   3  11.574   0.680   6.541
   20    HA   ILE   3           HA       ILE   3  12.039  -0.996   4.289
   21    HB   ILE   3           HB       ILE   3  11.264  -1.646   7.143
   22   HG12  ILE   3          HG12      ILE   3  13.950  -1.875   5.764
   23   HG13  ILE   3          HG11      ILE   3  13.457  -0.427   6.642
   24   HG21  ILE   3          HG21      ILE   3  10.689  -3.540   5.771
   25   HG22  ILE   3          HG22      ILE   3  12.238  -3.906   6.531
   26   HG23  ILE   3          HG23      ILE   3  12.182  -3.393   4.845
   27   HD11  ILE   3          HD11      ILE   3  14.787  -2.019   8.044
   28   HD12  ILE   3          HD12      ILE   3  13.504  -3.211   7.837
   29   HD13  ILE   3          HD13      ILE   3  13.177  -1.703   8.690
   30    H    ASP   4           HN       ASP   4   9.178   0.091   5.928
   31    HA   ASP   4           HA       ASP   4   7.383  -1.951   5.158
   32    HB2  ASP   4           HB2      ASP   4   6.837  -0.267   6.864
   33    HB3  ASP   4           HB1      ASP   4   6.842   0.991   5.627
   34    H    DBU   5           HN       DHB   5   8.377   1.070   3.558
   35    HB   DBU   5           HB       DHB   5   6.954   2.045   0.016
   36    HG1  DBU   5           HG1      DHB   5   7.146   3.760   2.204
   37    HG2  DBU   5           HG2      DHB   5   5.662   3.585   1.267
   38    HG3  DBU   5           HG3      DHB   5   5.883   2.659   2.751
   39    H    CYS   6           HN       CYS   6   9.979  -0.107   1.735
   40    HA   CYS   6           HA       CYS   6   9.481  -2.112  -0.373
   41    HB2  CYS   6           HB2      CYS   6  11.601  -1.657  -1.401
   42    HB3  CYS   6           HB1      CYS   6  10.766  -0.116  -1.234
   43    HA   PRO   7           HA       PRO   7  11.067  -4.072   3.507
   44    HB2  PRO   7           HB2      PRO   7   9.503  -6.329   2.399
   45    HB3  PRO   7           HB1      PRO   7   9.454  -5.612   4.019
   46    HG2  PRO   7           HG2      PRO   7   7.483  -5.259   2.236
   47    HG3  PRO   7           HG1      PRO   7   7.935  -4.016   3.415
   48    HD2  PRO   7           HD2      PRO   7   8.533  -4.139   0.485
   49    HD3  PRO   7           HD1      PRO   7   8.208  -2.726   1.515
   50    H    ALA   8           HN       ALA   8  12.793  -5.452   3.682
   51    HA   ALA   8           HA       ALA   8  14.684  -6.559   2.971
   52    HB1  ALA   8           HB1      ALA   8  13.270  -8.110   0.912
   53    HB2  ALA   8           HB2      ALA   8  12.500  -8.146   2.498
   54    HB3  ALA   8           HB3      ALA   8  14.177  -8.664   2.321
   55    H    GLY   9           HN       GLY   9  13.508  -4.203   1.292
   56    HA2  GLY   9           HA2      GLY   9  14.488  -4.698  -1.372
   57    HA3  GLY   9           HA1      GLY   9  13.946  -3.150  -0.729
   58    H    GLY  10           HN       GLY  10  15.929  -3.877   1.598
   59    HA2  GLY  10           HA2      GLY  10  18.084  -3.317   2.181
   60    HA3  GLY  10           HA1      GLY  10  18.547  -3.792   0.553
   61    H    GLY  11           HN       GLY  11  18.369  -2.213  -1.162
   62    HA2  GLY  11           HA2      GLY  11  19.411   0.313  -0.489
   63    HA3  GLY  11           HA1      GLY  11  18.730  -0.124  -2.058
   64    H    DBB  12           HN       DBB  12  16.143  -0.783  -1.200
   65    HA   DBB  12           HA       DBB  12  14.803   1.053   0.379
   66    HB2  DBB  12           HB2      DBB  12  14.118  -1.014  -1.440
   67    HG1  DBB  12           HG1      DBB  12  12.555   1.518  -1.994
   68    HG2  DBB  12           HG2      DBB  12  12.254  -0.078  -2.678
   69    HG3  DBB  12           HG3      DBB  12  13.724   0.802  -3.101
   70    H    DAL  13           HN       DAL  13  16.076   1.296  -2.845
   71    HA   DAL  13           HA       DAL  13  16.489   3.100  -4.180
   72    HB1  DAL  13           HB2      DAL  13  16.059   4.282  -1.522
   73    HB2  DAL  13           HB3      DAL  13  17.333   4.574  -2.700
   74    H    GLU  14           HN       GLU  14  15.259   4.883  -5.404
   75    HA   GLU  14           HA       GLU  14  12.626   5.548  -5.137
   76    HB2  GLU  14           HB2      GLU  14  12.541   5.839  -7.542
   77    HB3  GLU  14           HB1      GLU  14  14.151   6.298  -6.985
   78    HG2  GLU  14           HG2      GLU  14  14.981   4.034  -7.578
   79    HG3  GLU  14           HG1      GLU  14  13.379   3.624  -8.192
   80    H    GLN  15           HN       GLN  15  13.948   2.437  -5.670
   81    HA   GLN  15           HA       GLN  15  11.908   1.072  -6.992
   82    HB2  GLN  15           HB2      GLN  15  13.850   0.181  -4.846
   83    HB3  GLN  15           HB1      GLN  15  12.763  -0.932  -5.684
   84    HG2  GLN  15           HG2      GLN  15  13.729  -0.289  -7.842
   85    HG3  GLN  15           HG1      GLN  15  14.772   0.886  -7.044
   86   HE21  GLN  15          HE21      GLN  15  14.782  -2.228  -8.272
   87   HE22  GLN  15          HE22      GLN  15  16.054  -2.872  -7.350
   88    H    DBB  16           HN       DBB  16  11.754   2.690  -4.048
   89    HA   DBB  16           HA       DBB  16   9.660   0.958  -2.938
   90    HB2  DBB  16           HB2      DBB  16   8.251   3.132  -2.662
   91    HG1  DBB  16           HG1      DBB  16   7.105   2.637  -4.712
   92    HG2  DBB  16           HG2      DBB  16   7.777   1.117  -4.119
   93    HG3  DBB  16           HG3      DBB  16   8.570   1.976  -5.440
   94    H    GLY  17           HN       GLY  17   9.205   1.354  -0.735
   95    HA2  GLY  17           HA2      GLY  17   9.803   3.261   1.008
   96    HA3  GLY  17           HA1      GLY  17  10.170   1.583   1.396
   97    H    DBU  18           HN       DHB  18  11.613   3.961   2.290
   98    HB   DBU  18           HB       DHB  18  15.695   3.532   2.109
   99    HG1  DBU  18           HG1      DHB  18  14.875   1.736   3.777
  100    HG2  DBU  18           HG2      DHB  18  13.607   1.347   2.617
  101    HG3  DBU  18           HG3      DHB  18  15.298   1.063   2.203
  102    H    CYS  19           HN       CYS  19  13.601   4.611  -0.719
  103    HA   CYS  19           HA       CYS  19  13.932   7.468  -0.084
  104    HB2  CYS  19           HB2      CYS  19  15.776   7.749  -1.462
  105    HB3  CYS  19           HB1      CYS  19  16.108   6.167  -0.769
  106    H    CYS  20           HN       CYS  20  11.785   5.520  -1.188
  107    HA   CYS  20           HA       CYS  20  11.313   6.193  -3.893
  108    HB2  CYS  20           HB2      CYS  20  10.031   4.636  -1.919
  109    HB3  CYS  20           HB1      CYS  20   8.840   5.809  -2.475
  Start of MODEL    5
    1    H1   GLY   1           HT1      GLY   1   6.093   4.466   7.612
    2    H2   GLY   1           HT2      GLY   1   7.528   5.279   7.200
    3    H3   GLY   1           HT3      GLY   1   7.120   5.044   8.833
    4    HA2  GLY   1           HA2      GLY   1   8.436   3.265   8.761
    5    HA3  GLY   1           HA1      GLY   1   7.113   2.516   7.866
    6    H    ARG   2           HN       ARG   2  10.353   3.439   7.749
    7    HA   ARG   2           HA       ARG   2  10.730   4.067   5.029
    8    HB2  ARG   2           HB2      ARG   2  12.450   4.376   6.794
    9    HB3  ARG   2           HB1      ARG   2  12.634   2.625   6.889
   10    HG2  ARG   2           HG2      ARG   2  13.267   2.563   4.502
   11    HG3  ARG   2           HG1      ARG   2  13.113   4.318   4.422
   12    HD2  ARG   2           HD2      ARG   2  14.980   2.868   6.315
   13    HD3  ARG   2           HD1      ARG   2  15.475   3.529   4.759
   14    HE   ARG   2           HE       ARG   2  14.205   5.574   6.217
   15   HH11  ARG   2          HH11      ARG   2  17.028   3.573   6.293
   16   HH12  ARG   2          HH12      ARG   2  18.002   4.741   7.121
   17   HH21  ARG   2          HH21      ARG   2  15.474   7.107   7.313
   18   HH22  ARG   2          HH22      ARG   2  17.122   6.742   7.699
   19    H    ILE   3           HN       ILE   3  10.783   0.964   6.746
   20    HA   ILE   3           HA       ILE   3  11.326  -0.568   4.365
   21    HB   ILE   3           HB       ILE   3  10.433  -1.385   7.137
   22   HG12  ILE   3          HG12      ILE   3  13.127  -1.762   5.823
   23   HG13  ILE   3          HG11      ILE   3  12.738  -0.290   6.711
   24   HG21  ILE   3          HG21      ILE   3  11.286  -3.650   6.334
   25   HG22  ILE   3          HG22      ILE   3  11.250  -2.987   4.700
   26   HG23  ILE   3          HG23      ILE   3   9.757  -3.125   5.630
   27   HD11  ILE   3          HD11      ILE   3  12.364  -3.034   7.919
   28   HD12  ILE   3          HD12      ILE   3  12.418  -1.475   8.745
   29   HD13  ILE   3          HD13      ILE   3  13.887  -2.154   8.044
   30    H    ASP   4           HN       ASP   4   8.655   1.074   5.338
   31    HA   ASP   4           HA       ASP   4   6.530  -0.738   4.995
   32    HB2  ASP   4           HB2      ASP   4   6.251   1.514   5.953
   33    HB3  ASP   4           HB1      ASP   4   6.610   2.226   4.380
   34    H    DBU   5           HN       DHB   5   8.313   1.265   2.657
   35    HB   DBU   5           HB       DHB   5   7.081   1.012  -1.161
   36    HG1  DBU   5           HG1      DHB   5   6.531   3.155   0.714
   37    HG2  DBU   5           HG2      DHB   5   5.539   2.724  -0.679
   38    HG3  DBU   5           HG3      DHB   5   5.233   1.974   0.888
   39    H    CYS   6           HN       CYS   6  10.205   0.522   0.953
   40    HA   CYS   6           HA       CYS   6  10.789  -1.617  -0.823
   41    HB2  CYS   6           HB2      CYS   6  12.301   0.346   0.078
   42    HB3  CYS   6           HB1      CYS   6  12.687  -0.811   1.350
   43    HA   PRO   7           HA       PRO   7   9.738  -4.737   2.254
   44    HB2  PRO   7           HB2      PRO   7   9.798  -6.843   0.510
   45    HB3  PRO   7           HB1      PRO   7   8.413  -5.744   0.660
   46    HG2  PRO   7           HG2      PRO   7  10.558  -5.816  -1.396
   47    HG3  PRO   7           HG1      PRO   7   8.832  -5.459  -1.572
   48    HD2  PRO   7           HD2      PRO   7  10.789  -3.519  -1.508
   49    HD3  PRO   7           HD1      PRO   7   9.102  -3.237  -1.025
   50    H    ALA   8           HN       ALA   8  11.461  -5.052   3.581
   51    HA   ALA   8           HA       ALA   8  13.619  -5.578   4.256
   52    HB1  ALA   8           HB1      ALA   8  13.832  -7.853   4.350
   53    HB2  ALA   8           HB2      ALA   8  13.452  -8.069   2.641
   54    HB3  ALA   8           HB3      ALA   8  12.157  -7.778   3.804
   55    H    GLY   9           HN       GLY   9  13.329  -4.228   1.552
   56    HA2  GLY   9           HA2      GLY   9  15.674  -5.258   0.123
   57    HA3  GLY   9           HA1      GLY   9  14.560  -4.024  -0.461
   58    H    GLY  10           HN       GLY  10  17.613  -4.537   0.689
   59    HA2  GLY  10           HA2      GLY  10  18.095  -2.331   2.382
   60    HA3  GLY  10           HA1      GLY  10  19.310  -3.156   1.406
   61    H    GLY  11           HN       GLY  11  17.962  -2.678  -1.109
   62    HA2  GLY  11           HA2      GLY  11  18.799   0.105  -1.509
   63    HA3  GLY  11           HA1      GLY  11  18.565  -1.101  -2.771
   64    H    DBB  12           HN       DBB  12  16.543   0.265  -0.161
   65    HA   DBB  12           HA       DBB  12  14.358   0.983  -0.151
   66    HB2  DBB  12           HB2      DBB  12  14.345  -0.534  -2.764
   67    HG1  DBB  12           HG1      DBB  12  12.776   1.147  -3.200
   68    HG2  DBB  12           HG2      DBB  12  12.245   1.227  -1.526
   69    HG3  DBB  12           HG3      DBB  12  11.795  -0.154  -2.525
   70    H    DAL  13           HN       DAL  13  16.171   1.510  -3.146
   71    HA   DAL  13           HA       DAL  13  16.468   3.362  -4.436
   72    HB1  DAL  13           HB2      DAL  13  16.161   4.306  -1.763
   73    HB2  DAL  13           HB3      DAL  13  17.069   5.023  -3.085
   74    H    GLU  14           HN       GLU  14  15.129   3.672  -6.234
   75    HA   GLU  14           HA       GLU  14  12.624   4.995  -5.981
   76    HB2  GLU  14           HB2      GLU  14  13.934   3.568  -8.302
   77    HB3  GLU  14           HB1      GLU  14  12.421   4.468  -8.425
   78    HG2  GLU  14           HG2      GLU  14  13.527   6.507  -7.671
   79    HG3  GLU  14           HG1      GLU  14  15.037   5.630  -7.433
   80    H    GLN  15           HN       GLN  15  13.543   1.795  -5.490
   81    HA   GLN  15           HA       GLN  15  11.329   0.371  -6.510
   82    HB2  GLN  15           HB2      GLN  15  13.351  -0.157  -4.358
   83    HB3  GLN  15           HB1      GLN  15  11.977  -1.243  -4.548
   84    HG2  GLN  15           HG2      GLN  15  12.578  -1.607  -6.902
   85    HG3  GLN  15           HG1      GLN  15  13.920  -0.475  -6.745
   86   HE21  GLN  15          HE21      GLN  15  14.854  -2.843  -7.518
   87   HE22  GLN  15          HE22      GLN  15  15.477  -3.763  -6.236
   88    H    DBB  16           HN       DBB  16  11.677   2.421  -3.737
   89    HA   DBB  16           HA       DBB  16   9.212   1.432  -2.507
   90    HB2  DBB  16           HB2      DBB  16   8.254   3.773  -2.530
   91    HG1  DBB  16           HG1      DBB  16   7.124   3.331  -4.489
   92    HG2  DBB  16           HG2      DBB  16   7.876   1.757  -4.225
   93    HG3  DBB  16           HG3      DBB  16   8.592   2.896  -5.367
   94    H    GLY  17           HN       GLY  17   9.121   1.801  -0.342
   95    HA2  GLY  17           HA2      GLY  17   9.992   3.743   1.269
   96    HA3  GLY  17           HA1      GLY  17  10.173   2.055   1.732
   97    H    DBU  18           HN       DHB  18  11.923   4.129   2.570
   98    HB   DBU  18           HB       DHB  18  15.915   3.328   2.312
   99    HG1  DBU  18           HG1      DHB  18  15.213   1.429   3.741
  100    HG2  DBU  18           HG2      DHB  18  13.596   1.457   3.039
  101    HG3  DBU  18           HG3      DHB  18  14.965   0.896   2.079
  102    H    CYS  19           HN       CYS  19  13.446   4.871  -0.332
  103    HA   CYS  19           HA       CYS  19  14.398   7.562   0.404
  104    HB2  CYS  19           HB2      CYS  19  15.766   7.743  -1.512
  105    HB3  CYS  19           HB1      CYS  19  16.138   6.159  -0.846
  106    H    CYS  20           HN       CYS  20  12.423   5.511  -1.651
  107    HA   CYS  20           HA       CYS  20  11.274   6.959  -3.537
  108    HB2  CYS  20           HB2      CYS  20  10.156   5.106  -1.547
  109    HB3  CYS  20           HB1      CYS  20   8.967   6.191  -2.267
  Start of MODEL    6
    1    H1   GLY   1           HT1      GLY   1   9.283   5.116   7.029
    2    H2   GLY   1           HT2      GLY   1  10.476   4.036   7.575
    3    H3   GLY   1           HT3      GLY   1   8.832   3.680   7.812
    4    HA2  GLY   1           HA2      GLY   1   8.524   2.934   5.727
    5    HA3  GLY   1           HA1      GLY   1   9.647   4.119   5.058
    6    H    ARG   2           HN       ARG   2  11.998   3.761   5.949
    7    HA   ARG   2           HA       ARG   2  13.768   2.333   5.275
    8    HB2  ARG   2           HB2      ARG   2  12.645   1.285   7.881
    9    HB3  ARG   2           HB1      ARG   2  14.234   0.857   7.247
   10    HG2  ARG   2           HG2      ARG   2  13.334   3.710   7.738
   11    HG3  ARG   2           HG1      ARG   2  14.268   2.764   8.898
   12    HD2  ARG   2           HD2      ARG   2  16.032   2.441   7.180
   13    HD3  ARG   2           HD1      ARG   2  15.112   3.448   6.070
   14    HE   ARG   2           HE       ARG   2  15.842   4.628   8.651
   15   HH11  ARG   2          HH11      ARG   2  16.389   4.273   5.251
   16   HH12  ARG   2          HH12      ARG   2  17.317   5.727   5.108
   17   HH21  ARG   2          HH21      ARG   2  17.060   6.538   8.469
   18   HH22  ARG   2          HH22      ARG   2  17.698   7.009   6.928
   19    H    ILE   3           HN       ILE   3  13.053  -0.463   6.840
   20    HA   ILE   3           HA       ILE   3  12.908  -1.998   4.455
   21    HB   ILE   3           HB       ILE   3  12.249  -2.872   7.276
   22   HG12  ILE   3          HG12      ILE   3  14.460  -1.772   7.146
   23   HG13  ILE   3          HG11      ILE   3  14.635  -3.509   7.396
   24   HG21  ILE   3          HG21      ILE   3  13.086  -5.072   6.366
   25   HG22  ILE   3          HG22      ILE   3  13.096  -4.336   4.762
   26   HG23  ILE   3          HG23      ILE   3  11.577  -4.518   5.639
   27   HD11  ILE   3          HD11      ILE   3  15.366  -1.859   5.051
   28   HD12  ILE   3          HD12      ILE   3  14.586  -3.394   4.673
   29   HD13  ILE   3          HD13      ILE   3  16.069  -3.372   5.628
   30    H    ASP   4           HN       ASP   4  10.510  -0.589   6.535
   31    HA   ASP   4           HA       ASP   4   8.303  -2.230   5.927
   32    HB2  ASP   4           HB2      ASP   4   8.511   0.677   6.717
   33    HB3  ASP   4           HB1      ASP   4   6.966  -0.145   6.503
   34    H    DBU   5           HN       DHB   5   9.587   0.671   4.314
   35    HB   DBU   5           HB       DHB   5   7.911   2.126   1.072
   36    HG1  DBU   5           HG1      DHB   5   8.569   3.271   3.700
   37    HG2  DBU   5           HG2      DHB   5   7.455   3.929   2.502
   38    HG3  DBU   5           HG3      DHB   5   6.885   2.750   3.682
   39    H    CYS   6           HN       CYS   6  10.871  -0.006   1.721
   40    HA   CYS   6           HA       CYS   6   9.818  -1.938  -0.254
   41    HB2  CYS   6           HB2      CYS   6  12.169  -1.639  -1.264
   42    HB3  CYS   6           HB1      CYS   6  11.034  -0.303  -1.445
   43    HA   PRO   7           HA       PRO   7  11.923  -4.388   3.084
   44    HB2  PRO   7           HB2      PRO   7  10.113  -6.458   2.959
   45    HB3  PRO   7           HB1      PRO   7   9.929  -5.043   4.013
   46    HG2  PRO   7           HG2      PRO   7   8.666  -5.617   1.379
   47    HG3  PRO   7           HG1      PRO   7   7.971  -4.866   2.827
   48    HD2  PRO   7           HD2      PRO   7   8.768  -3.401   0.676
   49    HD3  PRO   7           HD1      PRO   7   8.860  -2.777   2.338
   50    H    ALA   8           HN       ALA   8  13.270  -6.171   2.809
   51    HA   ALA   8           HA       ALA   8  14.343  -7.917   1.734
   52    HB1  ALA   8           HB1      ALA   8  12.326  -7.633  -0.498
   53    HB2  ALA   8           HB2      ALA   8  12.012  -8.563   0.967
   54    HB3  ALA   8           HB3      ALA   8  13.324  -9.036  -0.113
   55    H    GLY   9           HN       GLY   9  13.484  -4.956   0.153
   56    HA2  GLY   9           HA2      GLY   9  15.534  -5.180  -1.900
   57    HA3  GLY   9           HA1      GLY   9  14.463  -3.811  -1.633
   58    H    GLY  10           HN       GLY  10  15.476  -4.376   1.357
   59    HA2  GLY  10           HA2      GLY  10  16.947  -3.291   2.762
   60    HA3  GLY  10           HA1      GLY  10  18.161  -3.674   1.546
   61    H    GLY  11           HN       GLY  11  18.665  -2.144  -0.066
   62    HA2  GLY  11           HA2      GLY  11  19.121   0.408   0.472
   63    HA3  GLY  11           HA1      GLY  11  18.558  -0.051  -1.138
   64    H    DBB  12           HN       DBB  12  16.461   0.325  -1.741
   65    HA   DBB  12           HA       DBB  12  14.766   1.793   0.179
   66    HB2  DBB  12           HB2      DBB  12  14.233  -0.369  -1.659
   67    HG1  DBB  12           HG1      DBB  12  13.678   1.443  -3.244
   68    HG2  DBB  12           HG2      DBB  12  12.584   2.136  -2.061
   69    HG3  DBB  12           HG3      DBB  12  12.238   0.553  -2.746
   70    H    DAL  13           HN       DAL  13  16.035   1.716  -3.105
   71    HA   DAL  13           HA       DAL  13  16.688   3.544  -4.386
   72    HB1  DAL  13           HB2      DAL  13  16.267   4.825  -2.063
   73    HB2  DAL  13           HB3      DAL  13  16.583   5.658  -3.577
   74    H    GLU  14           HN       GLU  14  15.694   3.555  -6.429
   75    HA   GLU  14           HA       GLU  14  13.189   4.640  -6.961
   76    HB2  GLU  14           HB2      GLU  14  14.770   2.555  -8.486
   77    HB3  GLU  14           HB1      GLU  14  13.346   3.381  -9.121
   78    HG2  GLU  14           HG2      GLU  14  15.857   4.773  -8.146
   79    HG3  GLU  14           HG1      GLU  14  15.471   4.468  -9.838
   80    H    GLN  15           HN       GLN  15  14.003   1.628  -5.548
   81    HA   GLN  15           HA       GLN  15  11.796   0.062  -6.362
   82    HB2  GLN  15           HB2      GLN  15  13.832  -0.076  -4.212
   83    HB3  GLN  15           HB1      GLN  15  12.321  -0.928  -3.894
   84    HG2  GLN  15           HG2      GLN  15  12.541  -2.127  -6.031
   85    HG3  GLN  15           HG1      GLN  15  14.036  -1.257  -6.374
   86   HE21  GLN  15          HE21      GLN  15  13.382  -4.248  -5.726
   87   HE22  GLN  15          HE22      GLN  15  14.523  -4.636  -4.531
   88    H    DBB  16           HN       DBB  16  12.086   2.677  -4.095
   89    HA   DBB  16           HA       DBB  16   9.324   2.162  -3.156
   90    HB2  DBB  16           HB2      DBB  16   8.842   4.535  -3.329
   91    HG1  DBB  16           HG1      DBB  16   9.320   2.807  -5.483
   92    HG2  DBB  16           HG2      DBB  16  10.042   4.344  -5.963
   93    HG3  DBB  16           HG3      DBB  16   8.340   4.274  -5.501
   94    H    GLY  17           HN       GLY  17   9.453   1.707  -1.046
   95    HA2  GLY  17           HA2      GLY  17   9.863   3.304   1.032
   96    HA3  GLY  17           HA1      GLY  17  10.406   1.631   1.100
   97    H    DBU  18           HN       DHB  18  11.571   3.985   2.419
   98    HB   DBU  18           HB       DHB  18  15.622   4.129   2.546
   99    HG1  DBU  18           HG1      DHB  18  15.050   1.511   2.346
  100    HG2  DBU  18           HG2      DHB  18  15.308   2.182   3.957
  101    HG3  DBU  18           HG3      DHB  18  13.667   1.935   3.356
  102    H    CYS  19           HN       CYS  19  13.408   4.958  -0.480
  103    HA   CYS  19           HA       CYS  19  13.946   7.801   0.132
  104    HB2  CYS  19           HB2      CYS  19  14.833   7.983  -2.145
  105    HB3  CYS  19           HB1      CYS  19  15.684   6.729  -1.254
  106    H    CYS  20           HN       CYS  20  11.539   5.683  -0.677
  107    HA   CYS  20           HA       CYS  20   9.701   7.774  -1.341
  108    HB2  CYS  20           HB2      CYS  20   9.046   6.643  -3.559
  109    HB3  CYS  20           HB1      CYS  20  10.478   7.671  -3.563
  Start of MODEL    7
    1    H1   GLY   1           HT1      GLY   1   5.919   6.902   4.074
    2    H2   GLY   1           HT2      GLY   1   6.946   5.859   3.211
    3    H3   GLY   1           HT3      GLY   1   7.556   7.301   3.874
    4    HA2  GLY   1           HA2      GLY   1   7.464   6.515   6.044
    5    HA3  GLY   1           HA1      GLY   1   6.362   5.215   5.590
    6    H    ARG   2           HN       ARG   2   8.992   5.083   6.937
    7    HA   ARG   2           HA       ARG   2  10.954   4.102   5.129
    8    HB2  ARG   2           HB2      ARG   2  10.570   3.711   8.102
    9    HB3  ARG   2           HB1      ARG   2  11.963   3.095   7.210
   10    HG2  ARG   2           HG2      ARG   2  12.519   5.375   6.473
   11    HG3  ARG   2           HG1      ARG   2  11.109   6.004   7.325
   12    HD2  ARG   2           HD2      ARG   2  12.035   5.183   9.461
   13    HD3  ARG   2           HD1      ARG   2  13.446   4.560   8.610
   14    HE   ARG   2           HE       ARG   2  12.840   7.373   9.152
   15   HH11  ARG   2          HH11      ARG   2  14.768   4.980   7.563
   16   HH12  ARG   2          HH12      ARG   2  16.101   6.046   7.275
   17   HH21  ARG   2          HH21      ARG   2  14.586   8.777   8.779
   18   HH22  ARG   2          HH22      ARG   2  15.999   8.197   7.963
   19    H    ILE   3           HN       ILE   3  11.642   1.935   4.811
   20    HA   ILE   3           HA       ILE   3  11.235  -0.235   4.173
   21    HB   ILE   3           HB       ILE   3   9.834  -0.131   6.850
   22   HG12  ILE   3          HG12      ILE   3  12.201  -1.758   6.699
   23   HG13  ILE   3          HG11      ILE   3  12.560  -0.163   6.036
   24   HG21  ILE   3          HG21      ILE   3  10.476  -2.748   6.467
   25   HG22  ILE   3          HG22      ILE   3  10.050  -2.279   4.820
   26   HG23  ILE   3          HG23      ILE   3   8.882  -2.077   6.127
   27   HD11  ILE   3          HD11      ILE   3  11.344   0.760   8.126
   28   HD12  ILE   3          HD12      ILE   3  12.960   0.089   8.350
   29   HD13  ILE   3          HD13      ILE   3  11.541  -0.864   8.787
   30    H    ASP   4           HN       ASP   4   9.038   2.034   3.852
   31    HA   ASP   4           HA       ASP   4   6.727   0.300   3.322
   32    HB2  ASP   4           HB2      ASP   4   6.499   2.513   4.543
   33    HB3  ASP   4           HB1      ASP   4   6.886   3.300   3.015
   34    H    DBU   5           HN       DHB   5   6.799  -0.693   1.389
   35    HB   DBU   5           HB       DHB   5   6.871   0.537  -2.542
   36    HG1  DBU   5           HG1      DHB   5   4.695   1.587  -1.564
   37    HG2  DBU   5           HG2      DHB   5   5.672   2.106  -0.190
   38    HG3  DBU   5           HG3      DHB   5   5.997   2.754  -1.798
   39    H    CYS   6           HN       CYS   6   9.726  -0.096  -0.049
   40    HA   CYS   6           HA       CYS   6  10.109  -2.671  -1.431
   41    HB2  CYS   6           HB2      CYS   6  12.339  -2.012  -1.925
   42    HB3  CYS   6           HB1      CYS   6  11.336  -0.619  -2.297
   43    HA   PRO   7           HA       PRO   7  10.712  -3.373   3.144
   44    HB2  PRO   7           HB2      PRO   7   9.432  -5.829   3.076
   45    HB3  PRO   7           HB1      PRO   7   8.637  -4.292   3.463
   46    HG2  PRO   7           HG2      PRO   7   8.671  -5.816   0.910
   47    HG3  PRO   7           HG1      PRO   7   7.357  -4.893   1.660
   48    HD2  PRO   7           HD2      PRO   7   8.802  -3.915  -0.425
   49    HD3  PRO   7           HD1      PRO   7   8.131  -2.861   0.840
   50    H    ALA   8           HN       ALA   8  12.345  -4.625   4.002
   51    HA   ALA   8           HA       ALA   8  14.210  -5.967   4.030
   52    HB1  ALA   8           HB1      ALA   8  12.562  -7.545   2.040
   53    HB2  ALA   8           HB2      ALA   8  12.639  -7.806   3.782
   54    HB3  ALA   8           HB3      ALA   8  14.057  -8.118   2.779
   55    H    GLY   9           HN       GLY   9  13.384  -4.041   1.552
   56    HA2  GLY   9           HA2      GLY   9  15.368  -4.874  -0.398
   57    HA3  GLY   9           HA1      GLY   9  14.353  -3.437  -0.488
   58    H    GLY  10           HN       GLY  10  17.456  -4.594   0.123
   59    HA2  GLY  10           HA2      GLY  10  18.457  -2.760   2.012
   60    HA3  GLY  10           HA1      GLY  10  19.415  -3.559   0.766
   61    H    GLY  11           HN       GLY  11  17.839  -2.551  -1.427
   62    HA2  GLY  11           HA2      GLY  11  18.892   0.197  -1.506
   63    HA3  GLY  11           HA1      GLY  11  18.534  -0.807  -2.910
   64    H    DBB  12           HN       DBB  12  16.827   0.483  -0.044
   65    HA   DBB  12           HA       DBB  12  14.675   1.270   0.202
   66    HB2  DBB  12           HB2      DBB  12  14.456  -0.644  -1.914
   67    HG1  DBB  12           HG1      DBB  12  14.100   1.287  -3.409
   68    HG2  DBB  12           HG2      DBB  12  12.814   1.864  -2.352
   69    HG3  DBB  12           HG3      DBB  12  12.624   0.341  -3.218
   70    H    DAL  13           HN       DAL  13  16.107   1.777  -2.994
   71    HA   DAL  13           HA       DAL  13  16.703   3.739  -4.020
   72    HB1  DAL  13           HB2      DAL  13  16.154   4.612  -1.397
   73    HB2  DAL  13           HB3      DAL  13  17.013   5.479  -2.660
   74    H    GLU  14           HN       GLU  14  15.633   4.950  -5.715
   75    HA   GLU  14           HA       GLU  14  12.984   5.725  -5.795
   76    HB2  GLU  14           HB2      GLU  14  13.218   5.836  -8.187
   77    HB3  GLU  14           HB1      GLU  14  14.770   6.285  -7.477
   78    HG2  GLU  14           HG2      GLU  14  15.582   3.972  -7.807
   79    HG3  GLU  14           HG1      GLU  14  14.041   3.544  -8.549
   80    H    GLN  15           HN       GLN  15  14.221   2.545  -5.747
   81    HA   GLN  15           HA       GLN  15  12.290   1.185  -7.292
   82    HB2  GLN  15           HB2      GLN  15  14.401   0.154  -6.430
   83    HB3  GLN  15           HB1      GLN  15  13.694   0.140  -4.815
   84    HG2  GLN  15           HG2      GLN  15  11.858  -1.273  -5.594
   85    HG3  GLN  15           HG1      GLN  15  12.484  -1.214  -7.240
   86   HE21  GLN  15          HE21      GLN  15  12.179  -3.710  -5.883
   87   HE22  GLN  15          HE22      GLN  15  13.722  -4.349  -5.582
   88    H    DBB  16           HN       DBB  16  12.227   2.480  -4.037
   89    HA   DBB  16           HA       DBB  16   9.743   1.149  -3.342
   90    HB2  DBB  16           HB2      DBB  16   8.401   3.197  -3.230
   91    HG1  DBB  16           HG1      DBB  16   7.994   3.413  -5.562
   92    HG2  DBB  16           HG2      DBB  16   8.607   1.773  -5.343
   93    HG3  DBB  16           HG3      DBB  16   9.668   3.035  -5.968
   94    H    GLY  17           HN       GLY  17   9.578   0.976  -1.201
   95    HA2  GLY  17           HA2      GLY  17   9.874   2.681   0.837
   96    HA3  GLY  17           HA1      GLY  17  10.418   1.012   0.979
   97    H    DBU  18           HN       DHB  18  11.625   3.044   2.445
   98    HB   DBU  18           HB       DHB  18  15.668   3.202   2.502
   99    HG1  DBU  18           HG1      DHB  18  15.166   1.062   3.684
  100    HG2  DBU  18           HG2      DHB  18  13.708   0.849   2.717
  101    HG3  DBU  18           HG3      DHB  18  15.295   0.683   1.967
  102    H    CYS  19           HN       CYS  19  13.358   4.573  -0.280
  103    HA   CYS  19           HA       CYS  19  13.737   7.267   0.873
  104    HB2  CYS  19           HB2      CYS  19  15.194   7.894  -0.887
  105    HB3  CYS  19           HB1      CYS  19  15.773   6.323  -0.347
  106    H    CYS  20           HN       CYS  20  11.548   5.338  -0.509
  107    HA   CYS  20           HA       CYS  20  10.555   7.088  -2.591
  108    HB2  CYS  20           HB2      CYS  20   9.780   4.462  -1.440
  109    HB3  CYS  20           HB1      CYS  20   8.486   5.427  -2.148
  Start of MODEL    8
    1    H1   GLY   1           HT1      GLY   1   7.630   3.983   8.245
    2    H2   GLY   1           HT2      GLY   1   6.655   3.985   6.853
    3    H3   GLY   1           HT3      GLY   1   6.471   5.203   8.024
    4    HA2  GLY   1           HA2      GLY   1   7.688   5.953   6.026
    5    HA3  GLY   1           HA1      GLY   1   8.602   6.122   7.524
    6    H    ARG   2           HN       ARG   2  10.234   4.551   8.020
    7    HA   ARG   2           HA       ARG   2  11.770   3.749   5.766
    8    HB2  ARG   2           HB2      ARG   2  12.019   3.003   8.689
    9    HB3  ARG   2           HB1      ARG   2  13.229   2.658   7.449
   10    HG2  ARG   2           HG2      ARG   2  12.214   5.440   8.105
   11    HG3  ARG   2           HG1      ARG   2  13.703   4.754   8.756
   12    HD2  ARG   2           HD2      ARG   2  14.606   4.491   6.503
   13    HD3  ARG   2           HD1      ARG   2  13.095   5.063   5.802
   14    HE   ARG   2           HE       ARG   2  14.268   6.953   7.635
   15   HH11  ARG   2          HH11      ARG   2  14.269   5.695   4.411
   16   HH12  ARG   2          HH12      ARG   2  14.887   7.148   3.697
   17   HH21  ARG   2          HH21      ARG   2  15.079   8.860   6.705
   18   HH22  ARG   2          HH22      ARG   2  15.345   8.940   4.997
   19    H    ILE   3           HN       ILE   3  12.297   1.650   5.055
   20    HA   ILE   3           HA       ILE   3  11.845  -0.511   4.436
   21    HB   ILE   3           HB       ILE   3  10.405  -0.837   7.064
   22   HG12  ILE   3          HG12      ILE   3  13.097  -1.596   7.376
   23   HG13  ILE   3          HG11      ILE   3  13.150  -0.013   6.596
   24   HG21  ILE   3          HG21      ILE   3  11.291  -3.113   6.891
   25   HG22  ILE   3          HG22      ILE   3  12.166  -2.682   5.422
   26   HG23  ILE   3          HG23      ILE   3  10.402  -2.710   5.423
   27   HD11  ILE   3          HD11      ILE   3  12.420  -0.689   9.331
   28   HD12  ILE   3          HD12      ILE   3  11.141   0.225   8.531
   29   HD13  ILE   3          HD13      ILE   3  12.773   0.890   8.628
   30    H    ASP   4           HN       ASP   4   9.595   1.814   4.740
   31    HA   ASP   4           HA       ASP   4   7.261   0.131   4.168
   32    HB2  ASP   4           HB2      ASP   4   7.164   2.121   5.743
   33    HB3  ASP   4           HB1      ASP   4   7.367   3.146   4.324
   34    H    DBU   5           HN       DHB   5   7.075  -0.528   2.109
   35    HB   DBU   5           HB       DHB   5   6.726   1.315  -1.558
   36    HG1  DBU   5           HG1      DHB   5   6.191   2.854   0.973
   37    HG2  DBU   5           HG2      DHB   5   5.676   3.257  -0.664
   38    HG3  DBU   5           HG3      DHB   5   4.776   2.066   0.274
   39    H    CYS   6           HN       CYS   6   9.670  -0.228   0.938
   40    HA   CYS   6           HA       CYS   6   9.785  -2.461  -0.983
   41    HB2  CYS   6           HB2      CYS   6  11.942  -1.817  -1.754
   42    HB3  CYS   6           HB1      CYS   6  10.962  -0.365  -1.828
   43    HA   PRO   7           HA       PRO   7  11.097  -3.436   3.448
   44    HB2  PRO   7           HB2      PRO   7   9.257  -5.710   2.924
   45    HB3  PRO   7           HB1      PRO   7   9.379  -4.665   4.351
   46    HG2  PRO   7           HG2      PRO   7   7.350  -4.442   2.646
   47    HG3  PRO   7           HG1      PRO   7   8.068  -3.018   3.419
   48    HD2  PRO   7           HD2      PRO   7   8.436  -4.022   0.612
   49    HD3  PRO   7           HD1      PRO   7   8.300  -2.349   1.205
   50    H    ALA   8           HN       ALA   8  12.702  -4.900   3.938
   51    HA   ALA   8           HA       ALA   8  14.274  -6.552   3.650
   52    HB1  ALA   8           HB1      ALA   8  12.966  -7.905   1.398
   53    HB2  ALA   8           HB2      ALA   8  11.934  -7.723   2.816
   54    HB3  ALA   8           HB3      ALA   8  13.486  -8.551   2.954
   55    H    GLY   9           HN       GLY   9  13.326  -4.366   1.315
   56    HA2  GLY   9           HA2      GLY   9  15.276  -5.157  -0.705
   57    HA3  GLY   9           HA1      GLY   9  14.178  -3.785  -0.795
   58    H    GLY  10           HN       GLY  10  17.088  -4.978   0.859
   59    HA2  GLY  10           HA2      GLY  10  18.062  -2.970   2.304
   60    HA3  GLY  10           HA1      GLY  10  19.098  -3.801   1.151
   61    H    GLY  11           HN       GLY  11  17.642  -2.848  -1.186
   62    HA2  GLY  11           HA2      GLY  11  18.766  -0.133  -1.284
   63    HA3  GLY  11           HA1      GLY  11  18.383  -1.143  -2.675
   64    H    DBB  12           HN       DBB  12  16.696   0.281   0.133
   65    HA   DBB  12           HA       DBB  12  14.613   1.237   0.330
   66    HB2  DBB  12           HB2      DBB  12  14.286  -0.793  -1.663
   67    HG1  DBB  12           HG1      DBB  12  12.473   0.211  -2.988
   68    HG2  DBB  12           HG2      DBB  12  13.988   1.081  -3.235
   69    HG3  DBB  12           HG3      DBB  12  12.745   1.761  -2.194
   70    H    DAL  13           HN       DAL  13  16.057   1.491  -2.903
   71    HA   DAL  13           HA       DAL  13  16.602   3.348  -4.116
   72    HB1  DAL  13           HB2      DAL  13  16.153   4.420  -1.510
   73    HB2  DAL  13           HB3      DAL  13  17.099   5.098  -2.825
   74    H    GLU  14           HN       GLU  14  15.453   4.605  -5.748
   75    HA   GLU  14           HA       GLU  14  12.785   5.349  -5.690
   76    HB2  GLU  14           HB2      GLU  14  14.408   6.028  -7.439
   77    HB3  GLU  14           HB1      GLU  14  14.355   4.392  -8.096
   78    HG2  GLU  14           HG2      GLU  14  12.824   5.771  -9.372
   79    HG3  GLU  14           HG1      GLU  14  11.877   4.658  -8.393
   80    H    GLN  15           HN       GLN  15  14.012   2.240  -5.520
   81    HA   GLN  15           HA       GLN  15  12.106   0.794  -7.052
   82    HB2  GLN  15           HB2      GLN  15  13.867   0.016  -4.727
   83    HB3  GLN  15           HB1      GLN  15  12.822  -1.131  -5.559
   84    HG2  GLN  15           HG2      GLN  15  13.952  -0.642  -7.683
   85    HG3  GLN  15           HG1      GLN  15  14.966   0.557  -6.883
   86   HE21  GLN  15          HE21      GLN  15  16.585  -1.189  -7.951
   87   HE22  GLN  15          HE22      GLN  15  17.091  -2.412  -6.888
   88    H    DBB  16           HN       DBB  16  12.024   2.300  -3.936
   89    HA   DBB  16           HA       DBB  16   9.735   0.787  -2.995
   90    HB2  DBB  16           HB2      DBB  16   8.055   2.264  -3.439
   91    HG1  DBB  16           HG1      DBB  16   9.108   1.817  -5.626
   92    HG2  DBB  16           HG2      DBB  16  10.125   3.239  -5.418
   93    HG3  DBB  16           HG3      DBB  16   8.382   3.423  -5.582
   94    H    GLY  17           HN       GLY  17   9.475   0.979  -0.824
   95    HA2  GLY  17           HA2      GLY  17   9.879   2.960   0.942
   96    HA3  GLY  17           HA1      GLY  17  10.336   1.298   1.319
   97    H    DBU  18           HN       DHB  18  11.708   3.396   2.482
   98    HB   DBU  18           HB       DHB  18  15.747   3.378   2.458
   99    HG1  DBU  18           HG1      DHB  18  15.557   0.909   2.445
  100    HG2  DBU  18           HG2      DHB  18  14.801   1.429   3.951
  101    HG3  DBU  18           HG3      DHB  18  13.800   1.013   2.561
  102    H    CYS  19           HN       CYS  19  13.345   4.540  -0.393
  103    HA   CYS  19           HA       CYS  19  13.718   7.342   0.441
  104    HB2  CYS  19           HB2      CYS  19  15.301   7.793  -1.232
  105    HB3  CYS  19           HB1      CYS  19  15.829   6.247  -0.581
  106    H    CYS  20           HN       CYS  20  12.715   5.134  -2.170
  107    HA   CYS  20           HA       CYS  20  11.488   6.801  -3.934
  108    HB2  CYS  20           HB2      CYS  20  10.515   4.929  -4.752
  109    HB3  CYS  20           HB1      CYS  20  11.458   4.098  -3.524
  Start of MODEL    9
    1    H1   GLY   1           HT1      GLY   1   7.279   4.330   8.282
    2    H2   GLY   1           HT2      GLY   1   7.125   2.649   8.094
    3    H3   GLY   1           HT3      GLY   1   5.869   3.680   7.600
    4    HA2  GLY   1           HA2      GLY   1   6.835   3.254   5.591
    5    HA3  GLY   1           HA1      GLY   1   7.705   4.706   6.085
    6    H    ARG   2           HN       ARG   2   9.867   4.600   6.456
    7    HA   ARG   2           HA       ARG   2  11.970   3.700   5.975
    8    HB2  ARG   2           HB2      ARG   2  10.871   2.059   8.266
    9    HB3  ARG   2           HB1      ARG   2  12.566   2.037   7.775
   10    HG2  ARG   2           HG2      ARG   2  12.731   4.456   8.160
   11    HG3  ARG   2           HG1      ARG   2  11.026   4.514   8.605
   12    HD2  ARG   2           HD2      ARG   2  11.453   2.998  10.493
   13    HD3  ARG   2           HD1      ARG   2  13.155   2.907  10.046
   14    HE   ARG   2           HE       ARG   2  13.458   5.079  10.890
   15   HH11  ARG   2          HH11      ARG   2  10.134   4.123  10.836
   16   HH12  ARG   2          HH12      ARG   2   9.597   5.435  11.832
   17   HH21  ARG   2          HH21      ARG   2  12.764   6.801  12.197
   18   HH22  ARG   2          HH22      ARG   2  11.086   6.950  12.603
   19    H    ILE   3           HN       ILE   3  11.047   0.579   7.117
   20    HA   ILE   3           HA       ILE   3  12.019  -0.759   4.829
   21    HB   ILE   3           HB       ILE   3  10.269  -1.696   7.105
   22   HG12  ILE   3          HG12      ILE   3  13.182  -2.258   6.500
   23   HG13  ILE   3          HG11      ILE   3  12.663  -0.906   7.509
   24   HG21  ILE   3          HG21      ILE   3  10.116  -3.016   4.887
   25   HG22  ILE   3          HG22      ILE   3  10.545  -3.921   6.340
   26   HG23  ILE   3          HG23      ILE   3  11.797  -3.457   5.186
   27   HD11  ILE   3          HD11      ILE   3  11.514  -2.457   9.024
   28   HD12  ILE   3          HD12      ILE   3  13.218  -2.889   8.876
   29   HD13  ILE   3          HD13      ILE   3  11.994  -3.817   8.010
   30    H    ASP   4           HN       ASP   4   8.712   0.008   5.880
   31    HA   ASP   4           HA       ASP   4   7.234  -1.413   4.040
   32    HB2  ASP   4           HB2      ASP   4   6.794   1.374   5.130
   33    HB3  ASP   4           HB1      ASP   4   5.597   0.515   4.163
   34    H    DBU   5           HN       DHB   5   6.776  -1.265   1.894
   35    HB   DBU   5           HB       DHB   5   7.053   1.215  -1.298
   36    HG1  DBU   5           HG1      DHB   5   4.725   1.204   0.276
   37    HG2  DBU   5           HG2      DHB   5   5.858   2.081   1.305
   38    HG3  DBU   5           HG3      DHB   5   5.479   2.689  -0.307
   39    H    CYS   6           HN       CYS   6   9.728  -0.445   1.412
   40    HA   CYS   6           HA       CYS   6  10.622  -2.121  -0.850
   41    HB2  CYS   6           HB2      CYS   6  11.547   0.239  -0.934
   42    HB3  CYS   6           HB1      CYS   6  12.404  -0.129   0.558
   43    HA   PRO   7           HA       PRO   7  11.203  -4.016   3.441
   44    HB2  PRO   7           HB2      PRO   7  10.120  -6.368   1.991
   45    HB3  PRO   7           HB1      PRO   7   9.676  -5.722   3.582
   46    HG2  PRO   7           HG2      PRO   7   8.087  -5.466   1.441
   47    HG3  PRO   7           HG1      PRO   7   8.177  -4.234   2.711
   48    HD2  PRO   7           HD2      PRO   7   9.345  -4.189  -0.042
   49    HD3  PRO   7           HD1      PRO   7   8.722  -2.848   0.943
   50    H    ALA   8           HN       ALA   8  13.050  -5.117   3.941
   51    HA   ALA   8           HA       ALA   8  15.195  -5.898   3.549
   52    HB1  ALA   8           HB1      ALA   8  14.382  -7.938   1.640
   53    HB2  ALA   8           HB2      ALA   8  13.283  -7.851   3.018
   54    HB3  ALA   8           HB3      ALA   8  15.006  -8.122   3.280
   55    H    GLY   9           HN       GLY   9  13.928  -3.978   1.474
   56    HA2  GLY   9           HA2      GLY   9  15.614  -4.644  -0.850
   57    HA3  GLY   9           HA1      GLY   9  14.287  -3.482  -0.848
   58    H    GLY  10           HN       GLY  10  17.449  -4.045   0.726
   59    HA2  GLY  10           HA2      GLY  10  18.152  -1.755   1.864
   60    HA3  GLY  10           HA1      GLY  10  19.269  -2.551   0.758
   61    H    GLY  11           HN       GLY  11  18.327  -2.149  -1.682
   62    HA2  GLY  11           HA2      GLY  11  18.739   0.675  -2.115
   63    HA3  GLY  11           HA1      GLY  11  18.501  -0.552  -3.357
   64    H    DBB  12           HN       DBB  12  16.492   0.458  -0.606
   65    HA   DBB  12           HA       DBB  12  14.265   0.966  -0.466
   66    HB2  DBB  12           HB2      DBB  12  14.380  -0.364  -3.147
   67    HG1  DBB  12           HG1      DBB  12  12.231   1.475  -2.144
   68    HG2  DBB  12           HG2      DBB  12  11.810   0.083  -3.145
   69    HG3  DBB  12           HG3      DBB  12  12.901   1.322  -3.767
   70    H    DAL  13           HN       DAL  13  16.223   2.232  -3.047
   71    HA   DAL  13           HA       DAL  13  16.452   4.523  -3.522
   72    HB1  DAL  13           HB2      DAL  13  14.862   6.107  -2.797
   73    HB2  DAL  13           HB3      DAL  13  13.614   4.879  -2.607
   74    H    GLU  14           HN       GLU  14  16.161   2.862  -5.532
   75    HA   GLU  14           HA       GLU  14  14.590   4.306  -7.440
   76    HB2  GLU  14           HB2      GLU  14  16.758   3.226  -7.993
   77    HB3  GLU  14           HB1      GLU  14  16.005   1.649  -7.754
   78    HG2  GLU  14           HG2      GLU  14  14.403   2.107  -9.542
   79    HG3  GLU  14           HG1      GLU  14  15.061   3.730  -9.747
   80    H    GLN  15           HN       GLN  15  13.657   2.156  -5.149
   81    HA   GLN  15           HA       GLN  15  11.442   1.150  -6.827
   82    HB2  GLN  15           HB2      GLN  15  13.192  -0.237  -4.871
   83    HB3  GLN  15           HB1      GLN  15  11.483  -0.679  -4.851
   84    HG2  GLN  15           HG2      GLN  15  11.585  -1.104  -7.292
   85    HG3  GLN  15           HG1      GLN  15  13.297  -0.686  -7.286
   86   HE21  GLN  15          HE21      GLN  15  14.398  -2.649  -7.530
   87   HE22  GLN  15          HE22      GLN  15  14.093  -4.043  -6.612
   88    H    DBB  16           HN       DBB  16  11.614   3.638  -5.147
   89    HA   DBB  16           HA       DBB  16   9.015   3.460  -4.009
   90    HB2  DBB  16           HB2      DBB  16  10.133   5.559  -4.884
   91    HG1  DBB  16           HG1      DBB  16  11.478   6.789  -3.112
   92    HG2  DBB  16           HG2      DBB  16  12.270   5.454  -3.934
   93    HG3  DBB  16           HG3      DBB  16  11.644   5.232  -2.312
   94    H    GLY  17           HN       GLY  17   8.333   2.852  -2.057
   95    HA2  GLY  17           HA2      GLY  17   8.438   2.668   0.301
   96    HA3  GLY  17           HA1      GLY  17   9.441   1.324  -0.234
   97    H    DBU  18           HN       DHB  18  10.885   1.341   1.483
   98    HB   DBU  18           HB       DHB  18  14.115   2.480   3.160
   99    HG1  DBU  18           HG1      DHB  18  12.350   0.067   2.507
  100    HG2  DBU  18           HG2      DHB  18  14.072   0.058   2.123
  101    HG3  DBU  18           HG3      DHB  18  13.544   0.171   3.803
  102    H    CYS  19           HN       CYS  19  13.608   4.067   0.370
  103    HA   CYS  19           HA       CYS  19  13.847   6.512   1.829
  104    HB2  CYS  19           HB2      CYS  19  14.260   6.979  -0.959
  105    HB3  CYS  19           HB1      CYS  19  15.463   6.862   0.317
  106    H    CYS  20           HN       CYS  20  11.687   5.406  -0.733
  107    HA   CYS  20           HA       CYS  20  10.483   7.532  -1.791
  108    HB2  CYS  20           HB2      CYS  20   9.603   4.923  -1.121
  109    HB3  CYS  20           HB1      CYS  20   8.326   6.028  -0.666
  Start of MODEL   10
    1    H1   GLY   1           HT1      GLY   1  16.183   2.605   8.718
    2    H2   GLY   1           HT2      GLY   1  16.014   4.152   9.397
    3    H3   GLY   1           HT3      GLY   1  17.120   3.892   8.133
    4    HA2  GLY   1           HA2      GLY   1  14.164   3.664   7.923
    5    HA3  GLY   1           HA1      GLY   1  15.137   5.005   7.317
    6    H    ARG   2           HN       ARG   2  17.085   2.425   6.985
    7    HA   ARG   2           HA       ARG   2  16.789   2.320   4.154
    8    HB2  ARG   2           HB2      ARG   2  18.954   2.008   5.318
    9    HB3  ARG   2           HB1      ARG   2  18.362   0.475   5.958
   10    HG2  ARG   2           HG2      ARG   2  18.226  -0.499   3.793
   11    HG3  ARG   2           HG1      ARG   2  18.399   1.064   2.996
   12    HD2  ARG   2           HD2      ARG   2  20.693   1.261   3.787
   13    HD3  ARG   2           HD1      ARG   2  20.537  -0.228   4.714
   14    HE   ARG   2           HE       ARG   2  19.956  -1.002   2.162
   15   HH11  ARG   2          HH11      ARG   2  22.519   0.795   3.637
   16   HH12  ARG   2          HH12      ARG   2  23.726   0.259   2.515
   17   HH21  ARG   2          HH21      ARG   2  21.537  -1.724   0.700
   18   HH22  ARG   2          HH22      ARG   2  23.170  -1.167   0.853
   19    H    ILE   3           HN       ILE   3  15.271   0.656   6.714
   20    HA   ILE   3           HA       ILE   3  14.413  -1.519   4.923
   21    HB   ILE   3           HB       ILE   3  14.024  -1.275   7.913
   22   HG12  ILE   3          HG12      ILE   3  16.420  -1.315   7.256
   23   HG13  ILE   3          HG11      ILE   3  15.944  -2.800   8.085
   24   HG21  ILE   3          HG21      ILE   3  13.704  -3.767   7.662
   25   HG22  ILE   3          HG22      ILE   3  13.725  -3.538   5.913
   26   HG23  ILE   3          HG23      ILE   3  12.448  -2.803   6.885
   27   HD11  ILE   3          HD11      ILE   3  17.162  -3.566   6.209
   28   HD12  ILE   3          HD12      ILE   3  16.440  -2.360   5.143
   29   HD13  ILE   3          HD13      ILE   3  15.478  -3.726   5.710
   30    H    ASP   4           HN       ASP   4  13.461   1.491   5.676
   31    HA   ASP   4           HA       ASP   4  10.741   1.214   6.418
   32    HB2  ASP   4           HB2      ASP   4  12.326   3.402   5.085
   33    HB3  ASP   4           HB1      ASP   4  10.585   3.550   5.322
   34    H    DBU   5           HN       DHB   5   8.884   1.001   5.216
   35    HB   DBU   5           HB       DHB   5   7.015   0.818   1.786
   36    HG1  DBU   5           HG1      DHB   5   5.727   2.274   3.322
   37    HG2  DBU   5           HG2      DHB   5   7.170   2.591   4.284
   38    HG3  DBU   5           HG3      DHB   5   7.011   3.297   2.676
   39    H    CYS   6           HN       CYS   6   9.455   0.418   0.846
   40    HA   CYS   6           HA       CYS   6   9.419  -2.059  -0.025
   41    HB2  CYS   6           HB2      CYS   6  11.528  -1.751  -1.152
   42    HB3  CYS   6           HB1      CYS   6  10.742  -0.180  -1.048
   43    HA   PRO   7           HA       PRO   7  11.088  -4.105   3.710
   44    HB2  PRO   7           HB2      PRO   7   9.789  -6.477   3.202
   45    HB3  PRO   7           HB1      PRO   7   9.060  -5.117   4.076
   46    HG2  PRO   7           HG2      PRO   7   8.736  -5.928   1.229
   47    HG3  PRO   7           HG1      PRO   7   7.528  -5.328   2.377
   48    HD2  PRO   7           HD2      PRO   7   8.623  -3.731   0.465
   49    HD3  PRO   7           HD1      PRO   7   8.121  -3.105   2.053
   50    H    ALA   8           HN       ALA   8  12.803  -5.522   3.894
   51    HA   ALA   8           HA       ALA   8  14.724  -6.568   3.161
   52    HB1  ALA   8           HB1      ALA   8  14.324  -8.635   1.990
   53    HB2  ALA   8           HB2      ALA   8  12.773  -8.051   1.386
   54    HB3  ALA   8           HB3      ALA   8  12.982  -8.382   3.106
   55    H    GLY   9           HN       GLY   9  13.469  -4.275   1.448
   56    HA2  GLY   9           HA2      GLY   9  14.476  -4.821  -1.207
   57    HA3  GLY   9           HA1      GLY   9  13.817  -3.292  -0.631
   58    H    GLY  10           HN       GLY  10  15.921  -4.020   1.696
   59    HA2  GLY  10           HA2      GLY  10  17.952  -3.103   2.296
   60    HA3  GLY  10           HA1      GLY  10  18.502  -3.787   0.770
   61    H    GLY  11           HN       GLY  11  18.385  -2.477  -1.149
   62    HA2  GLY  11           HA2      GLY  11  19.392   0.097  -0.897
   63    HA3  GLY  11           HA1      GLY  11  18.617  -0.527  -2.351
   64    H    DBB  12           HN       DBB  12  16.102  -1.009  -0.858
   65    HA   DBB  12           HA       DBB  12  14.836   0.953   0.422
   66    HB2  DBB  12           HB2      DBB  12  14.043  -1.105  -1.364
   67    HG1  DBB  12           HG1      DBB  12  12.033   0.031  -2.390
   68    HG2  DBB  12           HG2      DBB  12  13.581   0.475  -3.104
   69    HG3  DBB  12           HG3      DBB  12  12.780   1.575  -1.985
   70    H    DAL  13           HN       DAL  13  15.985   1.101  -2.868
   71    HA   DAL  13           HA       DAL  13  16.442   2.881  -4.221
   72    HB1  DAL  13           HB2      DAL  13  15.935   4.224  -1.623
   73    HB2  DAL  13           HB3      DAL  13  17.320   4.325  -2.702
   74    H    GLU  14           HN       GLU  14  15.213   4.392  -5.647
   75    HA   GLU  14           HA       GLU  14  12.601   5.209  -5.299
   76    HB2  GLU  14           HB2      GLU  14  14.037   4.379  -7.827
   77    HB3  GLU  14           HB1      GLU  14  12.456   5.160  -7.811
   78    HG2  GLU  14           HG2      GLU  14  13.383   7.092  -6.643
   79    HG3  GLU  14           HG1      GLU  14  14.959   6.309  -6.548
   80    H    GLN  15           HN       GLN  15  13.698   2.034  -5.419
   81    HA   GLN  15           HA       GLN  15  11.511   0.778  -6.750
   82    HB2  GLN  15           HB2      GLN  15  13.578  -0.247  -4.790
   83    HB3  GLN  15           HB1      GLN  15  12.378  -1.280  -5.568
   84    HG2  GLN  15           HG2      GLN  15  13.215  -0.635  -7.773
   85    HG3  GLN  15           HG1      GLN  15  14.369   0.474  -7.032
   86   HE21  GLN  15          HE21      GLN  15  15.779  -1.186  -8.453
   87   HE22  GLN  15          HE22      GLN  15  16.392  -2.508  -7.583
   88    H    DBB  16           HN       DBB  16  11.335   2.663  -4.182
   89    HA   DBB  16           HA       DBB  16   9.415   0.963  -2.709
   90    HB2  DBB  16           HB2      DBB  16   7.733   2.523  -2.835
   91    HG1  DBB  16           HG1      DBB  16   9.430   3.283  -5.223
   92    HG2  DBB  16           HG2      DBB  16   7.703   3.593  -5.052
   93    HG3  DBB  16           HG3      DBB  16   8.296   1.935  -5.153
   94    H    GLY  17           HN       GLY  17   9.105   1.517  -0.492
   95    HA2  GLY  17           HA2      GLY  17   9.924   3.400   1.148
   96    HA3  GLY  17           HA1      GLY  17  10.282   1.724   1.547
   97    H    DBU  18           HN       DHB  18  11.791   4.226   2.134
   98    HB   DBU  18           HB       DHB  18  15.848   3.710   1.834
   99    HG1  DBU  18           HG1      DHB  18  15.648   1.361   2.287
  100    HG2  DBU  18           HG2      DHB  18  14.731   2.016   3.643
  101    HG3  DBU  18           HG3      DHB  18  13.889   1.430   2.209
  102    H    CYS  19           HN       CYS  19  13.831   4.661  -0.962
  103    HA   CYS  19           HA       CYS  19  14.136   7.551  -0.446
  104    HB2  CYS  19           HB2      CYS  19  15.904   7.752  -1.970
  105    HB3  CYS  19           HB1      CYS  19  16.291   6.269  -1.111
  106    H    CYS  20           HN       CYS  20  12.037   5.426  -1.554
  107    HA   CYS  20           HA       CYS  20  11.430   6.731  -4.109
  108    HB2  CYS  20           HB2      CYS  20  10.219   4.879  -4.644
  109    HB3  CYS  20           HB1      CYS  20  11.226   4.145  -3.399
  Start of MODEL   11
    1    H1   GLY   1           HT1      GLY   1   8.557   5.339   4.909
    2    H2   GLY   1           HT2      GLY   1   7.645   3.906   4.918
    3    H3   GLY   1           HT3      GLY   1   9.121   3.971   4.081
    4    HA2  GLY   1           HA2      GLY   1   9.582   4.712   6.750
    5    HA3  GLY   1           HA1      GLY   1   8.683   3.193   6.720
    6    H    ARG   2           HN       ARG   2  11.116   4.581   4.511
    7    HA   ARG   2           HA       ARG   2  12.855   3.463   3.430
    8    HB2  ARG   2           HB2      ARG   2  13.482   3.157   6.375
    9    HB3  ARG   2           HB1      ARG   2  14.648   2.907   5.076
   10    HG2  ARG   2           HG2      ARG   2  14.343   5.218   4.320
   11    HG3  ARG   2           HG1      ARG   2  13.116   5.479   5.559
   12    HD2  ARG   2           HD2      ARG   2  15.221   6.381   6.361
   13    HD3  ARG   2           HD1      ARG   2  14.831   4.943   7.300
   14    HE   ARG   2           HE       ARG   2  16.439   4.212   5.086
   15   HH11  ARG   2          HH11      ARG   2  16.540   5.909   8.098
   16   HH12  ARG   2          HH12      ARG   2  18.217   5.585   8.385
   17   HH21  ARG   2          HH21      ARG   2  18.639   3.780   5.454
   18   HH22  ARG   2          HH22      ARG   2  19.406   4.379   6.887
   19    H    ILE   3           HN       ILE   3  13.161   1.375   6.203
   20    HA   ILE   3           HA       ILE   3  13.279  -0.979   4.641
   21    HB   ILE   3           HB       ILE   3  12.726  -0.732   7.606
   22   HG12  ILE   3          HG12      ILE   3  15.393  -1.121   6.227
   23   HG13  ILE   3          HG11      ILE   3  14.792   0.471   6.695
   24   HG21  ILE   3          HG21      ILE   3  12.581  -2.969   6.050
   25   HG22  ILE   3          HG22      ILE   3  13.060  -2.984   7.747
   26   HG23  ILE   3          HG23      ILE   3  14.291  -2.978   6.483
   27   HD11  ILE   3          HD11      ILE   3  15.246  -1.880   8.557
   28   HD12  ILE   3          HD12      ILE   3  14.577  -0.320   9.040
   29   HD13  ILE   3          HD13      ILE   3  16.239  -0.426   8.460
   30    H    ASP   4           HN       ASP   4  10.701   0.417   6.645
   31    HA   ASP   4           HA       ASP   4   8.842  -1.684   6.337
   32    HB2  ASP   4           HB2      ASP   4   8.658   1.212   7.071
   33    HB3  ASP   4           HB1      ASP   4   7.179   0.315   6.738
   34    H    DBU   5           HN       DHB   5   9.563   1.163   4.365
   35    HB   DBU   5           HB       DHB   5   7.308   1.929   1.183
   36    HG1  DBU   5           HG1      DHB   5   7.395   3.790   3.104
   37    HG2  DBU   5           HG2      DHB   5   5.845   2.996   2.820
   38    HG3  DBU   5           HG3      DHB   5   6.873   2.474   4.157
   39    H    CYS   6           HN       CYS   6  10.832   0.107   2.581
   40    HA   CYS   6           HA       CYS   6  10.824  -1.007  -0.064
   41    HB2  CYS   6           HB2      CYS   6  12.822   0.012   1.125
   42    HB3  CYS   6           HB1      CYS   6  12.896  -1.467   2.084
   43    HA   PRO   7           HA       PRO   7   9.273  -4.992   1.091
   44    HB2  PRO   7           HB2      PRO   7   9.960  -6.353  -1.176
   45    HB3  PRO   7           HB1      PRO   7   8.610  -5.204  -1.105
   46    HG2  PRO   7           HG2      PRO   7  11.349  -4.842  -2.200
   47    HG3  PRO   7           HG1      PRO   7   9.799  -4.224  -2.797
   48    HD2  PRO   7           HD2      PRO   7  11.606  -2.706  -1.368
   49    HD3  PRO   7           HD1      PRO   7   9.861  -2.374  -1.419
   50    H    ALA   8           HN       ALA   8  11.563  -4.546   2.465
   51    HA   ALA   8           HA       ALA   8  13.090  -5.853   3.630
   52    HB1  ALA   8           HB1      ALA   8  12.926  -8.083   3.404
   53    HB2  ALA   8           HB2      ALA   8  13.415  -8.018   1.711
   54    HB3  ALA   8           HB3      ALA   8  11.725  -7.775   2.152
   55    H    GLY   9           HN       GLY   9  13.289  -4.668   0.509
   56    HA2  GLY   9           HA2      GLY   9  15.984  -5.407  -0.137
   57    HA3  GLY   9           HA1      GLY   9  15.031  -4.151  -0.920
   58    H    GLY  10           HN       GLY  10  17.835  -4.512   0.537
   59    HA2  GLY  10           HA2      GLY  10  17.924  -2.598   2.613
   60    HA3  GLY  10           HA1      GLY  10  19.301  -3.137   1.657
   61    H    GLY  11           HN       GLY  11  18.366  -2.327  -0.892
   62    HA2  GLY  11           HA2      GLY  11  19.216   0.373  -0.938
   63    HA3  GLY  11           HA1      GLY  11  18.497  -0.501  -2.287
   64    H    DBB  12           HN       DBB  12  16.015  -1.138  -1.065
   65    HA   DBB  12           HA       DBB  12  14.514   0.709   0.193
   66    HB2  DBB  12           HB2      DBB  12  13.776  -0.807  -2.328
   67    HG1  DBB  12           HG1      DBB  12  12.009   0.666  -0.355
   68    HG2  DBB  12           HG2      DBB  12  11.447  -0.335  -1.694
   69    HG3  DBB  12           HG3      DBB  12  12.326   1.161  -2.017
   70    H    DAL  13           HN       DAL  13  16.087   1.143  -2.851
   71    HA   DAL  13           HA       DAL  13  16.231   2.926  -4.292
   72    HB1  DAL  13           HB2      DAL  13  15.425   4.283  -1.723
   73    HB2  DAL  13           HB3      DAL  13  17.017   4.225  -2.479
   74    H    GLU  14           HN       GLU  14  14.912   4.149  -5.756
   75    HA   GLU  14           HA       GLU  14  12.346   5.038  -5.486
   76    HB2  GLU  14           HB2      GLU  14  13.615   3.693  -7.879
   77    HB3  GLU  14           HB1      GLU  14  12.072   4.546  -7.938
   78    HG2  GLU  14           HG2      GLU  14  13.532   6.252  -8.537
   79    HG3  GLU  14           HG1      GLU  14  13.446   6.485  -6.793
   80    H    GLN  15           HN       GLN  15  13.393   1.802  -5.291
   81    HA   GLN  15           HA       GLN  15  11.175   0.366  -6.213
   82    HB2  GLN  15           HB2      GLN  15  13.101  -0.216  -3.955
   83    HB3  GLN  15           HB1      GLN  15  11.909  -1.374  -4.547
   84    HG2  GLN  15           HG2      GLN  15  12.889  -1.269  -6.792
   85    HG3  GLN  15           HG1      GLN  15  14.049  -0.061  -6.247
   86   HE21  GLN  15          HE21      GLN  15  13.792  -3.323  -6.862
   87   HE22  GLN  15          HE22      GLN  15  14.998  -3.895  -5.814
   88    H    DBB  16           HN       DBB  16  11.605   2.298  -3.359
   89    HA   DBB  16           HA       DBB  16   9.310   1.198  -1.974
   90    HB2  DBB  16           HB2      DBB  16   8.241   3.607  -2.058
   91    HG1  DBB  16           HG1      DBB  16   7.648   2.417  -4.620
   92    HG2  DBB  16           HG2      DBB  16   6.666   2.446  -3.155
   93    HG3  DBB  16           HG3      DBB  16   7.844   1.158  -3.401
   94    H    GLY  17           HN       GLY  17   9.559   1.501   0.153
   95    HA2  GLY  17           HA2      GLY  17  10.320   3.787   1.500
   96    HA3  GLY  17           HA1      GLY  17  10.538   2.160   2.135
   97    H    DBU  18           HN       DHB  18  12.169   4.906   1.660
   98    HB   DBU  18           HB       DHB  18  16.223   3.991   1.634
   99    HG1  DBU  18           HG1      DHB  18  15.525   1.552   1.986
  100    HG2  DBU  18           HG2      DHB  18  15.539   2.433   3.514
  101    HG3  DBU  18           HG3      DHB  18  14.012   2.130   2.685
  102    H    CYS  19           HN       CYS  19  13.536   4.954  -1.066
  103    HA   CYS  19           HA       CYS  19  14.064   7.805  -0.897
  104    HB2  CYS  19           HB2      CYS  19  15.824   7.918  -2.452
  105    HB3  CYS  19           HB1      CYS  19  16.281   6.575  -1.404
  106    H    CYS  20           HN       CYS  20  11.786   6.037  -1.471
  107    HA   CYS  20           HA       CYS  20  11.222   6.086  -4.263
  108    HB2  CYS  20           HB2      CYS  20   9.940   5.173  -1.871
  109    HB3  CYS  20           HB1      CYS  20   8.795   6.149  -2.791
  Start of MODEL   12
    1    H1   GLY   1           HT1      GLY   1   7.630   6.189   5.484
    2    H2   GLY   1           HT2      GLY   1   9.242   6.700   5.313
    3    H3   GLY   1           HT3      GLY   1   8.403   6.995   6.760
    4    HA2  GLY   1           HA2      GLY   1   9.565   5.187   7.428
    5    HA3  GLY   1           HA1      GLY   1   8.158   4.386   6.727
    6    H    ARG   2           HN       ARG   2  11.418   4.280   6.798
    7    HA   ARG   2           HA       ARG   2  12.209   3.998   4.108
    8    HB2  ARG   2           HB2      ARG   2  13.303   2.799   6.658
    9    HB3  ARG   2           HB1      ARG   2  14.083   2.614   5.087
   10    HG2  ARG   2           HG2      ARG   2  14.312   5.028   4.863
   11    HG3  ARG   2           HG1      ARG   2  13.407   5.283   6.356
   12    HD2  ARG   2           HD2      ARG   2  16.018   3.755   6.186
   13    HD3  ARG   2           HD1      ARG   2  15.889   5.445   6.661
   14    HE   ARG   2           HE       ARG   2  14.147   3.979   8.293
   15   HH11  ARG   2          HH11      ARG   2  17.526   4.256   7.595
   16   HH12  ARG   2          HH12      ARG   2  18.034   3.796   9.185
   17   HH21  ARG   2          HH21      ARG   2  14.806   3.375  10.381
   18   HH22  ARG   2          HH22      ARG   2  16.494   3.297  10.763
   19    H    ILE   3           HN       ILE   3  10.989   1.637   6.461
   20    HA   ILE   3           HA       ILE   3  11.242  -0.620   4.735
   21    HB   ILE   3           HB       ILE   3   9.500  -0.172   7.170
   22   HG12  ILE   3          HG12      ILE   3  11.954  -0.014   7.550
   23   HG13  ILE   3          HG11      ILE   3  11.260  -1.439   8.325
   24   HG21  ILE   3          HG21      ILE   3   8.515  -2.112   6.575
   25   HG22  ILE   3          HG22      ILE   3  10.070  -2.897   6.852
   26   HG23  ILE   3          HG23      ILE   3   9.638  -2.341   5.235
   27   HD11  ILE   3          HD11      ILE   3  13.270  -1.286   6.227
   28   HD12  ILE   3          HD12      ILE   3  11.905  -2.290   5.736
   29   HD13  ILE   3          HD13      ILE   3  12.791  -2.667   7.215
   30    H    ASP   4           HN       ASP   4   8.915   1.917   5.048
   31    HA   ASP   4           HA       ASP   4   6.681   0.568   3.899
   32    HB2  ASP   4           HB2      ASP   4   6.631   2.724   5.242
   33    HB3  ASP   4           HB1      ASP   4   7.226   3.537   3.794
   34    H    DBU   5           HN       DHB   5   6.973  -0.401   1.951
   35    HB   DBU   5           HB       DHB   5   7.369   0.953  -1.909
   36    HG1  DBU   5           HG1      DHB   5   5.140   1.992  -1.146
   37    HG2  DBU   5           HG2      DHB   5   5.911   2.375   0.392
   38    HG3  DBU   5           HG3      DHB   5   6.461   3.161  -1.087
   39    H    CYS   6           HN       CYS   6  10.076   0.321   0.633
   40    HA   CYS   6           HA       CYS   6  10.835  -1.849  -1.086
   41    HB2  CYS   6           HB2      CYS   6  12.222   0.209  -0.154
   42    HB3  CYS   6           HB1      CYS   6  12.592  -0.925   1.146
   43    HA   PRO   7           HA       PRO   7   9.549  -4.868   2.024
   44    HB2  PRO   7           HB2      PRO   7   9.988  -7.031   0.387
   45    HB3  PRO   7           HB1      PRO   7   8.508  -6.054   0.358
   46    HG2  PRO   7           HG2      PRO   7  10.875  -5.958  -1.447
   47    HG3  PRO   7           HG1      PRO   7   9.151  -5.822  -1.836
   48    HD2  PRO   7           HD2      PRO   7  10.774  -3.639  -1.683
   49    HD3  PRO   7           HD1      PRO   7   9.055  -3.577  -1.238
   50    H    ALA   8           HN       ALA   8  11.287  -4.645   3.465
   51    HA   ALA   8           HA       ALA   8  13.371  -5.022   4.396
   52    HB1  ALA   8           HB1      ALA   8  11.994  -7.369   4.084
   53    HB2  ALA   8           HB2      ALA   8  13.509  -7.205   4.973
   54    HB3  ALA   8           HB3      ALA   8  13.527  -7.745   3.294
   55    H    GLY   9           HN       GLY   9  13.251  -4.186   1.470
   56    HA2  GLY   9           HA2      GLY   9  15.681  -5.386   0.380
   57    HA3  GLY   9           HA1      GLY   9  14.640  -4.216  -0.426
   58    H    GLY  10           HN       GLY  10  17.644  -4.567   0.715
   59    HA2  GLY  10           HA2      GLY  10  18.127  -2.276   2.296
   60    HA3  GLY  10           HA1      GLY  10  19.332  -3.135   1.344
   61    H    GLY  11           HN       GLY  11  18.032  -2.782  -1.196
   62    HA2  GLY  11           HA2      GLY  11  18.861  -0.030  -1.723
   63    HA3  GLY  11           HA1      GLY  11  18.534  -1.273  -2.929
   64    H    DBB  12           HN       DBB  12  16.591   0.070  -0.255
   65    HA   DBB  12           HA       DBB  12  14.419   0.830  -0.208
   66    HB2  DBB  12           HB2      DBB  12  14.393  -0.576  -2.885
   67    HG1  DBB  12           HG1      DBB  12  11.810  -0.170  -2.503
   68    HG2  DBB  12           HG2      DBB  12  12.797   1.043  -3.321
   69    HG3  DBB  12           HG3      DBB  12  12.382   1.246  -1.619
   70    H    DAL  13           HN       DAL  13  16.136   1.398  -3.258
   71    HA   DAL  13           HA       DAL  13  16.501   3.331  -4.449
   72    HB1  DAL  13           HB2      DAL  13  16.097   4.205  -1.729
   73    HB2  DAL  13           HB3      DAL  13  17.109   4.915  -2.986
   74    H    GLU  14           HN       GLU  14  15.181   3.566  -6.206
   75    HA   GLU  14           HA       GLU  14  12.681   4.916  -6.050
   76    HB2  GLU  14           HB2      GLU  14  13.993   3.340  -8.272
   77    HB3  GLU  14           HB1      GLU  14  12.483   4.231  -8.467
   78    HG2  GLU  14           HG2      GLU  14  15.101   5.449  -7.539
   79    HG3  GLU  14           HG1      GLU  14  14.469   5.558  -9.180
   80    H    GLN  15           HN       GLN  15  13.599   1.647  -5.625
   81    HA   GLN  15           HA       GLN  15  11.360   0.241  -6.514
   82    HB2  GLN  15           HB2      GLN  15  13.448  -0.203  -4.439
   83    HB3  GLN  15           HB1      GLN  15  12.002  -1.209  -4.360
   84    HG2  GLN  15           HG2      GLN  15  12.320  -1.875  -6.706
   85    HG3  GLN  15           HG1      GLN  15  13.751  -0.850  -6.811
   86   HE21  GLN  15          HE21      GLN  15  15.719  -1.631  -5.863
   87   HE22  GLN  15          HE22      GLN  15  15.858  -3.186  -5.196
   88    H    DBB  16           HN       DBB  16  11.732   2.389  -3.826
   89    HA   DBB  16           HA       DBB  16   9.223   1.496  -2.599
   90    HB2  DBB  16           HB2      DBB  16   8.368   3.867  -2.635
   91    HG1  DBB  16           HG1      DBB  16   8.318   3.566  -5.416
   92    HG2  DBB  16           HG2      DBB  16   7.155   2.909  -4.266
   93    HG3  DBB  16           HG3      DBB  16   8.521   1.929  -4.794
   94    H    GLY  17           HN       GLY  17   9.127   1.868  -0.434
   95    HA2  GLY  17           HA2      GLY  17  10.042   3.750   1.202
   96    HA3  GLY  17           HA1      GLY  17  10.212   2.051   1.639
   97    H    DBU  18           HN       DHB  18  11.976   4.218   2.401
   98    HB   DBU  18           HB       DHB  18  15.964   3.367   2.176
   99    HG1  DBU  18           HG1      DHB  18  15.093   1.533   3.692
  100    HG2  DBU  18           HG2      DHB  18  13.616   1.460   2.730
  101    HG3  DBU  18           HG3      DHB  18  15.150   0.939   2.032
  102    H    CYS  19           HN       CYS  19  13.455   4.958  -0.448
  103    HA   CYS  19           HA       CYS  19  14.450   7.628   0.301
  104    HB2  CYS  19           HB2      CYS  19  15.743   7.830  -1.707
  105    HB3  CYS  19           HB1      CYS  19  16.220   6.317  -0.938
  106    H    CYS  20           HN       CYS  20  12.397   5.616  -1.681
  107    HA   CYS  20           HA       CYS  20  11.301   7.129  -3.584
  108    HB2  CYS  20           HB2      CYS  20  10.101   5.276  -1.604
  109    HB3  CYS  20           HB1      CYS  20   8.978   6.301  -2.499
  Start of MODEL   13
    1    H1   GLY   1           HT1      GLY   1  18.094   2.332  10.845
    2    H2   GLY   1           HT2      GLY   1  16.747   2.014  11.831
    3    H3   GLY   1           HT3      GLY   1  16.631   3.142  10.565
    4    HA2  GLY   1           HA2      GLY   1  17.333   0.334  10.003
    5    HA3  GLY   1           HA1      GLY   1  15.648   0.816  10.206
    6    H    ARG   2           HN       ARG   2  18.435   0.940   8.162
    7    HA   ARG   2           HA       ARG   2  17.613   2.964   6.359
    8    HB2  ARG   2           HB2      ARG   2  19.427   0.569   6.028
    9    HB3  ARG   2           HB1      ARG   2  19.177   1.773   4.763
   10    HG2  ARG   2           HG2      ARG   2  19.969   3.547   6.255
   11    HG3  ARG   2           HG1      ARG   2  20.159   2.383   7.567
   12    HD2  ARG   2           HD2      ARG   2  22.326   2.768   6.522
   13    HD3  ARG   2           HD1      ARG   2  21.795   1.126   6.172
   14    HE   ARG   2           HE       ARG   2  21.545   1.723   3.921
   15   HH11  ARG   2          HH11      ARG   2  22.153   4.464   5.945
   16   HH12  ARG   2          HH12      ARG   2  22.447   5.546   4.626
   17   HH21  ARG   2          HH21      ARG   2  21.931   3.137   2.185
   18   HH22  ARG   2          HH22      ARG   2  22.322   4.795   2.498
   19    H    ILE   3           HN       ILE   3  16.972  -0.503   6.532
   20    HA   ILE   3           HA       ILE   3  15.457  -0.449   4.039
   21    HB   ILE   3           HB       ILE   3  15.820  -2.727   5.996
   22   HG12  ILE   3          HG12      ILE   3  17.331  -2.589   3.435
   23   HG13  ILE   3          HG11      ILE   3  17.872  -1.516   4.726
   24   HG21  ILE   3          HG21      ILE   3  14.531  -3.906   4.575
   25   HG22  ILE   3          HG22      ILE   3  15.520  -3.406   3.202
   26   HG23  ILE   3          HG23      ILE   3  14.171  -2.400   3.729
   27   HD11  ILE   3          HD11      ILE   3  17.333  -4.059   5.895
   28   HD12  ILE   3          HD12      ILE   3  18.892  -3.252   5.728
   29   HD13  ILE   3          HD13      ILE   3  18.319  -4.333   4.458
   30    H    ASP   4           HN       ASP   4  14.732   0.857   6.783
   31    HA   ASP   4           HA       ASP   4  12.382  -0.404   7.725
   32    HB2  ASP   4           HB2      ASP   4  13.547   2.346   7.948
   33    HB3  ASP   4           HB1      ASP   4  11.887   2.070   8.474
   34    H    DBU   5           HN       DHB   5  12.968   1.979   5.177
   35    HB   DBU   5           HB       DHB   5   9.971   3.608   3.193
   36    HG1  DBU   5           HG1      DHB   5  10.207   5.036   5.337
   37    HG2  DBU   5           HG2      DHB   5  11.843   4.395   5.498
   38    HG3  DBU   5           HG3      DHB   5  11.429   5.426   4.128
   39    H    CYS   6           HN       CYS   6  12.571   0.593   2.886
   40    HA   CYS   6           HA       CYS   6  10.408  -0.632   1.387
   41    HB2  CYS   6           HB2      CYS   6  13.407  -0.912   1.370
   42    HB3  CYS   6           HB1      CYS   6  12.373  -2.010   0.456
   43    HA   PRO   7           HA       PRO   7   9.891  -4.037   4.136
   44    HB2  PRO   7           HB2      PRO   7   8.658  -5.780   2.438
   45    HB3  PRO   7           HB1      PRO   7   7.854  -4.345   3.103
   46    HG2  PRO   7           HG2      PRO   7   9.023  -4.784   0.408
   47    HG3  PRO   7           HG1      PRO   7   7.575  -3.877   0.881
   48    HD2  PRO   7           HD2      PRO   7  10.018  -2.710   0.275
   49    HD3  PRO   7           HD1      PRO   7   8.770  -1.947   1.284
   50    H    ALA   8           HN       ALA   8  12.517  -3.910   3.276
   51    HA   ALA   8           HA       ALA   8  14.300  -5.421   3.452
   52    HB1  ALA   8           HB1      ALA   8  12.897  -7.743   2.316
   53    HB2  ALA   8           HB2      ALA   8  12.199  -7.140   3.819
   54    HB3  ALA   8           HB3      ALA   8  13.894  -7.624   3.766
   55    H    GLY   9           HN       GLY   9  13.443  -3.785   1.206
   56    HA2  GLY   9           HA2      GLY   9  14.046  -5.340  -1.183
   57    HA3  GLY   9           HA1      GLY   9  13.644  -3.627  -1.122
   58    H    GLY  10           HN       GLY  10  15.930  -4.294   1.212
   59    HA2  GLY  10           HA2      GLY  10  18.238  -4.101   1.330
   60    HA3  GLY  10           HA1      GLY  10  18.301  -4.221  -0.425
   61    H    GLY  11           HN       GLY  11  18.483  -2.392  -1.633
   62    HA2  GLY  11           HA2      GLY  11  19.414  -0.013  -0.472
   63    HA3  GLY  11           HA1      GLY  11  18.863  -0.179  -2.136
   64    H    DBB  12           HN       DBB  12  16.194  -0.896  -1.679
   65    HA   DBB  12           HA       DBB  12  14.849   0.822   0.132
   66    HB2  DBB  12           HB2      DBB  12  13.991  -1.294  -1.163
   67    HG1  DBB  12           HG1      DBB  12  14.435   0.330  -3.314
   68    HG2  DBB  12           HG2      DBB  12  12.716   0.602  -3.030
   69    HG3  DBB  12           HG3      DBB  12  13.316  -1.032  -3.312
   70    H    DAL  13           HN       DAL  13  16.494   1.467  -2.744
   71    HA   DAL  13           HA       DAL  13  16.622   3.300  -4.128
   72    HB1  DAL  13           HB2      DAL  13  16.009   4.318  -1.425
   73    HB2  DAL  13           HB3      DAL  13  17.304   4.766  -2.536
   74    H    GLU  14           HN       GLU  14  15.325   4.873  -5.379
   75    HA   GLU  14           HA       GLU  14  12.623   5.368  -5.144
   76    HB2  GLU  14           HB2      GLU  14  14.119   6.397  -6.843
   77    HB3  GLU  14           HB1      GLU  14  14.104   4.877  -7.738
   78    HG2  GLU  14           HG2      GLU  14  12.429   6.288  -8.730
   79    HG3  GLU  14           HG1      GLU  14  11.578   5.054  -7.802
   80    H    GLN  15           HN       GLN  15  14.101   2.370  -5.590
   81    HA   GLN  15           HA       GLN  15  12.187   1.035  -7.201
   82    HB2  GLN  15           HB2      GLN  15  14.143   0.047  -5.120
   83    HB3  GLN  15           HB1      GLN  15  13.121  -1.034  -6.066
   84    HG2  GLN  15           HG2      GLN  15  14.068  -0.133  -8.148
   85    HG3  GLN  15           HG1      GLN  15  15.072   0.980  -7.218
   86   HE21  GLN  15          HE21      GLN  15  15.301  -1.875  -8.852
   87   HE22  GLN  15          HE22      GLN  15  16.531  -2.625  -7.955
   88    H    DBB  16           HN       DBB  16  11.888   2.395  -4.158
   89    HA   DBB  16           HA       DBB  16   9.954   0.446  -3.155
   90    HB2  DBB  16           HB2      DBB  16   8.059   1.759  -3.347
   91    HG1  DBB  16           HG1      DBB  16   7.903   2.424  -5.589
   92    HG2  DBB  16           HG2      DBB  16   9.238   1.271  -5.611
   93    HG3  DBB  16           HG3      DBB  16   9.569   3.003  -5.633
   94    H    GLY  17           HN       GLY  17   8.783   1.817  -1.172
   95    HA2  GLY  17           HA2      GLY  17   9.240   3.307   0.673
   96    HA3  GLY  17           HA1      GLY  17  10.001   1.771   1.071
   97    H    DBU  18           HN       DHB  18  11.933   2.158   1.977
   98    HB   DBU  18           HB       DHB  18  15.581   3.391   1.943
   99    HG1  DBU  18           HG1      DHB  18  14.651   1.283   3.390
  100    HG2  DBU  18           HG2      DHB  18  14.032   0.780   1.817
  101    HG3  DBU  18           HG3      DHB  18  15.767   0.989   2.057
  102    H    CYS  19           HN       CYS  19  14.051   4.394  -0.771
  103    HA   CYS  19           HA       CYS  19  13.671   7.186   0.131
  104    HB2  CYS  19           HB2      CYS  19  15.337   7.869  -1.395
  105    HB3  CYS  19           HB1      CYS  19  15.986   6.398  -0.670
  106    H    CYS  20           HN       CYS  20  12.363   4.760  -1.809
  107    HA   CYS  20           HA       CYS  20  11.429   6.309  -4.010
  108    HB2  CYS  20           HB2      CYS  20  10.703   4.315  -4.739
  109    HB3  CYS  20           HB1      CYS  20  11.378   3.614  -3.269
  Start of MODEL   14
    1    H1   GLY   1           HT1      GLY   1  15.476   0.030  11.047
    2    H2   GLY   1           HT2      GLY   1  16.413  -1.223  10.384
    3    H3   GLY   1           HT3      GLY   1  15.233  -1.570  11.556
    4    HA2  GLY   1           HA2      GLY   1  14.305  -2.209   9.499
    5    HA3  GLY   1           HA1      GLY   1  13.528  -0.695   9.963
    6    H    ARG   2           HN       ARG   2  16.366  -1.904   8.173
    7    HA   ARG   2           HA       ARG   2  16.896   0.445   6.726
    8    HB2  ARG   2           HB2      ARG   2  17.431  -2.462   6.106
    9    HB3  ARG   2           HB1      ARG   2  18.008  -1.143   5.087
   10    HG2  ARG   2           HG2      ARG   2  19.244  -0.186   6.959
   11    HG3  ARG   2           HG1      ARG   2  18.600  -1.414   8.050
   12    HD2  ARG   2           HD2      ARG   2  20.848  -2.060   7.362
   13    HD3  ARG   2           HD1      ARG   2  19.681  -3.170   6.648
   14    HE   ARG   2           HE       ARG   2  20.181  -2.282   4.535
   15   HH11  ARG   2          HH11      ARG   2  21.655  -0.494   7.104
   16   HH12  ARG   2          HH12      ARG   2  22.699   0.413   6.060
   17   HH21  ARG   2          HH21      ARG   2  21.546  -1.097   3.159
   18   HH22  ARG   2          HH22      ARG   2  22.636   0.073   3.826
   19    H    ILE   3           HN       ILE   3  14.677  -2.221   6.121
   20    HA   ILE   3           HA       ILE   3  13.994  -1.664   3.458
   21    HB   ILE   3           HB       ILE   3  12.051  -2.995   3.824
   22   HG12  ILE   3          HG12      ILE   3  11.322  -1.654   5.857
   23   HG13  ILE   3          HG11      ILE   3  11.073  -3.389   5.985
   24   HG21  ILE   3          HG21      ILE   3  12.980  -4.939   4.924
   25   HG22  ILE   3          HG22      ILE   3  14.111  -3.940   5.836
   26   HG23  ILE   3          HG23      ILE   3  14.298  -4.114   4.091
   27   HD11  ILE   3          HD11      ILE   3  13.306  -1.761   7.218
   28   HD12  ILE   3          HD12      ILE   3  13.328  -3.521   7.146
   29   HD13  ILE   3          HD13      ILE   3  12.067  -2.693   8.055
   30    H    ASP   4           HN       ASP   4  12.761  -0.324   6.501
   31    HA   ASP   4           HA       ASP   4  10.997   1.214   6.793
   32    HB2  ASP   4           HB2      ASP   4  13.235   2.536   5.263
   33    HB3  ASP   4           HB1      ASP   4  11.873   3.448   5.909
   34    H    DBU   5           HN       DHB   5   9.829  -0.310   5.019
   35    HB   DBU   5           HB       DHB   5   7.022   1.026   2.460
   36    HG1  DBU   5           HG1      DHB   5   7.053   1.066   5.436
   37    HG2  DBU   5           HG2      DHB   5   7.317   2.669   4.749
   38    HG3  DBU   5           HG3      DHB   5   5.846   1.777   4.365
   39    H    CYS   6           HN       CYS   6  10.840  -1.034   3.252
   40    HA   CYS   6           HA       CYS   6  10.519  -1.579   0.387
   41    HB2  CYS   6           HB2      CYS   6  12.103   0.209   0.325
   42    HB3  CYS   6           HB1      CYS   6  13.014  -0.464   1.677
   43    HA   PRO   7           HA       PRO   7  11.608  -5.232   3.100
   44    HB2  PRO   7           HB2      PRO   7   9.473  -6.770   2.317
   45    HB3  PRO   7           HB1      PRO   7   9.434  -5.662   3.702
   46    HG2  PRO   7           HG2      PRO   7   8.365  -5.292   0.952
   47    HG3  PRO   7           HG1      PRO   7   7.687  -4.785   2.508
   48    HD2  PRO   7           HD2      PRO   7   8.991  -3.069   0.815
   49    HD3  PRO   7           HD1      PRO   7   8.949  -2.852   2.579
   50    H    ALA   8           HN       ALA   8  12.153  -4.339   0.179
   51    HA   ALA   8           HA       ALA   8  12.478  -7.034  -0.994
   52    HB1  ALA   8           HB1      ALA   8  11.241  -5.859  -2.568
   53    HB2  ALA   8           HB2      ALA   8  12.887  -5.551  -3.123
   54    HB3  ALA   8           HB3      ALA   8  12.026  -4.325  -2.192
   55    H    GLY   9           HN       GLY   9  14.096  -4.109  -0.001
   56    HA2  GLY   9           HA2      GLY   9  16.655  -5.416  -0.009
   57    HA3  GLY   9           HA1      GLY   9  16.519  -4.194  -1.273
   58    H    GLY  10           HN       GLY  10  18.310  -4.121   0.974
   59    HA2  GLY  10           HA2      GLY  10  17.380  -2.447   3.059
   60    HA3  GLY  10           HA1      GLY  10  19.063  -2.675   2.603
   61    H    GLY  11           HN       GLY  11  18.705  -1.788  -0.136
   62    HA2  GLY  11           HA2      GLY  11  19.223   0.967   0.173
   63    HA3  GLY  11           HA1      GLY  11  18.884   0.155  -1.356
   64    H    DBB  12           HN       DBB  12  16.288  -0.795  -0.724
   65    HA   DBB  12           HA       DBB  12  14.379   0.790   0.314
   66    HB2  DBB  12           HB2      DBB  12  14.417  -0.710  -2.303
   67    HG1  DBB  12           HG1      DBB  12  12.854   0.876  -2.911
   68    HG2  DBB  12           HG2      DBB  12  12.370   1.200  -1.247
   69    HG3  DBB  12           HG3      DBB  12  11.818  -0.268  -2.054
   70    H    DAL  13           HN       DAL  13  16.445   1.599  -2.359
   71    HA   DAL  13           HA       DAL  13  16.665   3.492  -3.631
   72    HB1  DAL  13           HB2      DAL  13  15.447   4.575  -1.102
   73    HB2  DAL  13           HB3      DAL  13  17.106   4.692  -1.675
   74    H    GLU  14           HN       GLU  14  15.459   3.737  -5.508
   75    HA   GLU  14           HA       GLU  14  12.839   4.863  -5.466
   76    HB2  GLU  14           HB2      GLU  14  12.907   4.545  -7.887
   77    HB3  GLU  14           HB1      GLU  14  14.435   5.218  -7.322
   78    HG2  GLU  14           HG2      GLU  14  15.385   2.906  -7.275
   79    HG3  GLU  14           HG1      GLU  14  13.879   2.310  -7.969
   80    H    GLN  15           HN       GLN  15  14.001   1.724  -4.991
   81    HA   GLN  15           HA       GLN  15  12.010   0.155  -6.230
   82    HB2  GLN  15           HB2      GLN  15  13.989  -0.237  -4.039
   83    HB3  GLN  15           HB1      GLN  15  12.648  -1.383  -4.131
   84    HG2  GLN  15           HG2      GLN  15  14.499  -0.675  -6.427
   85    HG3  GLN  15           HG1      GLN  15  14.605  -2.142  -5.455
   86   HE21  GLN  15          HE21      GLN  15  13.573  -1.220  -8.408
   87   HE22  GLN  15          HE22      GLN  15  12.238  -2.249  -8.605
   88    H    DBB  16           HN       DBB  16  11.752   2.397  -3.740
   89    HA   DBB  16           HA       DBB  16   9.422   1.055  -2.532
   90    HB2  DBB  16           HB2      DBB  16   8.361   3.469  -2.662
   91    HG1  DBB  16           HG1      DBB  16   6.971   2.543  -4.209
   92    HG2  DBB  16           HG2      DBB  16   7.939   1.098  -3.915
   93    HG3  DBB  16           HG3      DBB  16   8.293   2.130  -5.301
   94    H    GLY  17           HN       GLY  17   8.947   1.702  -0.424
   95    HA2  GLY  17           HA2      GLY  17   9.585   3.747   1.131
   96    HA3  GLY  17           HA1      GLY  17   9.832   2.108   1.719
   97    H    DBU  18           HN       DHB  18  11.331   4.762   2.053
   98    HB   DBU  18           HB       DHB  18  15.393   4.156   2.376
   99    HG1  DBU  18           HG1      DHB  18  14.757   1.650   2.423
  100    HG2  DBU  18           HG2      DHB  18  14.615   2.408   4.009
  101    HG3  DBU  18           HG3      DHB  18  13.172   2.134   3.031
  102    H    CYS  19           HN       CYS  19  13.480   5.059  -0.664
  103    HA   CYS  19           HA       CYS  19  13.663   7.956  -0.224
  104    HB2  CYS  19           HB2      CYS  19  15.640   8.229  -1.435
  105    HB3  CYS  19           HB1      CYS  19  15.983   6.806  -0.472
  106    H    CYS  20           HN       CYS  20  12.023   5.566  -1.613
  107    HA   CYS  20           HA       CYS  20  11.754   5.849  -4.289
  108    HB2  CYS  20           HB2      CYS  20  10.084   4.962  -2.187
  109    HB3  CYS  20           HB1      CYS  20   9.109   6.047  -3.179
  Start of MODEL   15
    1    H1   GLY   1           HT1      GLY   1  15.042   1.155  10.391
    2    H2   GLY   1           HT2      GLY   1  14.491  -0.211   9.545
    3    H3   GLY   1           HT3      GLY   1  14.253  -0.093  11.224
    4    HA2  GLY   1           HA2      GLY   1  12.182   0.473  10.445
    5    HA3  GLY   1           HA1      GLY   1  12.955   2.047  10.639
    6    H    ARG   2           HN       ARG   2  14.791   1.455   8.357
    7    HA   ARG   2           HA       ARG   2  13.278   2.667   6.293
    8    HB2  ARG   2           HB2      ARG   2  15.952   1.257   6.260
    9    HB3  ARG   2           HB1      ARG   2  15.279   2.109   4.870
   10    HG2  ARG   2           HG2      ARG   2  15.158   4.186   6.193
   11    HG3  ARG   2           HG1      ARG   2  15.824   3.339   7.588
   12    HD2  ARG   2           HD2      ARG   2  17.241   3.537   4.921
   13    HD3  ARG   2           HD1      ARG   2  17.521   4.653   6.255
   14    HE   ARG   2           HE       ARG   2  18.022   2.396   7.510
   15   HH11  ARG   2          HH11      ARG   2  18.762   3.275   4.245
   16   HH12  ARG   2          HH12      ARG   2  20.173   2.275   4.150
   17   HH21  ARG   2          HH21      ARG   2  19.871   1.081   7.391
   18   HH22  ARG   2          HH22      ARG   2  20.802   1.033   5.932
   19    H    ILE   3           HN       ILE   3  14.231  -0.679   6.926
   20    HA   ILE   3           HA       ILE   3  13.413  -1.823   4.499
   21    HB   ILE   3           HB       ILE   3  13.391  -3.010   7.284
   22   HG12  ILE   3          HG12      ILE   3  15.594  -2.159   6.489
   23   HG13  ILE   3          HG11      ILE   3  15.576  -3.916   6.636
   24   HG21  ILE   3          HG21      ILE   3  12.137  -4.557   6.105
   25   HG22  ILE   3          HG22      ILE   3  13.759  -5.120   5.700
   26   HG23  ILE   3          HG23      ILE   3  12.861  -4.120   4.557
   27   HD11  ILE   3          HD11      ILE   3  16.418  -3.835   4.516
   28   HD12  ILE   3          HD12      ILE   3  15.764  -2.227   4.209
   29   HD13  ILE   3          HD13      ILE   3  14.722  -3.642   4.073
   30    H    ASP   4           HN       ASP   4  11.560  -0.151   6.685
   31    HA   ASP   4           HA       ASP   4   9.179  -1.677   6.805
   32    HB2  ASP   4           HB2      ASP   4   9.868   1.211   7.188
   33    HB3  ASP   4           HB1      ASP   4   8.173   0.738   7.085
   34    H    DBU   5           HN       DHB   5  10.386   0.710   4.475
   35    HB   DBU   5           HB       DHB   5   8.003   1.730   1.443
   36    HG1  DBU   5           HG1      DHB   5   8.318   3.747   2.964
   37    HG2  DBU   5           HG2      DHB   5   6.825   2.903   3.381
   38    HG3  DBU   5           HG3      DHB   5   8.274   2.669   4.359
   39    H    CYS   6           HN       CYS   6  11.352  -0.187   2.244
   40    HA   CYS   6           HA       CYS   6  10.390  -2.072   0.198
   41    HB2  CYS   6           HB2      CYS   6  13.289  -1.488   0.539
   42    HB3  CYS   6           HB1      CYS   6  12.354  -1.729  -0.937
   43    HA   PRO   7           HA       PRO   7  11.513  -4.961   3.563
   44    HB2  PRO   7           HB2      PRO   7   9.786  -6.922   2.759
   45    HB3  PRO   7           HB1      PRO   7   9.300  -5.554   3.779
   46    HG2  PRO   7           HG2      PRO   7   8.912  -5.968   0.860
   47    HG3  PRO   7           HG1      PRO   7   7.818  -5.254   2.055
   48    HD2  PRO   7           HD2      PRO   7   9.335  -3.758   0.315
   49    HD3  PRO   7           HD1      PRO   7   8.815  -3.168   1.909
   50    H    ALA   8           HN       ALA   8  13.287  -6.198   3.355
   51    HA   ALA   8           HA       ALA   8  14.715  -7.827   2.546
   52    HB1  ALA   8           HB1      ALA   8  13.931  -9.435   1.112
   53    HB2  ALA   8           HB2      ALA   8  13.139  -8.261   0.061
   54    HB3  ALA   8           HB3      ALA   8  12.387  -8.725   1.586
   55    H    GLY   9           HN       GLY   9  13.540  -5.178   0.698
   56    HA2  GLY   9           HA2      GLY   9  15.318  -5.244  -1.499
   57    HA3  GLY   9           HA1      GLY   9  14.517  -3.806  -0.871
   58    H    GLY  10           HN       GLY  10  15.612  -3.926   1.768
   59    HA2  GLY  10           HA2      GLY  10  17.514  -3.417   2.986
   60    HA3  GLY  10           HA1      GLY  10  18.484  -3.976   1.626
   61    H    GLY  11           HN       GLY  11  17.279  -2.245  -0.334
   62    HA2  GLY  11           HA2      GLY  11  18.717   0.215   0.326
   63    HA3  GLY  11           HA1      GLY  11  18.125  -0.254  -1.266
   64    H    DBB  12           HN       DBB  12  16.028   0.253  -1.874
   65    HA   DBB  12           HA       DBB  12  14.418   1.800   0.059
   66    HB2  DBB  12           HB2      DBB  12  13.743  -0.258  -1.809
   67    HG1  DBB  12           HG1      DBB  12  12.327   2.362  -2.350
   68    HG2  DBB  12           HG2      DBB  12  12.065   0.818  -3.158
   69    HG3  DBB  12           HG3      DBB  12  13.578   1.692  -3.397
   70    H    DAL  13           HN       DAL  13  15.757   1.825  -3.210
   71    HA   DAL  13           HA       DAL  13  16.464   3.672  -4.440
   72    HB1  DAL  13           HB2      DAL  13  16.237   4.813  -2.001
   73    HB2  DAL  13           HB3      DAL  13  16.586   5.729  -3.468
   74    H    GLU  14           HN       GLU  14  15.451   4.157  -6.363
   75    HA   GLU  14           HA       GLU  14  12.923   5.317  -6.654
   76    HB2  GLU  14           HB2      GLU  14  13.090   4.734  -8.997
   77    HB3  GLU  14           HB1      GLU  14  14.686   5.216  -8.423
   78    HG2  GLU  14           HG2      GLU  14  15.272   2.828  -8.095
   79    HG3  GLU  14           HG1      GLU  14  13.693   2.367  -8.728
   80    H    GLN  15           HN       GLN  15  13.733   2.175  -5.707
   81    HA   GLN  15           HA       GLN  15  11.635   0.668  -6.861
   82    HB2  GLN  15           HB2      GLN  15  13.533   0.334  -4.604
   83    HB3  GLN  15           HB1      GLN  15  12.063  -0.639  -4.544
   84    HG2  GLN  15           HG2      GLN  15  12.515  -1.507  -6.790
   85    HG3  GLN  15           HG1      GLN  15  13.950  -0.492  -6.913
   86   HE21  GLN  15          HE21      GLN  15  15.698  -1.923  -6.767
   87   HE22  GLN  15          HE22      GLN  15  15.875  -3.101  -5.557
   88    H    DBB  16           HN       DBB  16  11.785   2.810  -4.104
   89    HA   DBB  16           HA       DBB  16   9.080   2.043  -3.258
   90    HB2  DBB  16           HB2      DBB  16   8.258   4.337  -3.399
   91    HG1  DBB  16           HG1      DBB  16   7.903   4.366  -5.711
   92    HG2  DBB  16           HG2      DBB  16   8.323   2.680  -5.410
   93    HG3  DBB  16           HG3      DBB  16   9.530   3.785  -6.067
   94    H    GLY  17           HN       GLY  17   9.283   1.685  -1.146
   95    HA2  GLY  17           HA2      GLY  17   9.675   3.482   0.832
   96    HA3  GLY  17           HA1      GLY  17  10.154   1.797   1.007
   97    H    DBU  18           HN       DHB  18  11.565   3.628   2.420
   98    HB   DBU  18           HB       DHB  18  15.579   3.690   2.363
   99    HG1  DBU  18           HG1      DHB  18  15.544   1.402   2.893
  100    HG2  DBU  18           HG2      DHB  18  13.911   1.631   3.516
  101    HG3  DBU  18           HG3      DHB  18  14.155   1.187   1.827
  102    H    CYS  19           HN       CYS  19  13.588   4.983  -0.460
  103    HA   CYS  19           HA       CYS  19  14.228   7.690   0.519
  104    HB2  CYS  19           HB2      CYS  19  14.956   8.122  -1.811
  105    HB3  CYS  19           HB1      CYS  19  15.833   6.780  -1.077
  106    H    CYS  20           HN       CYS  20  12.217   6.136  -1.999
  107    HA   CYS  20           HA       CYS  20  10.752   8.036  -3.078
  108    HB2  CYS  20           HB2      CYS  20   9.650   5.591  -1.686
  109    HB3  CYS  20           HB1      CYS  20   8.667   6.638  -2.711
  Start of MODEL   16
    1    H1   GLY   1           HT1      GLY   1  15.347   4.914   7.135
    2    H2   GLY   1           HT2      GLY   1  13.671   4.787   6.892
    3    H3   GLY   1           HT3      GLY   1  14.503   6.177   6.383
    4    HA2  GLY   1           HA2      GLY   1  13.862   4.407   4.644
    5    HA3  GLY   1           HA1      GLY   1  15.467   5.138   4.586
    6    H    ARG   2           HN       ARG   2  16.892   3.597   4.060
    7    HA   ARG   2           HA       ARG   2  18.054   1.618   4.056
    8    HB2  ARG   2           HB2      ARG   2  18.322   2.342   6.467
    9    HB3  ARG   2           HB1      ARG   2  16.984   1.259   6.857
   10    HG2  ARG   2           HG2      ARG   2  18.282  -0.581   6.677
   11    HG3  ARG   2           HG1      ARG   2  19.014  -0.018   5.175
   12    HD2  ARG   2           HD2      ARG   2  20.743  -0.167   6.876
   13    HD3  ARG   2           HD1      ARG   2  20.449   1.529   6.511
   14    HE   ARG   2           HE       ARG   2  18.847   0.623   8.711
   15   HH11  ARG   2          HH11      ARG   2  22.006   1.648   7.733
   16   HH12  ARG   2          HH12      ARG   2  22.449   2.240   9.300
   17   HH21  ARG   2          HH21      ARG   2  19.422   1.397  10.767
   18   HH22  ARG   2          HH22      ARG   2  20.986   2.098  11.016
   19    H    ILE   3           HN       ILE   3  15.510   0.543   6.269
   20    HA   ILE   3           HA       ILE   3  14.595  -1.355   4.182
   21    HB   ILE   3           HB       ILE   3  14.854  -1.825   7.161
   22   HG12  ILE   3          HG12      ILE   3  16.199  -3.597   5.229
   23   HG13  ILE   3          HG11      ILE   3  16.809  -1.942   5.216
   24   HG21  ILE   3          HG21      ILE   3  14.386  -4.224   5.776
   25   HG22  ILE   3          HG22      ILE   3  13.233  -3.073   5.101
   26   HG23  ILE   3          HG23      ILE   3  13.256  -3.384   6.837
   27   HD11  ILE   3          HD11      ILE   3  16.560  -3.743   7.643
   28   HD12  ILE   3          HD12      ILE   3  17.070  -2.055   7.692
   29   HD13  ILE   3          HD13      ILE   3  18.060  -3.251   6.856
   30    H    ASP   4           HN       ASP   4  13.706   1.364   5.578
   31    HA   ASP   4           HA       ASP   4  11.015   0.583   6.413
   32    HB2  ASP   4           HB2      ASP   4  12.417   2.322   7.639
   33    HB3  ASP   4           HB1      ASP   4  12.145   3.378   6.255
   34    H    DBU   5           HN       DHB   5   9.633   0.204   4.776
   35    HB   DBU   5           HB       DHB   5   7.960   2.441   1.764
   36    HG1  DBU   5           HG1      DHB   5   8.921   4.392   3.282
   37    HG2  DBU   5           HG2      DHB   5   7.252   3.919   3.599
   38    HG3  DBU   5           HG3      DHB   5   8.550   3.324   4.637
   39    H    CYS   6           HN       CYS   6  11.296   0.223   2.142
   40    HA   CYS   6           HA       CYS   6   9.845  -1.719   0.443
   41    HB2  CYS   6           HB2      CYS   6  12.253  -1.694  -0.707
   42    HB3  CYS   6           HB1      CYS   6  11.026  -0.508  -1.131
   43    HA   PRO   7           HA       PRO   7  12.073  -4.004   3.850
   44    HB2  PRO   7           HB2      PRO   7   9.723  -5.778   3.424
   45    HB3  PRO   7           HB1      PRO   7  10.403  -5.153   4.938
   46    HG2  PRO   7           HG2      PRO   7   8.117  -4.211   3.953
   47    HG3  PRO   7           HG1      PRO   7   9.282  -3.154   4.773
   48    HD2  PRO   7           HD2      PRO   7   8.742  -3.440   1.836
   49    HD3  PRO   7           HD1      PRO   7   9.125  -1.985   2.777
   50    H    ALA   8           HN       ALA   8  13.406  -5.756   3.577
   51    HA   ALA   8           HA       ALA   8  14.430  -7.565   2.571
   52    HB1  ALA   8           HB1      ALA   8  12.434  -7.940   0.438
   53    HB2  ALA   8           HB2      ALA   8  11.781  -8.030   2.074
   54    HB3  ALA   8           HB3      ALA   8  13.090  -9.105   1.588
   55    H    GLY   9           HN       GLY   9  13.553  -4.703   1.059
   56    HA2  GLY   9           HA2      GLY   9  14.907  -5.226  -1.467
   57    HA3  GLY   9           HA1      GLY   9  14.149  -3.712  -0.978
   58    H    GLY  10           HN       GLY  10  15.861  -4.480   1.642
   59    HA2  GLY  10           HA2      GLY  10  17.818  -3.697   2.569
   60    HA3  GLY  10           HA1      GLY  10  18.561  -4.104   1.028
   61    H    GLY  11           HN       GLY  11  18.501  -2.508  -0.691
   62    HA2  GLY  11           HA2      GLY  11  19.383   0.011   0.016
   63    HA3  GLY  11           HA1      GLY  11  18.664  -0.370  -1.549
   64    H    DBB  12           HN       DBB  12  16.441   0.012  -1.890
   65    HA   DBB  12           HA       DBB  12  15.046   1.533   0.215
   66    HB2  DBB  12           HB2      DBB  12  14.185  -0.616  -1.355
   67    HG1  DBB  12           HG1      DBB  12  13.902   0.814  -3.284
   68    HG2  DBB  12           HG2      DBB  12  13.033   2.010  -2.325
   69    HG3  DBB  12           HG3      DBB  12  12.304   0.435  -2.641
   70    H    DAL  13           HN       DAL  13  16.096   1.577  -3.131
   71    HA   DAL  13           HA       DAL  13  16.665   3.451  -4.375
   72    HB1  DAL  13           HB2      DAL  13  16.381   4.618  -1.978
   73    HB2  DAL  13           HB3      DAL  13  16.627   5.517  -3.469
   74    H    GLU  14           HN       GLU  14  15.571   4.329  -6.229
   75    HA   GLU  14           HA       GLU  14  12.943   5.066  -6.468
   76    HB2  GLU  14           HB2      GLU  14  14.680   3.656  -8.509
   77    HB3  GLU  14           HB1      GLU  14  13.180   4.504  -8.877
   78    HG2  GLU  14           HG2      GLU  14  15.608   5.765  -7.571
   79    HG3  GLU  14           HG1      GLU  14  15.176   5.930  -9.273
   80    H    GLN  15           HN       GLN  15  14.104   1.987  -5.713
   81    HA   GLN  15           HA       GLN  15  12.276   0.283  -6.994
   82    HB2  GLN  15           HB2      GLN  15  14.336   0.028  -5.083
   83    HB3  GLN  15           HB1      GLN  15  12.881  -0.624  -4.323
   84    HG2  GLN  15           HG2      GLN  15  13.978  -2.409  -5.552
   85    HG3  GLN  15           HG1      GLN  15  12.474  -1.994  -6.374
   86   HE21  GLN  15          HE21      GLN  15  12.938  -2.255  -8.578
   87   HE22  GLN  15          HE22      GLN  15  14.274  -1.565  -9.365
   88    H    DBB  16           HN       DBB  16  11.913   2.476  -4.338
   89    HA   DBB  16           HA       DBB  16   9.361   1.281  -3.521
   90    HB2  DBB  16           HB2      DBB  16   8.106   2.747  -4.694
   91    HG1  DBB  16           HG1      DBB  16   9.323   4.548  -6.073
   92    HG2  DBB  16           HG2      DBB  16   9.699   2.862  -6.432
   93    HG3  DBB  16           HG3      DBB  16  10.812   3.827  -5.464
   94    H    GLY  17           HN       GLY  17   9.152   1.398  -1.395
   95    HA2  GLY  17           HA2      GLY  17   9.458   3.497   0.312
   96    HA3  GLY  17           HA1      GLY  17   9.726   1.830   0.801
   97    H    DBU  18           HN       DHB  18  11.264   3.084   2.288
   98    HB   DBU  18           HB       DHB  18  15.229   2.922   2.563
   99    HG1  DBU  18           HG1      DHB  18  14.193   1.006   3.889
  100    HG2  DBU  18           HG2      DHB  18  12.956   0.849   2.643
  101    HG3  DBU  18           HG3      DHB  18  14.635   0.449   2.274
  102    H    CYS  19           HN       CYS  19  12.757   4.520  -0.345
  103    HA   CYS  19           HA       CYS  19  13.679   7.159   0.571
  104    HB2  CYS  19           HB2      CYS  19  15.035   7.514  -1.373
  105    HB3  CYS  19           HB1      CYS  19  15.537   5.976  -0.672
  106    H    CYS  20           HN       CYS  20  11.963   5.247  -1.870
  107    HA   CYS  20           HA       CYS  20  10.704   7.537  -3.077
  108    HB2  CYS  20           HB2      CYS  20  10.104   6.061  -4.659
  109    HB3  CYS  20           HB1      CYS  20  11.054   4.869  -3.792
  Start of MODEL   17
    1    H1   GLY   1           HT1      GLY   1  17.782   4.211   8.144
    2    H2   GLY   1           HT2      GLY   1  16.152   4.102   8.610
    3    H3   GLY   1           HT3      GLY   1  16.561   4.217   6.964
    4    HA2  GLY   1           HA2      GLY   1  17.747   1.992   8.407
    5    HA3  GLY   1           HA1      GLY   1  16.002   1.916   8.164
    6    H    ARG   2           HN       ARG   2  18.380   0.462   6.924
    7    HA   ARG   2           HA       ARG   2  18.621   1.225   4.212
    8    HB2  ARG   2           HB2      ARG   2  18.995  -1.446   5.581
    9    HB3  ARG   2           HB1      ARG   2  19.402  -1.145   3.892
   10    HG2  ARG   2           HG2      ARG   2  20.929   0.673   4.592
   11    HG3  ARG   2           HG1      ARG   2  20.545   0.334   6.280
   12    HD2  ARG   2           HD2      ARG   2  21.752  -1.668   4.350
   13    HD3  ARG   2           HD1      ARG   2  22.666  -0.753   5.547
   14    HE   ARG   2           HE       ARG   2  20.868  -2.988   6.071
   15   HH11  ARG   2          HH11      ARG   2  22.670  -0.289   7.271
   16   HH12  ARG   2          HH12      ARG   2  22.721  -0.870   8.902
   17   HH21  ARG   2          HH21      ARG   2  20.931  -3.759   8.207
   18   HH22  ARG   2          HH22      ARG   2  21.736  -2.835   9.431
   19    H    ILE   3           HN       ILE   3  16.354  -0.880   5.909
   20    HA   ILE   3           HA       ILE   3  14.910  -1.325   3.372
   21    HB   ILE   3           HB       ILE   3  14.082  -3.321   4.244
   22   HG12  ILE   3          HG12      ILE   3  13.237  -2.227   6.347
   23   HG13  ILE   3          HG11      ILE   3  13.927  -3.828   6.615
   24   HG21  ILE   3          HG21      ILE   3  16.830  -2.812   5.401
   25   HG22  ILE   3          HG22      ILE   3  16.419  -3.674   3.919
   26   HG23  ILE   3          HG23      ILE   3  16.049  -4.391   5.487
   27   HD11  ILE   3          HD11      ILE   3  15.102  -1.137   7.276
   28   HD12  ILE   3          HD12      ILE   3  16.150  -2.536   7.051
   29   HD13  ILE   3          HD13      ILE   3  14.923  -2.550   8.316
   30    H    ASP   4           HN       ASP   4  14.912   0.886   5.665
   31    HA   ASP   4           HA       ASP   4  12.450   1.010   6.903
   32    HB2  ASP   4           HB2      ASP   4  14.326   2.648   7.178
   33    HB3  ASP   4           HB1      ASP   4  13.865   3.365   5.634
   34    H    DBU   5           HN       DHB   5  10.483   0.729   6.048
   35    HB   DBU   5           HB       DHB   5   7.786   2.229   3.547
   36    HG1  DBU   5           HG1      DHB   5   8.829   4.115   5.311
   37    HG2  DBU   5           HG2      DHB   5   7.194   3.475   5.485
   38    HG3  DBU   5           HG3      DHB   5   8.519   2.771   6.412
   39    H    CYS   6           HN       CYS   6  11.736   0.850   3.068
   40    HA   CYS   6           HA       CYS   6  10.722  -0.248   0.678
   41    HB2  CYS   6           HB2      CYS   6  12.976   0.559   0.711
   42    HB3  CYS   6           HB1      CYS   6  13.408  -0.521   2.036
   43    HA   PRO   7           HA       PRO   7   9.463  -4.257   2.007
   44    HB2  PRO   7           HB2      PRO   7   9.559  -5.535  -0.417
   45    HB3  PRO   7           HB1      PRO   7   8.271  -4.407   0.048
   46    HG2  PRO   7           HG2      PRO   7  10.650  -3.957  -1.680
   47    HG3  PRO   7           HG1      PRO   7   8.994  -3.352  -1.853
   48    HD2  PRO   7           HD2      PRO   7  11.031  -1.813  -0.877
   49    HD3  PRO   7           HD1      PRO   7   9.332  -1.590  -0.405
   50    H    ALA   8           HN       ALA   8  11.594  -4.417   3.191
   51    HA   ALA   8           HA       ALA   8  13.352  -5.766   3.815
   52    HB1  ALA   8           HB1      ALA   8  13.521  -7.570   1.585
   53    HB2  ALA   8           HB2      ALA   8  11.832  -7.379   2.058
   54    HB3  ALA   8           HB3      ALA   8  13.026  -7.907   3.244
   55    H    GLY   9           HN       GLY   9  13.277  -5.370   0.268
   56    HA2  GLY   9           HA2      GLY   9  15.802  -5.505  -0.544
   57    HA3  GLY   9           HA1      GLY   9  14.794  -4.150  -1.041
   58    H    GLY  10           HN       GLY  10  17.732  -4.824   0.125
   59    HA2  GLY  10           HA2      GLY  10  18.104  -3.093   2.322
   60    HA3  GLY  10           HA1      GLY  10  19.367  -3.627   1.217
   61    H    GLY  11           HN       GLY  11  18.439  -2.561  -1.178
   62    HA2  GLY  11           HA2      GLY  11  19.351   0.118  -1.010
   63    HA3  GLY  11           HA1      GLY  11  18.614  -0.631  -2.423
   64    H    DBB  12           HN       DBB  12  16.114  -1.296  -1.368
   65    HA   DBB  12           HA       DBB  12  14.688   0.539   0.076
   66    HB2  DBB  12           HB2      DBB  12  13.983  -1.203  -2.262
   67    HG1  DBB  12           HG1      DBB  12  12.045   0.725  -0.962
   68    HG2  DBB  12           HG2      DBB  12  11.726  -0.377  -2.302
   69    HG3  DBB  12           HG3      DBB  12  12.794   1.006  -2.534
   70    H    DAL  13           HN       DAL  13  16.244   1.035  -2.937
   71    HA   DAL  13           HA       DAL  13  16.364   2.831  -4.363
   72    HB1  DAL  13           HB2      DAL  13  15.766   4.008  -1.695
   73    HB2  DAL  13           HB3      DAL  13  17.148   4.265  -2.756
   74    H    GLU  14           HN       GLU  14  15.057   4.121  -5.794
   75    HA   GLU  14           HA       GLU  14  12.458   4.945  -5.489
   76    HB2  GLU  14           HB2      GLU  14  13.790   3.828  -7.967
   77    HB3  GLU  14           HB1      GLU  14  12.253   4.693  -7.969
   78    HG2  GLU  14           HG2      GLU  14  14.860   5.815  -6.902
   79    HG3  GLU  14           HG1      GLU  14  14.185   6.181  -8.489
   80    H    GLN  15           HN       GLN  15  13.592   1.743  -5.492
   81    HA   GLN  15           HA       GLN  15  11.471   0.309  -6.620
   82    HB2  GLN  15           HB2      GLN  15  13.332  -0.361  -4.333
   83    HB3  GLN  15           HB1      GLN  15  12.183  -1.513  -5.016
   84    HG2  GLN  15           HG2      GLN  15  13.210  -1.225  -7.241
   85    HG3  GLN  15           HG1      GLN  15  14.359  -0.074  -6.562
   86   HE21  GLN  15          HE21      GLN  15  16.338  -1.171  -6.515
   87   HE22  GLN  15          HE22      GLN  15  16.561  -2.724  -5.867
   88    H    DBB  16           HN       DBB  16  11.753   1.949  -3.547
   89    HA   DBB  16           HA       DBB  16   9.472   0.699  -2.329
   90    HB2  DBB  16           HB2      DBB  16   8.159   2.952  -2.382
   91    HG1  DBB  16           HG1      DBB  16   6.803   1.964  -3.932
   92    HG2  DBB  16           HG2      DBB  16   7.900   0.605  -3.683
   93    HG3  DBB  16           HG3      DBB  16   8.124   1.679  -5.065
   94    H    GLY  17           HN       GLY  17   8.662   2.319  -0.484
   95    HA2  GLY  17           HA2      GLY  17   9.362   4.031   1.086
   96    HA3  GLY  17           HA1      GLY  17  10.039   2.504   1.644
   97    H    DBU  18           HN       DHB  18  12.139   2.594   2.144
   98    HB   DBU  18           HB       DHB  18  15.833   3.536   1.692
   99    HG1  DBU  18           HG1      DHB  18  15.499   1.009   1.701
  100    HG2  DBU  18           HG2      DHB  18  15.358   1.648   3.338
  101    HG3  DBU  18           HG3      DHB  18  13.906   1.252   2.419
  102    H    CYS  19           HN       CYS  19  14.021   4.414  -0.965
  103    HA   CYS  19           HA       CYS  19  14.023   7.304  -0.329
  104    HB2  CYS  19           HB2      CYS  19  15.585   7.667  -2.070
  105    HB3  CYS  19           HB1      CYS  19  16.184   6.253  -1.209
  106    H    CYS  20           HN       CYS  20  12.204   4.921  -1.819
  107    HA   CYS  20           HA       CYS  20  11.301   5.637  -4.215
  108    HB2  CYS  20           HB2      CYS  20  10.112   4.411  -1.950
  109    HB3  CYS  20           HB1      CYS  20   8.943   5.564  -2.591
  Start of MODEL   18
    1    H1   GLY   1           HT1      GLY   1   8.860   3.006   9.670
    2    H2   GLY   1           HT2      GLY   1   7.171   2.937   9.841
    3    H3   GLY   1           HT3      GLY   1   7.861   3.686   8.481
    4    HA2  GLY   1           HA2      GLY   1   8.471   0.863   9.011
    5    HA3  GLY   1           HA1      GLY   1   6.916   1.289   8.294
    6    H    ARG   2           HN       ARG   2  10.337   2.269   7.946
    7    HA   ARG   2           HA       ARG   2  10.108   3.037   5.233
    8    HB2  ARG   2           HB2      ARG   2  12.485   2.263   6.931
    9    HB3  ARG   2           HB1      ARG   2  12.636   2.816   5.263
   10    HG2  ARG   2           HG2      ARG   2  11.490   4.915   5.837
   11    HG3  ARG   2           HG1      ARG   2  11.295   4.363   7.501
   12    HD2  ARG   2           HD2      ARG   2  13.744   4.245   7.754
   13    HD3  ARG   2           HD1      ARG   2  13.945   4.783   6.089
   14    HE   ARG   2           HE       ARG   2  12.363   6.685   7.409
   15   HH11  ARG   2          HH11      ARG   2  15.552   5.350   7.508
   16   HH12  ARG   2          HH12      ARG   2  16.290   6.795   8.114
   17   HH21  ARG   2          HH21      ARG   2  13.320   8.584   8.207
   18   HH22  ARG   2          HH22      ARG   2  15.025   8.626   8.510
   19    H    ILE   3           HN       ILE   3  10.994  -0.005   6.794
   20    HA   ILE   3           HA       ILE   3  11.835  -1.371   4.451
   21    HB   ILE   3           HB       ILE   3  10.723  -2.411   7.067
   22   HG12  ILE   3          HG12      ILE   3  13.583  -2.332   6.078
   23   HG13  ILE   3          HG11      ILE   3  12.879  -1.033   7.044
   24   HG21  ILE   3          HG21      ILE   3  10.596  -3.967   5.031
   25   HG22  ILE   3          HG22      ILE   3  11.499  -4.571   6.422
   26   HG23  ILE   3          HG23      ILE   3  12.360  -3.924   5.023
   27   HD11  ILE   3          HD11      ILE   3  14.145  -2.894   8.308
   28   HD12  ILE   3          HD12      ILE   3  12.749  -3.908   7.948
   29   HD13  ILE   3          HD13      ILE   3  12.551  -2.444   8.912
   30    H    ASP   4           HN       ASP   4   8.722  -0.591   5.758
   31    HA   ASP   4           HA       ASP   4   7.155  -2.613   4.576
   32    HB2  ASP   4           HB2      ASP   4   6.292  -1.071   6.287
   33    HB3  ASP   4           HB1      ASP   4   6.423   0.268   5.149
   34    H    DBU   5           HN       DHB   5   8.186   0.574   3.353
   35    HB   DBU   5           HB       DHB   5   7.169   1.699  -0.299
   36    HG1  DBU   5           HG1      DHB   5   6.477   2.607   2.476
   37    HG2  DBU   5           HG2      DHB   5   5.931   3.294   0.945
   38    HG3  DBU   5           HG3      DHB   5   5.132   1.867   1.606
   39    H    CYS   6           HN       CYS   6  10.123  -0.195   1.927
   40    HA   CYS   6           HA       CYS   6  10.622  -1.592  -0.631
   41    HB2  CYS   6           HB2      CYS   6  12.050   0.422  -0.057
   42    HB3  CYS   6           HB1      CYS   6  12.684  -0.514   1.291
   43    HA   PRO   7           HA       PRO   7  10.305  -5.062   2.321
   44    HB2  PRO   7           HB2      PRO   7  10.610  -6.548  -0.237
   45    HB3  PRO   7           HB1      PRO   7   9.388  -6.731   1.033
   46    HG2  PRO   7           HG2      PRO   7   8.825  -5.588  -1.314
   47    HG3  PRO   7           HG1      PRO   7   8.074  -5.052   0.198
   48    HD2  PRO   7           HD2      PRO   7  10.235  -3.743  -1.398
   49    HD3  PRO   7           HD1      PRO   7   8.951  -3.005  -0.416
   50    H    ALA   8           HN       ALA   8  12.047  -5.795   3.383
   51    HA   ALA   8           HA       ALA   8  14.373  -5.901   3.780
   52    HB1  ALA   8           HB1      ALA   8  13.140  -8.203   2.920
   53    HB2  ALA   8           HB2      ALA   8  14.763  -8.116   3.603
   54    HB3  ALA   8           HB3      ALA   8  14.541  -8.106   1.854
   55    H    GLY   9           HN       GLY   9  13.977  -3.925   1.797
   56    HA2  GLY   9           HA2      GLY   9  16.136  -4.503  -0.140
   57    HA3  GLY   9           HA1      GLY   9  14.863  -3.310  -0.385
   58    H    GLY  10           HN       GLY  10  18.052  -3.675   0.403
   59    HA2  GLY  10           HA2      GLY  10  18.448  -1.765   2.456
   60    HA3  GLY  10           HA1      GLY  10  19.661  -2.292   1.293
   61    H    GLY  11           HN       GLY  11  18.657  -1.483  -1.098
   62    HA2  GLY  11           HA2      GLY  11  19.261   1.286  -1.148
   63    HA3  GLY  11           HA1      GLY  11  18.591   0.353  -2.489
   64    H    DBB  12           HN       DBB  12  16.219  -0.479  -1.566
   65    HA   DBB  12           HA       DBB  12  14.479   0.979  -0.142
   66    HB2  DBB  12           HB2      DBB  12  14.218  -0.384  -2.797
   67    HG1  DBB  12           HG1      DBB  12  12.336   1.581  -1.587
   68    HG2  DBB  12           HG2      DBB  12  11.641   0.123  -2.296
   69    HG3  DBB  12           HG3      DBB  12  12.635   1.198  -3.280
   70    H    DAL  13           HN       DAL  13  16.102   1.997  -3.037
   71    HA   DAL  13           HA       DAL  13  16.427   4.238  -3.683
   72    HB1  DAL  13           HB2      DAL  13  14.989   5.969  -2.875
   73    HB2  DAL  13           HB3      DAL  13  13.837   4.786  -2.272
   74    H    GLU  14           HN       GLU  14  15.883   2.871  -5.724
   75    HA   GLU  14           HA       GLU  14  13.968   4.271  -7.271
   76    HB2  GLU  14           HB2      GLU  14  15.988   3.185  -8.217
   77    HB3  GLU  14           HB1      GLU  14  15.276   1.609  -7.868
   78    HG2  GLU  14           HG2      GLU  14  13.365   2.126  -9.317
   79    HG3  GLU  14           HG1      GLU  14  14.027   3.728  -9.638
   80    H    GLN  15           HN       GLN  15  13.894   1.247  -5.505
   81    HA   GLN  15           HA       GLN  15  11.517   0.186  -6.591
   82    HB2  GLN  15           HB2      GLN  15  13.286  -0.350  -4.332
   83    HB3  GLN  15           HB1      GLN  15  11.593  -0.683  -3.958
   84    HG2  GLN  15           HG2      GLN  15  13.033  -1.714  -6.417
   85    HG3  GLN  15           HG1      GLN  15  12.791  -2.650  -4.944
   86   HE21  GLN  15          HE21      GLN  15  11.593  -2.674  -7.895
   87   HE22  GLN  15          HE22      GLN  15   9.937  -2.901  -7.597
   88    H    DBB  16           HN       DBB  16  12.115   2.629  -4.144
   89    HA   DBB  16           HA       DBB  16   9.193   2.870  -3.733
   90    HB2  DBB  16           HB2      DBB  16   9.265   5.172  -4.019
   91    HG1  DBB  16           HG1      DBB  16   9.998   3.919  -6.098
   92    HG2  DBB  16           HG2      DBB  16  11.657   4.346  -5.678
   93    HG3  DBB  16           HG3      DBB  16  10.483   5.613  -6.036
   94    H    GLY  17           HN       GLY  17   8.514   2.873  -1.687
   95    HA2  GLY  17           HA2      GLY  17   8.690   3.661   0.600
   96    HA3  GLY  17           HA1      GLY  17   9.371   2.038   0.549
   97    H    DBU  18           HN       DHB  18  11.135   1.978   1.806
   98    HB   DBU  18           HB       DHB  18  14.659   2.880   2.967
   99    HG1  DBU  18           HG1      DHB  18  14.080   0.654   3.789
  100    HG2  DBU  18           HG2      DHB  18  12.638   0.606   2.777
  101    HG3  DBU  18           HG3      DHB  18  14.234   0.418   2.048
  102    H    CYS  19           HN       CYS  19  14.359   4.292   0.506
  103    HA   CYS  19           HA       CYS  19  14.698   6.826   1.680
  104    HB2  CYS  19           HB2      CYS  19  15.044   7.094  -1.137
  105    HB3  CYS  19           HB1      CYS  19  16.289   6.934   0.089
  106    H    CYS  20           HN       CYS  20  12.451   5.672  -0.804
  107    HA   CYS  20           HA       CYS  20  11.349   8.161  -1.524
  108    HB2  CYS  20           HB2      CYS  20   9.840   5.548  -1.401
  109    HB3  CYS  20           HB1      CYS  20   9.542   6.915  -2.473
  Start of MODEL   19
    1    H1   GLY   1           HT1      GLY   1   6.479   4.780   7.801
    2    H2   GLY   1           HT2      GLY   1   7.872   4.088   8.484
    3    H3   GLY   1           HT3      GLY   1   7.029   3.270   7.258
    4    HA2  GLY   1           HA2      GLY   1   7.552   5.133   5.725
    5    HA3  GLY   1           HA1      GLY   1   8.587   5.781   6.997
    6    H    ARG   2           HN       ARG   2  10.100   4.022   7.974
    7    HA   ARG   2           HA       ARG   2  11.835   3.140   5.910
    8    HB2  ARG   2           HB2      ARG   2  11.732   2.507   8.865
    9    HB3  ARG   2           HB1      ARG   2  13.024   1.964   7.793
   10    HG2  ARG   2           HG2      ARG   2  13.536   4.296   7.204
   11    HG3  ARG   2           HG1      ARG   2  12.220   4.856   8.238
   12    HD2  ARG   2           HD2      ARG   2  14.554   3.209   9.241
   13    HD3  ARG   2           HD1      ARG   2  14.498   4.968   9.313
   14    HE   ARG   2           HE       ARG   2  12.151   3.979  10.499
   15   HH11  ARG   2          HH11      ARG   2  15.579   3.988  10.962
   16   HH12  ARG   2          HH12      ARG   2  15.486   3.886  12.689
   17   HH21  ARG   2          HH21      ARG   2  12.020   3.845  12.762
   18   HH22  ARG   2          HH22      ARG   2  13.470   3.806  13.708
   19    H    ILE   3           HN       ILE   3  12.427   0.989   5.345
   20    HA   ILE   3           HA       ILE   3  11.847  -1.084   4.520
   21    HB   ILE   3           HB       ILE   3  10.932  -1.284   7.396
   22   HG12  ILE   3          HG12      ILE   3  13.288  -2.781   6.575
   23   HG13  ILE   3          HG11      ILE   3  13.477  -1.060   6.232
   24   HG21  ILE   3          HG21      ILE   3  11.582  -3.824   6.554
   25   HG22  ILE   3          HG22      ILE   3  10.757  -3.167   5.140
   26   HG23  ILE   3          HG23      ILE   3   9.938  -3.203   6.702
   27   HD11  ILE   3          HD11      ILE   3  13.259  -0.450   8.473
   28   HD12  ILE   3          HD12      ILE   3  14.117  -1.985   8.611
   29   HD13  ILE   3          HD13      ILE   3  12.378  -1.921   8.891
   30    H    ASP   4           HN       ASP   4   9.690   1.177   4.733
   31    HA   ASP   4           HA       ASP   4   7.284  -0.499   4.515
   32    HB2  ASP   4           HB2      ASP   4   7.184   1.510   5.959
   33    HB3  ASP   4           HB1      ASP   4   7.552   2.516   4.560
   34    H    DBU   5           HN       DHB   5   7.354  -1.416   2.494
   35    HB   DBU   5           HB       DHB   5   6.434  -0.046  -1.255
   36    HG1  DBU   5           HG1      DHB   5   5.531   1.749   0.784
   37    HG2  DBU   5           HG2      DHB   5   4.504   1.041  -0.463
   38    HG3  DBU   5           HG3      DHB   5   4.675   0.238   1.099
   39    H    CYS   6           HN       CYS   6   9.680  -0.811   1.519
   40    HA   CYS   6           HA       CYS   6  10.537  -2.607  -0.667
   41    HB2  CYS   6           HB2      CYS   6  11.377  -0.178  -0.819
   42    HB3  CYS   6           HB1      CYS   6  12.373  -0.572   0.581
   43    HA   PRO   7           HA       PRO   7  11.324  -4.234   3.713
   44    HB2  PRO   7           HB2      PRO   7  10.048  -6.623   2.497
   45    HB3  PRO   7           HB1      PRO   7   9.756  -5.866   4.075
   46    HG2  PRO   7           HG2      PRO   7   7.997  -5.648   2.096
   47    HG3  PRO   7           HG1      PRO   7   8.308  -4.306   3.211
   48    HD2  PRO   7           HD2      PRO   7   9.266  -4.671   0.390
   49    HD3  PRO   7           HD1      PRO   7   8.724  -3.191   1.215
   50    H    ALA   8           HN       ALA   8  13.136  -5.403   4.198
   51    HA   ALA   8           HA       ALA   8  15.236  -6.276   3.736
   52    HB1  ALA   8           HB1      ALA   8  13.198  -8.221   2.719
   53    HB2  ALA   8           HB2      ALA   8  14.281  -8.357   4.104
   54    HB3  ALA   8           HB3      ALA   8  14.910  -8.559   2.468
   55    H    GLY   9           HN       GLY   9  13.935  -4.482   1.603
   56    HA2  GLY   9           HA2      GLY   9  15.001  -5.445  -0.901
   57    HA3  GLY   9           HA1      GLY   9  14.295  -3.859  -0.603
   58    H    GLY  10           HN       GLY  10  16.097  -3.416   1.722
   59    HA2  GLY  10           HA2      GLY  10  18.324  -2.844   2.186
   60    HA3  GLY  10           HA1      GLY  10  18.765  -3.321   0.549
   61    H    GLY  11           HN       GLY  11  18.518  -1.844  -1.158
   62    HA2  GLY  11           HA2      GLY  11  18.972   0.874  -0.531
   63    HA3  GLY  11           HA1      GLY  11  18.608   0.241  -2.134
   64    H    DBB  12           HN       DBB  12  16.066  -0.883  -1.533
   65    HA   DBB  12           HA       DBB  12  14.118   0.396  -0.262
   66    HB2  DBB  12           HB2      DBB  12  14.229  -0.608  -3.081
   67    HG1  DBB  12           HG1      DBB  12  11.647  -0.096  -2.987
   68    HG2  DBB  12           HG2      DBB  12  12.775   1.141  -3.540
   69    HG3  DBB  12           HG3      DBB  12  12.146   1.194  -1.894
   70    H    DAL  13           HN       DAL  13  15.954   1.777  -2.916
   71    HA   DAL  13           HA       DAL  13  16.332   4.050  -3.306
   72    HB1  DAL  13           HB2      DAL  13  13.941   5.085  -1.973
   73    HB2  DAL  13           HB3      DAL  13  15.001   4.177  -0.899
   74    H    GLU  14           HN       GLU  14  15.731   3.669  -5.533
   75    HA   GLU  14           HA       GLU  14  13.452   5.104  -6.428
   76    HB2  GLU  14           HB2      GLU  14  15.310   3.202  -7.875
   77    HB3  GLU  14           HB1      GLU  14  14.086   4.192  -8.669
   78    HG2  GLU  14           HG2      GLU  14  16.331   5.275  -6.945
   79    HG3  GLU  14           HG1      GLU  14  16.331   5.265  -8.707
   80    H    GLN  15           HN       GLN  15  13.950   1.831  -5.474
   81    HA   GLN  15           HA       GLN  15  11.910   0.572  -6.980
   82    HB2  GLN  15           HB2      GLN  15  13.607  -0.087  -4.679
   83    HB3  GLN  15           HB1      GLN  15  12.022  -0.863  -4.642
   84    HG2  GLN  15           HG2      GLN  15  13.897  -0.906  -7.022
   85    HG3  GLN  15           HG1      GLN  15  13.735  -2.218  -5.856
   86   HE21  GLN  15          HE21      GLN  15  12.794  -1.521  -8.889
   87   HE22  GLN  15          HE22      GLN  15  11.253  -2.236  -8.912
   88    H    DBB  16           HN       DBB  16  11.887   2.452  -4.028
   89    HA   DBB  16           HA       DBB  16   9.105   1.776  -3.459
   90    HB2  DBB  16           HB2      DBB  16   8.555   4.297  -3.482
   91    HG1  DBB  16           HG1      DBB  16   8.976   3.562  -6.287
   92    HG2  DBB  16           HG2      DBB  16   7.473   3.838  -5.408
   93    HG3  DBB  16           HG3      DBB  16   8.264   2.263  -5.330
   94    H    GLY  17           HN       GLY  17   9.010   1.527  -1.329
   95    HA2  GLY  17           HA2      GLY  17   9.557   3.466   0.573
   96    HA3  GLY  17           HA1      GLY  17   9.470   1.741   0.919
   97    H    DBU  18           HN       DHB  18  11.326   4.117   1.704
   98    HB   DBU  18           HB       DHB  18  15.189   2.735   2.295
   99    HG1  DBU  18           HG1      DHB  18  12.858   1.079   3.026
  100    HG2  DBU  18           HG2      DHB  18  13.485   0.591   1.452
  101    HG3  DBU  18           HG3      DHB  18  14.534   0.550   2.868
  102    H    CYS  19           HN       CYS  19  13.024   4.904  -0.431
  103    HA   CYS  19           HA       CYS  19  13.640   7.469   0.602
  104    HB2  CYS  19           HB2      CYS  19  15.840   7.839  -0.118
  105    HB3  CYS  19           HB1      CYS  19  15.919   6.238   0.615
  106    H    CYS  20           HN       CYS  20  11.848   5.953  -1.254
  107    HA   CYS  20           HA       CYS  20  12.298   6.678  -3.930
  108    HB2  CYS  20           HB2      CYS  20  10.149   5.558  -2.369
  109    HB3  CYS  20           HB1      CYS  20   9.516   6.757  -3.497
  Start of MODEL   20
    1    H1   GLY   1           HT1      GLY   1  15.638  -0.241   9.960
    2    H2   GLY   1           HT2      GLY   1  15.139   0.556  11.374
    3    H3   GLY   1           HT3      GLY   1  15.982   1.406  10.168
    4    HA2  GLY   1           HA2      GLY   1  13.299   0.186   9.807
    5    HA3  GLY   1           HA1      GLY   1  13.582   1.891  10.160
    6    H    ARG   2           HN       ARG   2  16.094   0.568   8.345
    7    HA   ARG   2           HA       ARG   2  15.397   2.136   6.031
    8    HB2  ARG   2           HB2      ARG   2  17.697   0.303   6.702
    9    HB3  ARG   2           HB1      ARG   2  17.525   1.046   5.112
   10    HG2  ARG   2           HG2      ARG   2  17.514   3.277   6.123
   11    HG3  ARG   2           HG1      ARG   2  17.610   2.566   7.735
   12    HD2  ARG   2           HD2      ARG   2  19.686   2.123   5.577
   13    HD3  ARG   2           HD1      ARG   2  19.823   3.355   6.827
   14    HE   ARG   2           HE       ARG   2  20.138   0.484   7.177
   15   HH11  ARG   2          HH11      ARG   2  19.569   3.581   8.612
   16   HH12  ARG   2          HH12      ARG   2  20.115   3.107  10.185
   17   HH21  ARG   2          HH21      ARG   2  20.856  -0.145   9.237
   18   HH22  ARG   2          HH22      ARG   2  20.844   0.996  10.539
   19    H    ILE   3           HN       ILE   3  13.810  -0.343   6.902
   20    HA   ILE   3           HA       ILE   3  13.593  -1.470   4.197
   21    HB   ILE   3           HB       ILE   3  13.782  -3.147   6.712
   22   HG12  ILE   3          HG12      ILE   3  15.657  -3.671   4.530
   23   HG13  ILE   3          HG11      ILE   3  15.831  -2.040   5.183
   24   HG21  ILE   3          HG21      ILE   3  12.316  -4.315   5.312
   25   HG22  ILE   3          HG22      ILE   3  13.883  -4.958   4.820
   26   HG23  ILE   3          HG23      ILE   3  13.091  -3.722   3.842
   27   HD11  ILE   3          HD11      ILE   3  17.251  -3.406   6.523
   28   HD12  ILE   3          HD12      ILE   3  16.025  -4.666   6.667
   29   HD13  ILE   3          HD13      ILE   3  15.811  -3.127   7.502
   30    H    ASP   4           HN       ASP   4  12.149   0.029   6.709
   31    HA   ASP   4           HA       ASP   4   9.710  -1.383   7.032
   32    HB2  ASP   4           HB2      ASP   4  10.634   1.414   7.571
   33    HB3  ASP   4           HB1      ASP   4   8.913   1.045   7.657
   34    H    DBU   5           HN       DHB   5  10.785   1.102   4.753
   35    HB   DBU   5           HB       DHB   5   8.179   2.574   2.136
   36    HG1  DBU   5           HG1      DHB   5   8.547   4.500   3.536
   37    HG2  DBU   5           HG2      DHB   5   7.610   3.490   4.637
   38    HG3  DBU   5           HG3      DHB   5   9.370   3.533   4.759
   39    H    CYS   6           HN       CYS   6  11.238   0.430   2.050
   40    HA   CYS   6           HA       CYS   6   9.689  -1.385   0.330
   41    HB2  CYS   6           HB2      CYS   6  11.972  -1.456  -0.906
   42    HB3  CYS   6           HB1      CYS   6  10.998   0.009  -1.022
   43    HA   PRO   7           HA       PRO   7  11.394  -4.301   3.415
   44    HB2  PRO   7           HB2      PRO   7   9.587  -6.279   2.750
   45    HB3  PRO   7           HB1      PRO   7   9.279  -5.002   3.942
   46    HG2  PRO   7           HG2      PRO   7   8.429  -5.175   1.092
   47    HG3  PRO   7           HG1      PRO   7   7.525  -4.610   2.507
   48    HD2  PRO   7           HD2      PRO   7   8.640  -2.871   0.754
   49    HD3  PRO   7           HD1      PRO   7   8.554  -2.511   2.492
   50    H    ALA   8           HN       ALA   8  12.887  -5.907   3.113
   51    HA   ALA   8           HA       ALA   8  14.354  -7.293   2.016
   52    HB1  ALA   8           HB1      ALA   8  13.322  -9.035   1.018
   53    HB2  ALA   8           HB2      ALA   8  12.538  -8.000  -0.176
   54    HB3  ALA   8           HB3      ALA   8  11.823  -8.199   1.425
   55    H    GLY   9           HN       GLY   9  13.363  -4.463   0.835
   56    HA2  GLY   9           HA2      GLY   9  14.551  -4.676  -1.830
   57    HA3  GLY   9           HA1      GLY   9  13.744  -3.263  -1.156
   58    H    GLY  10           HN       GLY  10  15.786  -4.460   1.163
   59    HA2  GLY  10           HA2      GLY  10  17.675  -3.532   2.123
   60    HA3  GLY  10           HA1      GLY  10  18.369  -3.824   0.531
   61    H    GLY  11           HN       GLY  11  18.963  -2.117  -0.677
   62    HA2  GLY  11           HA2      GLY  11  19.490   0.364   0.115
   63    HA3  GLY  11           HA1      GLY  11  18.899   0.074  -1.519
   64    H    DBB  12           HN       DBB  12  16.508   0.050  -1.796
   65    HA   DBB  12           HA       DBB  12  15.087   1.684   0.202
   66    HB2  DBB  12           HB2      DBB  12  14.330  -0.587  -1.321
   67    HG1  DBB  12           HG1      DBB  12  13.881   1.246  -3.071
   68    HG2  DBB  12           HG2      DBB  12  12.581   1.776  -2.002
   69    HG3  DBB  12           HG3      DBB  12  12.550   0.153  -2.690
   70    H    DAL  13           HN       DAL  13  16.136   1.602  -3.142
   71    HA   DAL  13           HA       DAL  13  16.454   3.368  -4.607
   72    HB1  DAL  13           HB2      DAL  13  16.348   4.675  -2.208
   73    HB2  DAL  13           HB3      DAL  13  16.579   5.466  -3.767
   74    H    GLU  14           HN       GLU  14  15.131   4.253  -6.299
   75    HA   GLU  14           HA       GLU  14  12.465   4.849  -6.305
   76    HB2  GLU  14           HB2      GLU  14  14.083   3.435  -8.433
   77    HB3  GLU  14           HB1      GLU  14  12.455   4.059  -8.699
   78    HG2  GLU  14           HG2      GLU  14  13.718   5.877  -9.389
   79    HG3  GLU  14           HG1      GLU  14  13.476   6.276  -7.689
   80    H    GLN  15           HN       GLN  15  13.863   1.806  -5.673
   81    HA   GLN  15           HA       GLN  15  11.882   0.034  -6.580
   82    HB2  GLN  15           HB2      GLN  15  13.812  -0.090  -4.264
   83    HB3  GLN  15           HB1      GLN  15  12.714  -1.415  -4.647
   84    HG2  GLN  15           HG2      GLN  15  13.644  -1.573  -6.906
   85    HG3  GLN  15           HG1      GLN  15  14.699  -0.197  -6.587
   86   HE21  GLN  15          HE21      GLN  15  15.300  -3.177  -7.138
   87   HE22  GLN  15          HE22      GLN  15  16.334  -3.620  -5.867
   88    H    DBB  16           HN       DBB  16  11.834   2.355  -4.049
   89    HA   DBB  16           HA       DBB  16   9.521   1.093  -2.749
   90    HB2  DBB  16           HB2      DBB  16   8.222   3.207  -2.944
   91    HG1  DBB  16           HG1      DBB  16   8.354   2.912  -5.704
   92    HG2  DBB  16           HG2      DBB  16   7.347   1.968  -4.607
   93    HG3  DBB  16           HG3      DBB  16   8.931   1.363  -5.093
   94    H    GLY  17           HN       GLY  17   9.438   1.470  -0.603
   95    HA2  GLY  17           HA2      GLY  17  10.012   3.652   0.884
   96    HA3  GLY  17           HA1      GLY  17  10.348   2.024   1.464
   97    H    DBU  18           HN       DHB  18  11.975   3.810   2.501
   98    HB   DBU  18           HB       DHB  18  15.973   3.568   2.325
   99    HG1  DBU  18           HG1      DHB  18  13.836   1.404   2.718
  100    HG2  DBU  18           HG2      DHB  18  15.569   1.130   2.539
  101    HG3  DBU  18           HG3      DHB  18  14.938   1.852   4.019
  102    H    CYS  19           HN       CYS  19  12.950   4.892  -0.290
  103    HA   CYS  19           HA       CYS  19  13.944   7.606   0.176
  104    HB2  CYS  19           HB2      CYS  19  15.064   7.772  -1.944
  105    HB3  CYS  19           HB1      CYS  19  15.714   6.359  -1.113
  106    H    CYS  20           HN       CYS  20  12.086   5.413  -1.925
  107    HA   CYS  20           HA       CYS  20  10.735   6.893  -3.651
  108    HB2  CYS  20           HB2      CYS  20   9.832   4.770  -1.792
  109    HB3  CYS  20           HB1      CYS  20   8.561   5.713  -2.569