*HEADER    INTIMIN                                 02-AUG-00   1E5U
*TITLE     NMR REPRESENTATIVE STRUCTURE OF INTIMIN-190 (INT190) FROM
*TITLE    2 ENTEROPATHOGENIC E. COLI
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: INTIMIN;
*COMPND   3 CHAIN: I;
*COMPND   4 FRAGMENT: C-TERMINAL 190 RESIDUE-FRAGMENT;
*COMPND   5 SYNONYM: INT190;
*COMPND   6 ENGINEERED: YES
*SOURCE    MOL_ID: 1;
*SOURCE   2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI;
*SOURCE   3 STRAIN: ENTEROPATHOGENIC SEROTYPE O127:H6;
*SOURCE   4 VARIANT: STRAIN E2348/69;
*SOURCE   5 CELL: BACTERIAL;
*SOURCE   6 CELLULAR_LOCATION: OUTER MEMBRANE/SURFACE;
*SOURCE   7 GENE: EAE;
*SOURCE   8 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE   9 EXPRESSION_SYSTEM_STRAIN: BL21;
*SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PET3A/PLYSS;
*SOURCE  11 EXPRESSION_SYSTEM_GENE: EAE [TRUNCATION];
*SOURCE  12 OTHER_DETAILS: RECOMBINANT
*KEYWDS    INTIMIN, ESCHERICHIA COLI, CELL ADHESION, OUTER MEMBRANE
*KEYWDS   2 PROTEIN, NMR SPECTROSCOPY
*EXPDTA    NMR, REGULARIZED MEAN STRUCTURE
*AUTHOR    S.PRASANNAN,S.J.MATTHEWS,M.BATCHELOR,S.DANIELL,S.REECE,
*AUTHOR   2 G.FRANKEL,G.DOUGAN,I.CONNERTON,G.BLOOMBERG
*REVDAT   1   16-AUG-00 1E5U    0




  Entry H atom name         Submitted Coord H atom name
    1    H1   THR   1           H1       THR   1 174.428   4.564  -0.053
    2    H2   THR   1           H2       THR   1 175.464   5.856   0.326
    3    H3   THR   1           H3       THR   1 175.949   4.262   0.641
    4    HA   THR   1           HA       THR   1 174.716   4.088   2.532
    5    HB   THR   1           HB       THR   1 174.521   6.924   2.929
    6    HG1  THR   1           HG1      THR   1 177.055   6.329   1.966
    7   1HG2  THR   1          1HG2      THR   1 175.721   4.634   4.083
    8   2HG2  THR   1          2HG2      THR   1 177.016   5.801   3.817
    9   3HG2  THR   1          3HG2      THR   1 175.607   6.251   4.776
   10    H    LEU   2           H        LEU   2 172.653   3.393   1.348
   11    HA   LEU   2           HA       LEU   2 170.570   5.493   1.133
   12   1HB   LEU   2          1HB       LEU   2 170.447   4.027  -0.664
   13   2HB   LEU   2          2HB       LEU   2 170.980   2.647   0.296
   14    HG   LEU   2           HG       LEU   2 168.387   3.863   1.086
   15   1HD1  LEU   2          1HD1      LEU   2 168.921   2.650  -1.595
   16   2HD1  LEU   2          2HD1      LEU   2 167.417   2.223  -0.778
   17   3HD1  LEU   2          3HD1      LEU   2 167.774   3.911  -1.144
   18   1HD2  LEU   2          1HD2      LEU   2 169.814   1.285   1.163
   19   2HD2  LEU   2          2HD2      LEU   2 168.622   1.944   2.284
   20   3HD2  LEU   2          3HD2      LEU   2 168.093   1.141   0.806
   21    H    THR   3           H        THR   3 169.203   5.890   2.825
   22    HA   THR   3           HA       THR   3 168.632   3.667   4.766
   23    HB   THR   3           HB       THR   3 170.280   5.042   5.853
   24    HG1  THR   3           HG1      THR   3 168.780   4.813   7.353
   25   1HG2  THR   3          1HG2      THR   3 168.762   7.273   4.536
   26   2HG2  THR   3          2HG2      THR   3 169.718   7.600   5.981
   27   3HG2  THR   3          3HG2      THR   3 170.497   6.956   4.535
   28    H    ILE   4           H        ILE   4 166.534   3.282   4.654
   29    HA   ILE   4           HA       ILE   4 164.673   5.567   4.113
   30    HB   ILE   4           HB       ILE   4 163.425   4.075   2.804
   31   1HG1  ILE   4          1HG1      ILE   4 164.577   2.028   4.662
   32   2HG1  ILE   4          2HG1      ILE   4 164.072   1.504   3.055
   33   1HG2  ILE   4          1HG2      ILE   4 165.752   4.445   1.904
   34   2HG2  ILE   4          2HG2      ILE   4 166.212   2.899   2.616
   35   3HG2  ILE   4          3HG2      ILE   4 164.994   2.956   1.342
   36   1HD1  ILE   4          1HD1      ILE   4 162.198   3.254   4.585
   37   2HD1  ILE   4          2HD1      ILE   4 161.844   1.933   3.471
   38   3HD1  ILE   4          3HD1      ILE   4 162.364   1.581   5.119
   39    H    ASP   5           H        ASP   5 162.917   5.862   5.468
   40    HA   ASP   5           HA       ASP   5 162.891   4.391   8.035
   41   1HB   ASP   5          1HB       ASP   5 162.557   6.988   7.347
   42   2HB   ASP   5          2HB       ASP   5 160.872   6.467   7.329
   43    H    ASP   6           H        ASP   6 161.336   2.856   8.531
   44    HA   ASP   6           HA       ASP   6 159.085   2.394   6.574
   45   1HB   ASP   6          1HB       ASP   6 160.917   0.747   6.443
   46   2HB   ASP   6          2HB       ASP   6 160.774   0.451   8.176
   47    H    GLY   7           H        GLY   7 159.446   3.720   9.471
   48   1HA   GLY   7          1HA       GLY   7 157.560   2.046  10.994
   49   2HA   GLY   7          2HA       GLY   7 158.279   3.561  11.546
   50    H    ASN   8           H        ASN   8 157.546   5.037   9.133
   51    HA   ASN   8           HA       ASN   8 154.624   5.365   9.679
   52   1HB   ASN   8          1HB       ASN   8 155.023   7.675   9.131
   53   2HB   ASN   8          2HB       ASN   8 156.630   7.302   8.505
   54   2HD2  ASN   8          2HD2      ASN   8 154.917   8.256  11.314
   55   1HD2  ASN   8          1HD2      ASN   8 156.159   8.001  12.443
   56    H    ILE   9           H        ILE   9 153.852   3.924   7.860
   57    HA   ILE   9           HA       ILE   9 155.093   4.550   5.263
   58    HB   ILE   9           HB       ILE   9 153.729   2.494   4.526
   59   1HG1  ILE   9          1HG1      ILE   9 153.003   1.153   6.644
   60   2HG1  ILE   9          2HG1      ILE   9 152.989   2.727   7.439
   61   1HG2  ILE   9          1HG2      ILE   9 156.144   2.545   5.481
   62   2HG2  ILE   9          2HG2      ILE   9 155.416   1.905   6.955
   63   3HG2  ILE   9          3HG2      ILE   9 155.300   0.996   5.448
   64   1HD1  ILE   9          1HD1      ILE   9 151.644   2.899   4.872
   65   2HD1  ILE   9          2HD1      ILE   9 150.932   1.609   5.840
   66   3HD1  ILE   9          3HD1      ILE   9 151.005   3.252   6.476
   67    H    GLU  10           H        GLU  10 153.912   5.505   3.527
   68    HA   GLU  10           HA       GLU  10 151.254   6.599   4.314
   69   1HB   GLU  10          1HB       GLU  10 153.558   7.534   2.936
   70   2HB   GLU  10          2HB       GLU  10 152.265   7.449   1.738
   71   1HG   GLU  10          1HG       GLU  10 150.875   8.918   2.959
   72   2HG   GLU  10          2HG       GLU  10 151.806   8.704   4.441
   73    H    ILE  11           H        ILE  11 149.653   5.290   3.798
   74    HA   ILE  11           HA       ILE  11 149.816   3.307   1.640
   75    HB   ILE  11           HB       ILE  11 148.130   4.021   3.989
   76   1HG1  ILE  11          1HG1      ILE  11 150.070   2.389   3.994
   77   2HG1  ILE  11          2HG1      ILE  11 148.541   1.700   4.548
   78   1HG2  ILE  11          1HG2      ILE  11 147.115   2.780   1.491
   79   2HG2  ILE  11          2HG2      ILE  11 146.713   1.932   2.983
   80   3HG2  ILE  11          3HG2      ILE  11 146.236   3.616   2.771
   81   1HD1  ILE  11          1HD1      ILE  11 148.905   1.541   1.644
   82   2HD1  ILE  11          2HD1      ILE  11 150.118   0.635   2.548
   83   3HD1  ILE  11          3HD1      ILE  11 148.403   0.286   2.778
   84    H    VAL  12           H        VAL  12 148.731   3.319  -0.208
   85    HA   VAL  12           HA       VAL  12 147.876   5.274  -1.794
   86    HB   VAL  12           HB       VAL  12 146.937   2.515  -1.198
   87   1HG1  VAL  12          1HG1      VAL  12 145.436   4.436  -2.984
   88   2HG1  VAL  12          2HG1      VAL  12 145.298   2.682  -3.126
   89   3HG1  VAL  12          3HG1      VAL  12 144.802   3.489  -1.639
   90   1HG2  VAL  12          1HG2      VAL  12 148.632   3.857  -3.093
   91   2HG2  VAL  12          2HG2      VAL  12 148.426   2.128  -2.831
   92   3HG2  VAL  12          3HG2      VAL  12 147.376   2.976  -3.961
   93    H    GLY  13           H        GLY  13 146.408   4.489   1.180
   94   1HA   GLY  13          1HA       GLY  13 143.750   5.248   0.919
   95   2HA   GLY  13          2HA       GLY  13 144.693   5.507   2.377
   96    H    THR  14           H        THR  14 144.157   7.546   2.954
   97    HA   THR  14           HA       THR  14 144.135   9.679   0.886
   98    HB   THR  14           HB       THR  14 143.473  10.256   3.715
   99    HG1  THR  14           HG1      THR  14 141.467   9.105   3.454
  100   1HG2  THR  14          1HG2      THR  14 142.433  10.831   0.971
  101   2HG2  THR  14          2HG2      THR  14 141.320  10.971   2.332
  102   3HG2  THR  14          3HG2      THR  14 142.790  11.945   2.290
  103    H    GLY  15           H        GLY  15 146.697   8.440   1.946
  104   1HA   GLY  15          1HA       GLY  15 148.798   9.498   2.253
  105   2HA   GLY  15          2HA       GLY  15 147.965  11.001   2.647
  106    H    VAL  16           H        VAL  16 147.416   7.800   4.140
  107    HA   VAL  16           HA       VAL  16 148.043   9.091   6.761
  108    HB   VAL  16           HB       VAL  16 146.607   7.439   7.678
  109   1HG1  VAL  16          1HG1      VAL  16 145.723   8.983   5.576
  110   2HG1  VAL  16          2HG1      VAL  16 145.197   7.369   5.097
  111   3HG1  VAL  16          3HG1      VAL  16 144.681   8.043   6.643
  112   1HG2  VAL  16          1HG2      VAL  16 147.464   5.876   5.270
  113   2HG2  VAL  16          2HG2      VAL  16 147.375   5.370   6.958
  114   3HG2  VAL  16          3HG2      VAL  16 145.902   5.499   5.996
  115    H    LYS  17           H        LYS  17 149.812   8.396   7.970
  116    HA   LYS  17           HA       LYS  17 151.308   6.086   6.818
  117   1HB   LYS  17          1HB       LYS  17 153.329   7.418   7.752
  118   2HB   LYS  17          2HB       LYS  17 152.533   8.058   6.313
  119   1HG   LYS  17          1HG       LYS  17 151.225   9.605   7.686
  120   2HG   LYS  17          2HG       LYS  17 151.932   8.932   9.155
  121   1HD   LYS  17          1HD       LYS  17 154.215   9.544   8.040
  122   2HD   LYS  17          2HD       LYS  17 153.241  10.618   7.034
  123   1HE   LYS  17          1HE       LYS  17 152.267  11.586   9.171
  124   2HE   LYS  17          2HE       LYS  17 153.499  10.665  10.057
  125   1HZ   LYS  17          1HZ       LYS  17 154.231  12.340   7.738
  126   2HZ   LYS  17          2HZ       LYS  17 154.093  13.025   9.287
  127   3HZ   LYS  17          3HZ       LYS  17 155.219  11.785   9.000
  128    H    GLY  18           H        GLY  18 151.275   4.417   8.187
  129   1HA   GLY  18          1HA       GLY  18 152.080   4.705  10.967
  130   2HA   GLY  18          2HA       GLY  18 150.373   4.281  10.794
  131    H    LYS  19           H        LYS  19 149.899   2.144  10.539
  132    HA   LYS  19           HA       LYS  19 152.149   0.259   9.918
  133   1HB   LYS  19          1HB       LYS  19 151.041   0.036  12.113
  134   2HB   LYS  19          2HB       LYS  19 149.472  -0.082  11.315
  135   1HG   LYS  19          1HG       LYS  19 151.204  -1.991  10.096
  136   2HG   LYS  19          2HG       LYS  19 149.767  -2.296  11.072
  137   1HD   LYS  19          1HD       LYS  19 152.106  -1.509  12.663
  138   2HD   LYS  19          2HD       LYS  19 150.999  -2.864  12.890
  139   1HE   LYS  19          1HE       LYS  19 152.255  -3.817  10.744
  140   2HE   LYS  19          2HE       LYS  19 152.985  -3.988  12.352
  141   1HZ   LYS  19          1HZ       LYS  19 153.407  -1.492  10.860
  142   2HZ   LYS  19          2HZ       LYS  19 154.435  -2.273  11.966
  143   3HZ   LYS  19          3HZ       LYS  19 154.293  -2.861  10.382
  144    H    LEU  20           H        LEU  20 151.777  -1.317   8.277
  145    HA   LEU  20           HA       LEU  20 149.836  -0.539   6.219
  146   1HB   LEU  20          1HB       LEU  20 152.106  -1.277   5.667
  147   2HB   LEU  20          2HB       LEU  20 151.830  -2.813   6.491
  148    HG   LEU  20           HG       LEU  20 149.749  -2.907   4.820
  149   1HD1  LEU  20          1HD1      LEU  20 151.156  -0.615   3.938
  150   2HD1  LEU  20          2HD1      LEU  20 151.465  -1.874   2.743
  151   3HD1  LEU  20          3HD1      LEU  20 149.807  -1.417   3.134
  152   1HD2  LEU  20          1HD2      LEU  20 151.588  -4.560   4.992
  153   2HD2  LEU  20          2HD2      LEU  20 151.161  -4.248   3.309
  154   3HD2  LEU  20          3HD2      LEU  20 152.609  -3.516   4.003
  155    HA   PRO  21           HA       PRO  21 146.975  -3.492   7.971
  156   1HB   PRO  21          1HB       PRO  21 144.739  -2.364   6.873
  157   2HB   PRO  21          2HB       PRO  21 145.537  -1.716   8.314
  158   1HG   PRO  21          1HG       PRO  21 145.844   0.165   7.121
  159   2HG   PRO  21          2HG       PRO  21 145.463  -0.646   5.597
  160   1HD   PRO  21          1HD       PRO  21 148.041   0.049   6.626
  161   2HD   PRO  21          2HD       PRO  21 147.655  -0.809   5.118
  162    H    THR  22           H        THR  22 144.769  -3.105   5.502
  163    HA   THR  22           HA       THR  22 146.075  -5.022   3.623
  164    HB   THR  22           HB       THR  22 145.095  -6.429   5.288
  165    HG1  THR  22           HG1      THR  22 143.101  -6.156   3.304
  166   1HG2  THR  22          1HG2      THR  22 142.721  -4.565   5.073
  167   2HG2  THR  22          2HG2      THR  22 142.656  -6.121   5.900
  168   3HG2  THR  22          3HG2      THR  22 143.734  -4.855   6.488
  169    H    VAL  23           H        VAL  23 144.297  -2.225   3.995
  170    HA   VAL  23           HA       VAL  23 142.894  -2.662   1.371
  171    HB   VAL  23           HB       VAL  23 141.943  -1.117   3.792
  172   1HG1  VAL  23          1HG1      VAL  23 140.989  -1.470   1.017
  173   2HG1  VAL  23          2HG1      VAL  23 139.758  -1.700   2.259
  174   3HG1  VAL  23          3HG1      VAL  23 140.647  -0.180   2.169
  175   1HG2  VAL  23          1HG2      VAL  23 141.856  -3.956   3.102
  176   2HG2  VAL  23          2HG2      VAL  23 141.440  -3.163   4.621
  177   3HG2  VAL  23          3HG2      VAL  23 140.244  -3.279   3.330
  178    H    TRP  24           H        TRP  24 142.849  -0.862  -0.048
  179    HA   TRP  24           HA       TRP  24 144.675   1.409   0.644
  180   1HB   TRP  24          1HB       TRP  24 143.694   0.071  -1.854
  181   2HB   TRP  24          2HB       TRP  24 144.189   1.752  -1.948
  182    HD1  TRP  24           HD1      TRP  24 146.050  -0.216   0.620
  183    HE1  TRP  24           HE1      TRP  24 148.440  -0.708  -0.223
  184    HE3  TRP  24           HE3      TRP  24 145.579   1.197  -4.260
  185    HZ2  TRP  24           HZ2      TRP  24 149.947  -0.529  -2.639
  186    HZ3  TRP  24           HZ3      TRP  24 147.502   1.028  -5.808
  187    HH2  TRP  24           HH2      TRP  24 149.686   0.165  -5.006
  188    H    LEU  25           H        LEU  25 143.814   3.529   0.696
  189    HA   LEU  25           HA       LEU  25 140.844   3.709   0.297
  190   1HB   LEU  25          1HB       LEU  25 142.439   5.564   2.050
  191   2HB   LEU  25          2HB       LEU  25 140.761   5.068   2.207
  192    HG   LEU  25           HG       LEU  25 141.719   3.862   3.934
  193   1HD1  LEU  25          1HD1      LEU  25 141.045   2.366   1.674
  194   2HD1  LEU  25          2HD1      LEU  25 142.558   1.662   2.245
  195   3HD1  LEU  25          3HD1      LEU  25 141.176   1.774   3.328
  196   1HD2  LEU  25          1HD2      LEU  25 144.185   3.629   2.191
  197   2HD2  LEU  25          2HD2      LEU  25 144.016   4.493   3.715
  198   3HD2  LEU  25          3HD2      LEU  25 144.000   2.731   3.693
  199    H    GLN  26           H        GLN  26 140.745   4.619  -1.812
  200    HA   GLN  26           HA       GLN  26 140.501   6.990  -2.719
  201   1HB   GLN  26          1HB       GLN  26 143.304   6.983  -1.605
  202   2HB   GLN  26          2HB       GLN  26 142.823   8.151  -2.828
  203   1HG   GLN  26          1HG       GLN  26 140.820   7.946  -0.727
  204   2HG   GLN  26          2HG       GLN  26 142.398   8.392  -0.078
  205   2HE2  GLN  26          2HE2      GLN  26 139.622   9.666  -1.564
  206   1HE2  GLN  26          1HE2      GLN  26 140.272  11.153  -2.064
  207    H    TYR  27           H        TYR  27 142.617   7.812  -4.445
  208    HA   TYR  27           HA       TYR  27 142.191   6.335  -6.802
  209   1HB   TYR  27          1HB       TYR  27 144.284   8.195  -5.750
  210   2HB   TYR  27          2HB       TYR  27 144.469   7.488  -7.354
  211    HD1  TYR  27           HD1      TYR  27 141.843   7.362  -8.478
  212    HD2  TYR  27           HD2      TYR  27 143.513  10.389  -5.929
  213    HE1  TYR  27           HE1      TYR  27 140.238   9.017  -9.392
  214    HE2  TYR  27           HE2      TYR  27 141.908  12.044  -6.843
  215    HH   TYR  27           HH       TYR  27 139.775  12.111  -7.960
  216    H    GLY  28           H        GLY  28 145.183   6.226  -4.827
  217   1HA   GLY  28          1HA       GLY  28 145.766   3.654  -4.455
  218   2HA   GLY  28          2HA       GLY  28 145.955   3.745  -6.199
  219    H    GLN  29           H        GLN  29 147.055   5.563  -3.260
  220    HA   GLN  29           HA       GLN  29 149.737   5.708  -4.608
  221   1HB   GLN  29          1HB       GLN  29 148.670   7.799  -5.023
  222   2HB   GLN  29          2HB       GLN  29 148.070   7.900  -3.368
  223   1HG   GLN  29          1HG       GLN  29 150.463   7.985  -2.585
  224   2HG   GLN  29          2HG       GLN  29 150.953   8.101  -4.276
  225   2HE2  GLN  29          2HE2      GLN  29 150.473  10.037  -1.659
  226   1HE2  GLN  29          1HE2      GLN  29 149.962  11.461  -2.431
  227    H    VAL  30           H        VAL  30 151.477   5.306  -3.240
  228    HA   VAL  30           HA       VAL  30 150.982   5.512  -0.304
  229    HB   VAL  30           HB       VAL  30 151.158   3.279  -0.077
  230   1HG1  VAL  30          1HG1      VAL  30 151.491   3.368  -3.086
  231   2HG1  VAL  30          2HG1      VAL  30 151.361   1.858  -2.184
  232   3HG1  VAL  30          3HG1      VAL  30 150.028   3.011  -2.170
  233   1HG2  VAL  30          1HG2      VAL  30 153.729   3.529  -1.677
  234   2HG2  VAL  30          2HG2      VAL  30 153.584   3.603   0.080
  235   3HG2  VAL  30          3HG2      VAL  30 153.238   2.097  -0.771
  236    H    ASN  31           H        ASN  31 152.945   5.965   0.909
  237    HA   ASN  31           HA       ASN  31 155.272   6.679  -0.828
  238   1HB   ASN  31          1HB       ASN  31 153.754   8.620  -0.311
  239   2HB   ASN  31          2HB       ASN  31 154.130   8.391   1.397
  240   2HD2  ASN  31          2HD2      ASN  31 154.886  10.569  -0.744
  241   1HD2  ASN  31          1HD2      ASN  31 156.557  10.760  -0.510
  242    H    LEU  32           H        LEU  32 157.124   5.824  -0.053
  243    HA   LEU  32           HA       LEU  32 157.264   5.043   2.839
  244   1HB   LEU  32          1HB       LEU  32 157.502   3.499   0.642
  245   2HB   LEU  32          2HB       LEU  32 159.179   4.029   0.786
  246    HG   LEU  32           HG       LEU  32 159.030   3.346   3.249
  247   1HD1  LEU  32          1HD1      LEU  32 156.567   1.930   2.184
  248   2HD1  LEU  32          2HD1      LEU  32 157.283   1.679   3.777
  249   3HD1  LEU  32          3HD1      LEU  32 156.569   3.239   3.366
  250   1HD2  LEU  32          1HD2      LEU  32 159.619   1.891   0.921
  251   2HD2  LEU  32          2HD2      LEU  32 160.109   1.483   2.565
  252   3HD2  LEU  32          3HD2      LEU  32 158.626   0.805   1.894
  253    H    LYS  33           H        LYS  33 159.328   5.539   3.945
  254    HA   LYS  33           HA       LYS  33 160.684   7.956   2.790
  255   1HB   LYS  33          1HB       LYS  33 160.073   6.790   5.421
  256   2HB   LYS  33          2HB       LYS  33 161.698   7.466   5.299
  257   1HG   LYS  33          1HG       LYS  33 160.319   9.440   4.087
  258   2HG   LYS  33          2HG       LYS  33 160.594   9.406   5.829
  259   1HD   LYS  33          1HD       LYS  33 158.105   8.823   4.281
  260   2HD   LYS  33          2HD       LYS  33 158.383   7.902   5.759
  261   1HE   LYS  33          1HE       LYS  33 158.762  10.098   6.962
  262   2HE   LYS  33          2HE       LYS  33 157.116   9.918   6.322
  263   1HZ   LYS  33          1HZ       LYS  33 157.942  11.030   4.266
  264   2HZ   LYS  33          2HZ       LYS  33 157.958  12.038   5.633
  265   3HZ   LYS  33          3HZ       LYS  33 159.403  11.354   5.070
  266    H    ALA  34           H        ALA  34 162.225   7.395   1.432
  267    HA   ALA  34           HA       ALA  34 164.572   5.802   2.397
  268   1HB   ALA  34          1HB       ALA  34 164.569   5.108  -0.183
  269   2HB   ALA  34          2HB       ALA  34 162.834   5.392  -0.038
  270   3HB   ALA  34          3HB       ALA  34 163.612   4.171   0.968
  271    H    SER  35           H        SER  35 166.439   6.873   2.059
  272    HA   SER  35           HA       SER  35 166.191   9.171   0.183
  273   1HB   SER  35          1HB       SER  35 166.678   9.190   2.921
  274   2HB   SER  35          2HB       SER  35 168.293   9.374   2.241
  275    HG   SER  35           HG       SER  35 167.066  11.362   2.564
  276    H    GLY  36           H        GLY  36 167.972   9.539  -1.212
  277   1HA   GLY  36          1HA       GLY  36 169.352   7.352  -2.250
  278   2HA   GLY  36          2HA       GLY  36 169.873   9.018  -2.469
  279    H    GLY  37           H        GLY  37 171.974   9.175  -1.980
  280   1HA   GLY  37          1HA       GLY  37 172.961   8.278   0.632
  281   2HA   GLY  37          2HA       GLY  37 173.687   7.464  -0.755
  282    H    ASN  38           H        ASN  38 175.441   8.498  -1.748
  283    HA   ASN  38           HA       ASN  38 175.997  11.266  -0.779
  284   1HB   ASN  38          1HB       ASN  38 177.483   8.862  -1.190
  285   2HB   ASN  38          2HB       ASN  38 178.156  10.113  -2.234
  286   2HD2  ASN  38          2HD2      ASN  38 180.080  10.297  -0.846
  287   1HD2  ASN  38          1HD2      ASN  38 179.991  11.064   0.665
  288    H    GLY  39           H        GLY  39 175.821   9.405  -3.834
  289   1HA   GLY  39          1HA       GLY  39 175.650  12.051  -5.219
  290   2HA   GLY  39          2HA       GLY  39 176.715  10.796  -5.833
  291    H    LYS  40           H        LYS  40 175.858   9.223  -7.170
  292    HA   LYS  40           HA       LYS  40 173.290   9.743  -8.413
  293   1HB   LYS  40          1HB       LYS  40 175.217   8.965  -9.646
  294   2HB   LYS  40          2HB       LYS  40 175.348   7.535  -8.621
  295   1HG   LYS  40          1HG       LYS  40 173.821   6.426  -9.851
  296   2HG   LYS  40          2HG       LYS  40 172.679   7.765  -9.735
  297   1HD   LYS  40          1HD       LYS  40 174.643   8.709 -11.474
  298   2HD   LYS  40          2HD       LYS  40 173.047   8.113 -11.935
  299   1HE   LYS  40          1HE       LYS  40 175.703   6.778 -12.147
  300   2HE   LYS  40          2HE       LYS  40 174.334   5.747 -11.687
  301   1HZ   LYS  40          1HZ       LYS  40 173.901   7.719 -13.801
  302   2HZ   LYS  40          2HZ       LYS  40 174.817   6.345 -14.200
  303   3HZ   LYS  40          3HZ       LYS  40 173.235   6.167 -13.616
  304    H    TYR  41           H        TYR  41 171.399   9.169  -7.522
  305    HA   TYR  41           HA       TYR  41 171.158   6.480  -6.199
  306   1HB   TYR  41          1HB       TYR  41 169.330   7.642  -4.871
  307   2HB   TYR  41          2HB       TYR  41 170.946   8.267  -4.559
  308    HD1  TYR  41           HD1      TYR  41 167.757   8.895  -6.329
  309    HD2  TYR  41           HD2      TYR  41 171.588  10.495  -5.229
  310    HE1  TYR  41           HE1      TYR  41 167.020  11.152  -7.046
  311    HE2  TYR  41           HE2      TYR  41 170.852  12.752  -5.946
  312    HH   TYR  41           HH       TYR  41 167.553  13.299  -7.188
  313    H    THR  42           H        THR  42 169.278   5.268  -6.906
  314    HA   THR  42           HA       THR  42 167.807   6.631  -9.102
  315    HB   THR  42           HB       THR  42 167.993   3.653  -8.997
  316    HG1  THR  42           HG1      THR  42 170.138   5.423  -9.526
  317   1HG2  THR  42          1HG2      THR  42 166.887   5.122 -10.810
  318   2HG2  THR  42          2HG2      THR  42 168.533   5.523 -11.300
  319   3HG2  THR  42          3HG2      THR  42 167.981   3.849 -11.352
  320    H    TRP  43           H        TRP  43 165.544   6.703  -8.842
  321    HA   TRP  43           HA       TRP  43 164.332   4.950  -6.716
  322   1HB   TRP  43          1HB       TRP  43 163.790   7.789  -7.638
  323   2HB   TRP  43          2HB       TRP  43 162.716   6.908  -6.554
  324    HD1  TRP  43           HD1      TRP  43 166.552   6.752  -6.409
  325    HE1  TRP  43           HE1      TRP  43 167.315   7.652  -4.137
  326    HE3  TRP  43           HE3      TRP  43 162.076   8.354  -4.570
  327    HZ2  TRP  43           HZ2      TRP  43 166.181   8.919  -1.827
  328    HZ3  TRP  43           HZ3      TRP  43 161.948   9.409  -2.335
  329    HH2  TRP  43           HH2      TRP  43 163.988   9.697  -0.964
  330    H    ARG  44           H        ARG  44 162.469   3.853  -7.257
  331    HA   ARG  44           HA       ARG  44 161.085   4.530  -9.800
  332   1HB   ARG  44          1HB       ARG  44 162.895   2.274  -9.319
  333   2HB   ARG  44          2HB       ARG  44 161.286   1.736  -9.803
  334   1HG   ARG  44          1HG       ARG  44 161.466   3.516 -11.671
  335   2HG   ARG  44          2HG       ARG  44 163.192   3.529 -11.304
  336   1HD   ARG  44          1HD       ARG  44 162.406   0.795 -11.467
  337   2HD   ARG  44          2HD       ARG  44 161.745   1.624 -12.891
  338    HE   ARG  44           HE       ARG  44 163.969   1.780 -13.648
  339   1HH1  ARG  44          1HH1      ARG  44 165.122   3.858 -12.236
  340   2HH1  ARG  44          2HH1      ARG  44 166.256   3.146 -11.138
  341   1HH2  ARG  44          1HH2      ARG  44 164.877  -0.028 -11.354
  342   2HH2  ARG  44          2HH2      ARG  44 166.117   0.946 -10.638
  343    H    SER  45           H        SER  45 158.915   4.440  -9.331
  344    HA   SER  45           HA       SER  45 158.080   2.626  -7.119
  345   1HB   SER  45          1HB       SER  45 156.842   5.325  -7.435
  346   2HB   SER  45          2HB       SER  45 157.099   4.382  -5.973
  347    HG   SER  45           HG       SER  45 158.675   5.828  -5.826
  348    H    ALA  46           H        ALA  46 156.517   1.284  -7.832
  349    HA   ALA  46           HA       ALA  46 154.647   0.497  -9.111
  350   1HB   ALA  46          1HB       ALA  46 153.343   2.162  -8.152
  351   2HB   ALA  46          2HB       ALA  46 154.331   3.463  -8.814
  352   3HB   ALA  46          3HB       ALA  46 153.217   2.582  -9.859
  353    H    ASN  47           H        ASN  47 157.089   2.498 -10.399
  354    HA   ASN  47           HA       ASN  47 158.014   2.487 -12.578
  355   1HB   ASN  47          1HB       ASN  47 157.364   0.736 -13.885
  356   2HB   ASN  47          2HB       ASN  47 156.332   0.292 -12.530
  357   2HD2  ASN  47          2HD2      ASN  47 154.413  -0.383 -13.512
  358   1HD2  ASN  47          1HD2      ASN  47 153.547   0.520 -14.657
  359    HA   PRO  48           HA       PRO  48 156.040   6.271 -13.621
  360   1HB   PRO  48          1HB       PRO  48 157.321   6.767 -16.000
  361   2HB   PRO  48          2HB       PRO  48 158.082   7.000 -14.413
  362   1HG   PRO  48          1HG       PRO  48 159.575   5.512 -15.362
  363   2HG   PRO  48          2HG       PRO  48 158.310   4.692 -16.295
  364   1HD   PRO  48          1HD       PRO  48 158.533   3.166 -14.566
  365   2HD   PRO  48          2HD       PRO  48 159.025   4.415 -13.398
  366    H    ALA  49           H        ALA  49 156.205   3.648 -15.961
  367    HA   ALA  49           HA       ALA  49 154.349   4.542 -17.909
  368   1HB   ALA  49          1HB       ALA  49 154.223   2.207 -18.453
  369   2HB   ALA  49          2HB       ALA  49 154.620   1.741 -16.798
  370   3HB   ALA  49          3HB       ALA  49 155.850   2.476 -17.827
  371    H    ILE  50           H        ILE  50 153.819   3.578 -14.589
  372    HA   ILE  50           HA       ILE  50 150.864   3.639 -15.115
  373    HB   ILE  50           HB       ILE  50 152.155   1.457 -14.427
  374   1HG1  ILE  50          1HG1      ILE  50 149.698   1.711 -14.630
  375   2HG1  ILE  50          2HG1      ILE  50 150.124   0.720 -13.232
  376   1HG2  ILE  50          1HG2      ILE  50 153.257   2.566 -12.461
  377   2HG2  ILE  50          2HG2      ILE  50 151.660   2.767 -11.734
  378   3HG2  ILE  50          3HG2      ILE  50 152.305   1.148 -12.015
  379   1HD1  ILE  50          1HD1      ILE  50 150.158   3.158 -12.064
  380   2HD1  ILE  50          2HD1      ILE  50 148.961   3.458 -13.325
  381   3HD1  ILE  50          3HD1      ILE  50 148.701   2.165 -12.154
  382    H    ALA  51           H        ALA  51 153.409   4.405 -12.742
  383    HA   ALA  51           HA       ALA  51 151.358   6.120 -11.413
  384   1HB   ALA  51          1HB       ALA  51 152.625   5.511  -9.311
  385   2HB   ALA  51          2HB       ALA  51 153.557   4.382 -10.293
  386   3HB   ALA  51          3HB       ALA  51 151.817   4.163 -10.111
  387    H    SER  52           H        SER  52 152.235   8.002 -10.286
  388    HA   SER  52           HA       SER  52 154.755   9.087 -11.487
  389   1HB   SER  52          1HB       SER  52 152.308  10.227 -10.120
  390   2HB   SER  52          2HB       SER  52 153.761  11.201 -10.321
  391    HG   SER  52           HG       SER  52 153.545  11.086 -12.489
  392    H    VAL  53           H        VAL  53 156.593   9.001 -10.137
  393    HA   VAL  53           HA       VAL  53 156.007   8.532  -7.260
  394    HB   VAL  53           HB       VAL  53 157.678   6.974  -7.251
  395   1HG1  VAL  53          1HG1      VAL  53 156.062   6.669  -9.290
  396   2HG1  VAL  53          2HG1      VAL  53 157.490   7.051 -10.252
  397   3HG1  VAL  53          3HG1      VAL  53 157.500   5.654  -9.175
  398   1HG2  VAL  53          1HG2      VAL  53 159.471   8.641  -7.725
  399   2HG2  VAL  53          2HG2      VAL  53 159.745   7.122  -8.578
  400   3HG2  VAL  53          3HG2      VAL  53 159.106   8.518  -9.446
  401    H    ASP  54           H        ASP  54 157.269   9.627  -5.644
  402    HA   ASP  54           HA       ASP  54 158.552  12.160  -6.531
  403   1HB   ASP  54          1HB       ASP  54 156.827  12.079  -4.713
  404   2HB   ASP  54          2HB       ASP  54 157.909  11.051  -3.774
  405    H    ALA  55           H        ALA  55 160.739  12.049  -6.896
  406    HA   ALA  55           HA       ALA  55 162.327   9.784  -6.056
  407   1HB   ALA  55          1HB       ALA  55 164.136  11.528  -6.991
  408   2HB   ALA  55          2HB       ALA  55 162.676  12.330  -7.571
  409   3HB   ALA  55          3HB       ALA  55 163.028  10.673  -8.064
  410    H    SER  56           H        SER  56 161.717  12.916  -4.590
  411    HA   SER  56           HA       SER  56 164.103  12.595  -2.836
  412   1HB   SER  56          1HB       SER  56 162.658  14.763  -3.969
  413   2HB   SER  56          2HB       SER  56 162.398  14.857  -2.230
  414    HG   SER  56           HG       SER  56 164.804  14.464  -2.178
  415    H    SER  57           H        SER  57 161.363  11.095  -2.876
  416    HA   SER  57           HA       SER  57 161.152  10.542  -0.086
  417   1HB   SER  57          1HB       SER  57 160.128  12.822  -0.154
  418   2HB   SER  57          2HB       SER  57 159.019  12.275  -1.408
  419    HG   SER  57           HG       SER  57 158.676  10.524   0.386
  420    H    GLY  58           H        GLY  58 160.757   8.368  -0.468
  421   1HA   GLY  58          1HA       GLY  58 159.911   7.202  -2.839
  422   2HA   GLY  58          2HA       GLY  58 159.671   6.455  -1.261
  423    H    GLN  59           H        GLN  59 158.165   8.502  -3.720
  424    HA   GLN  59           HA       GLN  59 155.579   8.089  -2.265
  425   1HB   GLN  59          1HB       GLN  59 156.580  10.423  -2.630
  426   2HB   GLN  59          2HB       GLN  59 156.184  10.208  -4.335
  427   1HG   GLN  59          1HG       GLN  59 153.872  10.134  -3.920
  428   2HG   GLN  59          2HG       GLN  59 154.098   9.748  -2.214
  429   2HE2  GLN  59          2HE2      GLN  59 152.444  11.926  -2.896
  430   1HE2  GLN  59          1HE2      GLN  59 153.214  13.376  -2.464
  431    H    VAL  60           H        VAL  60 154.525   6.356  -3.368
  432    HA   VAL  60           HA       VAL  60 154.819   6.277  -6.354
  433    HB   VAL  60           HB       VAL  60 153.687   4.005  -4.789
  434   1HG1  VAL  60          1HG1      VAL  60 155.105   4.506  -7.289
  435   2HG1  VAL  60          2HG1      VAL  60 155.801   3.161  -6.385
  436   3HG1  VAL  60          3HG1      VAL  60 154.095   3.138  -6.825
  437   1HG2  VAL  60          1HG2      VAL  60 156.424   5.151  -4.376
  438   2HG2  VAL  60          2HG2      VAL  60 155.359   4.351  -3.219
  439   3HG2  VAL  60          3HG2      VAL  60 156.246   3.397  -4.407
  440    H    THR  61           H        THR  61 152.970   6.619  -7.584
  441    HA   THR  61           HA       THR  61 150.335   6.464  -6.157
  442    HB   THR  61           HB       THR  61 149.677   8.441  -7.324
  443    HG1  THR  61           HG1      THR  61 150.861   9.250  -9.027
  444   1HG2  THR  61          1HG2      THR  61 152.064   8.386  -5.766
  445   2HG2  THR  61          2HG2      THR  61 152.290   9.573  -7.051
  446   3HG2  THR  61          3HG2      THR  61 150.918   9.713  -5.952
  447    H    LEU  62           H        LEU  62 149.490   4.512  -6.994
  448    HA   LEU  62           HA       LEU  62 149.573   4.220  -9.958
  449   1HB   LEU  62          1HB       LEU  62 150.724   2.472  -8.556
  450   2HB   LEU  62          2HB       LEU  62 149.418   1.811  -9.540
  451    HG   LEU  62           HG       LEU  62 148.036   2.459  -7.296
  452   1HD1  LEU  62          1HD1      LEU  62 149.180   0.074  -8.494
  453   2HD1  LEU  62          2HD1      LEU  62 149.083  -0.090  -6.740
  454   3HD1  LEU  62          3HD1      LEU  62 147.631   0.273  -7.674
  455   1HD2  LEU  62          1HD2      LEU  62 150.463   3.062  -6.389
  456   2HD2  LEU  62          2HD2      LEU  62 149.285   2.266  -5.345
  457   3HD2  LEU  62          3HD2      LEU  62 150.551   1.320  -6.128
  458    H    LYS  63           H        LYS  63 147.476   3.454 -10.913
  459    HA   LYS  63           HA       LYS  63 145.060   3.502  -9.167
  460   1HB   LYS  63          1HB       LYS  63 145.896   5.654 -11.119
  461   2HB   LYS  63          2HB       LYS  63 144.195   5.385 -10.741
  462   1HG   LYS  63          1HG       LYS  63 145.289   5.411  -8.236
  463   2HG   LYS  63          2HG       LYS  63 144.587   6.824  -9.025
  464   1HD   LYS  63          1HD       LYS  63 147.347   6.324  -8.294
  465   2HD   LYS  63          2HD       LYS  63 147.213   6.630 -10.026
  466   1HE   LYS  63          1HE       LYS  63 145.566   8.578  -9.094
  467   2HE   LYS  63          2HE       LYS  63 146.718   8.470  -7.748
  468   1HZ   LYS  63          1HZ       LYS  63 148.536   8.582  -9.338
  469   2HZ   LYS  63          2HZ       LYS  63 147.433   8.713 -10.624
  470   3HZ   LYS  63          3HZ       LYS  63 147.545   9.956  -9.475
  471    H    GLU  64           H        GLU  64 146.620   2.122 -11.763
  472    HA   GLU  64           HA       GLU  64 144.487   0.475 -12.501
  473   1HB   GLU  64          1HB       GLU  64 143.791   1.663 -14.677
  474   2HB   GLU  64          2HB       GLU  64 143.205   2.372 -13.175
  475   1HG   GLU  64          1HG       GLU  64 145.344   3.833 -13.265
  476   2HG   GLU  64          2HG       GLU  64 145.451   3.325 -14.950
  477    H    LYS  65           H        LYS  65 145.854  -1.146 -13.160
  478    HA   LYS  65           HA       LYS  65 147.003  -1.195 -15.736
  479   1HB   LYS  65          1HB       LYS  65 148.389   0.509 -14.094
  480   2HB   LYS  65          2HB       LYS  65 149.309  -0.984 -13.914
  481   1HG   LYS  65          1HG       LYS  65 148.748  -0.798 -16.661
  482   2HG   LYS  65          2HG       LYS  65 149.210   0.833 -16.173
  483   1HD   LYS  65          1HD       LYS  65 151.158  -0.600 -16.859
  484   2HD   LYS  65          2HD       LYS  65 151.284   0.022 -15.213
  485   1HE   LYS  65          1HE       LYS  65 151.374  -2.085 -14.392
  486   2HE   LYS  65          2HE       LYS  65 149.849  -2.494 -15.202
  487   1HZ   LYS  65          1HZ       LYS  65 151.282  -2.501 -17.315
  488   2HZ   LYS  65          2HZ       LYS  65 152.601  -2.655 -16.260
  489   3HZ   LYS  65          3HZ       LYS  65 151.385  -3.841 -16.275
  490    H    GLY  66           H        GLY  66 147.951  -2.215 -12.443
  491   1HA   GLY  66          1HA       GLY  66 147.141  -4.829 -12.433
  492   2HA   GLY  66          2HA       GLY  66 148.601  -4.911 -13.418
  493    H    THR  67           H        THR  67 150.614  -4.675 -12.417
  494    HA   THR  67           HA       THR  67 150.554  -4.735  -9.425
  495    HB   THR  67           HB       THR  67 153.032  -5.559 -10.127
  496    HG1  THR  67           HG1      THR  67 153.130  -5.878 -12.181
  497   1HG2  THR  67          1HG2      THR  67 150.470  -6.825  -9.578
  498   2HG2  THR  67          2HG2      THR  67 151.492  -7.842 -10.593
  499   3HG2  THR  67          3HG2      THR  67 152.082  -7.282  -9.028
  500    H    THR  68           H        THR  68 152.571  -3.646  -8.403
  501    HA   THR  68           HA       THR  68 153.246  -1.180  -9.975
  502    HB   THR  68           HB       THR  68 153.509  -0.675  -7.217
  503    HG1  THR  68           HG1      THR  68 151.015  -1.882  -7.797
  504   1HG2  THR  68          1HG2      THR  68 152.565   0.648  -9.296
  505   2HG2  THR  68          2HG2      THR  68 151.019   0.018  -8.730
  506   3HG2  THR  68          3HG2      THR  68 151.999   1.030  -7.670
  507    H    THR  69           H        THR  69 155.419  -0.787 -10.215
  508    HA   THR  69           HA       THR  69 157.299  -2.627  -8.797
  509    HB   THR  69           HB       THR  69 156.983  -2.042 -11.429
  510    HG1  THR  69           HG1      THR  69 158.423  -3.539 -11.267
  511   1HG2  THR  69          1HG2      THR  69 159.139  -0.175 -10.402
  512   2HG2  THR  69          2HG2      THR  69 158.856  -0.555 -12.101
  513   3HG2  THR  69          3HG2      THR  69 157.627   0.304 -11.173
  514    H    ILE  70           H        ILE  70 158.480  -1.794  -7.117
  515    HA   ILE  70           HA       ILE  70 159.205   1.120  -7.143
  516    HB   ILE  70           HB       ILE  70 157.297  -0.138  -5.463
  517   1HG1  ILE  70          1HG1      ILE  70 157.321   2.245  -5.947
  518   2HG1  ILE  70          2HG1      ILE  70 157.432   2.028  -4.205
  519   1HG2  ILE  70          1HG2      ILE  70 159.252  -1.141  -4.273
  520   2HG2  ILE  70          2HG2      ILE  70 159.849   0.482  -3.948
  521   3HG2  ILE  70          3HG2      ILE  70 158.318  -0.054  -3.252
  522   1HD1  ILE  70          1HD1      ILE  70 160.064   1.995  -5.362
  523   2HD1  ILE  70          2HD1      ILE  70 159.203   3.448  -5.867
  524   3HD1  ILE  70          3HD1      ILE  70 159.402   3.094  -4.151
  525    H    SER  71           H        SER  71 161.300   1.303  -7.104
  526    HA   SER  71           HA       SER  71 162.919  -0.681  -5.551
  527   1HB   SER  71          1HB       SER  71 163.322  -1.401  -7.730
  528   2HB   SER  71          2HB       SER  71 163.046   0.198  -8.415
  529    HG   SER  71           HG       SER  71 165.086   0.638  -8.148
  530    H    VAL  72           H        VAL  72 165.077   0.274  -4.949
  531    HA   VAL  72           HA       VAL  72 165.195   3.234  -5.136
  532    HB   VAL  72           HB       VAL  72 165.099   1.581  -2.598
  533   1HG1  VAL  72          1HG1      VAL  72 166.822   3.506  -2.692
  534   2HG1  VAL  72          2HG1      VAL  72 165.424   4.579  -2.753
  535   3HG1  VAL  72          3HG1      VAL  72 165.664   3.521  -1.363
  536   1HG2  VAL  72          1HG2      VAL  72 163.349   3.785  -3.732
  537   2HG2  VAL  72          2HG2      VAL  72 162.906   2.089  -3.540
  538   3HG2  VAL  72          3HG2      VAL  72 163.166   3.099  -2.118
  539    H    ILE  73           H        ILE  73 167.251   3.736  -5.682
  540    HA   ILE  73           HA       ILE  73 169.479   1.864  -4.939
  541    HB   ILE  73           HB       ILE  73 168.802   3.632  -7.261
  542   1HG1  ILE  73          1HG1      ILE  73 170.125   0.919  -6.943
  543   2HG1  ILE  73          2HG1      ILE  73 168.446   1.211  -7.400
  544   1HG2  ILE  73          1HG2      ILE  73 170.975   4.506  -6.442
  545   2HG2  ILE  73          2HG2      ILE  73 171.636   2.871  -6.485
  546   3HG2  ILE  73          3HG2      ILE  73 171.153   3.667  -7.983
  547   1HD1  ILE  73          1HD1      ILE  73 170.563   2.545  -9.027
  548   2HD1  ILE  73          2HD1      ILE  73 170.351   0.807  -9.237
  549   3HD1  ILE  73          3HD1      ILE  73 168.999   1.902  -9.528
  550    H    SER  74           H        SER  74 171.168   2.717  -3.703
  551    HA   SER  74           HA       SER  74 170.744   5.260  -2.361
  552   1HB   SER  74          1HB       SER  74 172.431   4.478  -1.000
  553   2HB   SER  74          2HB       SER  74 172.037   2.956  -1.790
  554    HG   SER  74           HG       SER  74 174.272   4.512  -1.973
  555    H    SER  75           H        SER  75 171.954   7.189  -2.665
  556    HA   SER  75           HA       SER  75 172.591   7.916  -5.262
  557   1HB   SER  75          1HB       SER  75 173.680   8.982  -2.652
  558   2HB   SER  75          2HB       SER  75 173.755   9.849  -4.176
  559    HG   SER  75           HG       SER  75 171.920  10.554  -3.238
  560    H    ASP  76           H        ASP  76 174.398   6.039  -3.030
  561    HA   ASP  76           HA       ASP  76 176.976   6.540  -4.343
  562   1HB   ASP  76          1HB       ASP  76 176.612   6.178  -1.842
  563   2HB   ASP  76          2HB       ASP  76 176.275   4.488  -2.221
  564    H    ASN  77           H        ASN  77 174.340   4.861  -5.194
  565    HA   ASN  77           HA       ASN  77 174.134   3.383  -7.064
  566   1HB   ASN  77          1HB       ASN  77 176.810   3.946  -7.081
  567   2HB   ASN  77          2HB       ASN  77 176.041   2.812  -8.188
  568   2HD2  ASN  77          2HD2      ASN  77 177.858   1.354  -8.322
  569   1HD2  ASN  77          1HD2      ASN  77 178.380   0.430  -6.997
  570    H    GLN  78           H        GLN  78 173.572   2.810  -4.229
  571    HA   GLN  78           HA       GLN  78 174.106  -0.110  -3.995
  572   1HB   GLN  78          1HB       GLN  78 173.696   1.911  -2.188
  573   2HB   GLN  78          2HB       GLN  78 172.068   1.243  -2.307
  574   1HG   GLN  78          1HG       GLN  78 173.719  -1.004  -2.169
  575   2HG   GLN  78          2HG       GLN  78 174.425   0.125  -1.012
  576   2HE2  GLN  78          2HE2      GLN  78 173.643  -0.968   0.895
  577   1HE2  GLN  78          1HE2      GLN  78 171.992  -1.055   1.277
  578    H    THR  79           H        THR  79 172.003  -1.541  -3.734
  579    HA   THR  79           HA       THR  79 169.939  -0.530  -5.672
  580    HB   THR  79           HB       THR  79 170.363  -3.413  -5.672
  581    HG1  THR  79           HG1      THR  79 172.466  -2.979  -5.197
  582   1HG2  THR  79          1HG2      THR  79 169.237  -1.910  -7.401
  583   2HG2  THR  79          2HG2      THR  79 170.858  -1.391  -7.864
  584   3HG2  THR  79          3HG2      THR  79 170.391  -3.083  -8.035
  585    H    ALA  80           H        ALA  80 167.864  -0.745  -5.025
  586    HA   ALA  80           HA       ALA  80 167.149  -2.731  -2.884
  587   1HB   ALA  80          1HB       ALA  80 166.005   0.057  -3.113
  588   2HB   ALA  80          2HB       ALA  80 167.434  -0.278  -2.134
  589   3HB   ALA  80          3HB       ALA  80 165.899  -1.058  -1.751
  590    H    THR  81           H        THR  81 165.045  -3.623  -3.170
  591    HA   THR  81           HA       THR  81 163.518  -2.693  -5.562
  592    HB   THR  81           HB       THR  81 163.480  -5.513  -5.596
  593    HG1  THR  81           HG1      THR  81 165.820  -5.788  -5.838
  594   1HG2  THR  81          1HG2      THR  81 163.836  -3.377  -7.331
  595   2HG2  THR  81          2HG2      THR  81 165.365  -4.251  -7.437
  596   3HG2  THR  81          3HG2      THR  81 163.849  -5.083  -7.780
  597    H    TYR  82           H        TYR  82 161.366  -2.716  -5.245
  598    HA   TYR  82           HA       TYR  82 160.062  -4.567  -3.314
  599   1HB   TYR  82          1HB       TYR  82 160.615  -1.706  -2.923
  600   2HB   TYR  82          2HB       TYR  82 158.897  -2.090  -2.810
  601    HD1  TYR  82           HD1      TYR  82 158.707  -4.673  -1.634
  602    HD2  TYR  82           HD2      TYR  82 161.561  -1.574  -0.795
  603    HE1  TYR  82           HE1      TYR  82 159.057  -5.610   0.636
  604    HE2  TYR  82           HE2      TYR  82 161.910  -2.510   1.475
  605    HH   TYR  82           HH       TYR  82 159.984  -4.332   3.026
  606    H    THR  83           H        THR  83 158.516  -5.454  -4.542
  607    HA   THR  83           HA       THR  83 157.066  -3.720  -6.541
  608    HB   THR  83           HB       THR  83 158.558  -5.294  -7.638
  609    HG1  THR  83           HG1      THR  83 156.981  -5.700  -8.933
  610   1HG2  THR  83          1HG2      THR  83 157.247  -7.358  -5.848
  611   2HG2  THR  83          2HG2      THR  83 158.343  -7.738  -7.176
  612   3HG2  THR  83          3HG2      THR  83 158.928  -6.828  -5.783
  613    H    ILE  84           H        ILE  84 154.911  -3.706  -6.462
  614    HA   ILE  84           HA       ILE  84 153.488  -4.974  -4.255
  615    HB   ILE  84           HB       ILE  84 153.059  -3.062  -6.487
  616   1HG1  ILE  84          1HG1      ILE  84 152.343  -3.220  -3.552
  617   2HG1  ILE  84          2HG1      ILE  84 153.555  -2.190  -4.309
  618   1HG2  ILE  84          1HG2      ILE  84 151.011  -5.012  -5.656
  619   2HG2  ILE  84          2HG2      ILE  84 150.484  -3.334  -5.554
  620   3HG2  ILE  84          3HG2      ILE  84 151.070  -3.983  -7.085
  621   1HD1  ILE  84          1HD1      ILE  84 150.614  -2.006  -5.000
  622   2HD1  ILE  84          2HD1      ILE  84 151.348  -1.050  -3.712
  623   3HD1  ILE  84          3HD1      ILE  84 151.890  -0.849  -5.377
  624    H    ALA  85           H        ALA  85 152.702  -7.068  -4.384
  625    HA   ALA  85           HA       ALA  85 151.856  -8.089  -7.061
  626   1HB   ALA  85          1HB       ALA  85 153.483  -9.648  -7.020
  627   2HB   ALA  85          2HB       ALA  85 154.176  -8.770  -5.657
  628   3HB   ALA  85          3HB       ALA  85 153.070 -10.113  -5.370
  629    H    THR  86           H        THR  86 152.025  -9.167  -3.663
  630    HA   THR  86           HA       THR  86 149.400 -10.493  -3.893
  631    HB   THR  86           HB       THR  86 150.291 -10.752  -1.295
  632    HG1  THR  86           HG1      THR  86 152.461 -10.766  -1.330
  633   1HG2  THR  86          1HG2      THR  86 149.631 -12.522  -2.954
  634   2HG2  THR  86          2HG2      THR  86 151.241 -12.388  -3.660
  635   3HG2  THR  86          3HG2      THR  86 151.052 -12.939  -1.996
  636    HA   PRO  87           HA       PRO  87 148.377  -7.460  -0.323
  637   1HB   PRO  87          1HB       PRO  87 150.149  -5.422   0.163
  638   2HB   PRO  87          2HB       PRO  87 150.229  -6.995   0.982
  639   1HG   PRO  87          1HG       PRO  87 152.337  -6.939   0.056
  640   2HG   PRO  87          2HG       PRO  87 151.803  -5.994  -1.344
  641   1HD   PRO  87          1HD       PRO  87 151.880  -8.059  -2.360
  642   2HD   PRO  87          2HD       PRO  87 151.597  -8.930  -0.836
  643    H    ASN  88           H        ASN  88 148.582  -4.577  -0.368
  644    HA   ASN  88           HA       ASN  88 148.023  -2.706  -1.702
  645   1HB   ASN  88          1HB       ASN  88 148.673  -2.766  -3.978
  646   2HB   ASN  88          2HB       ASN  88 148.382  -4.501  -4.105
  647   2HD2  ASN  88          2HD2      ASN  88 150.222  -2.578  -1.668
  648   1HD2  ASN  88          1HD2      ASN  88 151.675  -3.433  -1.867
  649    H    SER  89           H        SER  89 145.945  -3.482  -0.614
  650    HA   SER  89           HA       SER  89 143.905  -4.696  -2.417
  651   1HB   SER  89          1HB       SER  89 143.913  -5.349  -0.103
  652   2HB   SER  89          2HB       SER  89 144.004  -3.672   0.426
  653    HG   SER  89           HG       SER  89 141.851  -5.050   0.146
  654    H    LEU  90           H        LEU  90 142.034  -3.450  -3.132
  655    HA   LEU  90           HA       LEU  90 142.255  -0.495  -2.683
  656   1HB   LEU  90          1HB       LEU  90 142.463  -0.078  -4.939
  657   2HB   LEU  90          2HB       LEU  90 141.501  -1.484  -5.390
  658    HG   LEU  90           HG       LEU  90 143.436  -2.941  -4.699
  659   1HD1  LEU  90          1HD1      LEU  90 143.476  -0.983  -6.941
  660   2HD1  LEU  90          2HD1      LEU  90 144.969  -1.873  -6.638
  661   3HD1  LEU  90          3HD1      LEU  90 143.476  -2.746  -6.986
  662   1HD2  LEU  90          1HD2      LEU  90 144.358  -0.477  -3.624
  663   2HD2  LEU  90          2HD2      LEU  90 145.179  -2.038  -3.593
  664   3HD2  LEU  90          3HD2      LEU  90 145.467  -0.917  -4.923
  665    H    ILE  91           H        ILE  91 140.379   0.439  -2.206
  666    HA   ILE  91           HA       ILE  91 137.846  -1.095  -2.618
  667    HB   ILE  91           HB       ILE  91 138.201   1.362  -0.899
  668   1HG1  ILE  91          1HG1      ILE  91 138.756  -0.269   0.978
  669   2HG1  ILE  91          2HG1      ILE  91 140.047  -0.005  -0.195
  670   1HG2  ILE  91          1HG2      ILE  91 136.222  -0.754  -1.298
  671   2HG2  ILE  91          2HG2      ILE  91 136.653  -0.549   0.399
  672   3HG2  ILE  91          3HG2      ILE  91 136.038   0.821  -0.526
  673   1HD1  ILE  91          1HD1      ILE  91 138.404  -2.117  -1.181
  674   2HD1  ILE  91          2HD1      ILE  91 140.076  -2.213  -0.633
  675   3HD1  ILE  91          3HD1      ILE  91 138.757  -2.467   0.510
  676    H    VAL  92           H        VAL  92 136.312  -0.202  -4.054
  677    HA   VAL  92           HA       VAL  92 136.800   2.613  -4.970
  678    HB   VAL  92           HB       VAL  92 136.009   0.260  -6.697
  679   1HG1  VAL  92          1HG1      VAL  92 135.570   2.675  -7.421
  680   2HG1  VAL  92          2HG1      VAL  92 137.322   2.876  -7.473
  681   3HG1  VAL  92          3HG1      VAL  92 136.537   1.703  -8.531
  682   1HG2  VAL  92          1HG2      VAL  92 138.239  -0.118  -5.651
  683   2HG2  VAL  92          2HG2      VAL  92 138.360   0.136  -7.392
  684   3HG2  VAL  92          3HG2      VAL  92 138.777   1.439  -6.280
  685    HA   PRO  93           HA       PRO  93 132.426   2.480  -4.194
  686   1HB   PRO  93          1HB       PRO  93 132.077   5.203  -4.009
  687   2HB   PRO  93          2HB       PRO  93 132.714   4.211  -2.685
  688   1HG   PRO  93          1HG       PRO  93 134.552   5.518  -2.855
  689   2HG   PRO  93          2HG       PRO  93 134.117   6.069  -4.477
  690   1HD   PRO  93          1HD       PRO  93 135.623   4.617  -5.326
  691   2HD   PRO  93          2HD       PRO  93 135.948   3.966  -3.705
  692    H    ASN  94           H        ASN  94 130.830   2.489  -5.968
  693    HA   ASN  94           HA       ASN  94 131.553   4.173  -8.361
  694   1HB   ASN  94          1HB       ASN  94 129.972   1.606  -8.199
  695   2HB   ASN  94          2HB       ASN  94 130.484   2.453  -9.661
  696   2HD2  ASN  94          2HD2      ASN  94 132.122   1.174 -10.567
  697   1HD2  ASN  94          1HD2      ASN  94 133.448   0.551  -9.709
  698    H    MET  95           H        MET  95 130.287   5.981  -8.022
  699    HA   MET  95           HA       MET  95 127.556   5.871  -8.730
  700   1HB   MET  95          1HB       MET  95 127.473   4.686  -6.524
  701   2HB   MET  95          2HB       MET  95 126.481   6.135  -6.556
  702   1HG   MET  95          1HG       MET  95 128.705   5.509  -4.836
  703   2HG   MET  95          2HG       MET  95 129.095   6.937  -5.787
  704   1HE   MET  95          1HE       MET  95 126.439   7.834  -6.533
  705   2HE   MET  95          2HE       MET  95 125.137   7.274  -5.491
  706   3HE   MET  95          3HE       MET  95 125.741   8.919  -5.326
  707    H    SER  96           H        SER  96 128.844   7.678  -9.828
  708    HA   SER  96           HA       SER  96 129.466  10.015  -8.218
  709   1HB   SER  96          1HB       SER  96 128.775   9.790 -11.188
  710   2HB   SER  96          2HB       SER  96 129.595  11.156 -10.438
  711    HG   SER  96           HG       SER  96 130.842   9.304 -11.508
  712    H    LYS  97           H        LYS  97 126.606   8.635  -9.584
  713    HA   LYS  97           HA       LYS  97 125.053  10.906  -8.425
  714   1HB   LYS  97          1HB       LYS  97 125.200  10.105 -11.096
  715   2HB   LYS  97          2HB       LYS  97 123.706   9.356 -10.531
  716   1HG   LYS  97          1HG       LYS  97 122.720  11.409  -9.999
  717   2HG   LYS  97          2HG       LYS  97 124.274  12.234  -9.876
  718   1HD   LYS  97          1HD       LYS  97 124.153  12.847 -12.036
  719   2HD   LYS  97          2HD       LYS  97 123.997  11.160 -12.526
  720   1HE   LYS  97          1HE       LYS  97 121.494  11.912 -11.400
  721   2HE   LYS  97          2HE       LYS  97 121.967  13.194 -12.533
  722   1HZ   LYS  97          1HZ       LYS  97 122.621  11.350 -14.089
  723   2HZ   LYS  97          2HZ       LYS  97 121.809  10.279 -13.055
  724   3HZ   LYS  97          3HZ       LYS  97 120.951  11.522 -13.833
  725    H    ARG  98           H        ARG  98 122.854  10.063  -7.523
  726    HA   ARG  98           HA       ARG  98 123.064   7.873  -5.828
  727   1HB   ARG  98          1HB       ARG  98 120.625   8.835  -7.371
  728   2HB   ARG  98          2HB       ARG  98 120.565   7.861  -5.901
  729   1HG   ARG  98          1HG       ARG  98 121.150   9.616  -4.548
  730   2HG   ARG  98          2HG       ARG  98 122.196  10.343  -5.769
  731   1HD   ARG  98          1HD       ARG  98 119.692  10.568  -6.929
  732   2HD   ARG  98          2HD       ARG  98 120.498  11.857  -6.014
  733    HE   ARG  98           HE       ARG  98 119.384  10.491  -3.986
  734   1HH1  ARG  98          1HH1      ARG  98 118.174  11.720  -6.953
  735   2HH1  ARG  98          2HH1      ARG  98 116.509  11.548  -6.508
  736   1HH2  ARG  98          1HH2      ARG  98 117.205  10.055  -3.456
  737   2HH2  ARG  98          2HH2      ARG  98 115.960  10.604  -4.528
  738    H    VAL  99           H        VAL  99 122.712   5.558  -6.058
  739    HA   VAL  99           HA       VAL  99 122.088   4.621  -8.841
  740    HB   VAL  99           HB       VAL  99 124.075   2.935  -7.906
  741   1HG1  VAL  99          1HG1      VAL  99 123.618   4.228 -10.172
  742   2HG1  VAL  99          2HG1      VAL  99 124.788   5.371  -9.512
  743   3HG1  VAL  99          3HG1      VAL  99 125.250   3.689  -9.776
  744   1HG2  VAL  99          1HG2      VAL  99 124.342   4.720  -6.088
  745   2HG2  VAL  99          2HG2      VAL  99 125.801   4.263  -6.970
  746   3HG2  VAL  99          3HG2      VAL  99 124.967   5.766  -7.366
  747    H    THR 100           H        THR 100 121.716   2.354  -9.015
  748    HA   THR 100           HA       THR 100 120.135   1.205  -6.747
  749    HB   THR 100           HB       THR 100 118.858   1.273  -8.662
  750    HG1  THR 100           HG1      THR 100 118.736  -0.815  -8.200
  751   1HG2  THR 100          1HG2      THR 100 121.467   0.893 -10.092
  752   2HG2  THR 100          2HG2      THR 100 119.955   0.519 -10.919
  753   3HG2  THR 100          3HG2      THR 100 120.252   2.150 -10.318
  754    H    TYR 101           H        TYR 101 120.261  -1.112  -6.468
  755    HA   TYR 101           HA       TYR 101 122.823  -2.167  -5.886
  756   1HB   TYR 101          1HB       TYR 101 121.108  -3.181  -4.762
  757   2HB   TYR 101          2HB       TYR 101 120.022  -3.119  -6.150
  758    HD1  TYR 101           HD1      TYR 101 123.132  -4.800  -4.913
  759    HD2  TYR 101           HD2      TYR 101 119.692  -5.032  -7.476
  760    HE1  TYR 101           HE1      TYR 101 123.695  -7.153  -5.457
  761    HE2  TYR 101           HE2      TYR 101 120.256  -7.385  -8.019
  762    HH   TYR 101           HH       TYR 101 121.971  -8.926  -7.946
  763    H    ASN 102           H        ASN 102 120.645  -2.992  -8.583
  764    HA   ASN 102           HA       ASN 102 122.438  -4.837  -9.847
  765   1HB   ASN 102          1HB       ASN 102 119.863  -3.470 -10.417
  766   2HB   ASN 102          2HB       ASN 102 120.702  -4.200 -11.786
  767   2HD2  ASN 102          2HD2      ASN 102 118.244  -4.989  -9.911
  768   1HD2  ASN 102          1HD2      ASN 102 118.534  -6.637  -9.628
  769    H    ASP 103           H        ASP 103 121.692  -1.426 -10.653
  770    HA   ASP 103           HA       ASP 103 123.267  -1.363 -13.026
  771   1HB   ASP 103          1HB       ASP 103 121.525   0.279 -11.962
  772   2HB   ASP 103          2HB       ASP 103 122.939   0.997 -11.189
  773    H    ALA 104           H        ALA 104 123.998  -0.438  -9.680
  774    HA   ALA 104           HA       ALA 104 126.762   0.296 -10.088
  775   1HB   ALA 104          1HB       ALA 104 126.499   0.925  -7.924
  776   2HB   ALA 104          2HB       ALA 104 125.915  -0.670  -7.447
  777   3HB   ALA 104          3HB       ALA 104 124.804   0.501  -8.154
  778    H    VAL 105           H        VAL 105 125.139  -2.720  -9.053
  779    HA   VAL 105           HA       VAL 105 127.474  -4.157  -8.291
  780    HB   VAL 105           HB       VAL 105 124.736  -4.835  -9.344
  781   1HG1  VAL 105          1HG1      VAL 105 127.002  -6.772  -8.809
  782   2HG1  VAL 105          2HG1      VAL 105 125.307  -7.257  -8.837
  783   3HG1  VAL 105          3HG1      VAL 105 126.062  -6.605 -10.291
  784   1HG2  VAL 105          1HG2      VAL 105 125.553  -4.147  -6.886
  785   2HG2  VAL 105          2HG2      VAL 105 124.265  -5.325  -7.135
  786   3HG2  VAL 105          3HG2      VAL 105 125.907  -5.873  -6.798
  787    H    ASN 106           H        ASN 106 125.884  -3.879 -11.487
  788    HA   ASN 106           HA       ASN 106 127.474  -5.641 -12.954
  789   1HB   ASN 106          1HB       ASN 106 125.530  -4.542 -13.850
  790   2HB   ASN 106          2HB       ASN 106 126.259  -2.951 -13.626
  791   2HD2  ASN 106          2HD2      ASN 106 126.933  -2.128 -15.605
  792   1HD2  ASN 106          1HD2      ASN 106 127.630  -3.038 -16.857
  793    H    THR 107           H        THR 107 127.941  -2.229 -12.224
  794    HA   THR 107           HA       THR 107 130.528  -1.845 -13.523
  795    HB   THR 107           HB       THR 107 129.241  -0.259 -11.305
  796    HG1  THR 107           HG1      THR 107 128.687  -0.162 -14.085
  797   1HG2  THR 107          1HG2      THR 107 131.560   0.291 -12.229
  798   2HG2  THR 107          2HG2      THR 107 130.753   0.684 -13.747
  799   3HG2  THR 107          3HG2      THR 107 130.374   1.595 -12.285
  800    H    CYS 108           H        CYS 108 129.575  -2.106 -10.073
  801    HA   CYS 108           HA       CYS 108 132.214  -1.864  -9.044
  802   1HB   CYS 108          1HB       CYS 108 129.961  -1.697  -7.872
  803   2HB   CYS 108          2HB       CYS 108 129.940  -3.461  -7.855
  804    H    LYS 109           H        LYS 109 130.301  -4.826  -9.486
  805    HA   LYS 109           HA       LYS 109 132.528  -6.559  -8.864
  806   1HB   LYS 109          1HB       LYS 109 129.972  -7.026  -8.847
  807   2HB   LYS 109          2HB       LYS 109 130.146  -7.309 -10.579
  808   1HG   LYS 109          1HG       LYS 109 132.220  -8.707  -9.127
  809   2HG   LYS 109          2HG       LYS 109 130.631  -9.154  -8.504
  810   1HD   LYS 109          1HD       LYS 109 130.360  -9.067 -11.312
  811   2HD   LYS 109          2HD       LYS 109 131.875  -9.915 -10.998
  812   1HE   LYS 109          1HE       LYS 109 129.615 -10.695  -9.239
  813   2HE   LYS 109          2HE       LYS 109 129.455 -11.158 -10.946
  814   1HZ   LYS 109          1HZ       LYS 109 132.072 -11.490  -9.686
  815   2HZ   LYS 109          2HZ       LYS 109 130.863 -12.599  -9.256
  816   3HZ   LYS 109          3HZ       LYS 109 131.319 -12.432 -10.884
  817    H    ASN 110           H        ASN 110 131.510  -4.992 -11.814
  818    HA   ASN 110           HA       ASN 110 132.833  -6.590 -13.727
  819   1HB   ASN 110          1HB       ASN 110 131.429  -4.844 -14.498
  820   2HB   ASN 110          2HB       ASN 110 132.185  -3.652 -13.439
  821   2HD2  ASN 110          2HD2      ASN 110 133.822  -6.001 -15.606
  822   1HD2  ASN 110          1HD2      ASN 110 134.585  -4.823 -16.560
  823    H    PHE 111           H        PHE 111 133.920  -4.605 -11.184
  824    HA   PHE 111           HA       PHE 111 136.594  -3.968 -12.118
  825   1HB   PHE 111          1HB       PHE 111 134.849  -3.073 -10.232
  826   2HB   PHE 111          2HB       PHE 111 135.951  -4.034  -9.245
  827    HD1  PHE 111           HD1      PHE 111 135.702  -1.180 -11.591
  828    HD2  PHE 111           HD2      PHE 111 138.247  -3.375  -8.916
  829    HE1  PHE 111           HE1      PHE 111 137.388   0.635 -11.705
  830    HE2  PHE 111           HE2      PHE 111 139.933  -1.560  -9.031
  831    HZ   PHE 111           HZ       PHE 111 139.504   0.445 -10.425
  832    H    GLY 112           H        GLY 112 135.162  -6.846 -11.015
  833   1HA   GLY 112          1HA       GLY 112 136.263  -8.930 -10.696
  834   2HA   GLY 112          2HA       GLY 112 137.807  -8.080 -10.671
  835    H    GLY 113           H        GLY 113 135.508  -6.616  -8.640
  836   1HA   GLY 113          1HA       GLY 113 136.766  -7.947  -6.270
  837   2HA   GLY 113          2HA       GLY 113 136.194  -6.276  -6.273
  838    H    LYS 114           H        LYS 114 135.027  -7.425  -4.274
  839    HA   LYS 114           HA       LYS 114 132.396  -8.272  -5.377
  840   1HB   LYS 114          1HB       LYS 114 134.182  -9.586  -3.384
  841   2HB   LYS 114          2HB       LYS 114 132.451  -9.679  -3.054
  842   1HG   LYS 114          1HG       LYS 114 132.054 -10.620  -5.286
  843   2HG   LYS 114          2HG       LYS 114 133.773 -10.488  -5.661
  844   1HD   LYS 114          1HD       LYS 114 133.700 -11.863  -3.227
  845   2HD   LYS 114          2HD       LYS 114 134.009 -12.566  -4.815
  846   1HE   LYS 114          1HE       LYS 114 131.186 -12.130  -3.809
  847   2HE   LYS 114          2HE       LYS 114 132.087 -13.619  -3.456
  848   1HZ   LYS 114          1HZ       LYS 114 131.925 -12.492  -6.193
  849   2HZ   LYS 114          2HZ       LYS 114 132.338 -14.070  -5.728
  850   3HZ   LYS 114          3HZ       LYS 114 130.727 -13.544  -5.605
  851    H    LEU 115           H        LEU 115 130.596  -8.055  -3.581
  852    HA   LEU 115           HA       LEU 115 130.828  -5.351  -2.458
  853   1HB   LEU 115          1HB       LEU 115 128.783  -7.322  -3.197
  854   2HB   LEU 115          2HB       LEU 115 128.395  -6.452  -1.712
  855    HG   LEU 115           HG       LEU 115 128.714  -4.308  -2.847
  856   1HD1  LEU 115          1HD1      LEU 115 129.860  -6.090  -4.916
  857   2HD1  LEU 115          2HD1      LEU 115 128.858  -4.773  -5.529
  858   3HD1  LEU 115          3HD1      LEU 115 130.261  -4.419  -4.521
  859   1HD2  LEU 115          1HD2      LEU 115 126.553  -5.818  -3.079
  860   2HD2  LEU 115          2HD2      LEU 115 126.698  -4.330  -4.016
  861   3HD2  LEU 115          3HD2      LEU 115 127.038  -5.886  -4.774
  862    HA   PRO 116           HA       PRO 116 131.732  -6.420   1.684
  863   1HB   PRO 116          1HB       PRO 116 130.158  -4.639   3.050
  864   2HB   PRO 116          2HB       PRO 116 131.637  -4.169   2.185
  865   1HG   PRO 116          1HG       PRO 116 130.118  -2.793   1.129
  866   2HG   PRO 116          2HG       PRO 116 128.790  -3.950   1.318
  867   1HD   PRO 116          1HD       PRO 116 129.287  -4.377  -0.889
  868   2HD   PRO 116          2HD       PRO 116 130.984  -3.878  -0.705
  869    H    SER 117           H        SER 117 130.886  -7.570   3.502
  870    HA   SER 117           HA       SER 117 128.624  -9.258   2.984
  871   1HB   SER 117          1HB       SER 117 130.123 -10.297   4.352
  872   2HB   SER 117          2HB       SER 117 130.666  -8.782   5.068
  873    HG   SER 117           HG       SER 117 128.286 -10.226   5.637
  874    H    SER 118           H        SER 118 128.949  -6.235   4.828
  875    HA   SER 118           HA       SER 118 126.012  -6.102   5.056
  876   1HB   SER 118          1HB       SER 118 127.384  -5.881   7.671
  877   2HB   SER 118          2HB       SER 118 125.838  -6.626   7.272
  878    HG   SER 118           HG       SER 118 128.162  -7.809   7.662
  879    H    GLN 119           H        GLN 119 125.427  -4.112   6.497
  880    HA   GLN 119           HA       GLN 119 126.367  -1.733   5.343
  881   1HB   GLN 119          1HB       GLN 119 125.086  -0.689   7.108
  882   2HB   GLN 119          2HB       GLN 119 124.286  -2.206   6.712
  883   1HG   GLN 119          1HG       GLN 119 125.549  -3.287   8.598
  884   2HG   GLN 119          2HG       GLN 119 126.139  -1.687   9.049
  885   2HE2  GLN 119          2HE2      GLN 119 122.937  -3.134   8.176
  886   1HE2  GLN 119          1HE2      GLN 119 122.092  -2.375   9.438
  887    H    ASN 120           H        ASN 120 127.388  -3.183   8.476
  888    HA   ASN 120           HA       ASN 120 129.281  -1.187   9.260
  889   1HB   ASN 120          1HB       ASN 120 128.538  -3.980   9.860
  890   2HB   ASN 120          2HB       ASN 120 130.226  -3.588  10.193
  891   2HD2  ASN 120          2HD2      ASN 120 126.902  -2.347  10.826
  892   1HD2  ASN 120          1HD2      ASN 120 127.287  -1.660  12.330
  893    H    GLU 121           H        GLU 121 129.692  -3.926   7.031
  894    HA   GLU 121           HA       GLU 121 132.487  -3.936   6.915
  895   1HB   GLU 121          1HB       GLU 121 130.222  -4.736   5.302
  896   2HB   GLU 121          2HB       GLU 121 131.553  -4.203   4.274
  897   1HG   GLU 121          1HG       GLU 121 131.830  -6.575   4.709
  898   2HG   GLU 121          2HG       GLU 121 131.674  -6.314   6.446
  899    H    LEU 122           H        LEU 122 130.228  -1.897   5.069
  900    HA   LEU 122           HA       LEU 122 132.278  -0.339   3.742
  901   1HB   LEU 122          1HB       LEU 122 129.328   0.122   4.260
  902   2HB   LEU 122          2HB       LEU 122 130.303   1.064   3.130
  903    HG   LEU 122           HG       LEU 122 130.931  -1.365   2.226
  904   1HD1  LEU 122          1HD1      LEU 122 128.547  -1.726   3.937
  905   2HD1  LEU 122          2HD1      LEU 122 128.430  -2.441   2.329
  906   3HD1  LEU 122          3HD1      LEU 122 129.746  -2.906   3.406
  907   1HD2  LEU 122          1HD2      LEU 122 129.844   0.502   0.966
  908   2HD2  LEU 122          2HD2      LEU 122 129.204  -1.082   0.527
  909   3HD2  LEU 122          3HD2      LEU 122 128.283  -0.024   1.597
  910    H    GLU 123           H        GLU 123 130.057   0.433   6.425
  911    HA   GLU 123           HA       GLU 123 131.098   3.025   6.989
  912   1HB   GLU 123          1HB       GLU 123 128.990   1.762   7.837
  913   2HB   GLU 123          2HB       GLU 123 130.062   1.098   9.070
  914   1HG   GLU 123          1HG       GLU 123 130.325   4.006   8.726
  915   2HG   GLU 123          2HG       GLU 123 128.726   3.501   9.275
  916    H    ASN 124           H        ASN 124 132.021  -0.138   8.331
  917    HA   ASN 124           HA       ASN 124 134.155   0.940   9.996
  918   1HB   ASN 124          1HB       ASN 124 133.538  -1.812   8.859
  919   2HB   ASN 124          2HB       ASN 124 134.785  -1.500  10.067
  920   2HD2  ASN 124          2HD2      ASN 124 134.048  -1.953  12.139
  921   1HD2  ASN 124          1HD2      ASN 124 132.458  -1.724  12.685
  922    H    VAL 125           H        VAL 125 133.952  -0.334   6.701
  923    HA   VAL 125           HA       VAL 125 136.781  -0.369   6.200
  924    HB   VAL 125           HB       VAL 125 134.229  -0.337   4.629
  925   1HG1  VAL 125          1HG1      VAL 125 135.778   1.167   3.390
  926   2HG1  VAL 125          2HG1      VAL 125 136.988  -0.116   3.386
  927   3HG1  VAL 125          3HG1      VAL 125 135.468  -0.333   2.517
  928   1HG2  VAL 125          1HG2      VAL 125 135.205  -2.421   5.613
  929   2HG2  VAL 125          2HG2      VAL 125 135.093  -2.487   3.854
  930   3HG2  VAL 125          3HG2      VAL 125 136.646  -2.173   4.628
  931    H    PHE 126           H        PHE 126 134.214   2.036   5.514
  932    HA   PHE 126           HA       PHE 126 136.002   4.081   4.469
  933   1HB   PHE 126          1HB       PHE 126 133.187   3.595   4.897
  934   2HB   PHE 126          2HB       PHE 126 133.606   5.183   5.540
  935    HD1  PHE 126           HD1      PHE 126 133.670   3.042   2.513
  936    HD2  PHE 126           HD2      PHE 126 134.261   6.990   4.097
  937    HE1  PHE 126           HE1      PHE 126 133.765   3.952   0.208
  938    HE2  PHE 126           HE2      PHE 126 134.357   7.901   1.792
  939    HZ   PHE 126           HZ       PHE 126 134.109   6.381  -0.153
  940    H    LYS 127           H        LYS 127 134.476   3.596   7.690
  941    HA   LYS 127           HA       LYS 127 135.589   5.936   8.893
  942   1HB   LYS 127          1HB       LYS 127 133.847   4.278   9.813
  943   2HB   LYS 127          2HB       LYS 127 135.204   3.224  10.210
  944   1HG   LYS 127          1HG       LYS 127 136.166   5.375  11.379
  945   2HG   LYS 127          2HG       LYS 127 134.480   5.895  11.377
  946   1HD   LYS 127          1HD       LYS 127 133.992   3.534  12.363
  947   2HD   LYS 127          2HD       LYS 127 134.674   4.764  13.428
  948   1HE   LYS 127          1HE       LYS 127 136.625   3.093  11.907
  949   2HE   LYS 127          2HE       LYS 127 136.700   3.674  13.583
  950   1HZ   LYS 127          1HZ       LYS 127 134.783   2.149  14.038
  951   2HZ   LYS 127          2HZ       LYS 127 135.040   1.463  12.505
  952   3HZ   LYS 127          3HZ       LYS 127 136.247   1.366  13.696
  953    H    ALA 128           H        ALA 128 137.059   2.825   8.140
  954    HA   ALA 128           HA       ALA 128 139.515   3.330   9.645
  955   1HB   ALA 128          1HB       ALA 128 138.630   1.507   7.391
  956   2HB   ALA 128          2HB       ALA 128 140.286   1.501   7.995
  957   3HB   ALA 128          3HB       ALA 128 138.955   1.071   9.068
  958    H    TRP 129           H        TRP 129 138.225   4.289   6.521
  959    HA   TRP 129           HA       TRP 129 140.836   5.122   5.455
  960   1HB   TRP 129          1HB       TRP 129 138.025   5.838   4.565
  961   2HB   TRP 129          2HB       TRP 129 139.489   5.891   3.586
  962    HD1  TRP 129           HD1      TRP 129 137.172   4.151   2.549
  963    HE1  TRP 129           HE1      TRP 129 137.386   1.588   2.397
  964    HE3  TRP 129           HE3      TRP 129 140.945   3.374   5.908
  965    HZ2  TRP 129           HZ2      TRP 129 138.943  -0.513   3.550
  966    HZ3  TRP 129           HZ3      TRP 129 141.767   1.084   6.363
  967    HH2  TRP 129           HH2      TRP 129 140.774  -0.859   5.189
  968    H    GLY 130           H        GLY 130 138.199   6.540   7.285
  969   1HA   GLY 130          1HA       GLY 130 138.376   8.527   8.602
  970   2HA   GLY 130          2HA       GLY 130 139.830   8.962   7.707
  971    H    ALA 131           H        ALA 131 137.308   8.035   5.597
  972    HA   ALA 131           HA       ALA 131 136.866  10.900   4.897
  973   1HB   ALA 131          1HB       ALA 131 136.907   8.277   3.547
  974   2HB   ALA 131          2HB       ALA 131 137.270   9.874   2.895
  975   3HB   ALA 131          3HB       ALA 131 135.596   9.331   3.015
  976    H    ALA 132           H        ALA 132 135.123   7.914   5.632
  977    HA   ALA 132           HA       ALA 132 132.439   8.717   5.442
  978   1HB   ALA 132          1HB       ALA 132 132.318   6.599   6.185
  979   2HB   ALA 132          2HB       ALA 132 132.843   7.132   7.782
  980   3HB   ALA 132          3HB       ALA 132 134.037   6.647   6.579
  981    H    ASN 133           H        ASN 133 134.850   9.735   7.706
  982    HA   ASN 133           HA       ASN 133 132.857  11.468   9.071
  983   1HB   ASN 133          1HB       ASN 133 133.855  10.611  11.279
  984   2HB   ASN 133          2HB       ASN 133 132.794   9.499  10.414
  985   2HD2  ASN 133          2HD2      ASN 133 136.288  10.313  10.755
  986   1HD2  ASN 133          1HD2      ASN 133 136.835   8.729  10.481
  987    H    LYS 134           H        LYS 134 134.603  12.624   7.455
  988    HA   LYS 134           HA       LYS 134 136.927  13.378   9.148
  989   1HB   LYS 134          1HB       LYS 134 136.788  12.650   6.487
  990   2HB   LYS 134          2HB       LYS 134 136.836  14.409   6.382
  991   1HG   LYS 134          1HG       LYS 134 139.104  13.239   6.381
  992   2HG   LYS 134          2HG       LYS 134 138.902  14.532   7.563
  993   1HD   LYS 134          1HD       LYS 134 138.011  11.968   8.621
  994   2HD   LYS 134          2HD       LYS 134 139.697  11.908   8.106
  995   1HE   LYS 134          1HE       LYS 134 138.723  14.245   9.743
  996   2HE   LYS 134          2HE       LYS 134 139.176  12.725  10.539
  997   1HZ   LYS 134          1HZ       LYS 134 141.251  12.785   9.180
  998   2HZ   LYS 134          2HZ       LYS 134 140.842  14.366   8.711
  999   3HZ   LYS 134          3HZ       LYS 134 141.145  14.019  10.343
 1000    H    TYR 135           H        TYR 135 133.904  14.365   8.728
 1001    HA   TYR 135           HA       TYR 135 132.776  16.382   9.215
 1002   1HB   TYR 135          1HB       TYR 135 134.689  16.420  10.895
 1003   2HB   TYR 135          2HB       TYR 135 135.561  17.445   9.757
 1004    HD1  TYR 135           HD1      TYR 135 134.541  19.650   9.046
 1005    HD2  TYR 135           HD2      TYR 135 132.959  17.297  12.273
 1006    HE1  TYR 135           HE1      TYR 135 133.302  21.629   9.882
 1007    HE2  TYR 135           HE2      TYR 135 131.720  19.276  13.109
 1008    HH   TYR 135           HH       TYR 135 131.620  21.577  12.961
 1009    H    GLU 136           H        GLU 136 135.736  17.968   8.166
 1010    HA   GLU 136           HA       GLU 136 134.455  19.631   6.243
 1011   1HB   GLU 136          1HB       GLU 136 136.662  20.033   7.336
 1012   2HB   GLU 136          2HB       GLU 136 137.341  18.686   6.421
 1013   1HG   GLU 136          1HG       GLU 136 136.511  19.939   4.321
 1014   2HG   GLU 136          2HG       GLU 136 136.339  21.337   5.383
 1015    H    TYR 137           H        TYR 137 135.997  16.445   5.938
 1016    HA   TYR 137           HA       TYR 137 136.143  16.280   3.131
 1017   1HB   TYR 137          1HB       TYR 137 137.040  14.577   4.610
 1018   2HB   TYR 137          2HB       TYR 137 135.430  14.213   5.236
 1019    HD1  TYR 137           HD1      TYR 137 133.649  13.408   3.539
 1020    HD2  TYR 137           HD2      TYR 137 137.868  13.434   2.729
 1021    HE1  TYR 137           HE1      TYR 137 133.308  11.771   1.708
 1022    HE2  TYR 137           HE2      TYR 137 137.526  11.797   0.898
 1023    HH   TYR 137           HH       TYR 137 135.613  11.122  -0.629
 1024    H    TYR 138           H        TYR 138 133.391  16.374   5.230
 1025    HA   TYR 138           HA       TYR 138 131.474  15.025   3.651
 1026   1HB   TYR 138          1HB       TYR 138 131.076  17.584   5.268
 1027   2HB   TYR 138          2HB       TYR 138 129.803  16.451   4.831
 1028    HD1  TYR 138           HD1      TYR 138 132.459  14.358   5.363
 1029    HD2  TYR 138           HD2      TYR 138 129.862  16.971   7.569
 1030    HE1  TYR 138           HE1      TYR 138 132.900  13.061   7.427
 1031    HE2  TYR 138           HE2      TYR 138 130.305  15.674   9.634
 1032    HH   TYR 138           HH       TYR 138 132.062  14.181  10.521
 1033    H    LYS 139           H        LYS 139 132.938  18.191   3.344
 1034    HA   LYS 139           HA       LYS 139 131.242  19.507   1.549
 1035   1HB   LYS 139          1HB       LYS 139 133.479  20.220   2.601
 1036   2HB   LYS 139          2HB       LYS 139 134.258  19.371   1.265
 1037   1HG   LYS 139          1HG       LYS 139 132.165  21.048   0.224
 1038   2HG   LYS 139          2HG       LYS 139 133.220  22.010   1.259
 1039   1HD   LYS 139          1HD       LYS 139 134.714  20.170  -0.455
 1040   2HD   LYS 139          2HD       LYS 139 133.741  21.315  -1.379
 1041   1HE   LYS 139          1HE       LYS 139 134.720  23.170   0.039
 1042   2HE   LYS 139          2HE       LYS 139 135.834  21.968   0.721
 1043   1HZ   LYS 139          1HZ       LYS 139 136.384  21.354  -1.624
 1044   2HZ   LYS 139          2HZ       LYS 139 135.522  22.727  -2.132
 1045   3HZ   LYS 139          3HZ       LYS 139 136.907  22.899  -1.163
 1046    H    SER 140           H        SER 140 133.063  16.588   0.985
 1047    HA   SER 140           HA       SER 140 132.925  16.791  -1.953
 1048   1HB   SER 140          1HB       SER 140 133.699  14.668   0.068
 1049   2HB   SER 140          2HB       SER 140 133.698  14.351  -1.664
 1050    HG   SER 140           HG       SER 140 135.742  15.066  -0.888
 1051    H    SER 141           H        SER 141 131.027  15.795   0.687
 1052    HA   SER 141           HA       SER 141 128.652  15.275  -0.861
 1053   1HB   SER 141          1HB       SER 141 130.414  13.003   0.036
 1054   2HB   SER 141          2HB       SER 141 128.672  12.767  -0.069
 1055    HG   SER 141           HG       SER 141 129.089  12.434  -2.105
 1056    H    GLN 142           H        GLN 142 128.343  16.922   0.979
 1057    HA   GLN 142           HA       GLN 142 128.424  16.802   3.643
 1058   1HB   GLN 142          1HB       GLN 142 127.000  18.297   2.163
 1059   2HB   GLN 142          2HB       GLN 142 125.763  17.040   2.209
 1060   1HG   GLN 142          1HG       GLN 142 126.318  17.276   4.861
 1061   2HG   GLN 142          2HG       GLN 142 126.610  18.931   4.324
 1062   2HE2  GLN 142          2HE2      GLN 142 124.135  16.567   4.967
 1063   1HE2  GLN 142          1HE2      GLN 142 122.812  17.527   4.509
 1064    H    THR 143           H        THR 143 126.257  14.702   1.755
 1065    HA   THR 143           HA       THR 143 126.055  12.908   4.149
 1066    HB   THR 143           HB       THR 143 123.998  13.866   2.145
 1067    HG1  THR 143           HG1      THR 143 123.100  14.727   3.878
 1068   1HG2  THR 143          1HG2      THR 143 124.018  11.380   3.834
 1069   2HG2  THR 143          2HG2      THR 143 122.495  12.199   3.485
 1070   3HG2  THR 143          3HG2      THR 143 123.489  11.584   2.165
 1071    H    ILE 144           H        ILE 144 126.997  10.933   3.643
 1072    HA   ILE 144           HA       ILE 144 126.859  10.086   0.769
 1073    HB   ILE 144           HB       ILE 144 128.929   8.838   2.483
 1074   1HG1  ILE 144          1HG1      ILE 144 129.076  11.828   1.949
 1075   2HG1  ILE 144          2HG1      ILE 144 128.857  11.088   3.533
 1076   1HG2  ILE 144          1HG2      ILE 144 129.060  10.403  -0.112
 1077   2HG2  ILE 144          2HG2      ILE 144 130.378   9.452   0.576
 1078   3HG2  ILE 144          3HG2      ILE 144 128.903   8.652   0.030
 1079   1HD1  ILE 144          1HD1      ILE 144 131.129   9.863   2.285
 1080   2HD1  ILE 144          2HD1      ILE 144 131.310  11.615   2.163
 1081   3HD1  ILE 144          3HD1      ILE 144 131.093  10.856   3.743
 1082    H    ILE 145           H        ILE 145 125.234   8.723   0.637
 1083    HA   ILE 145           HA       ILE 145 124.790   6.724   2.802
 1084    HB   ILE 145           HB       ILE 145 123.095   8.505   1.906
 1085   1HG1  ILE 145          1HG1      ILE 145 122.702   6.470   3.440
 1086   2HG1  ILE 145          2HG1      ILE 145 121.300   7.108   2.580
 1087   1HG2  ILE 145          1HG2      ILE 145 123.474   7.883  -0.487
 1088   2HG2  ILE 145          2HG2      ILE 145 122.753   6.309  -0.154
 1089   3HG2  ILE 145          3HG2      ILE 145 121.781   7.771  -0.005
 1090   1HD1  ILE 145          1HD1      ILE 145 122.953   4.934   1.326
 1091   2HD1  ILE 145          2HD1      ILE 145 121.753   4.526   2.548
 1092   3HD1  ILE 145          3HD1      ILE 145 121.258   5.334   1.060
 1093    H    SER 146           H        SER 146 125.157   4.581   2.362
 1094    HA   SER 146           HA       SER 146 125.790   3.818  -0.463
 1095   1HB   SER 146          1HB       SER 146 127.371   3.651   1.591
 1096   2HB   SER 146          2HB       SER 146 126.411   2.242   2.023
 1097    HG   SER 146           HG       SER 146 128.388   2.104   0.520
 1098    H    TRP 147           H        TRP 147 124.914   1.677  -1.252
 1099    HA   TRP 147           HA       TRP 147 122.219   0.973  -0.340
 1100   1HB   TRP 147          1HB       TRP 147 124.197   0.272  -2.423
 1101   2HB   TRP 147          2HB       TRP 147 123.127  -1.041  -1.932
 1102    HD1  TRP 147           HD1      TRP 147 122.691   2.701  -2.699
 1103    HE1  TRP 147           HE1      TRP 147 120.599   3.029  -4.159
 1104    HE3  TRP 147           HE3      TRP 147 121.142  -2.130  -3.001
 1105    HZ2  TRP 147           HZ2      TRP 147 118.503   1.416  -5.277
 1106    HZ3  TRP 147           HZ3      TRP 147 119.088  -2.716  -4.258
 1107    HH2  TRP 147           HH2      TRP 147 117.768  -0.952  -5.395
 1108    H    VAL 148           H        VAL 148 121.713  -0.576   1.144
 1109    HA   VAL 148           HA       VAL 148 123.910  -2.411   2.043
 1110    HB   VAL 148           HB       VAL 148 121.815  -0.974   3.670
 1111   1HG1  VAL 148          1HG1      VAL 148 123.866  -3.027   4.507
 1112   2HG1  VAL 148          2HG1      VAL 148 122.859  -2.091   5.612
 1113   3HG1  VAL 148          3HG1      VAL 148 122.114  -3.242   4.503
 1114   1HG2  VAL 148          1HG2      VAL 148 124.837  -0.815   3.562
 1115   2HG2  VAL 148          2HG2      VAL 148 123.699   0.456   3.116
 1116   3HG2  VAL 148          3HG2      VAL 148 123.855  -0.035   4.802
 1117    H    GLN 149           H        GLN 149 123.086  -4.330   3.113
 1118    HA   GLN 149           HA       GLN 149 121.145  -5.767   1.562
 1119   1HB   GLN 149          1HB       GLN 149 123.004  -6.775   2.872
 1120   2HB   GLN 149          2HB       GLN 149 122.215  -6.268   4.366
 1121   1HG   GLN 149          1HG       GLN 149 120.635  -7.915   4.249
 1122   2HG   GLN 149          2HG       GLN 149 120.528  -7.826   2.490
 1123   2HE2  GLN 149          2HE2      GLN 149 121.586  -9.464   1.339
 1124   1HE2  GLN 149          1HE2      GLN 149 122.726 -10.530   2.007
 1125    H    GLN 150           H        GLN 150 118.844  -6.198   2.125
 1126    HA   GLN 150           HA       GLN 150 117.697  -4.152   3.893
 1127   1HB   GLN 150          1HB       GLN 150 116.873  -4.897   1.593
 1128   2HB   GLN 150          2HB       GLN 150 115.641  -4.867   2.856
 1129   1HG   GLN 150          1HG       GLN 150 116.961  -7.420   2.893
 1130   2HG   GLN 150          2HG       GLN 150 115.267  -7.068   2.557
 1131   2HE2  GLN 150          2HE2      GLN 150 115.173  -8.642   0.797
 1132   1HE2  GLN 150          1HE2      GLN 150 115.954  -8.357  -0.683
 1133    H    THR 151           H        THR 151 115.766  -5.065   5.318
 1134    HA   THR 151           HA       THR 151 116.893  -7.290   6.943
 1135    HB   THR 151           HB       THR 151 114.857  -6.171   8.388
 1136    HG1  THR 151           HG1      THR 151 115.501  -3.812   7.851
 1137   1HG2  THR 151          1HG2      THR 151 117.516  -6.395   8.660
 1138   2HG2  THR 151          2HG2      THR 151 117.423  -4.660   8.354
 1139   3HG2  THR 151          3HG2      THR 151 116.549  -5.364   9.715
 1140    H    ALA 152           H        ALA 152 114.914  -8.702   7.914
 1141    HA   ALA 152           HA       ALA 152 113.342  -9.789   5.758
 1142   1HB   ALA 152          1HB       ALA 152 113.755 -11.161   7.647
 1143   2HB   ALA 152          2HB       ALA 152 113.302  -9.884   8.776
 1144   3HB   ALA 152          3HB       ALA 152 112.061 -10.709   7.833
 1145    H    GLN 153           H        GLN 153 112.594  -7.536   8.387
 1146    HA   GLN 153           HA       GLN 153 109.851  -7.108   7.672
 1147   1HB   GLN 153          1HB       GLN 153 110.154  -5.152   9.236
 1148   2HB   GLN 153          2HB       GLN 153 110.681  -6.701   9.892
 1149   1HG   GLN 153          1HG       GLN 153 112.973  -5.850   8.673
 1150   2HG   GLN 153          2HG       GLN 153 112.274  -4.314   9.184
 1151   2HE2  GLN 153          2HE2      GLN 153 114.403  -6.578  10.252
 1152   1HE2  GLN 153          1HE2      GLN 153 114.152  -6.461  11.926
 1153    H    ASP 154           H        ASP 154 112.720  -5.043   7.095
 1154    HA   ASP 154           HA       ASP 154 111.172  -3.091   5.642
 1155   1HB   ASP 154          1HB       ASP 154 113.347  -2.079   5.182
 1156   2HB   ASP 154          2HB       ASP 154 114.164  -3.612   5.489
 1157    H    ALA 155           H        ALA 155 112.988  -5.935   4.596
 1158    HA   ALA 155           HA       ALA 155 112.963  -5.491   1.775
 1159   1HB   ALA 155          1HB       ALA 155 113.381  -7.779   1.685
 1160   2HB   ALA 155          2HB       ALA 155 112.175  -8.146   2.919
 1161   3HB   ALA 155          3HB       ALA 155 113.744  -7.494   3.386
 1162    H    LYS 156           H        LYS 156 110.429  -6.818   3.887
 1163    HA   LYS 156           HA       LYS 156 108.457  -7.166   1.862
 1164   1HB   LYS 156          1HB       LYS 156 108.714  -7.924   4.424
 1165   2HB   LYS 156          2HB       LYS 156 107.131  -7.818   3.658
 1166   1HG   LYS 156          1HG       LYS 156 108.162  -5.300   4.846
 1167   2HG   LYS 156          2HG       LYS 156 107.740  -6.573   5.990
 1168   1HD   LYS 156          1HD       LYS 156 105.974  -5.225   3.944
 1169   2HD   LYS 156          2HD       LYS 156 105.540  -6.782   4.651
 1170   1HE   LYS 156          1HE       LYS 156 106.317  -5.144   6.825
 1171   2HE   LYS 156          2HE       LYS 156 104.666  -5.642   6.406
 1172   1HZ   LYS 156          1HZ       LYS 156 105.921  -3.502   4.840
 1173   2HZ   LYS 156          2HZ       LYS 156 104.289  -3.716   5.259
 1174   3HZ   LYS 156          3HZ       LYS 156 105.384  -3.113   6.405
 1175    H    SER 157           H        SER 157 109.634  -4.423   3.571
 1176    HA   SER 157           HA       SER 157 107.412  -2.571   3.086
 1177   1HB   SER 157          1HB       SER 157 110.143  -2.659   4.136
 1178   2HB   SER 157          2HB       SER 157 109.816  -1.211   3.189
 1179    HG   SER 157           HG       SER 157 107.862  -1.026   4.480
 1180    H    GLY 158           H        GLY 158 109.675  -4.325   1.255
 1181   1HA   GLY 158          1HA       GLY 158 110.124  -4.280  -1.071
 1182   2HA   GLY 158          2HA       GLY 158 109.026  -2.900  -1.222
 1183    H    VAL 159           H        VAL 159 111.748  -3.249   0.966
 1184    HA   VAL 159           HA       VAL 159 113.224  -1.090  -0.558
 1185    HB   VAL 159           HB       VAL 159 113.555  -0.096   1.819
 1186   1HG1  VAL 159          1HG1      VAL 159 111.381   0.105  -0.111
 1187   2HG1  VAL 159          2HG1      VAL 159 110.851   0.544   1.513
 1188   3HG1  VAL 159          3HG1      VAL 159 112.211   1.387   0.771
 1189   1HG2  VAL 159          1HG2      VAL 159 111.183  -1.932   2.236
 1190   2HG2  VAL 159          2HG2      VAL 159 112.710  -1.953   3.118
 1191   3HG2  VAL 159          3HG2      VAL 159 111.596  -0.600   3.315
 1192    H    ALA 160           H        ALA 160 115.490  -0.779   0.399
 1193    HA   ALA 160           HA       ALA 160 116.493  -3.293   1.614
 1194   1HB   ALA 160          1HB       ALA 160 118.591  -2.069   0.140
 1195   2HB   ALA 160          2HB       ALA 160 117.154  -1.966  -0.877
 1196   3HB   ALA 160          3HB       ALA 160 117.712  -3.534  -0.295
 1197    H    SER 161           H        SER 161 118.692  -2.789   2.893
 1198    HA   SER 161           HA       SER 161 118.148  -0.512   4.564
 1199   1HB   SER 161          1HB       SER 161 119.179  -2.629   5.322
 1200   2HB   SER 161          2HB       SER 161 120.600  -2.289   4.339
 1201    HG   SER 161           HG       SER 161 120.195  -1.553   6.797
 1202    H    THR 162           H        THR 162 119.279   1.479   4.643
 1203    HA   THR 162           HA       THR 162 121.188   1.993   2.382
 1204    HB   THR 162           HB       THR 162 120.091   4.420   3.268
 1205    HG1  THR 162           HG1      THR 162 118.495   3.455   4.419
 1206   1HG2  THR 162          1HG2      THR 162 120.545   3.682   0.935
 1207   2HG2  THR 162          2HG2      THR 162 119.132   2.634   1.018
 1208   3HG2  THR 162          3HG2      THR 162 118.937   4.383   1.114
 1209    H    TYR 163           H        TYR 163 123.157   2.953   3.062
 1210    HA   TYR 163           HA       TYR 163 123.434   3.417   6.019
 1211   1HB   TYR 163          1HB       TYR 163 124.731   1.616   4.518
 1212   2HB   TYR 163          2HB       TYR 163 125.756   3.015   4.191
 1213    HD1  TYR 163           HD1      TYR 163 125.435   4.477   6.796
 1214    HD2  TYR 163           HD2      TYR 163 126.124   0.323   5.965
 1215    HE1  TYR 163           HE1      TYR 163 126.493   4.213   9.019
 1216    HE2  TYR 163           HE2      TYR 163 127.183   0.059   8.194
 1217    HH   TYR 163           HH       TYR 163 127.290   2.749  10.510
 1218    H    ASP 164           H        ASP 164 123.899   5.449   6.667
 1219    HA   ASP 164           HA       ASP 164 124.977   7.337   4.625
 1220   1HB   ASP 164          1HB       ASP 164 122.500   7.386   5.957
 1221   2HB   ASP 164          2HB       ASP 164 123.501   8.517   6.869
 1222    H    LEU 165           H        LEU 165 127.090   7.485   5.286
 1223    HA   LEU 165           HA       LEU 165 127.913   6.956   8.016
 1224   1HB   LEU 165          1HB       LEU 165 130.144   7.712   6.938
 1225   2HB   LEU 165          2HB       LEU 165 129.353   6.281   6.279
 1226    HG   LEU 165           HG       LEU 165 128.216   8.435   4.888
 1227   1HD1  LEU 165          1HD1      LEU 165 130.783   9.165   5.902
 1228   2HD1  LEU 165          2HD1      LEU 165 130.898   8.980   4.151
 1229   3HD1  LEU 165          3HD1      LEU 165 129.714  10.089   4.848
 1230   1HD2  LEU 165          1HD2      LEU 165 129.884   6.092   4.401
 1231   2HD2  LEU 165          2HD2      LEU 165 128.590   6.768   3.411
 1232   3HD2  LEU 165          3HD2      LEU 165 130.232   7.396   3.265
 1233    H    VAL 166           H        VAL 166 128.394   9.870   6.000
 1234    HA   VAL 166           HA       VAL 166 129.029  11.452   8.364
 1235    HB   VAL 166           HB       VAL 166 128.932  11.831   5.383
 1236   1HG1  VAL 166          1HG1      VAL 166 128.021  13.910   6.413
 1237   2HG1  VAL 166          2HG1      VAL 166 129.475  14.025   7.404
 1238   3HG1  VAL 166          3HG1      VAL 166 129.591  14.169   5.651
 1239   1HG2  VAL 166          1HG2      VAL 166 131.046  11.964   7.546
 1240   2HG2  VAL 166          2HG2      VAL 166 130.944  10.830   6.204
 1241   3HG2  VAL 166          3HG2      VAL 166 131.342  12.515   5.896
 1242    H    LYS 167           H        LYS 167 126.082  10.835   6.580
 1243    HA   LYS 167           HA       LYS 167 125.046  13.438   7.413
 1244   1HB   LYS 167          1HB       LYS 167 124.587  12.569   5.179
 1245   2HB   LYS 167          2HB       LYS 167 123.804  11.148   5.865
 1246   1HG   LYS 167          1HG       LYS 167 122.282  13.082   5.073
 1247   2HG   LYS 167          2HG       LYS 167 121.968  12.397   6.667
 1248   1HD   LYS 167          1HD       LYS 167 123.374  14.215   7.667
 1249   2HD   LYS 167          2HD       LYS 167 123.515  14.935   6.064
 1250   1HE   LYS 167          1HE       LYS 167 120.744  14.413   6.508
 1251   2HE   LYS 167          2HE       LYS 167 121.375  15.247   7.942
 1252   1HZ   LYS 167          1HZ       LYS 167 122.471  16.839   6.459
 1253   2HZ   LYS 167          2HZ       LYS 167 121.768  16.075   5.114
 1254   3HZ   LYS 167          3HZ       LYS 167 120.787  16.860   6.257
 1255    H    GLN 168           H        GLN 168 124.912  10.161   8.647
 1256    HA   GLN 168           HA       GLN 168 123.596  10.901  11.067
 1257   1HB   GLN 168          1HB       GLN 168 121.695  11.590   9.883
 1258   2HB   GLN 168          2HB       GLN 168 121.803  10.250   8.743
 1259   1HG   GLN 168          1HG       GLN 168 120.931   8.707  10.283
 1260   2HG   GLN 168          2HG       GLN 168 121.330   9.722  11.669
 1261   2HE2  GLN 168          2HE2      GLN 168 118.861   9.189  12.053
 1262   1HE2  GLN 168          1HE2      GLN 168 117.755  10.297  11.395
 1263    H    ASN 169           H        ASN 169 124.964   8.520   9.174
 1264    HA   ASN 169           HA       ASN 169 125.673   6.367  10.100
 1265   1HB   ASN 169          1HB       ASN 169 124.076   7.316  12.147
 1266   2HB   ASN 169          2HB       ASN 169 123.165   5.911  11.592
 1267   2HD2  ASN 169          2HD2      ASN 169 126.729   6.417  11.667
 1268   1HD2  ASN 169          1HD2      ASN 169 127.046   5.094  12.681
 1269    HA   PRO 170           HA       PRO 170 123.266   4.068   7.432
 1270   1HB   PRO 170          1HB       PRO 170 122.523   1.625   8.519
 1271   2HB   PRO 170          2HB       PRO 170 124.182   2.052   8.061
 1272   1HG   PRO 170          1HG       PRO 170 124.628   1.714  10.260
 1273   2HG   PRO 170          2HG       PRO 170 122.940   1.936  10.733
 1274   1HD   PRO 170          1HD       PRO 170 123.495   4.021  11.414
 1275   2HD   PRO 170          2HD       PRO 170 125.112   3.878  10.689
 1276    H    LEU 171           H        LEU 171 121.038   3.291   6.649
 1277    HA   LEU 171           HA       LEU 171 118.802   3.775   8.595
 1278   1HB   LEU 171          1HB       LEU 171 119.522   5.734   6.973
 1279   2HB   LEU 171          2HB       LEU 171 118.717   4.757   5.745
 1280    HG   LEU 171           HG       LEU 171 116.638   4.794   6.989
 1281   1HD1  LEU 171          1HD1      LEU 171 118.373   6.044   9.115
 1282   2HD1  LEU 171          2HD1      LEU 171 116.628   6.301   9.107
 1283   3HD1  LEU 171          3HD1      LEU 171 117.279   4.668   9.255
 1284   1HD2  LEU 171          1HD2      LEU 171 118.047   7.425   6.589
 1285   2HD2  LEU 171          2HD2      LEU 171 116.737   6.715   5.645
 1286   3HD2  LEU 171          3HD2      LEU 171 116.408   7.393   7.240
 1287    H    ASN 172           H        ASN 172 116.768   2.794   7.861
 1288    HA   ASN 172           HA       ASN 172 117.299   0.409   6.117
 1289   1HB   ASN 172          1HB       ASN 172 115.454  -0.557   7.600
 1290   2HB   ASN 172          2HB       ASN 172 116.997  -0.235   8.391
 1291   2HD2  ASN 172          2HD2      ASN 172 113.617   0.604   8.346
 1292   1HD2  ASN 172          1HD2      ASN 172 113.683   1.783   9.564
 1293    H    ASN 173           H        ASN 173 115.809  -0.142   4.624
 1294    HA   ASN 173           HA       ASN 173 113.819  -0.143   3.407
 1295   1HB   ASN 173          1HB       ASN 173 111.982   1.267   4.073
 1296   2HB   ASN 173          2HB       ASN 173 113.063   2.407   4.870
 1297   2HD2  ASN 173          2HD2      ASN 173 111.134   1.589   6.543
 1298   1HD2  ASN 173          1HD2      ASN 173 111.662   0.380   7.611
 1299    H    ILE 174           H        ILE 174 115.211   0.240   1.708
 1300    HA   ILE 174           HA       ILE 174 114.715   2.708   0.284
 1301    HB   ILE 174           HB       ILE 174 117.495   1.982   1.287
 1302   1HG1  ILE 174          1HG1      ILE 174 117.438   4.337   2.145
 1303   2HG1  ILE 174          2HG1      ILE 174 116.204   3.315   2.873
 1304   1HG2  ILE 174          1HG2      ILE 174 116.696   3.269  -1.166
 1305   2HG2  ILE 174          2HG2      ILE 174 117.565   4.414  -0.144
 1306   3HG2  ILE 174          3HG2      ILE 174 118.321   2.887  -0.598
 1307   1HD1  ILE 174          1HD1      ILE 174 115.051   4.387   0.525
 1308   2HD1  ILE 174          2HD1      ILE 174 114.659   4.808   2.192
 1309   3HD1  ILE 174          3HD1      ILE 174 115.882   5.726   1.314
 1310    H    LYS 175           H        LYS 175 114.173   1.928  -1.567
 1311    HA   LYS 175           HA       LYS 175 115.688   0.433  -3.477
 1312   1HB   LYS 175          1HB       LYS 175 115.670  -1.627  -2.548
 1313   2HB   LYS 175          2HB       LYS 175 114.696  -1.057  -1.198
 1314   1HG   LYS 175          1HG       LYS 175 112.691  -1.195  -2.807
 1315   2HG   LYS 175          2HG       LYS 175 113.365  -2.724  -2.245
 1316   1HD   LYS 175          1HD       LYS 175 114.636  -1.642  -4.681
 1317   2HD   LYS 175          2HD       LYS 175 112.943  -2.095  -4.879
 1318   1HE   LYS 175          1HE       LYS 175 113.583  -4.311  -3.708
 1319   2HE   LYS 175          2HE       LYS 175 114.212  -4.085  -5.352
 1320   1HZ   LYS 175          1HZ       LYS 175 116.209  -3.057  -4.328
 1321   2HZ   LYS 175          2HZ       LYS 175 115.629  -3.527  -2.802
 1322   3HZ   LYS 175          3HZ       LYS 175 116.031  -4.705  -3.954
 1323    H    ALA 176           H        ALA 176 112.607   1.160  -1.960
 1324    HA   ALA 176           HA       ALA 176 110.790   0.632  -4.071
 1325   1HB   ALA 176          1HB       ALA 176 111.010   2.239  -1.643
 1326   2HB   ALA 176          2HB       ALA 176 110.052   3.057  -2.878
 1327   3HB   ALA 176          3HB       ALA 176 109.590   1.447  -2.326
 1328    H    SER 177           H        SER 177 113.292   3.015  -3.627
 1329    HA   SER 177           HA       SER 177 112.456   4.914  -5.689
 1330   1HB   SER 177          1HB       SER 177 113.984   5.046  -3.541
 1331   2HB   SER 177          2HB       SER 177 115.241   4.527  -4.661
 1332    HG   SER 177           HG       SER 177 113.540   6.792  -4.874
 1333    H    GLU 178           H        GLU 178 115.187   2.634  -5.397
 1334    HA   GLU 178           HA       GLU 178 115.786   1.028  -7.158
 1335   1HB   GLU 178          1HB       GLU 178 113.792   1.945  -8.455
 1336   2HB   GLU 178          2HB       GLU 178 114.883   3.185  -9.078
 1337   1HG   GLU 178          1HG       GLU 178 116.267   0.761  -9.398
 1338   2HG   GLU 178          2HG       GLU 178 115.511   1.722 -10.670
 1339    H    SER 179           H        SER 179 117.298   3.064  -5.719
 1340    HA   SER 179           HA       SER 179 119.798   2.923  -6.666
 1341   1HB   SER 179          1HB       SER 179 119.922   5.125  -8.128
 1342   2HB   SER 179          2HB       SER 179 119.375   3.621  -8.862
 1343    HG   SER 179           HG       SER 179 118.060   5.917  -8.589
 1344    H    ASN 180           H        ASN 180 119.078   3.438  -4.201
 1345    HA   ASN 180           HA       ASN 180 119.027   6.332  -3.694
 1346   1HB   ASN 180          1HB       ASN 180 118.042   3.904  -2.499
 1347   2HB   ASN 180          2HB       ASN 180 118.813   4.940  -1.297
 1348   2HD2  ASN 180          2HD2      ASN 180 115.845   4.365  -2.644
 1349   1HD2  ASN 180          1HD2      ASN 180 115.156   5.909  -2.491
 1350    H    ALA 181           H        ALA 181 121.595   4.229  -3.918
 1351    HA   ALA 181           HA       ALA 181 123.118   6.039  -2.170
 1352   1HB   ALA 181          1HB       ALA 181 123.295   4.607  -0.438
 1353   2HB   ALA 181          2HB       ALA 181 122.133   3.557  -1.247
 1354   3HB   ALA 181          3HB       ALA 181 123.862   3.331  -1.505
 1355    H    TYR 182           H        TYR 182 124.117   2.791  -3.115
 1356    HA   TYR 182           HA       TYR 182 125.238   3.115  -5.635
 1357   1HB   TYR 182          1HB       TYR 182 126.237   5.173  -4.764
 1358   2HB   TYR 182          2HB       TYR 182 127.477   4.010  -5.204
 1359    HD1  TYR 182           HD1      TYR 182 128.548   2.591  -3.412
 1360    HD2  TYR 182           HD2      TYR 182 126.083   5.997  -2.531
 1361    HE1  TYR 182           HE1      TYR 182 129.536   2.718  -1.142
 1362    HE2  TYR 182           HE2      TYR 182 127.076   6.128  -0.262
 1363    HH   TYR 182           HH       TYR 182 128.587   5.297   1.132
 1364    H    ALA 183           H        ALA 183 127.398   1.903  -5.939
 1365    HA   ALA 183           HA       ALA 183 127.323  -0.562  -4.265
 1366   1HB   ALA 183          1HB       ALA 183 127.850   0.181  -7.069
 1367   2HB   ALA 183          2HB       ALA 183 127.155  -1.298  -6.407
 1368   3HB   ALA 183          3HB       ALA 183 128.903  -1.081  -6.433
 1369    H    THR 184           H        THR 184 129.345  -1.413  -3.415
 1370    HA   THR 184           HA       THR 184 131.654   0.498  -3.489
 1371    HB   THR 184           HB       THR 184 131.422  -1.414  -1.248
 1372    HG1  THR 184           HG1      THR 184 129.674   0.761  -1.161
 1373   1HG2  THR 184          1HG2      THR 184 133.001   0.586  -1.516
 1374   2HG2  THR 184          2HG2      THR 184 131.595   1.601  -1.198
 1375   3HG2  THR 184          3HG2      THR 184 132.153   0.459   0.025
 1376    H    CYS 185           H        CYS 185 133.630  -0.451  -4.136
 1377    HA   CYS 185           HA       CYS 185 133.578  -3.413  -4.663
 1378   1HB   CYS 185          1HB       CYS 185 134.981  -2.904  -6.519
 1379   2HB   CYS 185          2HB       CYS 185 135.351  -1.296  -5.895
 1380    H    VAL 186           H        VAL 186 134.814  -4.546  -3.290
 1381    HA   VAL 186           HA       VAL 186 137.120  -3.153  -1.999
 1382    HB   VAL 186           HB       VAL 186 136.584  -5.369  -0.459
 1383   1HG1  VAL 186          1HG1      VAL 186 136.610  -2.685  -0.120
 1384   2HG1  VAL 186          2HG1      VAL 186 134.880  -2.989   0.054
 1385   3HG1  VAL 186          3HG1      VAL 186 136.031  -3.801   1.117
 1386   1HG2  VAL 186          1HG2      VAL 186 133.961  -4.370  -1.627
 1387   2HG2  VAL 186          2HG2      VAL 186 134.628  -5.995  -1.799
 1388   3HG2  VAL 186          3HG2      VAL 186 134.100  -5.421  -0.218
 1389    H    LYS 187           H        LYS 187 139.173  -4.072  -2.425
 1390    HA   LYS 187           HA       LYS 187 140.777  -5.628  -3.191
 1391   1HB   LYS 187          1HB       LYS 187 139.259  -6.997  -1.576
 1392   2HB   LYS 187          2HB       LYS 187 138.574  -7.684  -3.049
 1393   1HG   LYS 187          1HG       LYS 187 140.565  -8.729  -3.654
 1394   2HG   LYS 187          2HG       LYS 187 141.556  -7.599  -2.730
 1395   1HD   LYS 187          1HD       LYS 187 141.462  -9.828  -1.646
 1396   2HD   LYS 187          2HD       LYS 187 140.746  -8.579  -0.628
 1397   1HE   LYS 187          1HE       LYS 187 138.534  -9.330  -1.981
 1398   2HE   LYS 187          2HE       LYS 187 139.431 -10.861  -2.017
 1399   1HZ   LYS 187          1HZ       LYS 187 139.430  -9.341   0.481
 1400   2HZ   LYS 187          2HZ       LYS 187 138.000 -10.161   0.071
 1401   3HZ   LYS 187          3HZ       LYS 187 139.456 -11.019   0.238

  No H/Q in entry =        1401