*HEADER    PROTEIN BINDING                         11-OCT-01   1K5O              
*TITLE     CPI-17(35-120) DELETION MUTANT                                        
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CPI-17;                                                    
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: RESIDUES 1-86;                                             
*COMPND   5 SYNONYM: 17-KDA PKC-POTENTIATED INHIBITORY PROTEIN OF PP1;           
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: SUS SCROFA;                                     
*SOURCE   3 ORGANISM_COMMON: PIG;                                                
*SOURCE   4 GENE: PORCINE AORTA;                                                 
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR: PET30;                                     
*SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PET30::CPI(35-120)                        
*KEYWDS    PHOSPHORYLATION, PP1-INHIBITOR, MLCP-INHIBITOR                        
*EXPDTA    NMR, MINIMIZED AVERAGE STRUCTURE                                      
*AUTHOR    S.OHKI, M.ETO, E.KARIYA, T.HAYANO, Y.HAYASHI, M.YAZAWA,               
*AUTHOR   2 D.BRAUTIGAN, M.KAINOSHO                                              
*REVDAT   1   11-OCT-02 1K5O    0                                                
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assign (resid   56 and  name HA   )((resid   4  and  name HG2#  )or(resid  67 and  name HG2# )) 0.0 1.5 6.5
assign (resid   56 and  name HN   )((resid   56 and  name HB1   )or(resid  53 and  name HA   )) 0.0 0.0 2.7 
assign (resid   57 and  name HN   )((resid   57 and  name HA    )or(resid  54 and  name HA   )) 0.0 0.0 2.7
assign (resid   59 and  name HA   )((resid   4  and  name HG2#  )or(resid  67 and  name HG2# )) 0.0 1.5 6.5
assign (resid   59 and  name HG2# )((resid   41 and  name HA    )or(resid  75 and  name HA   )) 0.0 1.5 5.0 
assign (resid   61 and  name HN   )((resid   59 and  name HG2*  )or(resid  62 and  name HD*  )) 0.0 2.4 7.4
assign (resid   62 and  name HN   )((resid   43 and  name HD#   )or(resid  41 and  name HG1# )) 0.0 0.0 6.5
assign (resid   62 and  name HN   )((resid   62 and  name HB1   )or(resid  62 and  name HB2  )) 0.0 0.0 2.7 
assign (resid   62 and  name HN   )((resid   62 and  name HB1   )or(resid  62 and  name HB2  )) 0.0 0.0 3.5
assign (resid   62 and  name HD#  )((resid   59 and  name HA    )or(resid  69 and  name HE#  )) 0.0 2.5 6.0 
assign (resid   63 and  name HN   )((resid   62 and  name HB1   )or(resid  62 and  name HB2  )) 0.0 0.0 5.0 
assign (resid   63 and  name HN   )((resid   62 and  name HB1   )or(resid  62 and  name HB2  )) 0.0 0.0 3.5 
assign (resid   65 and  name HA   )((resid   65 and  name HB1   )or(resid  65 and  name HB2  )) 0.0 0.0 2.7
assign (resid   65 and  name HA   )((resid   65 and  name HB1   )or(resid  65 and  name HB2  )) 0.0 0.0 3.5
assign (resid   65 and  name HA   )((resid   68 and  name HB1   )or(resid  68 and  name HB2  )) 0.0 0.0 3.5 
assign (resid   65 and  name HA   )((resid   68 and  name HB1   )or(resid  68 and  name HB2  )) 0.0 0.0 5.0
assign (resid   65 and  name HN   )((resid   65 and  name HB1   )or(resid  65 and  name HB2  )) 0.0 0.0 3.5 
assign (resid   65 and  name HN   )((resid   65 and  name HB1   )or(resid  65 and  name HB2  )) 0.0 0.0 5.0
assign (resid   68 and  name HA   )((resid   69 and  name HD1   )or(resid  69 and  name HD2  )) 0.0 0.0 2.7
assign (resid   68 and  name HA   )((resid   69 and  name HD1   )or(resid  69 and  name HD2  )) 0.0 0.0 3.5 
assign (resid   68 and  name HN   )((resid   68 and  name HD21  )or(resid  68 and  name HD22 )) 0.0 0.0 3.5 
assign (resid   68 and  name HN   )((resid   68 and  name HD21  )or(resid  68 and  name HD22 )) 0.0 0.0 5.0
assign (resid   71 and  name HN   )((resid   71 and  name HB1   )or(resid  71 and  name HB2  )) 0.0 0.0 2.7
assign (resid   71 and  name HN   )((resid   71 and  name HB1   )or(resid  71 and  name HB2  )) 0.0 0.0 3.5 
assign (resid   71 and  name HA   )((resid   71 and  name HB1   )or(resid  71 and  name HB2  )) 0.0 0.0 2.7  
assign (resid   71 and  name HA   )((resid   71 and  name HB1   )or(resid  71 and  name HB2  )) 0.0 0.0 3.5
assign (resid   73 and  name HN   )((resid   73 and  name HA    )or(resid  70 and  name HA   )) 0.0 0.0 2.7
assign (resid   73 and  name HD#  )((resid    4 and  name HG2#  )or(resid  67 and  name HG2# )) 0.0 3.5 7.0 
assign (resid   78 and  name HN   )((resid   77 and  name HB1   )or(resid  77 and  name HB2  )) 0.0 0.0 2.7 
assign (resid   78 and  name HN   )((resid   77 and  name HB1   )or(resid  77 and  name HB2  )) 0.0 0.0 3.5 
assign (resid   78 and  name HN   )((resid   78 and  name HA    )or(resid  75 and  name HA   )) 0.0 0.0 3.5 
assign (resid   78 and  name HN   )((resid   78 and  name HB1   )or(resid  78 and  name HB2  )) 0.0 0.0 3.5
assign (resid   78 and  name HN   )((resid   78 and  name HB1   )or(resid  78 and  name HB2  )) 0.0 0.0 3.5
assign (resid   79 and  name HN   )((resid   78 and  name HA    )or(resid  76 and  name HA   )) 0.0 0.0 3.5
assign (resid   81 and  name HA   )((resid   49 and  name HD#   )or(resid  84 and  name HD2# )) 0.0 3.0 6.5
assign (resid   81 and  name HA   )((resid   81 and  name HB1   )or(resid  81 and  name HB2  )) 0.0 0.0 2.7 
assign (resid   81 and  name HA   )((resid   81 and  name HB1   )or(resid  81 and  name HB2  )) 0.0 0.0 3.5
assign (resid   81 and  name HN   )((resid   81 and  name HA    )or(resid  78 and  name HA   )) 0.0 0.0 3.5
assign (resid   85 and  name HA   )((resid   47 and  name HD2#  )or(resid  81 and  name HD#  )) 0.0 3.0 6.5
assign (resid   85 and  name HA   )((resid   85 and  name HB1   )or(resid  85 and  name HB2  )) 0.0 0.0 2.7
assign (resid   85 and  name HA   )((resid   85 and  name HB1   )or(resid  85 and  name HB2  )) 0.0 0.0 3.5
assign (resid   85 and  name HN   )((resid   82 and  name HA    )or(resid  86 and  name HA   )) 0.0 0.0 5.0
!H-bonds 
assign (resid   15 and   name O    )(resid   19 and   name N    )  0.0 0.0 3.3
assign (resid   15 and   name O    )(resid   19 and   name HN   )  0.0 0.0 2.3
assign (resid   16 and   name O    )(resid   20 and   name N    )  0.0 0.0 3.3
assign (resid   16 and   name O    )(resid   20 and   name HN   )  0.0 0.0 2.3
assign (resid   17 and   name O    )(resid   21 and   name N    )  0.0 0.0 3.3
assign (resid   17 and   name O    )(resid   21 and   name HN   )  0.0 0.0 2.3
assign (resid   19 and   name O    )(resid   23 and   name N    )  0.0 0.0 3.3
assign (resid   19 and   name O    )(resid   23 and   name HN   )  0.0 0.0 2.3
assign (resid   20 and   name O    )(resid   24 and   name N    )  0.0 0.0 3.3
assign (resid   20 and   name O    )(resid   24 and   name HN   )  0.0 0.0 2.3
assign (resid   21 and   name O    )(resid   25 and   name N    )  0.0 0.0 3.3
assign (resid   21 and   name O    )(resid   25 and   name HN   )  0.0 0.0 2.3
assign (resid   22 and   name O    )(resid   26 and   name N    )  0.0 0.0 3.3
assign (resid   22 and   name O    )(resid   26 and   name HN   )  0.0 0.0 2.3
assign (resid   23 and   name O    )(resid   27 and   name N    )  0.0 0.0 3.3
assign (resid   23 and   name O    )(resid   27 and   name HN   )  0.0 0.0 2.3
assign (resid   24 and   name O    )(resid   28 and   name N    )  0.0 0.0 3.3
assign (resid   24 and   name O    )(resid   28 and   name HN   )  0.0 0.0 2.3
assign (resid   25 and   name O    )(resid   29 and   name N    )  0.0 0.0 3.3
assign (resid   25 and   name O    )(resid   29 and   name HN   )  0.0 0.0 2.3
assign (resid   43 and   name O    )(resid   47 and   name N    )  0.0 0.0 3.3
assign (resid   43 and   name O    )(resid   47 and   name HN   )  0.0 0.0 2.3
assign (resid   54 and   name O    )(resid   58 and   name N    )  0.0 0.0 3.3
assign (resid   54 and   name O    )(resid   58 and   name HN   )  0.0 0.0 2.3
assign (resid   55 and   name O    )(resid   59 and   name N    )  0.0 0.0 3.3
assign (resid   55 and   name O    )(resid   59 and   name HN   )  0.0 0.0 2.3
assign (resid   56 and   name O    )(resid   60 and   name N    )  0.0 0.0 3.3
assign (resid   56 and   name O    )(resid   60 and   name HN   )  0.0 0.0 2.3
assign (resid   57 and   name O    )(resid   61 and   name N    )  0.0 0.0 3.3
assign (resid   57 and   name O    )(resid   61 and   name HN   )  0.0 0.0 2.3
assign (resid   71 and   name O    )(resid   75 and   name N    )  0.0 0.0 3.3
assign (resid   71 and   name O    )(resid   75 and   name HN   )  0.0 0.0 2.3
assign (resid   72 and   name O    )(resid   76 and   name N    )  0.0 0.0 3.3
assign (resid   72 and   name O    )(resid   76 and   name HN   )  0.0 0.0 2.3
assign (resid   73 and   name O    )(resid   77 and   name N    )  0.0 0.0 3.3
assign (resid   73 and   name O    )(resid   77 and   name HN   )  0.0 0.0 2.3
assign (resid   74 and   name O    )(resid   78 and   name N    )  0.0 0.0 3.3
assign (resid   74 and   name O    )(resid   78 and   name HN   )  0.0 0.0 2.3
assign (resid   75 and   name O    )(resid   79 and   name N    )  0.0 0.0 3.3
assign (resid   75 and   name O    )(resid   79 and   name HN   )  0.0 0.0 2.3
assign (resid   76 and   name O    )(resid   80 and   name N    )  0.0 0.0 3.3
assign (resid   76 and   name O    )(resid   80 and   name HN   )  0.0 0.0 2.3
assign (resid   77 and   name O    )(resid   81 and   name N    )  0.0 0.0 3.3
assign (resid   77 and   name O    )(resid   81 and   name HN   )  0.0 0.0 2.3

  Entry H atom name         Submitted Coord H atom name
    1   1H    ALA   1          HT1       ALA   1  70.675  -8.040   2.553
    2   2H    ALA   1          HT2       ALA   1  72.275  -8.607   2.479
    3   3H    ALA   1          HT3       ALA   1  71.418  -8.282   1.049
    4    HA   ALA   1           HA       ALA   1  71.311  -5.911   2.427
    5   1HB   ALA   1          HB1       ALA   1  73.730  -7.565   2.964
    6   2HB   ALA   1          HB2       ALA   1  72.936  -6.382   4.001
    7   3HB   ALA   1          HB3       ALA   1  73.980  -5.843   2.685
    8    H    ARG   2           HN       ARG   2  71.398  -4.516   0.725
    9    HA   ARG   2           HA       ARG   2  72.035  -5.260  -1.927
   10   1HB   ARG   2          HB2       ARG   2  72.109  -2.507  -0.656
   11   2HB   ARG   2          HB1       ARG   2  71.782  -2.877  -2.346
   12   1HG   ARG   2          HG2       ARG   2  69.975  -4.470  -0.937
   13   2HG   ARG   2          HG1       ARG   2  69.964  -2.936  -0.070
   14   1HD   ARG   2          HD2       ARG   2  68.420  -2.406  -1.703
   15   2HD   ARG   2          HD1       ARG   2  69.885  -2.014  -2.618
   16    HE   ARG   2           HE       ARG   2  69.695  -4.124  -3.775
   17   1HH1  ARG   2          HH21      ARG   2  66.988  -3.241  -1.884
   18   2HH1  ARG   2          HH22      ARG   2  66.121  -4.708  -2.184
   19   1HH2  ARG   2          HH11      ARG   2  68.701  -6.186  -3.962
   20   2HH2  ARG   2          HH12      ARG   2  67.086  -6.371  -3.367
   21    H    VAL   3           HN       VAL   3  73.779  -2.605  -2.082
   22    HA   VAL   3           HA       VAL   3  76.362  -3.846  -1.245
   23    HB   VAL   3           HB       VAL   3  75.897  -4.575  -3.500
   24   1HG1  VAL   3          HG11      VAL   3  74.653  -2.019  -3.687
   25   2HG1  VAL   3          HG12      VAL   3  74.633  -3.323  -4.872
   26   3HG1  VAL   3          HG13      VAL   3  75.899  -2.098  -4.932
   27   1HG2  VAL   3          HG21      VAL   3  78.212  -4.007  -3.121
   28   2HG2  VAL   3          HG22      VAL   3  77.886  -2.296  -3.395
   29   3HG2  VAL   3          HG23      VAL   3  77.777  -3.442  -4.732
   30    H    THR   4           HN       THR   4  76.263  -2.030   0.349
   31    HA   THR   4           HA       THR   4  77.552   0.385  -0.711
   32    HB   THR   4           HB       THR   4  75.712   1.696   0.537
   33    HG1  THR   4           HG1      THR   4  74.809  -0.125   1.539
   34   1HG2  THR   4          HG21      THR   4  74.807   2.125  -1.502
   35   2HG2  THR   4          HG22      THR   4  74.357   0.437  -1.742
   36   3HG2  THR   4          HG23      THR   4  75.999   0.971  -2.097
   37    H    VAL   5           HN       VAL   5  79.327   0.070   0.733
   38    HA   VAL   5           HA       VAL   5  78.638  -0.153   3.649
   39    HB   VAL   5           HB       VAL   5  79.908  -1.998   2.405
   40   1HG1  VAL   5          HG11      VAL   5  82.212  -0.050   2.622
   41   2HG1  VAL   5          HG12      VAL   5  81.301  -0.272   1.129
   42   3HG1  VAL   5          HG13      VAL   5  82.195  -1.623   1.825
   43   1HG2  VAL   5          HG21      VAL   5  80.193  -2.311   4.650
   44   2HG2  VAL   5          HG22      VAL   5  80.654  -0.632   4.929
   45   3HG2  VAL   5          HG23      VAL   5  81.837  -1.779   4.301
   46    H    LYS   6           HN       LYS   6  79.721   1.254   5.104
   47    HA   LYS   6           HA       LYS   6  80.982   3.143   5.791
   48   1HB   LYS   6          HB2       LYS   6  82.075   3.108   2.962
   49   2HB   LYS   6          HB1       LYS   6  82.847   3.762   4.404
   50   1HG   LYS   6          HG2       LYS   6  82.095   0.896   4.562
   51   2HG   LYS   6          HG1       LYS   6  83.383   1.281   3.421
   52   1HD   LYS   6          HD2       LYS   6  83.825   2.767   5.834
   53   2HD   LYS   6          HD1       LYS   6  83.571   1.072   6.252
   54   1HE   LYS   6          HE2       LYS   6  85.331   0.366   4.734
   55   2HE   LYS   6          HE1       LYS   6  85.507   2.018   4.109
   56   1HZ   LYS   6          HZ1       LYS   6  87.121   1.893   5.762
   57   2HZ   LYS   6          HZ2       LYS   6  86.132   0.992   6.809
   58   3HZ   LYS   6          HZ3       LYS   6  85.823   2.643   6.554
   59    H    TYR   7           HN       TYR   7  80.335   3.729   2.310
   60    HA   TYR   7           HA       TYR   7  78.937   5.342   1.273
   61   1HB   TYR   7          HB2       TYR   7  77.799   4.684   3.836
   62   2HB   TYR   7          HB1       TYR   7  77.580   6.412   3.551
   63    HD1  TYR   7           HD1      TYR   7  75.772   3.626   3.319
   64    HD2  TYR   7           HD2      TYR   7  77.316   6.614   0.664
   65    HE1  TYR   7           HE1      TYR   7  73.958   3.130   1.703
   66    HE2  TYR   7           HE2      TYR   7  75.512   6.118  -0.957
   67    HH   TYR   7           HH       TYR   7  73.345   5.140  -1.045
   68    H    ASP   8           HN       ASP   8  78.263   7.851   1.803
   69    HA   ASP   8           HA       ASP   8  80.779   9.271   1.968
   70   1HB   ASP   8          HB2       ASP   8  78.419   9.680   0.746
   71   2HB   ASP   8          HB1       ASP   8  78.178  10.697   2.165
   72    H    ARG   9           HN       ARG   9  79.156  11.538   3.384
   73    HA   ARG   9           HA       ARG   9  79.451  10.585   6.203
   74   1HB   ARG   9          HB2       ARG   9  81.194  12.272   4.704
   75   2HB   ARG   9          HB1       ARG   9  80.389  13.281   5.905
   76   1HG   ARG   9          HG2       ARG   9  80.963  11.361   7.569
   77   2HG   ARG   9          HG1       ARG   9  82.129  10.862   6.342
   78   1HD   ARG   9          HD2       ARG   9  82.410  13.681   6.634
   79   2HD   ARG   9          HD1       ARG   9  82.396  12.980   8.264
   80    HE   ARG   9           HE       ARG   9  84.192  11.422   7.500
   81   1HH1  ARG   9          HH21      ARG   9  85.100  14.352   7.241
   82   2HH1  ARG   9          HH22      ARG   9  85.885  14.307   5.698
   83   1HH2  ARG   9          HH11      ARG   9  84.485  11.271   4.777
   84   2HH2  ARG   9          HH12      ARG   9  85.536  12.563   4.302
   85    H    ARG  10           HN       ARG  10  79.071  13.315   7.201
   86    HA   ARG  10           HA       ARG  10  77.292  14.752   7.801
   87   1HB   ARG  10          HB2       ARG  10  77.505  14.541   4.973
   88   2HB   ARG  10          HB1       ARG  10  75.783  14.548   5.357
   89   1HG   ARG  10          HG2       ARG  10  75.887  16.649   6.390
   90   2HG   ARG  10          HG1       ARG  10  77.624  16.531   6.673
   91   1HD   ARG  10          HD2       ARG  10  77.527  16.378   3.934
   92   2HD   ARG  10          HD1       ARG  10  76.183  17.485   4.278
   93    HE   ARG  10           HE       ARG  10  79.015  17.925   5.099
   94   1HH1  ARG  10          HH21      ARG  10  75.894  18.783   6.007
   95   2HH1  ARG  10          HH22      ARG  10  76.140  20.493   5.884
   96   1HH2  ARG  10          HH11      ARG  10  79.280  20.203   4.438
   97   2HH2  ARG  10          HH12      ARG  10  78.058  21.297   4.995
   98    H    GLU  11           HN       GLU  11  75.074  14.627   8.545
   99    HA   GLU  11           HA       GLU  11  73.293  13.338   9.489
  100   1HB   GLU  11          HB2       GLU  11  73.420  12.843   6.515
  101   2HB   GLU  11          HB1       GLU  11  72.152  12.095   7.487
  102   1HG   GLU  11          HG2       GLU  11  71.092  14.074   6.936
  103   2HG   GLU  11          HG1       GLU  11  71.900  14.579   8.421
  104    H    LEU  12           HN       LEU  12  75.539  12.109  10.290
  105    HA   LEU  12           HA       LEU  12  75.672   9.371   9.274
  106   1HB   LEU  12          HB2       LEU  12  77.158  11.154  11.081
  107   2HB   LEU  12          HB1       LEU  12  77.181   9.449  11.555
  108    HG   LEU  12           HG       LEU  12  79.014   9.999   9.946
  109   1HD1  LEU  12          HD11      LEU  12  76.993   7.937   9.731
  110   2HD1  LEU  12          HD12      LEU  12  78.723   7.816   9.408
  111   3HD1  LEU  12          HD13      LEU  12  77.619   8.325   8.129
  112   1HD2  LEU  12          HD21      LEU  12  77.682  11.769   8.743
  113   2HD2  LEU  12          HD22      LEU  12  76.701  10.487   8.034
  114   3HD2  LEU  12          HD23      LEU  12  78.418  10.597   7.651
  115    H    GLN  13           HN       GLN  13  73.974  11.024  11.854
  116    HA   GLN  13           HA       GLN  13  73.462   8.717  13.506
  117   1HB   GLN  13          HB2       GLN  13  72.519  11.469  13.138
  118   2HB   GLN  13          HB1       GLN  13  71.177  10.378  13.484
  119   1HG   GLN  13          HG2       GLN  13  72.170   9.651  15.533
  120   2HG   GLN  13          HG1       GLN  13  73.715  10.399  15.129
  121   1HE2  GLN  13          HE21      GLN  13  73.981  12.174  16.497
  122   2HE2  GLN  13          HE22      GLN  13  72.777  13.317  16.850
  123    H    ARG  14           HN       ARG  14  72.609   9.877  10.449
  124    HA   ARG  14           HA       ARG  14  70.308   8.088   9.970
  125   1HB   ARG  14          HB2       ARG  14  71.844   9.609   7.888
  126   2HB   ARG  14          HB1       ARG  14  70.095   9.463   8.081
  127   1HG   ARG  14          HG2       ARG  14  70.794  10.740  10.394
  128   2HG   ARG  14          HG1       ARG  14  71.966  11.404   9.258
  129   1HD   ARG  14          HD2       ARG  14  70.362  12.566   8.095
  130   2HD   ARG  14          HD1       ARG  14  69.168  11.262   8.260
  131    HE   ARG  14           HE       ARG  14  69.799  12.526  10.808
  132   1HH1  ARG  14          HH21      ARG  14  67.126  11.427   9.719
  133   2HH1  ARG  14          HH22      ARG  14  66.194  12.885   9.645
  134   1HH2  ARG  14          HH11      ARG  14  68.948  14.972   9.944
  135   2HH2  ARG  14          HH12      ARG  14  67.227  14.893   9.772
  136    H    ARG  15           HN       ARG  15  73.425   8.750   8.419
  137    HA   ARG  15           HA       ARG  15  73.623   6.310   7.000
  138   1HB   ARG  15          HB2       ARG  15  75.221   8.633   7.656
  139   2HB   ARG  15          HB1       ARG  15  76.214   7.179   7.760
  140   1HG   ARG  15          HG2       ARG  15  75.127   6.553   5.476
  141   2HG   ARG  15          HG1       ARG  15  74.711   8.265   5.388
  142   1HD   ARG  15          HD2       ARG  15  76.849   8.030   4.295
  143   2HD   ARG  15          HD1       ARG  15  77.188   8.739   5.887
  144    HE   ARG  15           HE       ARG  15  77.402   5.799   5.349
  145   1HH1  ARG  15          HH11      ARG  15  78.948   8.713   6.197
  146   2HH1  ARG  15          HH12      ARG  15  79.987   7.992   7.380
  147   1HH2  ARG  15          HH21      ARG  15  78.514   4.862   7.157
  148   2HH2  ARG  15          HH22      ARG  15  79.744   5.812   7.922
  149    H    LEU  16           HN       LEU  16  73.894   7.047  10.364
  150    HA   LEU  16           HA       LEU  16  75.672   4.906  11.133
  151   1HB   LEU  16          HB2       LEU  16  73.821   6.806  12.364
  152   2HB   LEU  16          HB1       LEU  16  73.791   5.241  13.177
  153    HG   LEU  16           HG       LEU  16  75.544   6.671  14.154
  154   1HD1  LEU  16          HD11      LEU  16  77.187   4.766  12.587
  155   2HD1  LEU  16          HD12      LEU  16  75.789   4.062  13.400
  156   3HD1  LEU  16          HD13      LEU  16  77.011   4.925  14.335
  157   1HD2  LEU  16          HD21      LEU  16  77.577   7.000  12.502
  158   2HD2  LEU  16          HD22      LEU  16  76.240   8.150  12.476
  159   3HD2  LEU  16          HD23      LEU  16  76.333   6.878  11.258
  160    H    ASP  17           HN       ASP  17  72.319   5.092  10.173
  161    HA   ASP  17           HA       ASP  17  71.745   2.293  10.966
  162   1HB   ASP  17          HB2       ASP  17  70.308   4.674  10.308
  163   2HB   ASP  17          HB1       ASP  17  69.882   3.464   9.096
  164    H    VAL  18           HN       VAL  18  72.952   4.175   8.376
  165    HA   VAL  18           HA       VAL  18  72.782   1.965   6.396
  166    HB   VAL  18           HB       VAL  18  73.510   4.912   6.274
  167   1HG1  VAL  18          HG11      VAL  18  73.204   3.464   3.738
  168   2HG1  VAL  18          HG12      VAL  18  74.633   3.003   4.657
  169   3HG1  VAL  18          HG13      VAL  18  74.387   4.686   4.202
  170   1HG2  VAL  18          HG21      VAL  18  71.324   5.162   5.812
  171   2HG2  VAL  18          HG22      VAL  18  71.086   3.423   5.988
  172   3HG2  VAL  18          HG23      VAL  18  71.512   4.100   4.417
  173    H    GLU  19           HN       GLU  19  74.494   2.488   8.921
  174    HA   GLU  19           HA       GLU  19  77.163   1.948   7.673
  175   1HB   GLU  19          HB2       GLU  19  76.942   4.097   8.966
  176   2HB   GLU  19          HB1       GLU  19  76.454   3.158  10.377
  177   1HG   GLU  19          HG2       GLU  19  78.625   1.923  10.250
  178   2HG   GLU  19          HG1       GLU  19  79.115   2.990   8.934
  179    H    LYS  20           HN       LYS  20  74.597   1.100   9.835
  180    HA   LYS  20           HA       LYS  20  76.080  -1.176  11.047
  181   1HB   LYS  20          HB2       LYS  20  74.208   0.561  11.962
  182   2HB   LYS  20          HB1       LYS  20  73.166  -0.769  11.455
  183   1HG   LYS  20          HG2       LYS  20  74.001  -2.212  13.038
  184   2HG   LYS  20          HG1       LYS  20  75.607  -1.482  13.006
  185   1HD   LYS  20          HD2       LYS  20  75.093   0.014  14.639
  186   2HD   LYS  20          HD1       LYS  20  73.479   0.307  13.991
  187   1HE   LYS  20          HE2       LYS  20  72.545  -1.527  15.135
  188   2HE   LYS  20          HE1       LYS  20  74.123  -2.310  15.352
  189   1HZ   LYS  20          HZ1       LYS  20  74.698  -0.923  17.036
  190   2HZ   LYS  20          HZ2       LYS  20  73.014  -0.868  17.259
  191   3HZ   LYS  20          HZ3       LYS  20  73.805   0.385  16.428
  192    H    TRP  21           HN       TRP  21  73.294  -0.603   8.861
  193    HA   TRP  21           HA       TRP  21  72.382  -3.239   8.494
  194   1HB   TRP  21          HB2       TRP  21  71.616  -2.381   6.307
  195   2HB   TRP  21          HB1       TRP  21  71.405  -1.153   7.551
  196    HD1  TRP  21           HD1      TRP  21  74.597  -0.418   7.617
  197    HE1  TRP  21           HE1      TRP  21  75.548   1.034   5.734
  198    HE3  TRP  21           HE3      TRP  21  70.961  -1.025   4.064
  199    HZ2  TRP  21           HZ2      TRP  21  74.869   1.899   3.127
  200    HZ3  TRP  21           HZ3      TRP  21  71.158   0.162   1.883
  201    HH2  TRP  21           HH2      TRP  21  73.097   1.611   1.430
  202    H    ILE  22           HN       ILE  22  75.204  -1.648   7.091
  203    HA   ILE  22           HA       ILE  22  75.847  -3.981   5.433
  204    HB   ILE  22           HB       ILE  22  77.635  -2.421   4.640
  205   1HG1  ILE  22          HG12      ILE  22  77.077   0.030   5.600
  206   2HG1  ILE  22          HG11      ILE  22  76.671  -0.916   7.027
  207   1HG2  ILE  22          HG21      ILE  22  75.809  -2.042   3.301
  208   2HG2  ILE  22          HG22      ILE  22  75.810  -0.491   4.131
  209   3HG2  ILE  22          HG23      ILE  22  74.732  -1.778   4.671
  210   1HD1  ILE  22          HD11      ILE  22  79.090  -1.992   6.047
  211   2HD1  ILE  22          HD12      ILE  22  78.863  -1.037   7.511
  212   3HD1  ILE  22          HD13      ILE  22  79.276  -0.240   5.996
  213    H    ASP  23           HN       ASP  23  77.426  -2.076   8.050
  214    HA   ASP  23           HA       ASP  23  79.787  -3.410   8.362
  215   1HB   ASP  23          HB2       ASP  23  78.776  -1.572   9.787
  216   2HB   ASP  23          HB1       ASP  23  77.880  -2.826  10.645
  217    H    GLY  24           HN       GLY  24  76.613  -4.655   9.336
  218   1HA   GLY  24          HA2       GLY  24  77.848  -7.165  10.283
  219   2HA   GLY  24          HA1       GLY  24  76.124  -6.779  10.325
  220    H    ARG  25           HN       ARG  25  75.484  -6.143   7.786
  221    HA   ARG  25           HA       ARG  25  75.419  -8.676   6.458
  222   1HB   ARG  25          HB2       ARG  25  75.026  -5.846   5.423
  223   2HB   ARG  25          HB1       ARG  25  74.481  -7.311   4.612
  224   1HG   ARG  25          HG2       ARG  25  73.599  -6.417   7.368
  225   2HG   ARG  25          HG1       ARG  25  72.641  -6.272   5.893
  226   1HD   ARG  25          HD2       ARG  25  72.830  -8.786   5.623
  227   2HD   ARG  25          HD1       ARG  25  73.551  -8.834   7.245
  228    HE   ARG  25           HE       ARG  25  71.021  -7.338   7.044
  229   1HH1  ARG  25          HH21      ARG  25  71.034 -10.448   6.440
  230   2HH1  ARG  25          HH22      ARG  25  70.464 -11.024   7.970
  231   1HH2  ARG  25          HH11      ARG  25  70.978  -8.001   9.595
  232   2HH2  ARG  25          HH12      ARG  25  70.432  -9.637   9.760
  233    H    LEU  26           HN       LEU  26  77.158  -5.678   5.496
  234    HA   LEU  26           HA       LEU  26  78.825  -6.863   3.556
  235   1HB   LEU  26          HB2       LEU  26  78.952  -4.540   5.468
  236   2HB   LEU  26          HB1       LEU  26  80.374  -4.924   4.502
  237    HG   LEU  26           HG       LEU  26  78.999  -3.296   3.333
  238   1HD1  LEU  26          HD11      LEU  26  80.132  -5.293   2.125
  239   2HD1  LEU  26          HD12      LEU  26  78.932  -4.364   1.226
  240   3HD1  LEU  26          HD13      LEU  26  78.493  -5.915   1.939
  241   1HD2  LEU  26          HD21      LEU  26  76.752  -5.005   2.694
  242   2HD2  LEU  26          HD22      LEU  26  76.759  -3.357   3.306
  243   3HD2  LEU  26          HD23      LEU  26  76.858  -4.708   4.425
  244    H    GLU  27           HN       GLU  27  79.059  -6.676   7.094
  245    HA   GLU  27           HA       GLU  27  81.590  -7.557   7.698
  246   1HB   GLU  27          HB2       GLU  27  79.059  -7.553   8.908
  247   2HB   GLU  27          HB1       GLU  27  79.593  -9.228   9.009
  248   1HG   GLU  27          HG2       GLU  27  81.821  -7.548   9.634
  249   2HG   GLU  27          HG1       GLU  27  80.444  -7.021  10.603
  250    H    GLU  28           HN       GLU  28  78.920  -9.523   6.366
  251    HA   GLU  28           HA       GLU  28  80.981 -11.638   5.767
  252   1HB   GLU  28          HB2       GLU  28  79.130 -11.956   7.556
  253   2HB   GLU  28          HB1       GLU  28  78.061 -12.156   6.171
  254   1HG   GLU  28          HG2       GLU  28  79.381 -13.975   5.310
  255   2HG   GLU  28          HG1       GLU  28  80.643 -13.693   6.509
  256    H    LEU  29           HN       LEU  29  77.943 -10.143   4.730
  257    HA   LEU  29           HA       LEU  29  77.590 -11.531   2.288
  258   1HB   LEU  29          HB2       LEU  29  75.816 -10.143   2.300
  259   2HB   LEU  29          HB1       LEU  29  76.464  -9.447   3.771
  260    HG   LEU  29           HG       LEU  29  77.933  -8.038   2.063
  261   1HD1  LEU  29          HD11      LEU  29  76.049  -9.427   0.377
  262   2HD1  LEU  29          HD12      LEU  29  77.339  -8.319  -0.092
  263   3HD1  LEU  29          HD13      LEU  29  75.739  -7.693   0.304
  264   1HD2  LEU  29          HD21      LEU  29  75.296  -7.704   3.297
  265   2HD2  LEU  29          HD22      LEU  29  75.550  -6.633   1.922
  266   3HD2  LEU  29          HD23      LEU  29  76.668  -6.605   3.286
  267    H    TYR  30           HN       TYR  30  80.045  -9.393   3.237
  268    HA   TYR  30           HA       TYR  30  81.260  -9.424   0.545
  269   1HB   TYR  30          HB2       TYR  30  79.868  -7.167   1.807
  270   2HB   TYR  30          HB1       TYR  30  81.496  -6.775   1.278
  271    HD1  TYR  30           HD1      TYR  30  78.702  -5.820   0.151
  272    HD2  TYR  30           HD2      TYR  30  81.520  -8.815  -1.070
  273    HE1  TYR  30           HE1      TYR  30  77.929  -5.585  -2.182
  274    HE2  TYR  30           HE2      TYR  30  80.752  -8.574  -3.409
  275    HH   TYR  30           HH       TYR  30  79.475  -7.434  -4.810
  276    H    ARG  31           HN       ARG  31  81.584 -10.114   3.573
  277    HA   ARG  31           HA       ARG  31  83.448  -8.831   5.042
  278   1HB   ARG  31          HB2       ARG  31  82.544 -11.085   5.477
  279   2HB   ARG  31          HB1       ARG  31  83.577 -11.742   4.214
  280   1HG   ARG  31          HG2       ARG  31  85.557 -10.802   5.501
  281   2HG   ARG  31          HG1       ARG  31  84.437 -10.482   6.826
  282   1HD   ARG  31          HD2       ARG  31  84.304 -12.690   7.399
  283   2HD   ARG  31          HD1       ARG  31  84.270 -13.219   5.705
  284    HE   ARG  31           HE       ARG  31  86.844 -12.170   6.141
  285   1HH1  ARG  31          HH11      ARG  31  85.207 -14.113   8.335
  286   2HH1  ARG  31          HH12      ARG  31  86.352 -15.412   8.309
  287   1HH2  ARG  31          HH21      ARG  31  88.181 -14.097   5.671
  288   2HH2  ARG  31          HH22      ARG  31  88.038 -15.403   6.800
  289    H    GLY  32           HN       GLY  32  84.811 -11.315   2.927
  290   1HA   GLY  32          HA2       GLY  32  87.344  -9.900   2.775
  291   2HA   GLY  32          HA1       GLY  32  86.930 -11.368   1.881
  292    H    ARG  33           HN       ARG  33  84.578  -8.971   1.598
  293    HA   ARG  33           HA       ARG  33  85.631  -8.188  -1.091
  294   1HB   ARG  33          HB2       ARG  33  83.018  -9.078   0.061
  295   2HB   ARG  33          HB1       ARG  33  82.989  -7.969  -1.312
  296   1HG   ARG  33          HG2       ARG  33  84.897  -9.811  -2.080
  297   2HG   ARG  33          HG1       ARG  33  83.726 -10.811  -1.222
  298   1HD   ARG  33          HD2       ARG  33  81.903  -9.815  -2.628
  299   2HD   ARG  33          HD1       ARG  33  83.147  -8.954  -3.557
  300    HE   ARG  33           HE       ARG  33  84.132 -11.447  -3.704
  301   1HH1  ARG  33          HH11      ARG  33  81.095 -11.936  -2.840
  302   2HH1  ARG  33          HH12      ARG  33  80.485 -12.502  -4.359
  303   1HH2  ARG  33          HH21      ARG  33  83.272 -11.484  -6.156
  304   2HH2  ARG  33          HH22      ARG  33  81.718 -12.246  -6.238
  305    H    GLU  34           HN       GLU  34  85.505  -6.939   1.851
  306    HA   GLU  34           HA       GLU  34  83.894  -4.702   2.033
  307   1HB   GLU  34          HB2       GLU  34  86.273  -5.691   3.159
  308   2HB   GLU  34          HB1       GLU  34  86.665  -4.051   2.641
  309   1HG   GLU  34          HG2       GLU  34  84.913  -3.108   3.949
  310   2HG   GLU  34          HG1       GLU  34  84.163  -4.682   4.213
  311    H    ALA  35           HN       ALA  35  86.509  -5.225  -0.249
  312    HA   ALA  35           HA       ALA  35  86.262  -2.394  -1.188
  313   1HB   ALA  35          HB1       ALA  35  88.519  -2.854  -0.785
  314   2HB   ALA  35          HB2       ALA  35  88.391  -3.266  -2.495
  315   3HB   ALA  35          HB3       ALA  35  88.362  -4.540  -1.276
  316    H    ASP  36           HN       ASP  36  84.848  -5.269  -1.809
  317    HA   ASP  36           HA       ASP  36  84.984  -5.101  -4.776
  318   1HB   ASP  36          HB2       ASP  36  84.605  -7.114  -2.758
  319   2HB   ASP  36          HB1       ASP  36  83.192  -7.102  -3.814
  320    H    MET  37           HN       MET  37  83.163  -3.807  -2.254
  321    HA   MET  37           HA       MET  37  80.859  -3.316  -4.097
  322   1HB   MET  37          HB2       MET  37  79.886  -4.865  -2.758
  323   2HB   MET  37          HB1       MET  37  81.068  -4.654  -1.474
  324   1HG   MET  37          HG2       MET  37  79.071  -2.472  -2.022
  325   2HG   MET  37          HG1       MET  37  78.575  -3.884  -1.091
  326   1HE   MET  37          HE1       MET  37  80.655  -4.920   0.326
  327   2HE   MET  37          HE2       MET  37  81.463  -3.973   1.572
  328   3HE   MET  37          HE3       MET  37  82.122  -4.009  -0.062
  329    HA   PRO  38           HA       PRO  38  81.602   0.765  -2.531
  330   1HB   PRO  38          HB2       PRO  38  80.401   1.950  -4.679
  331   2HB   PRO  38          HB1       PRO  38  82.021   1.238  -4.750
  332   1HG   PRO  38          HG2       PRO  38  79.579   0.326  -6.013
  333   2HG   PRO  38          HG1       PRO  38  81.236  -0.240  -6.255
  334   1HD   PRO  38          HD2       PRO  38  79.110  -1.389  -4.607
  335   2HD   PRO  38          HD1       PRO  38  80.629  -2.122  -5.176
  336    H    ASP  39           HN       ASP  39  80.217   2.666  -2.058
  337    HA   ASP  39           HA       ASP  39  77.347   1.949  -1.514
  338   1HB   ASP  39          HB2       ASP  39  78.187   4.311  -0.134
  339   2HB   ASP  39          HB1       ASP  39  77.818   2.739   0.575
  340    H    GLU  40           HN       GLU  40  77.914   2.650  -4.064
  341    HA   GLU  40           HA       GLU  40  76.833   5.401  -4.302
  342   1HB   GLU  40          HB2       GLU  40  79.423   4.251  -5.367
  343   2HB   GLU  40          HB1       GLU  40  78.735   5.760  -5.941
  344   1HG   GLU  40          HG2       GLU  40  78.718   6.551  -3.522
  345   2HG   GLU  40          HG1       GLU  40  79.668   5.118  -3.134
  346    H    VAL  41           HN       VAL  41  75.235   3.279  -4.870
  347    HA   VAL  41           HA       VAL  41  75.402   3.007  -7.851
  348    HB   VAL  41           HB       VAL  41  73.838   0.919  -6.707
  349   1HG1  VAL  41          HG11      VAL  41  74.996   0.435  -8.675
  350   2HG1  VAL  41          HG12      VAL  41  75.987  -0.388  -7.470
  351   3HG1  VAL  41          HG13      VAL  41  76.486   1.182  -8.101
  352   1HG2  VAL  41          HG21      VAL  41  75.396  -0.117  -5.150
  353   2HG2  VAL  41          HG22      VAL  41  75.029   1.507  -4.572
  354   3HG2  VAL  41          HG23      VAL  41  76.559   1.187  -5.388
  355    H    ASN  42           HN       ASN  42  72.902   1.949  -8.319
  356    HA   ASN  42           HA       ASN  42  71.214   4.254  -8.223
  357   1HB   ASN  42          HB2       ASN  42  70.206   1.430  -8.474
  358   2HB   ASN  42          HB1       ASN  42  69.675   2.872  -9.336
  359   1HD2  ASN  42          HD21      ASN  42  71.497   3.879 -10.794
  360   2HD2  ASN  42          HD22      ASN  42  72.477   2.778 -11.637
  361    H    ILE  43           HN       ILE  43  71.789   1.684  -5.924
  362    HA   ILE  43           HA       ILE  43  69.586   1.337  -4.387
  363    HB   ILE  43           HB       ILE  43  71.615   2.445  -2.639
  364   1HG1  ILE  43          HG12      ILE  43  72.938   2.043  -4.824
  365   2HG1  ILE  43          HG11      ILE  43  73.559   1.322  -3.344
  366   1HG2  ILE  43          HG21      ILE  43  71.724  -0.349  -2.583
  367   2HG2  ILE  43          HG22      ILE  43  70.059   0.033  -3.019
  368   3HG2  ILE  43          HG23      ILE  43  70.757   0.693  -1.541
  369   1HD1  ILE  43          HD11      ILE  43  73.536  -0.258  -5.301
  370   2HD1  ILE  43          HD12      ILE  43  71.778  -0.142  -5.302
  371   3HD1  ILE  43          HD13      ILE  43  72.616  -0.828  -3.911
  372    H    ASP  44           HN       ASP  44  71.382   4.342  -4.680
  373    HA   ASP  44           HA       ASP  44  69.788   5.872  -2.815
  374   1HB   ASP  44          HB2       ASP  44  72.213   6.096  -3.932
  375   2HB   ASP  44          HB1       ASP  44  71.315   7.092  -5.078
  376    H    GLU  45           HN       GLU  45  69.974   5.997  -6.402
  377    HA   GLU  45           HA       GLU  45  67.643   7.702  -6.616
  378   1HB   GLU  45          HB2       GLU  45  69.580   6.318  -8.327
  379   2HB   GLU  45          HB1       GLU  45  67.961   6.319  -9.026
  380   1HG   GLU  45          HG2       GLU  45  67.881   8.816  -8.520
  381   2HG   GLU  45          HG1       GLU  45  69.607   8.709  -8.172
  382    H    LEU  46           HN       LEU  46  68.128   4.209  -7.238
  383    HA   LEU  46           HA       LEU  46  65.456   3.529  -7.797
  384   1HB   LEU  46          HB2       LEU  46  67.803   2.216  -6.439
  385   2HB   LEU  46          HB1       LEU  46  66.268   1.357  -6.559
  386    HG   LEU  46           HG       LEU  46  67.917   2.467  -8.845
  387   1HD1  LEU  46          HD11      LEU  46  67.923  -0.008  -7.509
  388   2HD1  LEU  46          HD12      LEU  46  68.720   0.379  -9.030
  389   3HD1  LEU  46          HD13      LEU  46  67.087  -0.292  -9.031
  390   1HD2  LEU  46          HD21      LEU  46  65.062   1.924  -8.621
  391   2HD2  LEU  46          HD22      LEU  46  65.816   0.923  -9.863
  392   3HD2  LEU  46          HD23      LEU  46  65.953   2.681  -9.943
  393    H    LEU  47           HN       LEU  47  67.086   4.346  -4.800
  394    HA   LEU  47           HA       LEU  47  65.010   3.566  -2.964
  395   1HB   LEU  47          HB2       LEU  47  67.575   4.821  -2.955
  396   2HB   LEU  47          HB1       LEU  47  66.473   5.917  -2.131
  397    HG   LEU  47           HG       LEU  47  67.248   4.477  -0.415
  398   1HD1  LEU  47          HD11      LEU  47  64.832   2.880  -1.140
  399   2HD1  LEU  47          HD12      LEU  47  64.625   4.619  -0.937
  400   3HD1  LEU  47          HD13      LEU  47  65.253   3.645   0.392
  401   1HD2  LEU  47          HD21      LEU  47  68.372   2.724  -1.468
  402   2HD2  LEU  47          HD22      LEU  47  67.024   2.379  -2.553
  403   3HD2  LEU  47          HD23      LEU  47  66.940   1.893  -0.859
  404    H    GLU  48           HN       GLU  48  65.628   6.442  -4.955
  405    HA   GLU  48           HA       GLU  48  63.357   7.887  -3.805
  406   1HB   GLU  48          HB2       GLU  48  65.780   8.486  -5.083
  407   2HB   GLU  48          HB1       GLU  48  64.529   8.979  -6.224
  408   1HG   GLU  48          HG2       GLU  48  63.394  10.155  -4.259
  409   2HG   GLU  48          HG1       GLU  48  64.888   9.885  -3.361
  410    H    LEU  49           HN       LEU  49  63.292   5.296  -5.665
  411    HA   LEU  49           HA       LEU  49  61.760   6.254  -7.981
  412   1HB   LEU  49          HB2       LEU  49  63.089   3.856  -7.056
  413   2HB   LEU  49          HB1       LEU  49  61.464   3.463  -7.616
  414    HG   LEU  49           HG       LEU  49  61.916   4.690  -9.725
  415   1HD1  LEU  49          HD11      LEU  49  64.685   4.868  -9.816
  416   2HD1  LEU  49          HD12      LEU  49  64.299   5.457  -8.199
  417   3HD1  LEU  49          HD13      LEU  49  63.578   6.226  -9.613
  418   1HD2  LEU  49          HD21      LEU  49  62.437   2.576 -10.341
  419   2HD2  LEU  49          HD22      LEU  49  63.249   2.257  -8.809
  420   3HD2  LEU  49          HD23      LEU  49  64.126   3.035 -10.127
  421    H    GLU  50           HN       GLU  50  59.509   5.756  -8.339
  422    HA   GLU  50           HA       GLU  50  57.873   5.825  -5.891
  423   1HB   GLU  50          HB2       GLU  50  57.738   6.823  -8.489
  424   2HB   GLU  50          HB1       GLU  50  56.522   5.545  -8.474
  425   1HG   GLU  50          HG2       GLU  50  55.306   6.552  -6.726
  426   2HG   GLU  50          HG1       GLU  50  56.672   7.553  -6.232
  427    H    SER  51           HN       SER  51  59.199   3.420  -7.873
  428    HA   SER  51           HA       SER  51  57.063   1.496  -7.977
  429   1HB   SER  51          HB2       SER  51  58.723   0.162  -8.898
  430   2HB   SER  51          HB1       SER  51  59.473   1.743  -9.097
  431    HG   SER  51           HG       SER  51  60.671   1.382  -7.262
  432    H    GLU  52           HN       GLU  52  58.404  -0.770  -6.793
  433    HA   GLU  52           HA       GLU  52  58.303  -0.105  -3.871
  434   1HB   GLU  52          HB2       GLU  52  56.342  -1.388  -5.349
  435   2HB   GLU  52          HB1       GLU  52  57.254  -2.733  -4.663
  436   1HG   GLU  52          HG2       GLU  52  57.051  -1.665  -2.411
  437   2HG   GLU  52          HG1       GLU  52  56.025  -0.423  -3.131
  438    H    GLU  53           HN       GLU  53  59.201  -2.574  -6.300
  439    HA   GLU  53           HA       GLU  53  61.559  -3.264  -4.573
  440   1HB   GLU  53          HB2       GLU  53  59.384  -4.842  -5.025
  441   2HB   GLU  53          HB1       GLU  53  60.406  -5.316  -6.383
  442   1HG   GLU  53          HG2       GLU  53  62.297  -5.516  -4.621
  443   2HG   GLU  53          HG1       GLU  53  60.992  -5.519  -3.434
  444    H    GLU  54           HN       GLU  54  60.480  -2.134  -7.605
  445    HA   GLU  54           HA       GLU  54  62.431  -3.290  -9.356
  446   1HB   GLU  54          HB2       GLU  54  60.350  -1.804  -9.832
  447   2HB   GLU  54          HB1       GLU  54  61.405  -0.439  -9.465
  448   1HG   GLU  54          HG2       GLU  54  62.975  -1.167 -11.219
  449   2HG   GLU  54          HG1       GLU  54  61.934  -2.543 -11.585
  450    H    ARG  55           HN       ARG  55  62.541  -0.847  -6.897
  451    HA   ARG  55           HA       ARG  55  65.057   0.367  -7.591
  452   1HB   ARG  55          HB2       ARG  55  64.884   1.287  -5.378
  453   2HB   ARG  55          HB1       ARG  55  63.220   1.118  -5.939
  454   1HG   ARG  55          HG2       ARG  55  63.048  -1.047  -4.768
  455   2HG   ARG  55          HG1       ARG  55  64.705  -0.863  -4.193
  456   1HD   ARG  55          HD2       ARG  55  64.132   0.753  -2.643
  457   2HD   ARG  55          HD1       ARG  55  62.812   1.389  -3.645
  458    HE   ARG  55           HE       ARG  55  62.330  -1.346  -2.762
  459   1HH1  ARG  55          HH11      ARG  55  62.574   1.795  -1.441
  460   2HH1  ARG  55          HH12      ARG  55  61.097   1.692  -0.542
  461   1HH2  ARG  55          HH21      ARG  55  60.222  -1.409  -1.826
  462   2HH2  ARG  55          HH22      ARG  55  59.765  -0.122  -0.760
  463    H    SER  56           HN       SER  56  64.047  -2.376  -5.567
  464    HA   SER  56           HA       SER  56  66.793  -3.115  -4.879
  465   1HB   SER  56          HB2       SER  56  65.093  -3.681  -3.320
  466   2HB   SER  56          HB1       SER  56  64.022  -4.285  -4.580
  467    HG   SER  56           HG       SER  56  64.854  -6.123  -3.897
  468    H    ARG  57           HN       ARG  57  64.586  -3.717  -7.532
  469    HA   ARG  57           HA       ARG  57  65.597  -6.226  -8.413
  470   1HB   ARG  57          HB2       ARG  57  63.516  -5.221  -9.207
  471   2HB   ARG  57          HB1       ARG  57  64.415  -3.872  -9.906
  472   1HG   ARG  57          HG2       ARG  57  65.425  -5.257 -11.553
  473   2HG   ARG  57          HG1       ARG  57  64.957  -6.734 -10.708
  474   1HD   ARG  57          HD2       ARG  57  62.547  -5.326 -11.179
  475   2HD   ARG  57          HD1       ARG  57  63.466  -5.266 -12.697
  476    HE   ARG  57           HE       ARG  57  63.252  -7.865 -11.255
  477   1HH1  ARG  57          HH11      ARG  57  63.862  -6.451 -14.194
  478   2HH1  ARG  57          HH12      ARG  57  62.802  -7.459 -15.120
  479   1HH2  ARG  57          HH21      ARG  57  61.326  -8.913 -12.339
  480   2HH2  ARG  57          HH22      ARG  57  61.367  -8.853 -14.070
  481    H    LYS  58           HN       LYS  58  66.567  -2.901  -9.230
  482    HA   LYS  58           HA       LYS  58  68.701  -3.768 -11.014
  483   1HB   LYS  58          HB2       LYS  58  67.291  -1.412 -10.355
  484   2HB   LYS  58          HB1       LYS  58  68.972  -1.096  -9.923
  485   1HG   LYS  58          HG2       LYS  58  68.785  -0.468 -12.213
  486   2HG   LYS  58          HG1       LYS  58  69.582  -2.041 -12.223
  487   1HD   LYS  58          HD2       LYS  58  67.675  -3.154 -12.984
  488   2HD   LYS  58          HD1       LYS  58  66.586  -1.900 -12.389
  489   1HE   LYS  58          HE2       LYS  58  66.941  -0.525 -14.230
  490   2HE   LYS  58          HE1       LYS  58  68.569  -1.169 -14.523
  491   1HZ   LYS  58          HZ1       LYS  58  67.771  -2.976 -15.599
  492   2HZ   LYS  58          HZ2       LYS  58  66.458  -1.948 -15.924
  493   3HZ   LYS  58          HZ3       LYS  58  66.367  -3.071 -14.652
  494    H    ILE  59           HN       ILE  59  68.419  -2.659  -7.642
  495    HA   ILE  59           HA       ILE  59  71.258  -2.696  -7.126
  496    HB   ILE  59           HB       ILE  59  69.036  -3.111  -5.119
  497   1HG1  ILE  59          HG12      ILE  59  68.198  -1.314  -6.393
  498   2HG1  ILE  59          HG11      ILE  59  69.069  -0.522  -5.084
  499   1HG2  ILE  59          HG21      ILE  59  70.788  -1.260  -4.129
  500   2HG2  ILE  59          HG22      ILE  59  71.865  -2.266  -5.098
  501   3HG2  ILE  59          HG23      ILE  59  70.898  -2.990  -3.816
  502   1HD1  ILE  59          HD11      ILE  59  71.088  -0.745  -6.815
  503   2HD1  ILE  59          HD12      ILE  59  69.974   0.621  -6.864
  504   3HD1  ILE  59          HD13      ILE  59  69.762  -0.732  -7.976
  505    H    GLN  60           HN       GLN  60  68.720  -5.089  -7.162
  506    HA   GLN  60           HA       GLN  60  70.042  -7.113  -5.591
  507   1HB   GLN  60          HB2       GLN  60  67.672  -7.206  -6.018
  508   2HB   GLN  60          HB1       GLN  60  67.925  -7.127  -7.762
  509   1HG   GLN  60          HG2       GLN  60  69.298  -9.314  -7.432
  510   2HG   GLN  60          HG1       GLN  60  68.458  -9.422  -5.885
  511   1HE2  GLN  60          HE21      GLN  60  68.200 -10.278  -9.145
  512   2HE2  GLN  60          HE22      GLN  60  66.525 -10.546  -9.205
  513    H    GLY  61           HN       GLY  61  69.899  -6.440  -9.098
  514   1HA   GLY  61          HA2       GLY  61  71.733  -8.637  -9.719
  515   2HA   GLY  61          HA1       GLY  61  71.136  -7.431 -10.861
  516    H    LEU  62           HN       LEU  62  72.059  -5.428  -8.607
  517    HA   LEU  62           HA       LEU  62  74.472  -4.588  -9.869
  518   1HB   LEU  62          HB2       LEU  62  72.916  -4.014  -7.397
  519   2HB   LEU  62          HB1       LEU  62  74.584  -3.441  -7.433
  520    HG   LEU  62           HG       LEU  62  72.495  -2.881  -9.552
  521   1HD1  LEU  62          HD11      LEU  62  73.656  -0.613  -8.132
  522   2HD1  LEU  62          HD12      LEU  62  72.816  -1.709  -7.037
  523   3HD1  LEU  62          HD13      LEU  62  71.960  -1.005  -8.410
  524   1HD2  LEU  62          HD21      LEU  62  74.338  -2.527 -10.826
  525   2HD2  LEU  62          HD22      LEU  62  75.414  -2.608  -9.430
  526   3HD2  LEU  62          HD23      LEU  62  74.598  -1.096  -9.828
  527    H    LEU  63           HN       LEU  63  74.110  -6.035  -6.594
  528    HA   LEU  63           HA       LEU  63  76.980  -6.822  -6.756
  529   1HB   LEU  63          HB2       LEU  63  76.941  -6.674  -4.385
  530   2HB   LEU  63          HB1       LEU  63  75.970  -5.325  -4.953
  531    HG   LEU  63           HG       LEU  63  74.521  -7.867  -4.428
  532   1HD1  LEU  63          HD11      LEU  63  75.892  -6.192  -2.331
  533   2HD1  LEU  63          HD12      LEU  63  75.870  -7.940  -2.493
  534   3HD1  LEU  63          HD13      LEU  63  74.424  -7.095  -1.961
  535   1HD2  LEU  63          HD21      LEU  63  74.063  -4.901  -4.179
  536   2HD2  LEU  63          HD22      LEU  63  73.086  -5.995  -3.203
  537   3HD2  LEU  63          HD23      LEU  63  73.052  -6.117  -4.961
  538    H    LYS  64           HN       LYS  64  73.911  -8.157  -7.081
  539    HA   LYS  64           HA       LYS  64  73.259 -10.396  -7.508
  540   1HB   LYS  64          HB2       LYS  64  75.902 -10.212  -8.098
  541   2HB   LYS  64          HB1       LYS  64  75.942 -11.445  -6.836
  542   1HG   LYS  64          HG2       LYS  64  74.117 -12.665  -8.085
  543   2HG   LYS  64          HG1       LYS  64  74.324 -11.504  -9.397
  544   1HD   LYS  64          HD2       LYS  64  76.764 -12.144  -9.470
  545   2HD   LYS  64          HD1       LYS  64  76.399 -13.433  -8.323
  546   1HE   LYS  64          HE2       LYS  64  76.140 -14.596 -10.325
  547   2HE   LYS  64          HE1       LYS  64  74.489 -13.976 -10.130
  548   1HZ   LYS  64          HZ1       LYS  64  75.198 -13.332 -12.283
  549   2HZ   LYS  64          HZ2       LYS  64  76.698 -12.777 -11.708
  550   3HZ   LYS  64          HZ3       LYS  64  75.272 -11.936 -11.324
  551    H    SER  65           HN       SER  65  74.124 -12.766  -6.233
  552    HA   SER  65           HA       SER  65  72.666 -13.230  -4.027
  553   1HB   SER  65          HB2       SER  65  75.634 -13.849  -4.079
  554   2HB   SER  65          HB1       SER  65  74.366 -14.798  -3.309
  555    HG   SER  65           HG       SER  65  74.128 -15.752  -5.154
  556    H    CYS  66           HN       CYS  66  75.787 -11.505  -3.824
  557    HA   CYS  66           HA       CYS  66  75.852 -11.011  -1.060
  558   1HB   CYS  66          HB2       CYS  66  76.575  -9.266  -3.441
  559   2HB   CYS  66          HB1       CYS  66  77.100  -8.943  -1.788
  560    HG   CYS  66           HG       CYS  66  77.877 -11.611  -3.225
  561    H    THR  67           HN       THR  67  73.703  -9.869  -3.516
  562    HA   THR  67           HA       THR  67  72.552  -7.681  -1.909
  563    HB   THR  67           HB       THR  67  72.878  -7.988  -4.540
  564    HG1  THR  67           HG1      THR  67  70.795  -6.812  -3.087
  565   1HG2  THR  67          HG21      THR  67  70.731  -8.737  -5.574
  566   2HG2  THR  67          HG22      THR  67  70.200  -9.290  -3.990
  567   3HG2  THR  67          HG23      THR  67  71.597 -10.039  -4.764
  568    H    ASN  68           HN       ASN  68  71.598 -10.863  -3.205
  569    HA   ASN  68           HA       ASN  68  69.619 -12.156  -2.733
  570   1HB   ASN  68          HB2       ASN  68  70.038 -13.074  -0.547
  571   2HB   ASN  68          HB1       ASN  68  71.590 -12.615  -1.230
  572   1HD2  ASN  68          HD21      ASN  68  72.563 -10.569  -0.488
  573   2HD2  ASN  68          HD22      ASN  68  72.151  -9.935   1.031
  574    HA   PRO  69           HA       PRO  69  66.134 -10.108  -0.945
  575   1HB   PRO  69          HB2       PRO  69  65.701 -10.822   1.687
  576   2HB   PRO  69          HB1       PRO  69  65.270 -11.852   0.305
  577   1HG   PRO  69          HG2       PRO  69  67.700 -11.945   2.043
  578   2HG   PRO  69          HG1       PRO  69  66.687 -13.277   1.454
  579   1HD   PRO  69          HD2       PRO  69  69.024 -12.708   0.290
  580   2HD   PRO  69          HD1       PRO  69  67.631 -13.221  -0.687
  581    H    THR  70           HN       THR  70  66.266  -7.925  -0.617
  582    HA   THR  70           HA       THR  70  67.828  -6.931   1.676
  583    HB   THR  70           HB       THR  70  68.371  -5.226  -0.499
  584    HG1  THR  70           HG1      THR  70  67.506  -7.068  -1.724
  585   1HG2  THR  70          HG21      THR  70  69.808  -7.355   1.028
  586   2HG2  THR  70          HG22      THR  70  70.075  -5.613   1.023
  587   3HG2  THR  70          HG23      THR  70  70.595  -6.592  -0.351
  588    H    GLU  71           HN       GLU  71  65.680  -6.439   2.570
  589    HA   GLU  71           HA       GLU  71  64.313  -4.139   1.230
  590   1HB   GLU  71          HB2       GLU  71  63.302  -6.507   2.075
  591   2HB   GLU  71          HB1       GLU  71  63.117  -5.565   3.555
  592   1HG   GLU  71          HG2       GLU  71  61.653  -4.045   2.568
  593   2HG   GLU  71          HG1       GLU  71  62.249  -4.375   0.940
  594    H    ASN  72           HN       ASN  72  65.715  -5.282   4.273
  595    HA   ASN  72           HA       ASN  72  65.189  -2.760   5.683
  596   1HB   ASN  72          HB2       ASN  72  65.788  -5.417   6.320
  597   2HB   ASN  72          HB1       ASN  72  67.248  -4.534   6.766
  598   1HD2  ASN  72          HD21      ASN  72  66.238  -5.338   9.012
  599   2HD2  ASN  72          HD22      ASN  72  65.223  -4.215   9.780
  600    H    PHE  73           HN       PHE  73  67.691  -4.168   3.720
  601    HA   PHE  73           HA       PHE  73  69.820  -2.349   4.529
  602   1HB   PHE  73          HB2       PHE  73  70.097  -4.671   3.571
  603   2HB   PHE  73          HB1       PHE  73  69.497  -4.055   2.033
  604    HD1  PHE  73           HD1      PHE  73  72.389  -4.619   3.997
  605    HD2  PHE  73           HD2      PHE  73  70.723  -1.905   1.119
  606    HE1  PHE  73           HE1      PHE  73  74.669  -3.840   3.412
  607    HE2  PHE  73           HE2      PHE  73  72.998  -1.129   0.533
  608    HZ   PHE  73           HZ       PHE  73  74.974  -2.092   1.678
  609    H    VAL  74           HN       VAL  74  67.468  -2.596   1.882
  610    HA   VAL  74           HA       VAL  74  68.361  -0.247   0.458
  611    HB   VAL  74           HB       VAL  74  66.994  -1.897  -0.639
  612   1HG1  VAL  74          HG11      VAL  74  64.612  -2.269   0.224
  613   2HG1  VAL  74          HG12      VAL  74  65.140  -1.473   1.705
  614   3HG1  VAL  74          HG13      VAL  74  65.909  -2.973   1.188
  615   1HG2  VAL  74          HG21      VAL  74  66.349   0.125  -1.593
  616   2HG2  VAL  74          HG22      VAL  74  65.671   0.738  -0.085
  617   3HG2  VAL  74          HG23      VAL  74  64.794  -0.476  -1.016
  618    H    GLN  75           HN       GLN  75  66.205  -0.876   3.175
  619    HA   GLN  75           HA       GLN  75  64.905   1.678   3.328
  620   1HB   GLN  75          HB2       GLN  75  64.240  -0.361   4.562
  621   2HB   GLN  75          HB1       GLN  75  65.746  -0.301   5.478
  622   1HG   GLN  75          HG2       GLN  75  65.074   1.523   6.735
  623   2HG   GLN  75          HG1       GLN  75  64.001   2.129   5.472
  624   1HE2  GLN  75          HE21      GLN  75  61.850   1.925   6.081
  625   2HE2  GLN  75          HE22      GLN  75  61.208   0.648   6.996
  626    H    GLU  76           HN       GLU  76  67.965   0.446   4.660
  627    HA   GLU  76           HA       GLU  76  68.717   2.732   6.184
  628   1HB   GLU  76          HB2       GLU  76  69.987   0.386   4.857
  629   2HB   GLU  76          HB1       GLU  76  71.064   1.700   5.336
  630   1HG   GLU  76          HG2       GLU  76  70.983   0.302   7.233
  631   2HG   GLU  76          HG1       GLU  76  69.853   1.598   7.614
  632    H    LEU  77           HN       LEU  77  69.527   1.804   2.823
  633    HA   LEU  77           HA       LEU  77  71.018   3.955   1.916
  634   1HB   LEU  77          HB2       LEU  77  69.625   1.884   0.807
  635   2HB   LEU  77          HB1       LEU  77  68.632   3.245   0.285
  636    HG   LEU  77           HG       LEU  77  70.229   3.015  -1.445
  637   1HD1  LEU  77          HD11      LEU  77  70.062   5.325  -0.196
  638   2HD1  LEU  77          HD12      LEU  77  71.313   5.085  -1.417
  639   3HD1  LEU  77          HD13      LEU  77  71.717   4.961   0.296
  640   1HD2  LEU  77          HD21      LEU  77  72.505   2.979   0.526
  641   2HD2  LEU  77          HD22      LEU  77  72.490   2.422  -1.145
  642   3HD2  LEU  77          HD23      LEU  77  71.667   1.487   0.103
  643    H    LEU  78           HN       LEU  78  67.582   3.755   2.531
  644    HA   LEU  78           HA       LEU  78  66.682   6.285   1.664
  645   1HB   LEU  78          HB2       LEU  78  65.675   4.064   2.856
  646   2HB   LEU  78          HB1       LEU  78  65.665   5.173   4.225
  647    HG   LEU  78           HG       LEU  78  64.310   6.770   2.997
  648   1HD1  LEU  78          HD11      LEU  78  64.212   6.823   0.741
  649   2HD1  LEU  78          HD12      LEU  78  63.731   5.128   0.662
  650   3HD1  LEU  78          HD13      LEU  78  65.439   5.556   0.740
  651   1HD2  LEU  78          HD21      LEU  78  63.260   3.942   2.642
  652   2HD2  LEU  78          HD22      LEU  78  62.275   5.404   2.649
  653   3HD2  LEU  78          HD23      LEU  78  63.127   4.909   4.111
  654    H    VAL  79           HN       VAL  79  67.604   5.408   5.017
  655    HA   VAL  79           HA       VAL  79  67.579   8.108   5.995
  656    HB   VAL  79           HB       VAL  79  68.765   5.478   6.862
  657   1HG1  VAL  79          HG11      VAL  79  70.320   7.347   7.549
  658   2HG1  VAL  79          HG12      VAL  79  69.594   6.490   8.907
  659   3HG1  VAL  79          HG13      VAL  79  68.974   8.070   8.429
  660   1HG2  VAL  79          HG21      VAL  79  66.904   7.189   8.466
  661   2HG2  VAL  79          HG22      VAL  79  66.983   5.432   8.344
  662   3HG2  VAL  79          HG23      VAL  79  66.261   6.375   7.040
  663    H    LYS  80           HN       LYS  80  69.784   6.614   3.866
  664    HA   LYS  80           HA       LYS  80  71.978   8.479   4.700
  665   1HB   LYS  80          HB2       LYS  80  72.944   6.399   4.742
  666   2HB   LYS  80          HB1       LYS  80  71.786   5.728   3.595
  667   1HG   LYS  80          HG2       LYS  80  74.109   5.890   2.669
  668   2HG   LYS  80          HG1       LYS  80  72.925   6.805   1.736
  669   1HD   LYS  80          HD2       LYS  80  73.678   8.711   3.501
  670   2HD   LYS  80          HD1       LYS  80  75.172   7.777   3.417
  671   1HE   LYS  80          HE2       LYS  80  74.562   7.907   0.771
  672   2HE   LYS  80          HE1       LYS  80  73.888   9.451   1.329
  673   1HZ   LYS  80          HZ1       LYS  80  76.615   8.432   1.912
  674   2HZ   LYS  80          HZ2       LYS  80  75.964   9.885   2.501
  675   3HZ   LYS  80          HZ3       LYS  80  76.241   9.687   0.836
  676    H    LEU  81           HN       LEU  81  70.087   7.354   1.891
  677    HA   LEU  81           HA       LEU  81  71.347   8.510  -0.262
  678   1HB   LEU  81          HB2       LEU  81  69.361   7.985  -1.196
  679   2HB   LEU  81          HB1       LEU  81  68.791   7.592   0.425
  680    HG   LEU  81           HG       LEU  81  68.291  10.102   0.667
  681   1HD1  LEU  81          HD11      LEU  81  68.966  11.399  -1.050
  682   2HD1  LEU  81          HD12      LEU  81  67.722  10.631  -2.036
  683   3HD1  LEU  81          HD13      LEU  81  69.361   9.985  -2.025
  684   1HD2  LEU  81          HD21      LEU  81  66.111   9.838  -0.426
  685   2HD2  LEU  81          HD22      LEU  81  66.574   8.322   0.349
  686   3HD2  LEU  81          HD23      LEU  81  66.740   8.507  -1.397
  687    H    ARG  82           HN       ARG  82  69.959  10.272   2.431
  688    HA   ARG  82           HA       ARG  82  69.933  12.833   0.998
  689   1HB   ARG  82          HB2       ARG  82  68.517  11.872   3.033
  690   2HB   ARG  82          HB1       ARG  82  69.836  12.558   3.982
  691   1HG   ARG  82          HG2       ARG  82  69.471  14.753   2.996
  692   2HG   ARG  82          HG1       ARG  82  68.250  14.097   1.905
  693   1HD   ARG  82          HD2       ARG  82  67.136  13.283   4.187
  694   2HD   ARG  82          HD1       ARG  82  68.056  14.653   4.842
  695    HE   ARG  82           HE       ARG  82  66.923  15.724   2.579
  696   1HH1  ARG  82          HH21      ARG  82  66.004  14.922   5.716
  697   2HH1  ARG  82          HH22      ARG  82  64.311  15.194   5.475
  698   1HH2  ARG  82          HH11      ARG  82  64.598  15.641   2.048
  699   2HH2  ARG  82          HH12      ARG  82  63.514  15.601   3.399
  700    H    GLY  83           HN       GLY  83  72.240  10.996   2.842
  701   1HA   GLY  83          HA2       GLY  83  73.887  13.018   3.909
  702   2HA   GLY  83          HA1       GLY  83  74.496  11.468   3.318
  703    H    LEU  84           HN       LEU  84  75.309  11.340   1.181
  704    HA   LEU  84           HA       LEU  84  75.435  13.909  -0.341
  705   1HB   LEU  84          HB2       LEU  84  77.730  12.009   0.231
  706   2HB   LEU  84          HB1       LEU  84  77.836  13.533  -0.652
  707    HG   LEU  84           HG       LEU  84  77.009  13.226   2.249
  708   1HD1  LEU  84          HD11      LEU  84  79.584  13.632   0.899
  709   2HD1  LEU  84          HD12      LEU  84  79.255  13.171   2.569
  710   3HD1  LEU  84          HD13      LEU  84  79.234  14.871   2.104
  711   1HD2  LEU  84          HD21      LEU  84  76.525  15.300   0.336
  712   2HD2  LEU  84          HD22      LEU  84  77.705  15.897   1.504
  713   3HD2  LEU  84          HD23      LEU  84  76.142  15.297   2.059
  714    H    HIS  85           HN       HIS  85  74.405  10.812  -0.378
  715    HA   HIS  85           HA       HIS  85  73.692   9.433  -2.158
  716   1HB   HIS  85          HB2       HIS  85  74.442  12.031  -3.351
  717   2HB   HIS  85          HB1       HIS  85  74.509  10.676  -4.472
  718    HD1  HIS  85           HD1      HIS  85  72.106  12.333  -2.040
  719    HD2  HIS  85           HD2      HIS  85  72.018   9.826  -5.370
  720    HE1  HIS  85           HE1      HIS  85  69.671  12.101  -2.697
  721    H    LYS  86           HN       LYS  86  76.543   9.382  -0.957
  722    HA   LYS  86           HA       LYS  86  77.582   7.322  -2.591
  723   1HB   LYS  86          HB2       LYS  86  79.479   8.635  -3.627
  724   2HB   LYS  86          HB1       LYS  86  77.889   9.068  -4.252
  725   1HG   LYS  86          HG2       LYS  86  77.786  11.011  -2.799
  726   2HG   LYS  86          HG1       LYS  86  79.283  10.534  -1.999
  727   1HD   LYS  86          HD2       LYS  86  80.169  10.586  -4.537
  728   2HD   LYS  86          HD1       LYS  86  78.880  11.785  -4.668
  729   1HE   LYS  86          HE2       LYS  86  79.834  13.049  -2.778
  730   2HE   LYS  86          HE1       LYS  86  81.121  11.837  -2.613
  731   1HZ   LYS  86          HZ1       LYS  86  81.987  13.521  -4.001
  732   2HZ   LYS  86          HZ2       LYS  86  80.570  13.598  -4.935
  733   3HZ   LYS  86          HZ3       LYS  86  81.584  12.239  -5.034