NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id cing stage position program type
5344 1h8m cing 1-original 1 MR format nomenclature mapping


  Entry H atom name         Submitted Coord H atom name
    1    H1   MET   1           H1       MET   1 216.628  16.847  -3.190
    2    H2   MET   1           H2       MET   1 215.841  17.084  -4.696
    3    H3   MET   1           H3       MET   1 216.093  15.497  -4.100
    4    HA   MET   1           HA       MET   1 217.687  15.782  -5.713
    5   1HB   MET   1          1HB       MET   1 217.957  18.513  -4.470
    6   2HB   MET   1          2HB       MET   1 219.217  17.860  -5.506
    7   1HG   MET   1          1HG       MET   1 217.971  18.055  -7.390
    8   2HG   MET   1          2HG       MET   1 216.443  17.822  -6.542
    9   1HE   MET   1          1HE       MET   1 218.858  20.209  -8.144
   10   2HE   MET   1          2HE       MET   1 218.656  21.747  -7.305
   11   3HE   MET   1          3HE       MET   1 219.497  20.414  -6.513
   12    H    ARG   2           H        ARG   2 217.608  14.498  -3.152
   13    HA   ARG   2           HA       ARG   2 220.444  14.170  -2.707
   14   1HB   ARG   2          1HB       ARG   2 218.631  15.405  -0.661
   15   2HB   ARG   2          2HB       ARG   2 219.973  14.398  -0.141
   16   1HG   ARG   2          1HG       ARG   2 221.257  16.195  -0.236
   17   2HG   ARG   2          2HG       ARG   2 221.079  16.164  -1.990
   18   1HD   ARG   2          1HD       ARG   2 218.959  17.496  -1.679
   19   2HD   ARG   2          2HD       ARG   2 219.426  17.691   0.009
   20    HE   ARG   2           HE       ARG   2 221.499  18.482  -1.794
   21   1HH1  ARG   2          1HH1      ARG   2 218.524  19.552  -0.288
   22   2HH1  ARG   2          2HH1      ARG   2 218.926  21.231  -0.404
   23   1HH2  ARG   2          1HH2      ARG   2 222.023  20.696  -1.944
   24   2HH2  ARG   2          2HH2      ARG   2 220.912  21.882  -1.345
   25    H    ILE   3           H        ILE   3 220.961  12.293  -1.439
   26    HA   ILE   3           HA       ILE   3 219.185  10.116  -1.851
   27    HB   ILE   3           HB       ILE   3 221.605   9.788  -1.852
   28   1HG1  ILE   3          1HG1      ILE   3 220.385   8.282   0.464
   29   2HG1  ILE   3          2HG1      ILE   3 220.087   7.907  -1.232
   30   1HG2  ILE   3          1HG2      ILE   3 221.534  11.321   0.499
   31   2HG2  ILE   3          2HG2      ILE   3 222.105   9.724   0.974
   32   3HG2  ILE   3          3HG2      ILE   3 222.946  10.621  -0.289
   33   1HD1  ILE   3          1HD1      ILE   3 222.656   7.757  -1.401
   34   2HD1  ILE   3          2HD1      ILE   3 222.593   7.607   0.354
   35   3HD1  ILE   3          3HD1      ILE   3 221.760   6.432  -0.662
   36    H    TYR   4           H        TYR   4 217.714   9.187  -0.526
   37    HA   TYR   4           HA       TYR   4 217.298  10.507   2.057
   38   1HB   TYR   4          1HB       TYR   4 215.322   8.934   0.403
   39   2HB   TYR   4          2HB       TYR   4 214.965   9.822   1.881
   40    HD1  TYR   4           HD1      TYR   4 214.640   9.970  -1.538
   41    HD2  TYR   4           HD2      TYR   4 215.921  12.389   1.721
   42    HE1  TYR   4           HE1      TYR   4 214.197  11.990  -2.868
   43    HE2  TYR   4           HE2      TYR   4 215.478  14.413   0.400
   44    HH   TYR   4           HH       TYR   4 215.375  14.957  -2.160
   45    H    TYR   5           H        TYR   5 217.916   7.338   0.673
   46    HA   TYR   5           HA       TYR   5 218.210   6.332   3.370
   47   1HB   TYR   5          1HB       TYR   5 215.863   5.871   2.963
   48   2HB   TYR   5          2HB       TYR   5 216.259   5.053   1.457
   49    HD1  TYR   5           HD1      TYR   5 215.811   4.682   4.992
   50    HD2  TYR   5           HD2      TYR   5 217.669   2.910   1.602
   51    HE1  TYR   5           HE1      TYR   5 216.005   2.553   6.207
   52    HE2  TYR   5           HE2      TYR   5 217.864   0.783   2.804
   53    HH   TYR   5           HH       TYR   5 216.219  -0.125   5.207
   54    H    ILE   6           H        ILE   6 219.438   4.533   3.611
   55    HA   ILE   6           HA       ILE   6 220.520   3.210   1.257
   56    HB   ILE   6           HB       ILE   6 222.091   4.926   3.096
   57   1HG1  ILE   6          1HG1      ILE   6 222.058   4.160   0.210
   58   2HG1  ILE   6          2HG1      ILE   6 221.992   5.757   0.941
   59   1HG2  ILE   6          1HG2      ILE   6 222.880   2.646   3.661
   60   2HG2  ILE   6          2HG2      ILE   6 223.326   2.431   1.969
   61   3HG2  ILE   6          3HG2      ILE   6 224.114   3.675   2.938
   62   1HD1  ILE   6          1HD1      ILE   6 224.489   4.705   1.636
   63   2HD1  ILE   6          2HD1      ILE   6 224.241   4.309  -0.064
   64   3HD1  ILE   6          3HD1      ILE   6 224.135   5.984   0.476
   65    H    GLY   7           H        GLY   7 221.705   1.216   1.908
   66   1HA   GLY   7          1HA       GLY   7 220.154  -0.123   3.916
   67   2HA   GLY   7          2HA       GLY   7 221.816   0.125   4.410
   68    H    VAL   8           H        VAL   8 220.742  -2.342   4.236
   69    HA   VAL   8           HA       VAL   8 221.542  -3.561   1.730
   70    HB   VAL   8           HB       VAL   8 222.781  -4.802   4.108
   71   1HG1  VAL   8          1HG1      VAL   8 222.928  -5.709   1.786
   72   2HG1  VAL   8          2HG1      VAL   8 223.867  -4.286   1.339
   73   3HG1  VAL   8          3HG1      VAL   8 224.499  -5.420   2.531
   74   1HG2  VAL   8          1HG2      VAL   8 223.249  -2.279   4.237
   75   2HG2  VAL   8          2HG2      VAL   8 224.618  -3.384   4.327
   76   3HG2  VAL   8          3HG2      VAL   8 224.264  -2.538   2.821
   77    H    PHE   9           H        PHE   9 220.557  -5.577   1.430
   78    HA   PHE   9           HA       PHE   9 219.252  -6.904   3.638
   79   1HB   PHE   9          1HB       PHE   9 217.369  -6.217   1.436
   80   2HB   PHE   9          2HB       PHE   9 217.038  -6.560   3.124
   81    HD1  PHE   9           HD1      PHE   9 216.187  -4.833   4.326
   82    HD2  PHE   9           HD2      PHE   9 218.887  -3.955   1.158
   83    HE1  PHE   9           HE1      PHE   9 215.899  -2.431   4.751
   84    HE2  PHE   9           HE2      PHE   9 218.589  -1.550   1.572
   85    HZ   PHE   9           HZ       PHE   9 217.105  -0.793   3.374
   86    H    ARG  10           H        ARG  10 219.371  -9.014   3.325
   87    HA   ARG  10           HA       ARG  10 220.170 -10.075   0.768
   88   1HB   ARG  10          1HB       ARG  10 221.139 -11.169   2.620
   89   2HB   ARG  10          2HB       ARG  10 219.602 -11.295   3.460
   90   1HG   ARG  10          1HG       ARG  10 219.609 -12.676   0.896
   91   2HG   ARG  10          2HG       ARG  10 220.821 -13.285   2.020
   92   1HD   ARG  10          1HD       ARG  10 219.185 -13.758   3.669
   93   2HD   ARG  10          2HD       ARG  10 217.946 -12.862   2.793
   94    HE   ARG  10           HE       ARG  10 218.509 -14.748   1.024
   95   1HH1  ARG  10          1HH1      ARG  10 218.026 -15.032   4.483
   96   2HH1  ARG  10          2HH1      ARG  10 217.419 -16.650   4.386
   97   1HH2  ARG  10          1HH2      ARG  10 217.707 -16.876   0.907
   98   2HH2  ARG  10          2HH2      ARG  10 217.238 -17.697   2.358
   99    H    SER  11           H        SER  11 218.906 -11.079  -0.733
  100    HA   SER  11           HA       SER  11 216.100 -10.716  -0.634
  101   1HB   SER  11          1HB       SER  11 217.184 -12.750  -2.503
  102   2HB   SER  11          2HB       SER  11 216.067 -11.420  -2.803
  103    HG   SER  11           HG       SER  11 218.640 -11.498  -3.338
  104    H    GLY  12           H        GLY  12 215.031 -11.731   0.967
  105   1HA   GLY  12          1HA       GLY  12 214.420 -13.459   2.414
  106   2HA   GLY  12          2HA       GLY  12 215.566 -14.515   1.603
  107    H    GLY  13           H        GLY  13 212.335 -13.896   2.096
  108   1HA   GLY  13          1HA       GLY  13 210.758 -15.558   1.280
  109   2HA   GLY  13          2HA       GLY  13 211.608 -15.528  -0.258
  110    H    GLU  14           H        GLU  14 209.219 -14.011   1.735
  111    HA   GLU  14           HA       GLU  14 207.936 -12.789  -0.480
  112   1HB   GLU  14          1HB       GLU  14 207.434 -13.109   2.376
  113   2HB   GLU  14          2HB       GLU  14 206.902 -11.545   1.774
  114   1HG   GLU  14          1HG       GLU  14 205.374 -12.489   0.302
  115   2HG   GLU  14          2HG       GLU  14 206.156 -14.068   0.352
  116    H    LYS  15           H        LYS  15 210.167 -11.616   1.961
  117    HA   LYS  15           HA       LYS  15 210.390  -9.095   0.497
  118   1HB   LYS  15          1HB       LYS  15 210.560  -7.843   2.594
  119   2HB   LYS  15          2HB       LYS  15 209.007  -8.656   2.475
  120   1HG   LYS  15          1HG       LYS  15 211.227 -10.018   3.917
  121   2HG   LYS  15          2HG       LYS  15 210.388  -8.680   4.703
  122   1HD   LYS  15          1HD       LYS  15 208.691 -10.745   3.432
  123   2HD   LYS  15          2HD       LYS  15 209.576 -11.231   4.878
  124   1HE   LYS  15          1HE       LYS  15 208.565  -9.502   6.171
  125   2HE   LYS  15          2HE       LYS  15 207.864  -8.758   4.734
  126   1HZ   LYS  15          1HZ       LYS  15 206.483 -10.733   4.445
  127   2HZ   LYS  15          2HZ       LYS  15 207.139 -11.415   5.848
  128   3HZ   LYS  15          3HZ       LYS  15 206.208 -10.006   5.949
  129    H    ALA  16           H        ALA  16 212.410  -7.880   1.727
  130    HA   ALA  16           HA       ALA  16 214.612  -9.771   1.368
  131   1HB   ALA  16          1HB       ALA  16 216.013  -7.855   1.036
  132   2HB   ALA  16          2HB       ALA  16 214.724  -6.771   1.555
  133   3HB   ALA  16          3HB       ALA  16 214.562  -7.678   0.052
  134    H    LEU  17           H        LEU  17 215.865 -10.445   2.984
  135    HA   LEU  17           HA       LEU  17 215.238  -9.905   5.675
  136   1HB   LEU  17          1HB       LEU  17 216.476 -11.927   4.589
  137   2HB   LEU  17          2HB       LEU  17 217.915 -10.954   4.823
  138    HG   LEU  17           HG       LEU  17 216.206 -11.243   7.208
  139   1HD1  LEU  17          1HD1      LEU  17 217.698 -13.595   6.058
  140   2HD1  LEU  17          2HD1      LEU  17 217.051 -13.503   7.696
  141   3HD1  LEU  17          3HD1      LEU  17 215.958 -13.473   6.312
  142   1HD2  LEU  17          1HD2      LEU  17 219.121 -11.224   6.537
  143   2HD2  LEU  17          2HD2      LEU  17 218.211 -10.155   7.605
  144   3HD2  LEU  17          3HD2      LEU  17 218.568 -11.808   8.106
  145    H    GLU  18           H        GLU  18 215.415  -7.860   6.384
  146    HA   GLU  18           HA       GLU  18 217.090  -5.868   5.544
  147   1HB   GLU  18          1HB       GLU  18 215.361  -6.319   7.815
  148   2HB   GLU  18          2HB       GLU  18 216.772  -5.379   8.280
  149   1HG   GLU  18          1HG       GLU  18 216.259  -3.651   6.799
  150   2HG   GLU  18          2HG       GLU  18 215.147  -4.655   5.872
  151    H    LEU  19           H        LEU  19 219.210  -6.080   5.282
  152    HA   LEU  19           HA       LEU  19 220.911  -7.448   7.157
  153   1HB   LEU  19          1HB       LEU  19 221.081  -6.789   4.483
  154   2HB   LEU  19          2HB       LEU  19 222.231  -5.712   5.245
  155    HG   LEU  19           HG       LEU  19 223.315  -7.698   6.292
  156   1HD1  LEU  19          1HD1      LEU  19 221.143  -9.092   5.893
  157   2HD1  LEU  19          2HD1      LEU  19 221.873  -9.414   4.321
  158   3HD1  LEU  19          3HD1      LEU  19 222.723  -9.866   5.798
  159   1HD2  LEU  19          1HD2      LEU  19 223.147  -7.559   3.289
  160   2HD2  LEU  19          2HD2      LEU  19 224.282  -6.709   4.336
  161   3HD2  LEU  19          3HD2      LEU  19 224.371  -8.462   4.179
  162    H    SER  20           H        SER  20 220.550  -4.095   6.055
  163    HA   SER  20           HA       SER  20 221.060  -3.103   8.682
  164   1HB   SER  20          1HB       SER  20 223.042  -1.915   8.359
  165   2HB   SER  20          2HB       SER  20 223.365  -3.464   7.583
  166    HG   SER  20           HG       SER  20 224.002  -1.800   6.218
  167    H    GLU  21           H        GLU  21 220.354  -0.907   8.946
  168    HA   GLU  21           HA       GLU  21 219.107   0.246   6.543
  169   1HB   GLU  21          1HB       GLU  21 217.754   0.098   9.235
  170   2HB   GLU  21          2HB       GLU  21 217.068   0.715   7.740
  171   1HG   GLU  21          1HG       GLU  21 216.123  -1.346   7.762
  172   2HG   GLU  21          2HG       GLU  21 217.606  -1.724   6.890
  173    H    VAL  22           H        VAL  22 219.961   2.157   6.193
  174    HA   VAL  22           HA       VAL  22 220.366   4.005   8.447
  175    HB   VAL  22           HB       VAL  22 222.492   3.248   7.401
  176   1HG1  VAL  22          1HG1      VAL  22 221.390   4.597   4.959
  177   2HG1  VAL  22          2HG1      VAL  22 223.085   4.165   5.177
  178   3HG1  VAL  22          3HG1      VAL  22 221.854   2.906   5.144
  179   1HG2  VAL  22          1HG2      VAL  22 222.283   5.458   8.504
  180   2HG2  VAL  22          2HG2      VAL  22 223.502   5.433   7.231
  181   3HG2  VAL  22          3HG2      VAL  22 221.929   6.172   6.931
  182    H    LYS  23           H        LYS  23 219.414   6.016   8.238
  183    HA   LYS  23           HA       LYS  23 218.070   6.556   5.665
  184   1HB   LYS  23          1HB       LYS  23 216.998   7.165   8.420
  185   2HB   LYS  23          2HB       LYS  23 216.205   7.542   6.898
  186   1HG   LYS  23          1HG       LYS  23 215.140   5.603   7.148
  187   2HG   LYS  23          2HG       LYS  23 216.663   4.840   6.688
  188   1HD   LYS  23          1HD       LYS  23 217.222   5.051   9.223
  189   2HD   LYS  23          2HD       LYS  23 215.474   5.212   9.407
  190   1HE   LYS  23          1HE       LYS  23 215.213   3.085   8.136
  191   2HE   LYS  23          2HE       LYS  23 216.967   2.913   8.151
  192   1HZ   LYS  23          1HZ       LYS  23 215.241   3.060  10.565
  193   2HZ   LYS  23          2HZ       LYS  23 215.904   1.643   9.924
  194   3HZ   LYS  23          3HZ       LYS  23 216.919   2.839  10.555
  195    H    ASP  24           H        ASP  24 217.535   8.719   5.202
  196    HA   ASP  24           HA       ASP  24 219.145  10.748   6.589
  197   1HB   ASP  24          1HB       ASP  24 219.668   9.862   4.009
  198   2HB   ASP  24          2HB       ASP  24 218.681  11.294   3.744
  199    H    LEU  25           H        LEU  25 217.614  11.862   7.623
  200    HA   LEU  25           HA       LEU  25 215.150  12.559   6.183
  201   1HB   LEU  25          1HB       LEU  25 215.483  12.562   9.174
  202   2HB   LEU  25          2HB       LEU  25 213.991  12.598   8.253
  203    HG   LEU  25           HG       LEU  25 215.794  10.223   8.006
  204   1HD1  LEU  25          1HD1      LEU  25 215.117  11.009  10.491
  205   2HD1  LEU  25          2HD1      LEU  25 213.697  10.053  10.063
  206   3HD1  LEU  25          3HD1      LEU  25 215.302   9.324  10.005
  207   1HD2  LEU  25          1HD2      LEU  25 212.862  10.786   7.705
  208   2HD2  LEU  25          2HD2      LEU  25 213.998  10.159   6.512
  209   3HD2  LEU  25          3HD2      LEU  25 213.481   9.142   7.856
  210    H    SER  26           H        SER  26 216.459  14.283   5.242
  211    HA   SER  26           HA       SER  26 217.158  16.492   7.009
  212   1HB   SER  26          1HB       SER  26 217.462  16.196   4.012
  213   2HB   SER  26          2HB       SER  26 218.074  17.545   4.968
  214    HG   SER  26           HG       SER  26 219.737  16.099   4.721
  215    H    GLN  27           H        GLN  27 215.061  16.001   4.153
  216    HA   GLN  27           HA       GLN  27 213.806  18.577   4.513
  217   1HB   GLN  27          1HB       GLN  27 213.243  16.311   2.598
  218   2HB   GLN  27          2HB       GLN  27 212.391  17.848   2.579
  219   1HG   GLN  27          1HG       GLN  27 215.375  17.715   2.349
  220   2HG   GLN  27          2HG       GLN  27 214.329  17.511   0.945
  221   2HE2  GLN  27          2HE2      GLN  27 213.227  19.266   0.125
  222   1HE2  GLN  27          1HE2      GLN  27 213.534  20.888   0.636
  223    H    PHE  28           H        PHE  28 213.198  15.380   5.637
  224    HA   PHE  28           HA       PHE  28 210.360  15.827   6.067
  225   1HB   PHE  28          1HB       PHE  28 211.758  13.491   7.275
  226   2HB   PHE  28          2HB       PHE  28 210.181  13.579   6.493
  227    HD1  PHE  28           HD1      PHE  28 210.277  14.132   3.907
  228    HD2  PHE  28           HD2      PHE  28 213.466  12.459   6.163
  229    HE1  PHE  28           HE1      PHE  28 211.290  13.281   1.833
  230    HE2  PHE  28           HE2      PHE  28 214.483  11.604   4.097
  231    HZ   PHE  28           HZ       PHE  28 213.402  12.018   1.933
  232    H    GLY  29           H        GLY  29 209.485  16.631   7.874
  233   1HA   GLY  29          1HA       GLY  29 209.315  17.566   9.961
  234   2HA   GLY  29          2HA       GLY  29 211.063  17.716   9.945
  235    H    PHE  30           H        PHE  30 210.084  17.288  12.329
  236    HA   PHE  30           HA       PHE  30 211.287  14.927  13.216
  237   1HB   PHE  30          1HB       PHE  30 210.281  15.421  15.406
  238   2HB   PHE  30          2HB       PHE  30 210.990  16.856  14.679
  239    HD1  PHE  30           HD1      PHE  30 207.879  15.203  15.662
  240    HD2  PHE  30           HD2      PHE  30 209.604  18.696  13.947
  241    HE1  PHE  30           HE1      PHE  30 205.751  16.398  15.963
  242    HE2  PHE  30           HE2      PHE  30 207.478  19.896  14.245
  243    HZ   PHE  30           HZ       PHE  30 205.548  18.747  15.254
  244    H    PHE  31           H        PHE  31 207.916  15.599  12.430
  245    HA   PHE  31           HA       PHE  31 207.090  12.942  13.283
  246   1HB   PHE  31          1HB       PHE  31 204.825  13.667  12.797
  247   2HB   PHE  31          2HB       PHE  31 205.637  14.897  13.757
  248    HD1  PHE  31           HD1      PHE  31 206.268  17.037  12.759
  249    HD2  PHE  31           HD2      PHE  31 204.151  14.090  10.534
  250    HE1  PHE  31           HE1      PHE  31 205.686  18.732  11.076
  251    HE2  PHE  31           HE2      PHE  31 203.567  15.781   8.845
  252    HZ   PHE  31           HZ       PHE  31 204.334  18.105   9.115
  253    H    GLU  32           H        GLU  32 207.564  14.796  10.320
  254    HA   GLU  32           HA       GLU  32 206.440  12.905   8.539
  255   1HB   GLU  32          1HB       GLU  32 207.157  15.427   8.211
  256   2HB   GLU  32          2HB       GLU  32 208.669  14.702   7.685
  257   1HG   GLU  32          1HG       GLU  32 207.396  13.373   6.025
  258   2HG   GLU  32          2HG       GLU  32 205.941  14.247   6.503
  259    H    ARG  33           H        ARG  33 209.781  13.503   9.599
  260    HA   ARG  33           HA       ARG  33 211.164  11.733   8.020
  261   1HB   ARG  33          1HB       ARG  33 212.877  11.711   9.693
  262   2HB   ARG  33          2HB       ARG  33 212.158  13.313   9.678
  263   1HG   ARG  33          1HG       ARG  33 210.762  12.603  11.633
  264   2HG   ARG  33          2HG       ARG  33 211.725  11.127  11.697
  265   1HD   ARG  33          1HD       ARG  33 213.182  13.709  11.624
  266   2HD   ARG  33          2HD       ARG  33 212.330  13.302  13.113
  267    HE   ARG  33           HE       ARG  33 213.828  11.076  12.342
  268   1HH1  ARG  33          1HH1      ARG  33 214.369  14.349  13.458
  269   2HH1  ARG  33          2HH1      ARG  33 215.887  13.976  14.201
  270   1HH2  ARG  33          1HH2      ARG  33 215.828  10.589  13.322
  271   2HH2  ARG  33          2HH2      ARG  33 216.717  11.841  14.123
  272    H    SER  34           H        SER  34 209.205  10.999  10.860
  273    HA   SER  34           HA       SER  34 210.036   8.319  11.196
  274   1HB   SER  34          1HB       SER  34 208.741   9.713  12.866
  275   2HB   SER  34          2HB       SER  34 207.308   9.441  11.875
  276    HG   SER  34           HG       SER  34 208.703   7.683  13.517
  277    H    SER  35           H        SER  35 207.177   9.697   9.566
  278    HA   SER  35           HA       SER  35 206.180   7.265   8.559
  279   1HB   SER  35          1HB       SER  35 205.811   9.991   7.300
  280   2HB   SER  35          2HB       SER  35 204.740   8.597   7.168
  281    HG   SER  35           HG       SER  35 204.975  10.460   9.181
  282    H    VAL  36           H        VAL  36 208.311   9.717   7.088
  283    HA   VAL  36           HA       VAL  36 208.532   8.413   4.584
  284    HB   VAL  36           HB       VAL  36 210.747  10.133   5.655
  285   1HG1  VAL  36          1HG1      VAL  36 210.758   8.930   3.402
  286   2HG1  VAL  36          2HG1      VAL  36 209.531  10.098   2.913
  287   3HG1  VAL  36          3HG1      VAL  36 211.130  10.654   3.406
  288   1HG2  VAL  36          1HG2      VAL  36 207.973  10.921   5.383
  289   2HG2  VAL  36          2HG2      VAL  36 209.342  11.824   6.032
  290   3HG2  VAL  36          3HG2      VAL  36 209.017  11.841   4.300
  291    H    GLY  37           H        GLY  37 210.382   8.172   7.594
  292   1HA   GLY  37          1HA       GLY  37 211.909   6.594   8.293
  293   2HA   GLY  37          2HA       GLY  37 212.555   6.671   6.656
  294    H    GLN  38           H        GLN  38 209.369   5.625   7.845
  295    HA   GLN  38           HA       GLN  38 209.793   2.850   7.560
  296   1HB   GLN  38          1HB       GLN  38 207.903   3.704   8.835
  297   2HB   GLN  38          2HB       GLN  38 207.244   4.480   7.402
  298   1HG   GLN  38          1HG       GLN  38 206.049   2.429   7.985
  299   2HG   GLN  38          2HG       GLN  38 206.800   2.333   6.393
  300   2HE2  GLN  38          2HE2      GLN  38 207.295   1.454   9.787
  301   1HE2  GLN  38          1HE2      GLN  38 208.183   0.007   9.464
  302    H    PHE  39           H        PHE  39 208.664   5.365   5.357
  303    HA   PHE  39           HA       PHE  39 207.929   3.794   3.163
  304   1HB   PHE  39          1HB       PHE  39 207.785   6.404   3.643
  305   2HB   PHE  39          2HB       PHE  39 209.276   6.417   2.712
  306    HD1  PHE  39           HD1      PHE  39 208.228   3.943   0.987
  307    HD2  PHE  39           HD2      PHE  39 206.708   7.797   1.965
  308    HE1  PHE  39           HE1      PHE  39 206.925   3.953  -1.097
  309    HE2  PHE  39           HE2      PHE  39 205.400   7.811  -0.117
  310    HZ   PHE  39           HZ       PHE  39 205.507   5.888  -1.651
  311    H    MET  40           H        MET  40 211.031   5.239   4.051
  312    HA   MET  40           HA       MET  40 212.512   4.478   1.818
  313   1HB   MET  40          1HB       MET  40 213.371   4.958   4.663
  314   2HB   MET  40          2HB       MET  40 214.487   4.734   3.328
  315   1HG   MET  40          1HG       MET  40 214.017   6.765   2.401
  316   2HG   MET  40          2HG       MET  40 212.398   6.828   3.096
  317   1HE   MET  40          1HE       MET  40 212.862   9.094   3.232
  318   2HE   MET  40          2HE       MET  40 212.912   9.654   4.903
  319   3HE   MET  40          3HE       MET  40 214.335   9.817   3.875
  320    H    THR  41           H        THR  41 212.526   2.903   5.031
  321    HA   THR  41           HA       THR  41 214.110   0.726   4.337
  322    HB   THR  41           HB       THR  41 211.892   0.366   6.297
  323    HG1  THR  41           HG1      THR  41 212.426   2.171   7.216
  324   1HG2  THR  41          1HG2      THR  41 213.854  -1.271   5.852
  325   2HG2  THR  41          2HG2      THR  41 214.776  -0.132   6.834
  326   3HG2  THR  41          3HG2      THR  41 213.352  -0.924   7.507
  327    H    PHE  42           H        PHE  42 210.527   0.770   4.539
  328    HA   PHE  42           HA       PHE  42 210.028  -1.796   3.673
  329   1HB   PHE  42          1HB       PHE  42 208.377   0.040   4.456
  330   2HB   PHE  42          2HB       PHE  42 208.298   0.485   2.754
  331    HD1  PHE  42           HD1      PHE  42 206.791  -0.580   1.363
  332    HD2  PHE  42           HD2      PHE  42 207.927  -2.448   5.014
  333    HE1  PHE  42           HE1      PHE  42 205.118  -2.342   0.978
  334    HE2  PHE  42           HE2      PHE  42 206.255  -4.213   4.636
  335    HZ   PHE  42           HZ       PHE  42 204.849  -4.161   2.615
  336    H    PHE  43           H        PHE  43 210.753   1.062   1.755
  337    HA   PHE  43           HA       PHE  43 210.316  -0.208  -0.778
  338   1HB   PHE  43          1HB       PHE  43 210.474   2.383  -0.022
  339   2HB   PHE  43          2HB       PHE  43 212.111   2.150  -0.617
  340    HD1  PHE  43           HD1      PHE  43 210.567   4.130  -1.899
  341    HD2  PHE  43           HD2      PHE  43 210.538  -0.071  -2.582
  342    HE1  PHE  43           HE1      PHE  43 209.776   4.511  -4.193
  343    HE2  PHE  43           HE2      PHE  43 209.747   0.303  -4.877
  344    HZ   PHE  43           HZ       PHE  43 209.364   2.598  -5.689
  345    H    ALA  44           H        ALA  44 213.078   0.405   1.331
  346    HA   ALA  44           HA       ALA  44 215.083  -0.455  -0.497
  347   1HB   ALA  44          1HB       ALA  44 215.401   0.982   1.560
  348   2HB   ALA  44          2HB       ALA  44 215.313  -0.508   2.496
  349   3HB   ALA  44          3HB       ALA  44 216.594  -0.290   1.304
  350    H    GLU  45           H        GLU  45 213.131  -2.086   1.916
  351    HA   GLU  45           HA       GLU  45 214.534  -4.572   1.790
  352   1HB   GLU  45          1HB       GLU  45 212.654  -5.450   3.102
  353   2HB   GLU  45          2HB       GLU  45 213.229  -3.932   3.776
  354   1HG   GLU  45          1HG       GLU  45 211.379  -2.746   2.906
  355   2HG   GLU  45          2HG       GLU  45 210.865  -4.125   1.938
  356    H    THR  46           H        THR  46 211.810  -3.076   0.151
  357    HA   THR  46           HA       THR  46 210.846  -5.386  -1.176
  358    HB   THR  46           HB       THR  46 210.556  -2.429  -1.548
  359    HG1  THR  46           HG1      THR  46 208.994  -3.162  -0.300
  360   1HG2  THR  46          1HG2      THR  46 209.798  -4.454  -3.626
  361   2HG2  THR  46          2HG2      THR  46 208.994  -2.892  -3.469
  362   3HG2  THR  46          3HG2      THR  46 210.719  -2.964  -3.828
  363    H    VAL  47           H        VAL  47 213.094  -2.805  -2.196
  364    HA   VAL  47           HA       VAL  47 213.644  -3.776  -4.757
  365    HB   VAL  47           HB       VAL  47 216.110  -2.827  -3.944
  366   1HG1  VAL  47          1HG1      VAL  47 213.775  -1.575  -5.279
  367   2HG1  VAL  47          2HG1      VAL  47 215.238  -0.640  -4.960
  368   3HG1  VAL  47          3HG1      VAL  47 215.318  -2.091  -5.959
  369   1HG2  VAL  47          1HG2      VAL  47 214.749  -2.184  -1.800
  370   2HG2  VAL  47          2HG2      VAL  47 215.973  -1.116  -2.476
  371   3HG2  VAL  47          3HG2      VAL  47 214.270  -0.820  -2.805
  372    H    ALA  48           H        ALA  48 215.535  -4.384  -1.764
  373    HA   ALA  48           HA       ALA  48 217.291  -6.212  -2.943
  374   1HB   ALA  48          1HB       ALA  48 218.074  -5.753  -0.885
  375   2HB   ALA  48          2HB       ALA  48 217.152  -7.189  -0.439
  376   3HB   ALA  48          3HB       ALA  48 216.463  -5.584  -0.188
  377    H    SER  49           H        SER  49 213.976  -6.540  -1.895
  378    HA   SER  49           HA       SER  49 213.859  -9.390  -2.003
  379   1HB   SER  49          1HB       SER  49 212.241  -7.845  -0.758
  380   2HB   SER  49          2HB       SER  49 211.506  -7.532  -2.330
  381    HG   SER  49           HG       SER  49 210.382  -9.234  -1.686
  382    H    ARG  50           H        ARG  50 212.960  -6.750  -4.236
  383    HA   ARG  50           HA       ARG  50 212.176  -8.547  -6.309
  384   1HB   ARG  50          1HB       ARG  50 212.355  -6.381  -7.755
  385   2HB   ARG  50          2HB       ARG  50 211.039  -6.585  -6.612
  386   1HG   ARG  50          1HG       ARG  50 211.878  -5.019  -5.160
  387   2HG   ARG  50          2HG       ARG  50 213.526  -5.196  -5.757
  388   1HD   ARG  50          1HD       ARG  50 212.415  -3.051  -6.385
  389   2HD   ARG  50          2HD       ARG  50 213.020  -3.993  -7.745
  390    HE   ARG  50           HE       ARG  50 210.235  -4.429  -7.097
  391   1HH1  ARG  50          1HH1      ARG  50 212.514  -2.581  -9.013
  392   2HH1  ARG  50          2HH1      ARG  50 211.338  -2.134 -10.202
  393   1HH2  ARG  50          1HH2      ARG  50 208.693  -3.834  -8.665
  394   2HH2  ARG  50          2HH2      ARG  50 209.168  -2.844 -10.004
  395    H    THR  51           H        THR  51 215.160  -7.366  -5.220
  396    HA   THR  51           HA       THR  51 216.499  -7.798  -7.756
  397    HB   THR  51           HB       THR  51 217.506  -6.967  -5.025
  398    HG1  THR  51           HG1      THR  51 216.565  -5.247  -5.896
  399   1HG2  THR  51          1HG2      THR  51 219.198  -8.227  -6.480
  400   2HG2  THR  51          2HG2      THR  51 219.131  -6.815  -7.532
  401   3HG2  THR  51          3HG2      THR  51 219.648  -6.641  -5.856
  402    H    GLY  52           H        GLY  52 216.666  -9.905  -8.277
  403   1HA   GLY  52          1HA       GLY  52 216.820 -12.198  -8.014
  404   2HA   GLY  52          2HA       GLY  52 216.818 -11.968  -6.278
  405    H    ALA  53           H        ALA  53 219.155 -10.255  -6.165
  406    HA   ALA  53           HA       ALA  53 221.394 -10.441  -5.858
  407   1HB   ALA  53          1HB       ALA  53 221.197 -13.394  -6.299
  408   2HB   ALA  53          2HB       ALA  53 222.291 -12.497  -5.246
  409   3HB   ALA  53          3HB       ALA  53 220.582 -12.634  -4.831
  410    H    GLY  54           H        GLY  54 223.246 -10.264  -7.052
  411   1HA   GLY  54          1HA       GLY  54 223.618 -11.652  -9.535
  412   2HA   GLY  54          2HA       GLY  54 224.667 -10.414  -8.860
  413    H    GLU  55           H        GLU  55 221.736  -9.018  -8.731
  414    HA   GLU  55           HA       GLU  55 222.122  -7.734 -11.322
  415   1HB   GLU  55          1HB       GLU  55 219.650  -7.627 -11.610
  416   2HB   GLU  55          2HB       GLU  55 220.301  -9.258 -11.682
  417   1HG   GLU  55          1HG       GLU  55 218.853  -9.871 -10.135
  418   2HG   GLU  55          2HG       GLU  55 219.647  -8.789  -8.992
  419    H    ARG  56           H        ARG  56 220.930  -5.630 -11.485
  420    HA   ARG  56           HA       ARG  56 220.956  -4.258  -8.875
  421   1HB   ARG  56          1HB       ARG  56 221.477  -3.036 -11.590
  422   2HB   ARG  56          2HB       ARG  56 221.643  -2.244 -10.030
  423   1HG   ARG  56          1HG       ARG  56 223.544  -3.526  -9.470
  424   2HG   ARG  56          2HG       ARG  56 223.271  -4.646 -10.806
  425   1HD   ARG  56          1HD       ARG  56 223.737  -1.734 -11.325
  426   2HD   ARG  56          2HD       ARG  56 225.094  -2.821 -11.036
  427    HE   ARG  56           HE       ARG  56 223.557  -4.029 -12.981
  428   1HH1  ARG  56          1HH1      ARG  56 225.293  -1.008 -12.641
  429   2HH1  ARG  56          2HH1      ARG  56 225.631  -0.870 -14.333
  430   1HH2  ARG  56          1HH2      ARG  56 224.004  -3.842 -15.209
  431   2HH2  ARG  56          2HH2      ARG  56 224.898  -2.478 -15.792
  432    H    GLN  57           H        GLN  57 219.387  -2.621  -8.495
  433    HA   GLN  57           HA       GLN  57 217.133  -2.539 -10.376
  434   1HB   GLN  57          1HB       GLN  57 217.010  -3.383  -7.501
  435   2HB   GLN  57          2HB       GLN  57 215.643  -2.541  -8.216
  436   1HG   GLN  57          1HG       GLN  57 216.740  -4.846  -9.717
  437   2HG   GLN  57          2HG       GLN  57 215.869  -5.190  -8.225
  438   2HE2  GLN  57          2HE2      GLN  57 214.060  -6.082  -9.072
  439   1HE2  GLN  57          1HE2      GLN  57 212.951  -5.239 -10.093
  440    H    SER  58           H        SER  58 216.502  -0.546 -10.776
  441    HA   SER  58           HA       SER  58 216.983   1.498  -8.736
  442   1HB   SER  58          1HB       SER  58 217.116   1.743 -11.760
  443   2HB   SER  58          2HB       SER  58 217.060   3.137 -10.682
  444    HG   SER  58           HG       SER  58 219.098   1.243 -11.047
  445    H    ILE  59           H        ILE  59 215.044   1.629  -7.801
  446    HA   ILE  59           HA       ILE  59 212.600   1.366  -9.329
  447    HB   ILE  59           HB       ILE  59 211.802   2.084  -6.780
  448   1HG1  ILE  59          1HG1      ILE  59 214.205   0.267  -6.539
  449   2HG1  ILE  59          2HG1      ILE  59 214.190   1.960  -6.074
  450   1HG2  ILE  59          1HG2      ILE  59 211.007   0.238  -8.277
  451   2HG2  ILE  59          2HG2      ILE  59 212.361  -0.729  -7.693
  452   3HG2  ILE  59          3HG2      ILE  59 211.117  -0.184  -6.568
  453   1HD1  ILE  59          1HD1      ILE  59 212.476   1.478  -4.411
  454   2HD1  ILE  59          2HD1      ILE  59 212.524  -0.224  -4.872
  455   3HD1  ILE  59          3HD1      ILE  59 213.943   0.536  -4.152
  456    H    GLU  60           H        GLU  60 211.919   3.023 -10.454
  457    HA   GLU  60           HA       GLU  60 212.409   5.750  -9.609
  458   1HB   GLU  60          1HB       GLU  60 211.234   4.464 -12.055
  459   2HB   GLU  60          2HB       GLU  60 210.979   6.179 -11.759
  460   1HG   GLU  60          1HG       GLU  60 213.762   5.353 -11.474
  461   2HG   GLU  60          2HG       GLU  60 213.102   5.078 -13.086
  462    H    GLU  61           H        GLU  61 211.165   6.522  -8.047
  463    HA   GLU  61           HA       GLU  61 208.291   5.877  -8.029
  464   1HB   GLU  61          1HB       GLU  61 209.865   5.366  -6.027
  465   2HB   GLU  61          2HB       GLU  61 209.802   7.096  -5.731
  466   1HG   GLU  61          1HG       GLU  61 207.142   6.256  -6.060
  467   2HG   GLU  61          2HG       GLU  61 207.922   5.062  -5.026
  468    H    GLY  62           H        GLY  62 206.846   7.664  -7.253
  469   1HA   GLY  62          1HA       GLY  62 205.940   9.721  -7.822
  470   2HA   GLY  62          2HA       GLY  62 207.399  10.072  -8.738
  471    H    ASN  63           H        ASN  63 209.389  10.063  -7.017
  472    HA   ASN  63           HA       ASN  63 209.223  12.477  -5.637
  473   1HB   ASN  63          1HB       ASN  63 207.818  10.853  -4.139
  474   2HB   ASN  63          2HB       ASN  63 209.391  10.232  -3.650
  475   2HD2  ASN  63          2HD2      ASN  63 207.202  12.919  -3.534
  476   1HD2  ASN  63          1HD2      ASN  63 208.048  13.818  -2.325
  477    H    TYR  64           H        TYR  64 210.725   9.271  -5.653
  478    HA   TYR  64           HA       TYR  64 213.325  10.424  -6.115
  479   1HB   TYR  64          1HB       TYR  64 214.337   9.187  -4.134
  480   2HB   TYR  64          2HB       TYR  64 213.414  10.636  -3.758
  481    HD1  TYR  64           HD1      TYR  64 211.696  10.547  -2.184
  482    HD2  TYR  64           HD2      TYR  64 213.100   6.926  -3.921
  483    HE1  TYR  64           HE1      TYR  64 210.305   9.263  -0.615
  484    HE2  TYR  64           HE2      TYR  64 211.712   5.632  -2.358
  485    HH   TYR  64           HH       TYR  64 209.258   6.560  -0.871
  486    H    ILE  65           H        ILE  65 215.028   8.543  -5.952
  487    HA   ILE  65           HA       ILE  65 213.948   6.268  -7.482
  488    HB   ILE  65           HB       ILE  65 216.523   7.779  -7.569
  489   1HG1  ILE  65          1HG1      ILE  65 214.653   6.612  -9.625
  490   2HG1  ILE  65          2HG1      ILE  65 214.945   8.314  -9.270
  491   1HG2  ILE  65          1HG2      ILE  65 217.295   5.525  -7.103
  492   2HG2  ILE  65          2HG2      ILE  65 216.302   4.896  -8.418
  493   3HG2  ILE  65          3HG2      ILE  65 217.653   5.971  -8.769
  494   1HD1  ILE  65          1HD1      ILE  65 217.348   7.870  -9.995
  495   2HD1  ILE  65          2HD1      ILE  65 216.732   6.362 -10.671
  496   3HD1  ILE  65          3HD1      ILE  65 216.110   7.907 -11.250
  497    H    GLY  66           H        GLY  66 215.041   4.167  -7.141
  498   1HA   GLY  66          1HA       GLY  66 214.936   2.835  -4.959
  499   2HA   GLY  66          2HA       GLY  66 216.237   3.903  -4.465
  500    H    HIS  67           H        HIS  67 218.225   3.867  -5.732
  501    HA   HIS  67           HA       HIS  67 218.785   1.915  -7.654
  502   1HB   HIS  67          1HB       HIS  67 220.675   3.320  -5.755
  503   2HB   HIS  67          2HB       HIS  67 221.181   2.366  -7.143
  504    HD1  HIS  67           HD1      HIS  67 219.502   3.374  -9.382
  505    HD2  HIS  67           HD2      HIS  67 221.020   5.897  -6.451
  506    HE1  HIS  67           HE1      HIS  67 219.537   5.665 -10.418
  507    HE2  HIS  67           HE2      HIS  67 220.519   7.164  -8.649
  508    H    VAL  68           H        VAL  68 219.937  -0.055  -7.527
  509    HA   VAL  68           HA       VAL  68 220.304  -1.268  -4.887
  510    HB   VAL  68           HB       VAL  68 218.293  -2.112  -6.905
  511   1HG1  VAL  68          1HG1      VAL  68 220.255  -3.955  -5.833
  512   2HG1  VAL  68          2HG1      VAL  68 218.594  -4.406  -5.474
  513   3HG1  VAL  68          3HG1      VAL  68 219.097  -4.158  -7.145
  514   1HG2  VAL  68          1HG2      VAL  68 218.464  -1.689  -4.044
  515   2HG2  VAL  68          2HG2      VAL  68 217.081  -1.594  -5.132
  516   3HG2  VAL  68          3HG2      VAL  68 217.596  -3.156  -4.495
  517    H    TYR  69           H        TYR  69 221.905  -2.772  -4.804
  518    HA   TYR  69           HA       TYR  69 223.101  -3.743  -7.285
  519   1HB   TYR  69          1HB       TYR  69 224.581  -2.216  -5.144
  520   2HB   TYR  69          2HB       TYR  69 225.397  -3.254  -6.306
  521    HD1  TYR  69           HD1      TYR  69 223.619  -0.094  -5.819
  522    HD2  TYR  69           HD2      TYR  69 225.523  -2.631  -8.653
  523    HE1  TYR  69           HE1      TYR  69 223.678   1.761  -7.432
  524    HE2  TYR  69           HE2      TYR  69 225.586  -0.786 -10.271
  525    HH   TYR  69           HH       TYR  69 224.998   2.427  -9.428
  526    H    ALA  70           H        ALA  70 222.962  -5.869  -7.072
  527    HA   ALA  70           HA       ALA  70 223.212  -7.070  -4.415
  528   1HB   ALA  70          1HB       ALA  70 222.259  -8.272  -7.005
  529   2HB   ALA  70          2HB       ALA  70 221.243  -7.663  -5.699
  530   3HB   ALA  70          3HB       ALA  70 222.265  -9.074  -5.436
  531    H    ARG  71           H        ARG  71 224.473  -8.952  -4.055
  532    HA   ARG  71           HA       ARG  71 226.968  -8.955  -5.589
  533   1HB   ARG  71          1HB       ARG  71 226.298  -9.240  -2.810
  534   2HB   ARG  71          2HB       ARG  71 227.154 -10.678  -3.345
  535   1HG   ARG  71          1HG       ARG  71 228.420  -8.261  -4.308
  536   2HG   ARG  71          2HG       ARG  71 228.273  -8.276  -2.550
  537   1HD   ARG  71          1HD       ARG  71 229.852  -9.836  -2.338
  538   2HD   ARG  71          2HD       ARG  71 229.129 -10.844  -3.591
  539    HE   ARG  71           HE       ARG  71 230.364  -8.786  -4.930
  540   1HH1  ARG  71          1HH1      ARG  71 231.377 -11.294  -2.706
  541   2HH1  ARG  71          2HH1      ARG  71 232.976 -11.398  -3.362
  542   1HH2  ARG  71          1HH2      ARG  71 232.470  -8.929  -5.789
  543   2HH2  ARG  71          2HH2      ARG  71 233.597 -10.056  -5.112
  544    H    SER  72           H        SER  72 228.052 -11.279  -5.514
  545    HA   SER  72           HA       SER  72 226.136 -13.079  -6.810
  546   1HB   SER  72          1HB       SER  72 228.452 -12.269  -7.794
  547   2HB   SER  72          2HB       SER  72 229.084 -13.593  -6.816
  548    HG   SER  72           HG       SER  72 227.436 -13.659  -9.065
  549    H    GLU  73           H        GLU  73 226.105 -12.899  -3.953
  550    HA   GLU  73           HA       GLU  73 227.034 -15.604  -3.236
  551   1HB   GLU  73          1HB       GLU  73 227.036 -13.064  -1.627
  552   2HB   GLU  73          2HB       GLU  73 227.055 -14.637  -0.844
  553   1HG   GLU  73          1HG       GLU  73 229.062 -14.241  -2.960
  554   2HG   GLU  73          2HG       GLU  73 229.261 -13.254  -1.514
  555    H    GLY  74           H        GLY  74 224.539 -13.130  -2.732
  556   1HA   GLY  74          1HA       GLY  74 222.805 -15.121  -1.447
  557   2HA   GLY  74          2HA       GLY  74 222.251 -14.369  -2.934
  558    H    ILE  75           H        ILE  75 224.161 -12.477  -0.762
  559    HA   ILE  75           HA       ILE  75 221.753 -11.129   0.260
  560    HB   ILE  75           HB       ILE  75 222.779 -11.535   2.240
  561   1HG1  ILE  75          1HG1      ILE  75 223.326  -8.974   1.413
  562   2HG1  ILE  75          2HG1      ILE  75 223.553  -9.589   3.043
  563   1HG2  ILE  75          1HG2      ILE  75 224.442 -13.018   1.299
  564   2HG2  ILE  75          2HG2      ILE  75 225.450 -11.642   0.850
  565   3HG2  ILE  75          3HG2      ILE  75 225.155 -12.003   2.551
  566   1HD1  ILE  75          1HD1      ILE  75 225.679  -9.521   0.914
  567   2HD1  ILE  75          2HD1      ILE  75 225.504  -8.356   2.226
  568   3HD1  ILE  75          3HD1      ILE  75 225.884 -10.040   2.586
  569    H    CYS  76           H        CYS  76 221.262  -9.277  -0.688
  570    HA   CYS  76           HA       CYS  76 223.379  -7.792  -2.085
  571   1HB   CYS  76          1HB       CYS  76 221.563  -6.825  -3.448
  572   2HB   CYS  76          2HB       CYS  76 221.624  -8.580  -3.557
  573    HG   CYS  76           HG       CYS  76 219.473  -8.722  -2.155
  574    H    GLY  77           H        GLY  77 223.037  -5.412  -2.263
  575   1HA   GLY  77          1HA       GLY  77 223.469  -3.706  -0.524
  576   2HA   GLY  77          2HA       GLY  77 222.043  -4.320   0.300
  577    H    VAL  78           H        VAL  78 220.975  -2.269   0.262
  578    HA   VAL  78           HA       VAL  78 220.160  -1.520  -2.446
  579    HB   VAL  78           HB       VAL  78 218.531  -1.829   0.010
  580   1HG1  VAL  78          1HG1      VAL  78 217.854   0.138  -2.159
  581   2HG1  VAL  78          2HG1      VAL  78 216.727  -0.448  -0.939
  582   3HG1  VAL  78          3HG1      VAL  78 218.133   0.495  -0.454
  583   1HG2  VAL  78          1HG2      VAL  78 218.758  -3.207  -2.325
  584   2HG2  VAL  78          2HG2      VAL  78 217.394  -3.298  -1.212
  585   3HG2  VAL  78          3HG2      VAL  78 217.325  -2.221  -2.603
  586    H    LEU  79           H        LEU  79 219.924   0.608  -3.014
  587    HA   LEU  79           HA       LEU  79 220.820   2.660  -1.096
  588   1HB   LEU  79          1HB       LEU  79 222.347   1.648  -3.194
  589   2HB   LEU  79          2HB       LEU  79 221.689   3.138  -3.835
  590    HG   LEU  79           HG       LEU  79 223.100   3.073  -1.181
  591   1HD1  LEU  79          1HD1      LEU  79 224.285   2.364  -3.598
  592   2HD1  LEU  79          2HD1      LEU  79 224.708   4.060  -3.367
  593   3HD1  LEU  79          3HD1      LEU  79 225.102   2.875  -2.122
  594   1HD2  LEU  79          1HD2      LEU  79 221.708   5.033  -1.811
  595   2HD2  LEU  79          2HD2      LEU  79 223.416   5.423  -1.617
  596   3HD2  LEU  79          3HD2      LEU  79 222.728   5.258  -3.232
  597    H    ILE  80           H        ILE  80 218.826   3.695  -0.885
  598    HA   ILE  80           HA       ILE  80 217.412   4.422  -3.353
  599    HB   ILE  80           HB       ILE  80 215.963   5.308  -1.052
  600   1HG1  ILE  80          1HG1      ILE  80 216.868   2.425  -0.948
  601   2HG1  ILE  80          2HG1      ILE  80 217.120   3.665   0.275
  602   1HG2  ILE  80          1HG2      ILE  80 215.047   4.757  -3.262
  603   2HG2  ILE  80          2HG2      ILE  80 215.417   3.058  -2.982
  604   3HG2  ILE  80          3HG2      ILE  80 214.231   3.880  -1.971
  605   1HD1  ILE  80          1HD1      ILE  80 214.399   3.650   0.007
  606   2HD1  ILE  80          2HD1      ILE  80 214.821   1.951  -0.205
  607   3HD1  ILE  80          3HD1      ILE  80 215.315   2.807   1.255
  608    H    THR  81           H        THR  81 217.729   6.350  -4.215
  609    HA   THR  81           HA       THR  81 218.016   8.673  -2.462
  610    HB   THR  81           HB       THR  81 220.301   8.148  -2.963
  611    HG1  THR  81           HG1      THR  81 220.645  10.162  -3.372
  612   1HG2  THR  81          1HG2      THR  81 219.533   6.926  -5.198
  613   2HG2  THR  81          2HG2      THR  81 220.036   8.472  -5.878
  614   3HG2  THR  81          3HG2      THR  81 221.174   7.512  -4.933
  615    H    ASP  82           H        ASP  82 217.891  10.764  -3.744
  616    HA   ASP  82           HA       ASP  82 215.505  10.785  -5.251
  617   1HB   ASP  82          1HB       ASP  82 216.523  12.674  -3.847
  618   2HB   ASP  82          2HB       ASP  82 217.553  13.000  -5.237
  619    H    LYS  83           H        LYS  83 215.256  11.631  -7.457
  620    HA   LYS  83           HA       LYS  83 216.717  10.150  -9.337
  621   1HB   LYS  83          1HB       LYS  83 214.414  11.722  -9.363
  622   2HB   LYS  83          2HB       LYS  83 215.500  12.534 -10.483
  623   1HG   LYS  83          1HG       LYS  83 215.844  10.163 -11.474
  624   2HG   LYS  83          2HG       LYS  83 214.341   9.787 -10.630
  625   1HD   LYS  83          1HD       LYS  83 214.535  12.189 -12.411
  626   2HD   LYS  83          2HD       LYS  83 214.237  10.588 -13.090
  627   1HE   LYS  83          1HE       LYS  83 212.076  10.998 -12.704
  628   2HE   LYS  83          2HE       LYS  83 212.450  10.707 -11.006
  629   1HZ   LYS  83          1HZ       LYS  83 212.839  13.082 -10.729
  630   2HZ   LYS  83          2HZ       LYS  83 212.465  13.355 -12.356
  631   3HZ   LYS  83          3HZ       LYS  83 211.273  12.790 -11.298
  632    H    GLN  84           H        GLN  84 217.405  13.207  -7.857
  633    HA   GLN  84           HA       GLN  84 219.260  14.051  -9.923
  634   1HB   GLN  84          1HB       GLN  84 218.582  15.234  -7.226
  635   2HB   GLN  84          2HB       GLN  84 219.702  15.957  -8.373
  636   1HG   GLN  84          1HG       GLN  84 217.015  15.309  -9.403
  637   2HG   GLN  84          2HG       GLN  84 217.110  16.608  -8.217
  638   2HE2  GLN  84          2HE2      GLN  84 218.168  15.521 -11.372
  639   1HE2  GLN  84          1HE2      GLN  84 218.620  17.078 -11.969
  640    H    TYR  85           H        TYR  85 219.686  11.524  -8.442
  641    HA   TYR  85           HA       TYR  85 222.444  11.978  -7.612
  642   1HB   TYR  85          1HB       TYR  85 221.086  11.747  -5.561
  643   2HB   TYR  85          2HB       TYR  85 220.404  10.251  -6.173
  644    HD1  TYR  85           HD1      TYR  85 222.506  11.412  -3.789
  645    HD2  TYR  85           HD2      TYR  85 222.542   8.587  -6.968
  646    HE1  TYR  85           HE1      TYR  85 224.233  10.109  -2.620
  647    HE2  TYR  85           HE2      TYR  85 224.271   7.294  -5.818
  648    HH   TYR  85           HH       TYR  85 224.919   7.087  -3.142
  649    HA   PRO  86           HA       PRO  86 222.156   9.239 -11.268
  650   1HB   PRO  86          1HB       PRO  86 225.081   9.562 -10.774
  651   2HB   PRO  86          2HB       PRO  86 224.186   9.583 -12.297
  652   1HG   PRO  86          1HG       PRO  86 224.992  11.853 -11.196
  653   2HG   PRO  86          2HG       PRO  86 223.389  11.737 -11.948
  654   1HD   PRO  86          1HD       PRO  86 224.132  11.802  -9.068
  655   2HD   PRO  86          2HD       PRO  86 222.685  12.435  -9.877
  656    H    VAL  87           H        VAL  87 222.901   7.126 -11.771
  657    HA   VAL  87           HA       VAL  87 222.950   5.377  -9.501
  658    HB   VAL  87           HB       VAL  87 223.555   4.365 -12.249
  659   1HG1  VAL  87          1HG1      VAL  87 222.882   3.233  -9.788
  660   2HG1  VAL  87          2HG1      VAL  87 221.448   3.050 -10.797
  661   3HG1  VAL  87          3HG1      VAL  87 222.999   2.417 -11.347
  662   1HG2  VAL  87          1HG2      VAL  87 221.137   5.871 -11.508
  663   2HG2  VAL  87          2HG2      VAL  87 221.824   5.533 -13.096
  664   3HG2  VAL  87          3HG2      VAL  87 220.846   4.313 -12.281
  665    H    ARG  88           H        ARG  88 225.368   6.724 -11.625
  666    HA   ARG  88           HA       ARG  88 227.413   4.860 -11.377
  667   1HB   ARG  88          1HB       ARG  88 227.751   7.858 -11.504
  668   2HB   ARG  88          2HB       ARG  88 228.946   6.647 -11.950
  669   1HG   ARG  88          1HG       ARG  88 226.428   6.291 -13.344
  670   2HG   ARG  88          2HG       ARG  88 227.154   7.872 -13.636
  671   1HD   ARG  88          1HD       ARG  88 228.957   5.530 -13.762
  672   2HD   ARG  88          2HD       ARG  88 227.769   5.681 -15.055
  673    HE   ARG  88           HE       ARG  88 230.081   7.339 -14.610
  674   1HH1  ARG  88          1HH1      ARG  88 226.927   7.164 -16.128
  675   2HH1  ARG  88          2HH1      ARG  88 227.290   8.383 -17.301
  676   1HH2  ARG  88          1HH2      ARG  88 230.549   8.946 -16.158
  677   2HH2  ARG  88          2HH2      ARG  88 229.345   9.395 -17.319
  678    HA   PRO  89           HA       PRO  89 229.004   7.096  -7.405
  679   1HB   PRO  89          1HB       PRO  89 227.225   8.703  -6.088
  680   2HB   PRO  89          2HB       PRO  89 228.381   9.317  -7.276
  681   1HG   PRO  89          1HG       PRO  89 225.481   8.657  -7.620
  682   2HG   PRO  89          2HG       PRO  89 226.391  10.049  -8.234
  683   1HD   PRO  89          1HD       PRO  89 225.779   7.935  -9.793
  684   2HD   PRO  89          2HD       PRO  89 227.287   8.849  -9.993
  685    H    ALA  90           H        ALA  90 225.613   6.194  -7.721
  686    HA   ALA  90           HA       ALA  90 225.365   5.090  -5.097
  687   1HB   ALA  90          1HB       ALA  90 223.469   5.735  -6.742
  688   2HB   ALA  90          2HB       ALA  90 223.770   4.159  -7.475
  689   3HB   ALA  90          3HB       ALA  90 223.277   4.266  -5.785
  690    H    TYR  91           H        TYR  91 226.602   4.068  -8.198
  691    HA   TYR  91           HA       TYR  91 226.791   1.288  -7.628
  692   1HB   TYR  91          1HB       TYR  91 227.004   2.495  -9.920
  693   2HB   TYR  91          2HB       TYR  91 228.670   2.796  -9.446
  694    HD1  TYR  91           HD1      TYR  91 226.877   0.832 -11.501
  695    HD2  TYR  91           HD2      TYR  91 229.656   0.392  -8.310
  696    HE1  TYR  91           HE1      TYR  91 227.515  -1.379 -12.366
  697    HE2  TYR  91           HE2      TYR  91 230.298  -1.819  -9.164
  698    HH   TYR  91           HH       TYR  91 230.056  -2.882 -11.886
  699    H    THR  92           H        THR  92 229.001   4.070  -7.380
  700    HA   THR  92           HA       THR  92 231.225   2.697  -6.337
  701    HB   THR  92           HB       THR  92 230.440   5.531  -5.701
  702    HG1  THR  92           HG1      THR  92 230.491   5.776  -7.789
  703   1HG2  THR  92          1HG2      THR  92 233.125   4.210  -5.960
  704   2HG2  THR  92          2HG2      THR  92 232.867   5.946  -5.788
  705   3HG2  THR  92          3HG2      THR  92 232.390   4.851  -4.491
  706    H    LEU  93           H        LEU  93 228.481   4.300  -4.766
  707    HA   LEU  93           HA       LEU  93 229.369   3.915  -2.132
  708   1HB   LEU  93          1HB       LEU  93 227.478   5.443  -3.074
  709   2HB   LEU  93          2HB       LEU  93 226.467   4.040  -2.797
  710    HG   LEU  93           HG       LEU  93 228.122   5.379  -0.661
  711   1HD1  LEU  93          1HD1      LEU  93 226.399   6.887  -1.461
  712   2HD1  LEU  93          2HD1      LEU  93 225.182   5.630  -1.251
  713   3HD1  LEU  93          3HD1      LEU  93 226.013   6.295   0.155
  714   1HD2  LEU  93          1HD2      LEU  93 226.167   3.106  -0.670
  715   2HD2  LEU  93          2HD2      LEU  93 227.767   3.195   0.064
  716   3HD2  LEU  93          3HD2      LEU  93 226.420   4.078   0.780
  717    H    LEU  94           H        LEU  94 227.022   2.092  -4.074
  718    HA   LEU  94           HA       LEU  94 226.694   0.079  -2.104
  719   1HB   LEU  94          1HB       LEU  94 225.449   0.727  -4.507
  720   2HB   LEU  94          2HB       LEU  94 226.171  -0.842  -4.802
  721    HG   LEU  94           HG       LEU  94 223.809  -0.941  -4.013
  722   1HD1  LEU  94          1HD1      LEU  94 225.771  -2.653  -3.519
  723   2HD1  LEU  94          2HD1      LEU  94 225.391  -2.214  -1.855
  724   3HD1  LEU  94          3HD1      LEU  94 224.139  -2.889  -2.896
  725   1HD2  LEU  94          1HD2      LEU  94 224.779   0.864  -2.045
  726   2HD2  LEU  94          2HD2      LEU  94 223.135   0.281  -2.292
  727   3HD2  LEU  94          3HD2      LEU  94 224.232  -0.600  -1.231
  728    H    ASN  95           H        ASN  95 229.288   0.843  -4.101
  729    HA   ASN  95           HA       ASN  95 230.212  -1.850  -4.611
  730   1HB   ASN  95          1HB       ASN  95 230.819   0.384  -5.874
  731   2HB   ASN  95          2HB       ASN  95 232.046   0.526  -4.622
  732   2HD2  ASN  95          2HD2      ASN  95 231.622  -0.406  -7.672
  733   1HD2  ASN  95          1HD2      ASN  95 232.813  -1.651  -7.795
  734    H    LYS  96           H        LYS  96 231.195   0.811  -2.471
  735    HA   LYS  96           HA       LYS  96 233.083  -0.707  -1.004
  736   1HB   LYS  96          1HB       LYS  96 231.848   1.969  -0.794
  737   2HB   LYS  96          2HB       LYS  96 232.416   1.279   0.720
  738   1HG   LYS  96          1HG       LYS  96 234.330   2.297   0.108
  739   2HG   LYS  96          2HG       LYS  96 234.564   0.798  -0.791
  740   1HD   LYS  96          1HD       LYS  96 233.820   1.798  -2.816
  741   2HD   LYS  96          2HD       LYS  96 233.239   3.233  -1.969
  742   1HE   LYS  96          1HE       LYS  96 235.274   3.870  -2.970
  743   2HE   LYS  96          2HE       LYS  96 235.644   3.618  -1.265
  744   1HZ   LYS  96          1HZ       LYS  96 236.117   1.607  -3.400
  745   2HZ   LYS  96          2HZ       LYS  96 237.302   2.642  -2.779
  746   3HZ   LYS  96          3HZ       LYS  96 236.582   1.486  -1.777
  747    H    ILE  97           H        ILE  97 229.635  -0.017  -0.541
  748    HA   ILE  97           HA       ILE  97 229.373  -0.998   2.068
  749    HB   ILE  97           HB       ILE  97 227.762   0.378   0.713
  750   1HG1  ILE  97          1HG1      ILE  97 226.708  -1.990   2.237
  751   2HG1  ILE  97          2HG1      ILE  97 227.116  -0.401   2.890
  752   1HG2  ILE  97          1HG2      ILE  97 227.696  -1.122  -1.237
  753   2HG2  ILE  97          2HG2      ILE  97 226.766  -2.267  -0.275
  754   3HG2  ILE  97          3HG2      ILE  97 226.108  -0.671  -0.630
  755   1HD1  ILE  97          1HD1      ILE  97 225.368   0.574   1.437
  756   2HD1  ILE  97          2HD1      ILE  97 224.907  -1.063   0.971
  757   3HD1  ILE  97          3HD1      ILE  97 224.749  -0.548   2.649
  758    H    LEU  98           H        LEU  98 228.662  -2.646  -1.034
  759    HA   LEU  98           HA       LEU  98 228.000  -5.114   0.132
  760   1HB   LEU  98          1HB       LEU  98 228.363  -4.092  -2.518
  761   2HB   LEU  98          2HB       LEU  98 229.186  -5.635  -2.389
  762    HG   LEU  98           HG       LEU  98 227.194  -6.792  -1.893
  763   1HD1  LEU  98          1HD1      LEU  98 226.122  -4.096  -1.185
  764   2HD1  LEU  98          2HD1      LEU  98 225.017  -5.382  -1.669
  765   3HD1  LEU  98          3HD1      LEU  98 226.069  -5.604  -0.272
  766   1HD2  LEU  98          1HD2      LEU  98 227.408  -6.103  -4.243
  767   2HD2  LEU  98          2HD2      LEU  98 225.725  -6.266  -3.744
  768   3HD2  LEU  98          3HD2      LEU  98 226.448  -4.665  -3.895
  769    H    ASP  99           H        ASP  99 231.111  -3.883  -1.071
  770    HA   ASP  99           HA       ASP  99 232.582  -6.254  -0.491
  771   1HB   ASP  99          1HB       ASP  99 233.309  -3.411  -1.116
  772   2HB   ASP  99          2HB       ASP  99 234.545  -4.500  -0.495
  773    H    GLU 100           H        GLU 100 231.590  -3.452   1.289
  774    HA   GLU 100           HA       GLU 100 233.291  -3.771   3.533
  775   1HB   GLU 100          1HB       GLU 100 232.308  -1.632   3.091
  776   2HB   GLU 100          2HB       GLU 100 230.690  -2.307   3.147
  777   1HG   GLU 100          1HG       GLU 100 231.114  -1.091   5.172
  778   2HG   GLU 100          2HG       GLU 100 231.020  -2.811   5.544
  779    H    TYR 101           H        TYR 101 230.067  -4.949   2.659
  780    HA   TYR 101           HA       TYR 101 229.464  -6.053   5.191
  781   1HB   TYR 101          1HB       TYR 101 227.812  -5.678   3.274
  782   2HB   TYR 101          2HB       TYR 101 228.416  -7.203   2.619
  783    HD1  TYR 101           HD1      TYR 101 226.840  -5.680   5.615
  784    HD2  TYR 101           HD2      TYR 101 227.674  -9.269   3.491
  785    HE1  TYR 101           HE1      TYR 101 225.393  -6.924   7.164
  786    HE2  TYR 101           HE2      TYR 101 226.221 -10.522   5.028
  787    HH   TYR 101           HH       TYR 101 225.446 -10.079   7.600
  788    H    LEU 102           H        LEU 102 231.254  -7.211   2.380
  789    HA   LEU 102           HA       LEU 102 231.487  -9.910   3.316
  790   1HB   LEU 102          1HB       LEU 102 233.637  -8.935   1.558
  791   2HB   LEU 102          2HB       LEU 102 232.643 -10.369   1.429
  792    HG   LEU 102           HG       LEU 102 231.783  -7.593   0.626
  793   1HD1  LEU 102          1HD1      LEU 102 232.700  -9.936  -1.025
  794   2HD1  LEU 102          2HD1      LEU 102 231.975  -8.463  -1.669
  795   3HD1  LEU 102          3HD1      LEU 102 233.526  -8.390  -0.833
  796   1HD2  LEU 102          1HD2      LEU 102 229.958  -9.121   1.360
  797   2HD2  LEU 102          2HD2      LEU 102 229.853  -8.645  -0.334
  798   3HD2  LEU 102          3HD2      LEU 102 230.456 -10.245   0.096
  799    H    VAL 103           H        VAL 103 233.256  -6.961   3.936
  800    HA   VAL 103           HA       VAL 103 235.565  -8.320   4.964
  801    HB   VAL 103           HB       VAL 103 234.769  -5.432   4.882
  802   1HG1  VAL 103          1HG1      VAL 103 236.952  -6.704   6.506
  803   2HG1  VAL 103          2HG1      VAL 103 237.072  -5.037   5.942
  804   3HG1  VAL 103          3HG1      VAL 103 235.751  -5.515   7.008
  805   1HG2  VAL 103          1HG2      VAL 103 235.755  -6.484   2.878
  806   2HG2  VAL 103          2HG2      VAL 103 236.775  -5.207   3.540
  807   3HG2  VAL 103          3HG2      VAL 103 237.185  -6.899   3.823
  808    H    ALA 104           H        ALA 104 232.966  -6.393   6.474
  809    HA   ALA 104           HA       ALA 104 233.715  -6.496   9.099
  810   1HB   ALA 104          1HB       ALA 104 231.740  -5.318   8.502
  811   2HB   ALA 104          2HB       ALA 104 230.963  -6.787   7.911
  812   3HB   ALA 104          3HB       ALA 104 231.257  -6.578   9.638
  813    H    HIS 105           H        HIS 105 232.697  -9.107   7.089
  814    HA   HIS 105           HA       HIS 105 233.577 -11.086   8.889
  815   1HB   HIS 105          1HB       HIS 105 231.212 -12.238   8.850
  816   2HB   HIS 105          2HB       HIS 105 231.578 -11.036  10.079
  817    HD1  HIS 105           HD1      HIS 105 228.745 -11.209   9.846
  818    HD2  HIS 105           HD2      HIS 105 230.898  -9.026   7.034
  819    HE1  HIS 105           HE1      HIS 105 227.083  -9.640   8.800
  820    HE2  HIS 105           HE2      HIS 105 228.429  -8.257   7.179
  821    HA   PRO 106           HA       PRO 106 234.687 -13.020   5.055
  822   1HB   PRO 106          1HB       PRO 106 233.519 -15.376   6.500
  823   2HB   PRO 106          2HB       PRO 106 235.008 -15.269   5.553
  824   1HG   PRO 106          1HG       PRO 106 234.992 -15.134   8.255
  825   2HG   PRO 106          2HG       PRO 106 236.182 -14.281   7.259
  826   1HD   PRO 106          1HD       PRO 106 234.024 -13.184   8.887
  827   2HD   PRO 106          2HD       PRO 106 235.381 -12.343   8.116
  828    H    LYS 107           H        LYS 107 233.799 -13.745   3.178
  829    HA   LYS 107           HA       LYS 107 231.276 -13.038   2.441
  830   1HB   LYS 107          1HB       LYS 107 233.428 -14.554   1.279
  831   2HB   LYS 107          2HB       LYS 107 231.881 -15.247   0.816
  832   1HG   LYS 107          1HG       LYS 107 231.200 -12.875   0.175
  833   2HG   LYS 107          2HG       LYS 107 232.915 -12.480   0.305
  834   1HD   LYS 107          1HD       LYS 107 232.286 -14.883  -1.280
  835   2HD   LYS 107          2HD       LYS 107 231.719 -13.358  -1.961
  836   1HE   LYS 107          1HE       LYS 107 233.829 -13.493  -2.865
  837   2HE   LYS 107          2HE       LYS 107 234.139 -12.544  -1.412
  838   1HZ   LYS 107          1HZ       LYS 107 234.494 -15.487  -1.585
  839   2HZ   LYS 107          2HZ       LYS 107 235.746 -14.365  -1.778
  840   3HZ   LYS 107          3HZ       LYS 107 234.938 -14.484  -0.297
  841    H    GLU 108           H        GLU 108 232.271 -16.335   3.367
  842    HA   GLU 108           HA       GLU 108 229.614 -17.363   3.119
  843   1HB   GLU 108          1HB       GLU 108 232.252 -18.438   3.959
  844   2HB   GLU 108          2HB       GLU 108 230.826 -19.280   4.550
  845   1HG   GLU 108          1HG       GLU 108 230.041 -19.446   2.187
  846   2HG   GLU 108          2HG       GLU 108 231.599 -18.790   1.686
  847    H    GLU 109           H        GLU 109 231.416 -15.906   5.738
  848    HA   GLU 109           HA       GLU 109 230.263 -16.914   7.997
  849   1HB   GLU 109          1HB       GLU 109 231.970 -15.193   8.096
  850   2HB   GLU 109          2HB       GLU 109 230.868 -14.015   7.396
  851   1HG   GLU 109          1HG       GLU 109 230.122 -13.471   9.397
  852   2HG   GLU 109          2HG       GLU 109 229.646 -15.139   9.703
  853    H    TRP 110           H        TRP 110 228.857 -14.497   5.815
  854    HA   TRP 110           HA       TRP 110 226.364 -14.544   7.345
  855   1HB   TRP 110          1HB       TRP 110 225.804 -12.842   5.344
  856   2HB   TRP 110          2HB       TRP 110 226.566 -12.345   6.843
  857    HD1  TRP 110           HD1      TRP 110 229.082 -11.540   6.721
  858    HE1  TRP 110           HE1      TRP 110 230.575 -10.828   4.758
  859    HE3  TRP 110           HE3      TRP 110 226.364 -13.483   2.858
  860    HZ2  TRP 110           HZ2      TRP 110 230.613 -11.062   1.956
  861    HZ3  TRP 110           HZ3      TRP 110 227.197 -13.195   0.567
  862    HH2  TRP 110           HH2      TRP 110 229.284 -12.012   0.125
  863    H    ALA 111           H        ALA 111 227.508 -14.969   4.021
  864    HA   ALA 111           HA       ALA 111 226.474 -15.845   2.171
  865   1HB   ALA 111          1HB       ALA 111 226.103 -18.272   2.428
  866   2HB   ALA 111          2HB       ALA 111 227.615 -17.738   3.161
  867   3HB   ALA 111          3HB       ALA 111 226.218 -18.086   4.179
  868    H    ASP 112           H        ASP 112 224.716 -14.158   2.946
  869    HA   ASP 112           HA       ASP 112 222.540 -13.721   2.254
  870   1HB   ASP 112          1HB       ASP 112 222.010 -16.607   2.960
  871   2HB   ASP 112          2HB       ASP 112 220.717 -15.460   2.673
  872    H    VAL 113           H        VAL 113 223.300 -15.423   5.214
  873    HA   VAL 113           HA       VAL 113 222.845 -15.010   7.374
  874    HB   VAL 113           HB       VAL 113 221.892 -12.284   7.168
  875   1HG1  VAL 113          1HG1      VAL 113 224.377 -13.520   8.325
  876   2HG1  VAL 113          2HG1      VAL 113 223.821 -11.873   8.620
  877   3HG1  VAL 113          3HG1      VAL 113 222.854 -13.241   9.169
  878   1HG2  VAL 113          1HG2      VAL 113 224.136 -13.067   5.436
  879   2HG2  VAL 113          2HG2      VAL 113 223.020 -11.708   5.314
  880   3HG2  VAL 113          3HG2      VAL 113 224.377 -11.636   6.436
  881    H    THR 114           H        THR 114 221.125 -16.123   8.015
  882    HA   THR 114           HA       THR 114 218.455 -15.368   7.202
  883    HB   THR 114           HB       THR 114 217.783 -17.258   8.743
  884    HG1  THR 114           HG1      THR 114 219.366 -17.541  10.160
  885   1HG2  THR 114          1HG2      THR 114 218.131 -17.686   6.364
  886   2HG2  THR 114          2HG2      THR 114 219.840 -17.993   6.675
  887   3HG2  THR 114          3HG2      THR 114 218.613 -19.058   7.361
  888    H    GLU 115           H        GLU 115 220.454 -13.827   9.174
  889    HA   GLU 115           HA       GLU 115 218.331 -12.734  10.772
  890   1HB   GLU 115          1HB       GLU 115 219.531 -13.209  12.939
  891   2HB   GLU 115          2HB       GLU 115 218.734 -14.580  12.183
  892   1HG   GLU 115          1HG       GLU 115 220.632 -15.716  12.033
  893   2HG   GLU 115          2HG       GLU 115 221.483 -14.345  11.324
  894    H    THR 116           H        THR 116 218.851 -10.710  10.001
  895    HA   THR 116           HA       THR 116 221.254  -9.504  11.080
  896    HB   THR 116           HB       THR 116 220.578  -8.763   8.294
  897    HG1  THR 116           HG1      THR 116 220.962 -10.652   7.519
  898   1HG2  THR 116          1HG2      THR 116 222.653  -8.288  10.068
  899   2HG2  THR 116          2HG2      THR 116 223.311  -9.355   8.830
  900   3HG2  THR 116          3HG2      THR 116 222.554  -7.830   8.368
  901    H    ASN 117           H        ASN 117 221.209  -7.059  10.589
  902    HA   ASN 117           HA       ASN 117 218.936  -5.625   9.953
  903   1HB   ASN 117          1HB       ASN 117 218.404  -6.959  12.294
  904   2HB   ASN 117          2HB       ASN 117 219.001  -5.414  12.890
  905   2HD2  ASN 117          2HD2      ASN 117 216.801  -6.687  10.403
  906   1HD2  ASN 117          1HD2      ASN 117 215.576  -5.493  10.641
  907    H    ASP 118           H        ASP 118 218.998  -3.350  11.179
  908    HA   ASP 118           HA       ASP 118 221.435  -2.155  10.560
  909   1HB   ASP 118          1HB       ASP 118 219.218  -0.989  10.811
  910   2HB   ASP 118          2HB       ASP 118 219.440  -1.074  12.556
  911    H    ALA 119           H        ALA 119 220.632  -4.009  13.313
  912    HA   ALA 119           HA       ALA 119 222.076  -2.905  15.387
  913   1HB   ALA 119          1HB       ALA 119 221.788  -5.829  14.696
  914   2HB   ALA 119          2HB       ALA 119 220.681  -4.871  15.679
  915   3HB   ALA 119          3HB       ALA 119 222.316  -5.196  16.255
  916    H    LEU 120           H        LEU 120 223.256  -5.125  12.857
  917    HA   LEU 120           HA       LEU 120 225.940  -5.209  13.701
  918   1HB   LEU 120          1HB       LEU 120 224.583  -5.668  11.058
  919   2HB   LEU 120          2HB       LEU 120 226.331  -5.701  11.175
  920    HG   LEU 120           HG       LEU 120 225.940  -7.458  13.050
  921   1HD1  LEU 120          1HD1      LEU 120 223.267  -7.337  11.701
  922   2HD1  LEU 120          2HD1      LEU 120 223.858  -8.827  12.436
  923   3HD1  LEU 120          3HD1      LEU 120 223.642  -7.382  13.423
  924   1HD2  LEU 120          1HD2      LEU 120 226.977  -7.910  10.871
  925   2HD2  LEU 120          2HD2      LEU 120 225.958  -9.246  11.405
  926   3HD2  LEU 120          3HD2      LEU 120 225.377  -8.135  10.164
  927    H    LYS 121           H        LYS 121 224.251  -3.135  11.372
  928    HA   LYS 121           HA       LYS 121 224.704  -1.095  10.502
  929   1HB   LYS 121          1HB       LYS 121 225.541  -1.003  13.197
  930   2HB   LYS 121          2HB       LYS 121 226.780  -0.174  12.265
  931   1HG   LYS 121          1HG       LYS 121 225.489   1.607  11.982
  932   2HG   LYS 121          2HG       LYS 121 224.134   0.623  11.425
  933   1HD   LYS 121          1HD       LYS 121 223.333   1.682  13.355
  934   2HD   LYS 121          2HD       LYS 121 223.766   0.060  13.895
  935   1HE   LYS 121          1HE       LYS 121 225.947   2.008  14.067
  936   2HE   LYS 121          2HE       LYS 121 224.561   2.385  15.089
  937   1HZ   LYS 121          1HZ       LYS 121 224.719   0.117  16.000
  938   2HZ   LYS 121          2HZ       LYS 121 226.119  -0.145  15.087
  939   3HZ   LYS 121          3HZ       LYS 121 226.108   1.034  16.301
  940    H    MET 122           H        MET 122 226.675   0.436   9.900
  941    HA   MET 122           HA       MET 122 229.152  -0.861   9.309
  942   1HB   MET 122          1HB       MET 122 227.005  -1.144   7.424
  943   2HB   MET 122          2HB       MET 122 228.264  -0.147   6.712
  944   1HG   MET 122          1HG       MET 122 229.828  -1.841   6.784
  945   2HG   MET 122          2HG       MET 122 228.966  -2.724   8.043
  946   1HE   MET 122          1HE       MET 122 228.966  -1.346   4.620
  947   2HE   MET 122          2HE       MET 122 229.382  -2.910   3.925
  948   3HE   MET 122          3HE       MET 122 227.766  -2.252   3.698
  949    H    LYS 123           H        LYS 123 230.359   0.851   9.926
  950    HA   LYS 123           HA       LYS 123 229.758   3.525   9.852
  951   1HB   LYS 123          1HB       LYS 123 232.100   1.956  10.278
  952   2HB   LYS 123          2HB       LYS 123 232.532   3.295   9.223
  953   1HG   LYS 123          1HG       LYS 123 232.047   4.885  10.814
  954   2HG   LYS 123          2HG       LYS 123 230.943   3.823  11.691
  955   1HD   LYS 123          1HD       LYS 123 233.012   2.414  12.224
  956   2HD   LYS 123          2HD       LYS 123 233.949   3.806  11.677
  957   1HE   LYS 123          1HE       LYS 123 233.807   4.194  13.948
  958   2HE   LYS 123          2HE       LYS 123 232.447   5.133  13.335
  959   1HZ   LYS 123          1HZ       LYS 123 232.268   2.393  14.472
  960   2HZ   LYS 123          2HZ       LYS 123 231.844   3.817  15.279
  961   3HZ   LYS 123          3HZ       LYS 123 230.967   3.324  13.919
  962    H    GLN 124           H        GLN 124 230.885   1.511   7.221
  963    HA   GLN 124           HA       GLN 124 231.567   3.554   5.391
  964   1HB   GLN 124          1HB       GLN 124 231.527   0.736   5.447
  965   2HB   GLN 124          2HB       GLN 124 230.557   1.222   4.066
  966   1HG   GLN 124          1HG       GLN 124 232.929   0.827   3.511
  967   2HG   GLN 124          2HG       GLN 124 232.382   2.459   3.133
  968   2HE2  GLN 124          2HE2      GLN 124 234.367   3.422   3.212
  969   1HE2  GLN 124          1HE2      GLN 124 235.290   3.587   4.662
  970    H    LEU 125           H        LEU 125 228.804   1.330   5.117
  971    HA   LEU 125           HA       LEU 125 227.364   2.777   3.268
  972   1HB   LEU 125          1HB       LEU 125 226.009   1.033   3.398
  973   2HB   LEU 125          2HB       LEU 125 227.008   0.425   4.699
  974    HG   LEU 125           HG       LEU 125 224.901   2.336   5.510
  975   1HD1  LEU 125          1HD1      LEU 125 223.818   0.982   3.720
  976   2HD1  LEU 125          2HD1      LEU 125 224.159  -0.455   4.683
  977   3HD1  LEU 125          3HD1      LEU 125 223.100   0.802   5.321
  978   1HD2  LEU 125          1HD2      LEU 125 226.411   1.123   7.070
  979   2HD2  LEU 125          2HD2      LEU 125 224.698   0.845   7.372
  980   3HD2  LEU 125          3HD2      LEU 125 225.660  -0.384   6.553
  981    H    ASP 126           H        ASP 126 227.506   3.244   6.739
  982    HA   ASP 126           HA       ASP 126 225.193   4.958   6.825
  983   1HB   ASP 126          1HB       ASP 126 227.404   4.592   8.853
  984   2HB   ASP 126          2HB       ASP 126 225.914   5.487   9.129
  985    H    THR 127           H        THR 127 228.687   5.602   7.195
  986    HA   THR 127           HA       THR 127 228.432   8.411   7.184
  987    HB   THR 127           HB       THR 127 230.805   6.688   6.436
  988    HG1  THR 127           HG1      THR 127 230.639   6.301   8.504
  989   1HG2  THR 127          1HG2      THR 127 230.639   9.624   7.036
  990   2HG2  THR 127          2HG2      THR 127 232.130   8.693   7.173
  991   3HG2  THR 127          3HG2      THR 127 231.320   8.835   5.613
  992    H    TYR 128           H        TYR 128 228.566   6.053   4.609
  993    HA   TYR 128           HA       TYR 128 229.246   7.861   2.524
  994   1HB   TYR 128          1HB       TYR 128 228.179   5.067   2.649
  995   2HB   TYR 128          2HB       TYR 128 228.100   5.942   1.125
  996    HD1  TYR 128           HD1      TYR 128 230.803   6.133   3.673
  997    HD2  TYR 128           HD2      TYR 128 229.653   4.748  -0.183
  998    HE1  TYR 128           HE1      TYR 128 233.134   5.518   3.203
  999    HE2  TYR 128           HE2      TYR 128 231.981   4.131  -0.661
 1000    HH   TYR 128           HH       TYR 128 234.423   5.140   0.466
 1001    H    ILE 129           H        ILE 129 226.149   6.307   3.406
 1002    HA   ILE 129           HA       ILE 129 224.531   7.693   1.638
 1003    HB   ILE 129           HB       ILE 129 223.777   5.733   2.870
 1004   1HG1  ILE 129          1HG1      ILE 129 222.281   7.895   2.163
 1005   2HG1  ILE 129          2HG1      ILE 129 221.594   6.393   2.767
 1006   1HG2  ILE 129          1HG2      ILE 129 223.846   7.530   5.276
 1007   2HG2  ILE 129          2HG2      ILE 129 223.050   5.962   5.221
 1008   3HG2  ILE 129          3HG2      ILE 129 224.792   6.071   5.001
 1009   1HD1  ILE 129          1HD1      ILE 129 222.354   8.668   4.549
 1010   2HD1  ILE 129          2HD1      ILE 129 220.756   8.490   3.827
 1011   3HD1  ILE 129          3HD1      ILE 129 221.364   7.260   4.935
 1012    H    SER 130           H        SER 130 225.829   8.704   4.735
 1013    HA   SER 130           HA       SER 130 224.057  10.891   5.125
 1014   1HB   SER 130          1HB       SER 130 225.295   9.830   6.967
 1015   2HB   SER 130          2HB       SER 130 226.807  10.425   6.283
 1016    HG   SER 130           HG       SER 130 224.786  11.803   7.623
 1017    H    LYS 131           H        LYS 131 227.406  10.706   3.941
 1018    HA   LYS 131           HA       LYS 131 227.416  13.522   3.297
 1019   1HB   LYS 131          1HB       LYS 131 229.669  13.344   3.081
 1020   2HB   LYS 131          2HB       LYS 131 229.394  11.901   4.043
 1021   1HG   LYS 131          1HG       LYS 131 229.132  11.282   1.250
 1022   2HG   LYS 131          2HG       LYS 131 230.665  12.093   1.559
 1023   1HD   LYS 131          1HD       LYS 131 230.331  10.249   3.639
 1024   2HD   LYS 131          2HD       LYS 131 229.861   9.406   2.162
 1025   1HE   LYS 131          1HE       LYS 131 232.053  10.451   1.208
 1026   2HE   LYS 131          2HE       LYS 131 232.494  10.608   2.907
 1027   1HZ   LYS 131          1HZ       LYS 131 232.111   8.214   3.160
 1028   2HZ   LYS 131          2HZ       LYS 131 231.776   8.090   1.506
 1029   3HZ   LYS 131          3HZ       LYS 131 233.321   8.544   2.024
 1030    H    TYR 132           H        TYR 132 226.870  10.526   1.563
 1031    HA   TYR 132           HA       TYR 132 227.346  11.505  -1.034
 1032   1HB   TYR 132          1HB       TYR 132 226.110   9.092   0.097
 1033   2HB   TYR 132          2HB       TYR 132 225.550   9.542  -1.507
 1034    HD1  TYR 132           HD1      TYR 132 226.990   9.354  -3.431
 1035    HD2  TYR 132           HD2      TYR 132 228.510   8.551   0.461
 1036    HE1  TYR 132           HE1      TYR 132 228.990   8.331  -4.423
 1037    HE2  TYR 132           HE2      TYR 132 230.512   7.530  -0.523
 1038    HH   TYR 132           HH       TYR 132 231.654   7.973  -3.250
 1039    H    GLN 133           H        GLN 133 224.866  12.292   1.119
 1040    HA   GLN 133           HA       GLN 133 222.543  12.562  -0.224
 1041   1HB   GLN 133          1HB       GLN 133 223.900  14.142   1.830
 1042   2HB   GLN 133          2HB       GLN 133 222.725  15.063   0.903
 1043   1HG   GLN 133          1HG       GLN 133 221.354  12.764   1.456
 1044   2HG   GLN 133          2HG       GLN 133 222.325  12.987   2.909
 1045   2HE2  GLN 133          2HE2      GLN 133 219.379  13.480   1.837
 1046   1HE2  GLN 133          1HE2      GLN 133 218.974  14.969   2.614
 1047    H    ASP 134           H        ASP 134 225.421  14.498  -0.818
 1048    HA   ASP 134           HA       ASP 134 224.280  16.427  -2.518
 1049   1HB   ASP 134          1HB       ASP 134 226.891  15.672  -1.594
 1050   2HB   ASP 134          2HB       ASP 134 226.963  15.987  -3.322
 1051    HA   PRO 135           HA       PRO 135 223.898  14.839  -6.623
 1052   1HB   PRO 135          1HB       PRO 135 226.150  15.440  -8.102
 1053   2HB   PRO 135          2HB       PRO 135 224.785  16.526  -7.823
 1054   1HG   PRO 135          1HG       PRO 135 227.385  16.336  -6.358
 1055   2HG   PRO 135          2HG       PRO 135 226.520  17.781  -6.921
 1056   1HD   PRO 135          1HD       PRO 135 226.389  17.090  -4.381
 1057   2HD   PRO 135          2HD       PRO 135 224.914  17.620  -5.212
 1058    H    SER 136           H        SER 136 227.349  14.152  -5.796
 1059    HA   SER 136           HA       SER 136 226.818  11.349  -6.434
 1060   1HB   SER 136          1HB       SER 136 228.768  13.078  -7.934
 1061   2HB   SER 136          2HB       SER 136 228.916  11.321  -7.893
 1062    HG   SER 136           HG       SER 136 227.005  12.925  -9.140
 1063    H    GLN 137           H        GLN 137 229.151  13.691  -5.129
 1064    HA   GLN 137           HA       GLN 137 230.808  13.466  -3.584
 1065   1HB   GLN 137          1HB       GLN 137 229.047  11.164  -3.020
 1066   2HB   GLN 137          2HB       GLN 137 230.703  10.987  -2.462
 1067   1HG   GLN 137          1HG       GLN 137 229.208  11.900  -0.746
 1068   2HG   GLN 137          2HG       GLN 137 230.525  13.000  -1.157
 1069   2HE2  GLN 137          2HE2      GLN 137 227.471  12.316  -2.810
 1070   1HE2  GLN 137          1HE2      GLN 137 226.882  13.931  -2.761
 1071    H    ALA 138           H        ALA 138 231.161  12.834  -6.307
 1072    HA   ALA 138           HA       ALA 138 232.684  10.452  -6.636
 1073   1HB   ALA 138          1HB       ALA 138 231.408  11.429  -8.473
 1074   2HB   ALA 138          2HB       ALA 138 233.116  11.273  -8.886
 1075   3HB   ALA 138          3HB       ALA 138 232.455  12.849  -8.447
 1076    H    ASP 139           H        ASP 139 233.922  11.452  -4.552
 1077    HA   ASP 139           HA       ASP 139 235.917  12.071  -3.672
 1078   1HB   ASP 139          1HB       ASP 139 236.614  10.534  -5.684
 1079   2HB   ASP 139          2HB       ASP 139 237.192  12.041  -6.386
 1080    H    ALA 140           H        ALA 140 234.484  14.161  -3.688
 1081    HA   ALA 140           HA       ALA 140 236.061  16.308  -4.956
 1082   1HB   ALA 140          1HB       ALA 140 233.097  16.291  -4.394
 1083   2HB   ALA 140          2HB       ALA 140 234.009  17.652  -5.047
 1084   3HB   ALA 140          3HB       ALA 140 233.861  16.161  -5.978

  No H/Q in entry =        1084


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