data_17731

save_entry_information
   _Entry.Sf_category                            entry_information
   _Entry.NMR_STAR_version                       3.0.9.13
   _Entry.Entry_ID                               17731
   _Entry.PDB_ID                                 2LEW
save_

save_delta_chem_shifts
   _Entity_delta_chem_shifts.Sf_category         delta_chem_shifts
   _Entity_delta_chem_shifts.Sf_framecode        delta_chem_shifts
   _Entity_delta_chem_shifts.Model_type          single
   _Entity_delta_chem_shifts.Entry_ID            17731
   _Entity_delta_chem_shifts.ID                  1
			
   loop_
      _Delta_CS.Atom_chem_shift_ID
      _Delta_CS.Entity_delta_chem_shifts_ID
      _Delta_CS.Conformer_ID
      _Delta_CS.Assembly_atom_ID
      _Delta_CS.Entity_assembly_ID
      _Delta_CS.Entity_ID
      _Delta_CS.Comp_index_ID
      _Delta_CS.Seq_ID
      _Delta_CS.Comp_ID
      _Delta_CS.Atom_ID
      _Delta_CS.Atom_type
      _Delta_CS.Auth_seq_ID
      _Delta_CS.Original_CS_value
      _Delta_CS.Corrected_CS_value
      _Delta_CS.Sparta_CS_value	
      _Delta_CS.Delta_CS_value
      _Delta_CS.Entry_ID

           1   1    1   .   1   1    2    2   LEU   HA   H   2     4.355     4.355    3.947    0.408  17731
           2   1    1   .   1   1    3    3   LEU   HA   H   3     4.406     4.406    4.639   -0.233  17731
           3   1    1   .   1   1    3    3   LEU    H   H   3     8.341     8.341    8.065    0.276  17731
           4   1    1   .   1   1    4    4   CYS   HA   H   4     5.096     5.096    4.371    0.725  17731
           5   1    1   .   1   1    4    4   CYS    H   H   4     7.946     7.946    7.636    0.310  17731
           6   1    1   .   1   1    5    5   TYR   HA   H   5     4.836     4.836    4.968   -0.132  17731
           7   1    1   .   1   1    5    5   TYR    H   H   5     8.663     8.663    8.157    0.506  17731
           8   1    1   .   1   1    6    6   CYS   HA   H   6     5.781     5.781    5.665    0.116  17731
           9   1    1   .   1   1    6    6   CYS    H   H   6     8.942     8.942    9.169   -0.227  17731
          10   1    1   .   1   1    7    7   ARG   HA   H   7     4.738     4.738    4.729    0.009  17731
          11   1    1   .   1   1    7    7   ARG    H   H   7     9.828     9.828    9.311    0.517  17731
          12   1    1   .   1   1    8    8   LYS   HA   H   8     3.882     3.882    3.488    0.394  17731
          13   1    1   .   1   1    8    8   LYS    H   H   8     8.639     8.639    8.662   -0.023  17731
          14   1    1   .   1   1    9    9   GLY    H   H   9     8.781     8.781    8.714    0.067  17731
          15   1    1   .   1   1   10   10   HIS   HA   H  10     4.545     4.545    4.716   -0.171  17731
          16   1    1   .   1   1   10   10   HIS    H   H  10     8.076     8.076    7.871    0.205  17731
          17   1    1   .   1   1   11   11   CYS   HA   H  11     4.842     4.842    4.449    0.393  17731
          18   1    1   .   1   1   11   11   CYS    H   H  11     8.854     8.854    8.481    0.373  17731
          19   1    1   .   1   1   12   12   LYS   HA   H  12     4.340     4.340    4.317    0.023  17731
          20   1    1   .   1   1   12   12   LYS    H   H  12     7.967     7.967    8.410   -0.443  17731
          21   1    1   .   1   1   13   13   ARG   HA   H  13     4.048     4.048    3.973    0.075  17731
          22   1    1   .   1   1   13   13   ARG    H   H  13     8.470     8.470    8.905   -0.435  17731
          23   1    1   .   1   1   15   15   GLY    H   H  15     8.385     8.385    8.351    0.034  17731
          24   1    1   .   1   1   16   16   ARG   HA   H  16     4.701     4.701    4.603    0.098  17731
          25   1    1   .   1   1   16   16   ARG    H   H  16     8.855     8.855    8.164    0.691  17731
          26   1    1   .   1   1   17   17   VAL   HA   H  17     4.065     4.065    3.839    0.226  17731
          27   1    1   .   1   1   17   17   VAL    H   H  17     8.749     8.749    7.972    0.777  17731
          28   1    1   .   1   1   18   18   ARG   HA   H  18     4.700     4.700    4.412    0.288  17731
          29   1    1   .   1   1   18   18   ARG    H   H  18     9.500     9.500    9.081    0.419  17731
          30   1    1   .   1   1   19   19   GLY    H   H  19     7.821     7.821    7.820    0.001  17731
          31   1    1   .   1   1   20   20   THR   HA   H  20     5.065     5.065    4.475    0.590  17731
          32   1    1   .   1   1   20   20   THR    H   H  20     8.608     8.608    8.267    0.341  17731
          33   1    1   .   1   1   21   21   CYS   HA   H  21     4.874     4.874    4.517    0.357  17731
          34   1    1   .   1   1   21   21   CYS    H   H  21     8.159     8.159    8.710   -0.551  17731
          35   1    1   .   1   1   22   22   GLY    H   H  22     8.319     8.319    7.647    0.672  17731
          36   1    1   .   1   1   23   23   ILE   HA   H  23     4.028     4.028    4.448   -0.420  17731
          37   1    1   .   1   1   23   23   ILE    H   H  23     8.145     8.145    8.286   -0.141  17731
          38   1    1   .   1   1   24   24   ARG   HA   H  24     3.991     3.991    3.974    0.017  17731
          39   1    1   .   1   1   24   24   ARG    H   H  24     8.457     8.457    9.024   -0.568  17731
          40   1    1   .   1   1   25   25   PHE   HA   H  25     4.904     4.904    5.121   -0.217  17731
          41   1    1   .   1   1   25   25   PHE    H   H  25     7.854     7.854    7.652    0.202  17731
          42   1    1   .   1   1   26   26   LEU   HA   H  26     4.635     4.635    4.761   -0.126  17731
          43   1    1   .   1   1   26   26   LEU    H   H  26     8.983     8.983    9.454   -0.471  17731
          44   1    1   .   1   1   27   27   TYR   HA   H  27     4.959     4.959    5.256   -0.297  17731
          45   1    1   .   1   1   27   27   TYR    H   H  27     8.222     8.222    9.230   -1.008  17731
          46   1    1   .   1   1   28   28   CYS   HA   H  28     4.979     4.979    4.899    0.080  17731
          47   1    1   .   1   1   28   28   CYS    H   H  28     8.768     8.768    8.534    0.234  17731
          48   1    1   .   1   1   29   29   CYS   HA   H  29     5.059     5.059    4.560    0.499  17731
          49   1    1   .   1   1   29   29   CYS    H   H  29     8.878     8.878    8.662    0.216  17731
          50   1    1   .   1   1   30   30   PRO   HA   H  30     4.716     4.716    4.426    0.290  17731
          51   1    1   .   1   1   31   31   ARG   HA   H  31     4.103     4.103    4.347   -0.244  17731
          52   1    1   .   1   1   31   31   ARG    H   H  31     8.429     8.429    8.253    0.176  17731
          53   1    2   .   1   1    2    2   LEU   HA   H   2     4.355     4.355    3.909    0.446  17731
          54   1    2   .   1   1    3    3   LEU   HA   H   3     4.406     4.406    4.287    0.119  17731
          55   1    2   .   1   1    3    3   LEU    H   H   3     8.341     8.341    7.864    0.477  17731
          56   1    2   .   1   1    4    4   CYS   HA   H   4     5.096     5.096    4.052    1.044  17731
          57   1    2   .   1   1    4    4   CYS    H   H   4     7.946     7.946    8.216   -0.270  17731
          58   1    2   .   1   1    5    5   TYR   HA   H   5     4.836     4.836    4.981   -0.145  17731
          59   1    2   .   1   1    5    5   TYR    H   H   5     8.663     8.663    8.486    0.177  17731
          60   1    2   .   1   1    6    6   CYS   HA   H   6     5.781     5.781    5.278    0.503  17731
          61   1    2   .   1   1    6    6   CYS    H   H   6     8.942     8.942    9.162   -0.220  17731
          62   1    2   .   1   1    7    7   ARG   HA   H   7     4.738     4.738    4.812   -0.074  17731
          63   1    2   .   1   1    7    7   ARG    H   H   7     9.828     9.828    9.493    0.335  17731
          64   1    2   .   1   1    8    8   LYS   HA   H   8     3.882     3.882    3.085    0.797  17731
          65   1    2   .   1   1    8    8   LYS    H   H   8     8.639     8.639    8.794   -0.155  17731
          66   1    2   .   1   1    9    9   GLY    H   H   9     8.781     8.781    8.532    0.249  17731
          67   1    2   .   1   1   10   10   HIS   HA   H  10     4.545     4.545    4.672   -0.127  17731
          68   1    2   .   1   1   10   10   HIS    H   H  10     8.076     8.076    8.134   -0.058  17731
          69   1    2   .   1   1   11   11   CYS   HA   H  11     4.842     4.842    4.353    0.489  17731
          70   1    2   .   1   1   11   11   CYS    H   H  11     8.854     8.854    8.774    0.080  17731
          71   1    2   .   1   1   12   12   LYS   HA   H  12     4.340     4.340    4.358   -0.018  17731
          72   1    2   .   1   1   12   12   LYS    H   H  12     7.967     7.967    8.602   -0.635  17731
          73   1    2   .   1   1   13   13   ARG   HA   H  13     4.048     4.048    3.994    0.054  17731
          74   1    2   .   1   1   13   13   ARG    H   H  13     8.470     8.470    8.911   -0.441  17731
          75   1    2   .   1   1   15   15   GLY    H   H  15     8.385     8.385    7.615    0.770  17731
          76   1    2   .   1   1   16   16   ARG   HA   H  16     4.701     4.701    4.732   -0.031  17731
          77   1    2   .   1   1   16   16   ARG    H   H  16     8.855     8.855    8.740    0.115  17731
          78   1    2   .   1   1   17   17   VAL   HA   H  17     4.065     4.065    3.938    0.127  17731
          79   1    2   .   1   1   17   17   VAL    H   H  17     8.749     8.749    8.775   -0.026  17731
          80   1    2   .   1   1   18   18   ARG   HA   H  18     4.700     4.700    4.418    0.282  17731
          81   1    2   .   1   1   18   18   ARG    H   H  18     9.500     9.500    9.229    0.271  17731
          82   1    2   .   1   1   19   19   GLY    H   H  19     7.821     7.821    7.850   -0.029  17731
          83   1    2   .   1   1   20   20   THR   HA   H  20     5.065     5.065    4.709    0.356  17731
          84   1    2   .   1   1   20   20   THR    H   H  20     8.608     8.608    8.206    0.402  17731
          85   1    2   .   1   1   21   21   CYS   HA   H  21     4.874     4.874    4.656    0.218  17731
          86   1    2   .   1   1   21   21   CYS    H   H  21     8.159     8.159    8.767   -0.608  17731
          87   1    2   .   1   1   22   22   GLY    H   H  22     8.319     8.319    7.351    0.968  17731
          88   1    2   .   1   1   23   23   ILE   HA   H  23     4.028     4.028    4.229   -0.201  17731
          89   1    2   .   1   1   23   23   ILE    H   H  23     8.145     8.145    8.305   -0.160  17731
          90   1    2   .   1   1   24   24   ARG   HA   H  24     3.991     3.991    3.975    0.016  17731
          91   1    2   .   1   1   24   24   ARG    H   H  24     8.457     8.457    9.110   -0.653  17731
          92   1    2   .   1   1   25   25   PHE   HA   H  25     4.904     4.904    4.855    0.049  17731
          93   1    2   .   1   1   25   25   PHE    H   H  25     7.854     7.854    7.707    0.147  17731
          94   1    2   .   1   1   26   26   LEU   HA   H  26     4.635     4.635    4.955   -0.320  17731
          95   1    2   .   1   1   26   26   LEU    H   H  26     8.983     8.983    9.327   -0.344  17731
          96   1    2   .   1   1   27   27   TYR   HA   H  27     4.959     4.959    5.099   -0.140  17731
          97   1    2   .   1   1   27   27   TYR    H   H  27     8.222     8.222    9.229   -1.007  17731
          98   1    2   .   1   1   28   28   CYS   HA   H  28     4.979     4.979    5.002   -0.023  17731
          99   1    2   .   1   1   28   28   CYS    H   H  28     8.768     8.768    8.702    0.066  17731
         100   1    2   .   1   1   29   29   CYS   HA   H  29     5.059     5.059    4.722    0.337  17731
         101   1    2   .   1   1   29   29   CYS    H   H  29     8.878     8.878    8.922   -0.044  17731
         102   1    2   .   1   1   30   30   PRO   HA   H  30     4.716     4.716    4.902   -0.186  17731
         103   1    2   .   1   1   31   31   ARG   HA   H  31     4.103     4.103    4.504   -0.401  17731
         104   1    2   .   1   1   31   31   ARG    H   H  31     8.429     8.429    8.510   -0.081  17731
         105   1    3   .   1   1    2    2   LEU   HA   H   2     4.355     4.355    4.457   -0.102  17731
         106   1    3   .   1   1    3    3   LEU   HA   H   3     4.406     4.406    4.775   -0.369  17731
         107   1    3   .   1   1    3    3   LEU    H   H   3     8.341     8.341    7.638    0.703  17731
         108   1    3   .   1   1    4    4   CYS   HA   H   4     5.096     5.096    4.322    0.774  17731
         109   1    3   .   1   1    4    4   CYS    H   H   4     7.946     7.946    7.891    0.055  17731
         110   1    3   .   1   1    5    5   TYR   HA   H   5     4.836     4.836    5.043   -0.207  17731
         111   1    3   .   1   1    5    5   TYR    H   H   5     8.663     8.663    8.678   -0.015  17731
         112   1    3   .   1   1    6    6   CYS   HA   H   6     5.781     5.781    5.511    0.270  17731
         113   1    3   .   1   1    6    6   CYS    H   H   6     8.942     8.942    9.159   -0.217  17731
         114   1    3   .   1   1    7    7   ARG   HA   H   7     4.738     4.738    4.700    0.038  17731
         115   1    3   .   1   1    7    7   ARG    H   H   7     9.828     9.828    9.362    0.466  17731
         116   1    3   .   1   1    8    8   LYS   HA   H   8     3.882     3.882    2.989    0.893  17731
         117   1    3   .   1   1    8    8   LYS    H   H   8     8.639     8.639    8.632    0.007  17731
         118   1    3   .   1   1    9    9   GLY    H   H   9     8.781     8.781    8.751    0.030  17731
         119   1    3   .   1   1   10   10   HIS   HA   H  10     4.545     4.545    4.773   -0.228  17731
         120   1    3   .   1   1   10   10   HIS    H   H  10     8.076     8.076    7.979    0.097  17731
         121   1    3   .   1   1   11   11   CYS   HA   H  11     4.842     4.842    4.452    0.390  17731
         122   1    3   .   1   1   11   11   CYS    H   H  11     8.854     8.854    8.962   -0.108  17731
         123   1    3   .   1   1   12   12   LYS   HA   H  12     4.340     4.340    4.066    0.274  17731
         124   1    3   .   1   1   12   12   LYS    H   H  12     7.967     7.967    8.235   -0.268  17731
         125   1    3   .   1   1   13   13   ARG   HA   H  13     4.048     4.048    4.011    0.037  17731
         126   1    3   .   1   1   13   13   ARG    H   H  13     8.470     8.470    9.046   -0.576  17731
         127   1    3   .   1   1   15   15   GLY    H   H  15     8.385     8.385    8.079    0.306  17731
         128   1    3   .   1   1   16   16   ARG   HA   H  16     4.701     4.701    4.524    0.177  17731
         129   1    3   .   1   1   16   16   ARG    H   H  16     8.855     8.855    8.021    0.834  17731
         130   1    3   .   1   1   17   17   VAL   HA   H  17     4.065     4.065    3.769    0.296  17731
         131   1    3   .   1   1   17   17   VAL    H   H  17     8.749     8.749    8.760   -0.011  17731
         132   1    3   .   1   1   18   18   ARG   HA   H  18     4.700     4.700    4.242    0.458  17731
         133   1    3   .   1   1   18   18   ARG    H   H  18     9.500     9.500    9.070    0.430  17731
         134   1    3   .   1   1   19   19   GLY    H   H  19     7.821     7.821    7.849   -0.028  17731
         135   1    3   .   1   1   20   20   THR   HA   H  20     5.065     5.065    4.524    0.541  17731
         136   1    3   .   1   1   20   20   THR    H   H  20     8.608     8.608    8.177    0.431  17731
         137   1    3   .   1   1   21   21   CYS   HA   H  21     4.874     4.874    4.707    0.167  17731
         138   1    3   .   1   1   21   21   CYS    H   H  21     8.159     8.159    8.800   -0.641  17731
         139   1    3   .   1   1   22   22   GLY    H   H  22     8.319     8.319    7.751    0.568  17731
         140   1    3   .   1   1   23   23   ILE   HA   H  23     4.028     4.028    4.229   -0.201  17731
         141   1    3   .   1   1   23   23   ILE    H   H  23     8.145     8.145    8.398   -0.253  17731
         142   1    3   .   1   1   24   24   ARG   HA   H  24     3.991     3.991    4.069   -0.078  17731
         143   1    3   .   1   1   24   24   ARG    H   H  24     8.457     8.457    8.853   -0.396  17731
         144   1    3   .   1   1   25   25   PHE   HA   H  25     4.904     4.904    5.220   -0.316  17731
         145   1    3   .   1   1   25   25   PHE    H   H  25     7.854     7.854    7.740    0.114  17731
         146   1    3   .   1   1   26   26   LEU   HA   H  26     4.635     4.635    4.852   -0.217  17731
         147   1    3   .   1   1   26   26   LEU    H   H  26     8.983     8.983    9.453   -0.470  17731
         148   1    3   .   1   1   27   27   TYR   HA   H  27     4.959     4.959    5.267   -0.308  17731
         149   1    3   .   1   1   27   27   TYR    H   H  27     8.222     8.222    9.103   -0.881  17731
         150   1    3   .   1   1   28   28   CYS   HA   H  28     4.979     4.979    5.043   -0.064  17731
         151   1    3   .   1   1   28   28   CYS    H   H  28     8.768     8.768    8.750    0.018  17731
         152   1    3   .   1   1   29   29   CYS   HA   H  29     5.059     5.059    4.511    0.548  17731
         153   1    3   .   1   1   29   29   CYS    H   H  29     8.878     8.878    8.955   -0.077  17731
         154   1    3   .   1   1   30   30   PRO   HA   H  30     4.716     4.716    4.481    0.235  17731
         155   1    3   .   1   1   31   31   ARG   HA   H  31     4.103     4.103    3.994    0.109  17731
         156   1    3   .   1   1   31   31   ARG    H   H  31     8.429     8.429    8.457   -0.028  17731
         157   1    4   .   1   1    2    2   LEU   HA   H   2     4.355     4.355    4.344    0.011  17731
         158   1    4   .   1   1    3    3   LEU   HA   H   3     4.406     4.406    4.310    0.096  17731
         159   1    4   .   1   1    3    3   LEU    H   H   3     8.341     8.341    8.085    0.256  17731
         160   1    4   .   1   1    4    4   CYS   HA   H   4     5.096     5.096    4.125    0.971  17731
         161   1    4   .   1   1    4    4   CYS    H   H   4     7.946     7.946    7.847    0.099  17731
         162   1    4   .   1   1    5    5   TYR   HA   H   5     4.836     4.836    4.938   -0.102  17731
         163   1    4   .   1   1    5    5   TYR    H   H   5     8.663     8.663    8.466    0.197  17731
         164   1    4   .   1   1    6    6   CYS   HA   H   6     5.781     5.781    5.485    0.296  17731
         165   1    4   .   1   1    6    6   CYS    H   H   6     8.942     8.942    9.128   -0.186  17731
         166   1    4   .   1   1    7    7   ARG   HA   H   7     4.738     4.738    4.775   -0.037  17731
         167   1    4   .   1   1    7    7   ARG    H   H   7     9.828     9.828    9.443    0.385  17731
         168   1    4   .   1   1    8    8   LYS   HA   H   8     3.882     3.882    3.783    0.099  17731
         169   1    4   .   1   1    8    8   LYS    H   H   8     8.639     8.639    8.682   -0.043  17731
         170   1    4   .   1   1    9    9   GLY    H   H   9     8.781     8.781    7.794    0.987  17731
         171   1    4   .   1   1   10   10   HIS   HA   H  10     4.545     4.545    4.678   -0.133  17731
         172   1    4   .   1   1   10   10   HIS    H   H  10     8.076     8.076    8.736   -0.660  17731
         173   1    4   .   1   1   11   11   CYS   HA   H  11     4.842     4.842    4.336    0.506  17731
         174   1    4   .   1   1   11   11   CYS    H   H  11     8.854     8.854    8.259    0.595  17731
         175   1    4   .   1   1   12   12   LYS   HA   H  12     4.340     4.340    4.419   -0.079  17731
         176   1    4   .   1   1   12   12   LYS    H   H  12     7.967     7.967    8.471   -0.504  17731
         177   1    4   .   1   1   13   13   ARG   HA   H  13     4.048     4.048    3.792    0.256  17731
         178   1    4   .   1   1   13   13   ARG    H   H  13     8.470     8.470    8.332    0.138  17731
         179   1    4   .   1   1   15   15   GLY    H   H  15     8.385     8.385    7.893    0.492  17731
         180   1    4   .   1   1   16   16   ARG   HA   H  16     4.701     4.701    4.666    0.035  17731
         181   1    4   .   1   1   16   16   ARG    H   H  16     8.855     8.855    8.569    0.286  17731
         182   1    4   .   1   1   17   17   VAL   HA   H  17     4.065     4.065    3.943    0.122  17731
         183   1    4   .   1   1   17   17   VAL    H   H  17     8.749     8.749    8.696    0.053  17731
         184   1    4   .   1   1   18   18   ARG   HA   H  18     4.700     4.700    4.368    0.332  17731
         185   1    4   .   1   1   18   18   ARG    H   H  18     9.500     9.500    9.162    0.338  17731
         186   1    4   .   1   1   19   19   GLY    H   H  19     7.821     7.821    7.913   -0.092  17731
         187   1    4   .   1   1   20   20   THR   HA   H  20     5.065     5.065    4.697    0.368  17731
         188   1    4   .   1   1   20   20   THR    H   H  20     8.608     8.608    8.248    0.360  17731
         189   1    4   .   1   1   21   21   CYS   HA   H  21     4.874     4.874    4.577    0.297  17731
         190   1    4   .   1   1   21   21   CYS    H   H  21     8.159     8.159    8.716   -0.557  17731
         191   1    4   .   1   1   22   22   GLY    H   H  22     8.319     8.319    7.610    0.709  17731
         192   1    4   .   1   1   23   23   ILE   HA   H  23     4.028     4.028    4.337   -0.309  17731
         193   1    4   .   1   1   23   23   ILE    H   H  23     8.145     8.145    8.263   -0.118  17731
         194   1    4   .   1   1   24   24   ARG   HA   H  24     3.991     3.991    4.010   -0.019  17731
         195   1    4   .   1   1   24   24   ARG    H   H  24     8.457     8.457    8.944   -0.487  17731
         196   1    4   .   1   1   25   25   PHE   HA   H  25     4.904     4.904    4.765    0.139  17731
         197   1    4   .   1   1   25   25   PHE    H   H  25     7.854     7.854    7.721    0.133  17731
         198   1    4   .   1   1   26   26   LEU   HA   H  26     4.635     4.635    4.790   -0.155  17731
         199   1    4   .   1   1   26   26   LEU    H   H  26     8.983     8.983    9.250   -0.267  17731
         200   1    4   .   1   1   27   27   TYR   HA   H  27     4.959     4.959    5.188   -0.229  17731
         201   1    4   .   1   1   27   27   TYR    H   H  27     8.222     8.222    8.990   -0.768  17731
         202   1    4   .   1   1   28   28   CYS   HA   H  28     4.979     4.979    5.019   -0.040  17731
         203   1    4   .   1   1   28   28   CYS    H   H  28     8.768     8.768    8.705    0.063  17731
         204   1    4   .   1   1   29   29   CYS   HA   H  29     5.059     5.059    4.517    0.542  17731
         205   1    4   .   1   1   29   29   CYS    H   H  29     8.878     8.878    8.954   -0.076  17731
         206   1    4   .   1   1   30   30   PRO   HA   H  30     4.716     4.716    4.452    0.264  17731
         207   1    4   .   1   1   31   31   ARG   HA   H  31     4.103     4.103    4.414   -0.311  17731
         208   1    4   .   1   1   31   31   ARG    H   H  31     8.429     8.429    7.748    0.681  17731
         209   1    5   .   1   1    2    2   LEU   HA   H   2     4.355     4.355    4.611   -0.256  17731
         210   1    5   .   1   1    3    3   LEU   HA   H   3     4.406     4.406    4.446   -0.040  17731
         211   1    5   .   1   1    3    3   LEU    H   H   3     8.341     8.341    8.048    0.293  17731
         212   1    5   .   1   1    4    4   CYS   HA   H   4     5.096     5.096    4.091    1.005  17731
         213   1    5   .   1   1    4    4   CYS    H   H   4     7.946     7.946    8.701   -0.755  17731
         214   1    5   .   1   1    5    5   TYR   HA   H   5     4.836     4.836    4.952   -0.116  17731
         215   1    5   .   1   1    5    5   TYR    H   H   5     8.663     8.663    8.468    0.195  17731
         216   1    5   .   1   1    6    6   CYS   HA   H   6     5.781     5.781    5.194    0.587  17731
         217   1    5   .   1   1    6    6   CYS    H   H   6     8.942     8.942    9.149   -0.207  17731
         218   1    5   .   1   1    7    7   ARG   HA   H   7     4.738     4.738    4.796   -0.058  17731
         219   1    5   .   1   1    7    7   ARG    H   H   7     9.828     9.828    9.412    0.416  17731
         220   1    5   .   1   1    8    8   LYS   HA   H   8     3.882     3.882    3.671    0.211  17731
         221   1    5   .   1   1    8    8   LYS    H   H   8     8.639     8.639    8.717   -0.078  17731
         222   1    5   .   1   1    9    9   GLY    H   H   9     8.781     8.781    7.580    1.201  17731
         223   1    5   .   1   1   10   10   HIS   HA   H  10     4.545     4.545    4.666   -0.121  17731
         224   1    5   .   1   1   10   10   HIS    H   H  10     8.076     8.076    8.792   -0.716  17731
         225   1    5   .   1   1   11   11   CYS   HA   H  11     4.842     4.842    4.209    0.633  17731
         226   1    5   .   1   1   11   11   CYS    H   H  11     8.854     8.854    8.876   -0.022  17731
         227   1    5   .   1   1   12   12   LYS   HA   H  12     4.340     4.340    4.158    0.182  17731
         228   1    5   .   1   1   12   12   LYS    H   H  12     7.967     7.967    8.764   -0.797  17731
         229   1    5   .   1   1   13   13   ARG   HA   H  13     4.048     4.048    3.518    0.530  17731
         230   1    5   .   1   1   13   13   ARG    H   H  13     8.470     8.470    8.271    0.199  17731
         231   1    5   .   1   1   15   15   GLY    H   H  15     8.385     8.385    8.098    0.287  17731
         232   1    5   .   1   1   16   16   ARG   HA   H  16     4.701     4.701    4.543    0.158  17731
         233   1    5   .   1   1   16   16   ARG    H   H  16     8.855     8.855    8.046    0.809  17731
         234   1    5   .   1   1   17   17   VAL   HA   H  17     4.065     4.065    3.986    0.079  17731
         235   1    5   .   1   1   17   17   VAL    H   H  17     8.749     8.749    7.765    0.984  17731
         236   1    5   .   1   1   18   18   ARG   HA   H  18     4.700     4.700    4.621    0.079  17731
         237   1    5   .   1   1   18   18   ARG    H   H  18     9.500     9.500    9.105    0.395  17731
         238   1    5   .   1   1   19   19   GLY    H   H  19     7.821     7.821    7.710    0.111  17731
         239   1    5   .   1   1   20   20   THR   HA   H  20     5.065     5.065    4.592    0.473  17731
         240   1    5   .   1   1   20   20   THR    H   H  20     8.608     8.608    8.206    0.402  17731
         241   1    5   .   1   1   21   21   CYS   HA   H  21     4.874     4.874    4.658    0.216  17731
         242   1    5   .   1   1   21   21   CYS    H   H  21     8.159     8.159    8.820   -0.661  17731
         243   1    5   .   1   1   22   22   GLY    H   H  22     8.319     8.319    7.778    0.541  17731
         244   1    5   .   1   1   23   23   ILE   HA   H  23     4.028     4.028    4.205   -0.177  17731
         245   1    5   .   1   1   23   23   ILE    H   H  23     8.145     8.145    8.349   -0.204  17731
         246   1    5   .   1   1   24   24   ARG   HA   H  24     3.991     3.991    4.061   -0.070  17731
         247   1    5   .   1   1   24   24   ARG    H   H  24     8.457     8.457    8.818   -0.361  17731
         248   1    5   .   1   1   25   25   PHE   HA   H  25     4.904     4.904    4.865    0.039  17731
         249   1    5   .   1   1   25   25   PHE    H   H  25     7.854     7.854    7.714    0.140  17731
         250   1    5   .   1   1   26   26   LEU   HA   H  26     4.635     4.635    4.750   -0.115  17731
         251   1    5   .   1   1   26   26   LEU    H   H  26     8.983     8.983    9.429   -0.446  17731
         252   1    5   .   1   1   27   27   TYR   HA   H  27     4.959     4.959    4.862    0.097  17731
         253   1    5   .   1   1   27   27   TYR    H   H  27     8.222     8.222    9.208   -0.986  17731
         254   1    5   .   1   1   28   28   CYS   HA   H  28     4.979     4.979    4.886    0.093  17731
         255   1    5   .   1   1   28   28   CYS    H   H  28     8.768     8.768    8.591    0.177  17731
         256   1    5   .   1   1   29   29   CYS   HA   H  29     5.059     5.059    4.375    0.684  17731
         257   1    5   .   1   1   29   29   CYS    H   H  29     8.878     8.878    8.413    0.465  17731
         258   1    5   .   1   1   30   30   PRO   HA   H  30     4.716     4.716    4.338    0.378  17731
         259   1    5   .   1   1   31   31   ARG   HA   H  31     4.103     4.103    4.313   -0.210  17731
         260   1    5   .   1   1   31   31   ARG    H   H  31     8.429     8.429    8.348    0.081  17731
         261   1    6   .   1   1    2    2   LEU   HA   H   2     4.355     4.355    4.336    0.019  17731
         262   1    6   .   1   1    3    3   LEU   HA   H   3     4.406     4.406    4.228    0.178  17731
         263   1    6   .   1   1    3    3   LEU    H   H   3     8.341     8.341    7.723    0.618  17731
         264   1    6   .   1   1    4    4   CYS   HA   H   4     5.096     5.096    4.056    1.040  17731
         265   1    6   .   1   1    4    4   CYS    H   H   4     7.946     7.946    8.577   -0.631  17731
         266   1    6   .   1   1    5    5   TYR   HA   H   5     4.836     4.836    5.053   -0.217  17731
         267   1    6   .   1   1    5    5   TYR    H   H   5     8.663     8.663    8.746   -0.083  17731
         268   1    6   .   1   1    6    6   CYS   HA   H   6     5.781     5.781    5.040    0.741  17731
         269   1    6   .   1   1    6    6   CYS    H   H   6     8.942     8.942    9.139   -0.197  17731
         270   1    6   .   1   1    7    7   ARG   HA   H   7     4.738     4.738    4.698    0.040  17731
         271   1    6   .   1   1    7    7   ARG    H   H   7     9.828     9.828    9.283    0.545  17731
         272   1    6   .   1   1    8    8   LYS   HA   H   8     3.882     3.882    3.203    0.679  17731
         273   1    6   .   1   1    8    8   LYS    H   H   8     8.639     8.639    8.660   -0.021  17731
         274   1    6   .   1   1    9    9   GLY    H   H   9     8.781     8.781    8.142    0.639  17731
         275   1    6   .   1   1   10   10   HIS   HA   H  10     4.545     4.545    4.512    0.033  17731
         276   1    6   .   1   1   10   10   HIS    H   H  10     8.076     8.076    8.162   -0.086  17731
         277   1    6   .   1   1   11   11   CYS   HA   H  11     4.842     4.842    4.310    0.532  17731
         278   1    6   .   1   1   11   11   CYS    H   H  11     8.854     8.854    8.705    0.149  17731
         279   1    6   .   1   1   12   12   LYS   HA   H  12     4.340     4.340    4.507   -0.167  17731
         280   1    6   .   1   1   12   12   LYS    H   H  12     7.967     7.967    8.532   -0.565  17731
         281   1    6   .   1   1   13   13   ARG   HA   H  13     4.048     4.048    3.960    0.088  17731
         282   1    6   .   1   1   13   13   ARG    H   H  13     8.470     8.470    9.268   -0.798  17731
         283   1    6   .   1   1   15   15   GLY    H   H  15     8.385     8.385    8.284    0.101  17731
         284   1    6   .   1   1   16   16   ARG   HA   H  16     4.701     4.701    4.529    0.172  17731
         285   1    6   .   1   1   16   16   ARG    H   H  16     8.855     8.855    7.985    0.870  17731
         286   1    6   .   1   1   17   17   VAL   HA   H  17     4.065     4.065    4.031    0.034  17731
         287   1    6   .   1   1   17   17   VAL    H   H  17     8.749     8.749    8.566    0.183  17731
         288   1    6   .   1   1   18   18   ARG   HA   H  18     4.700     4.700    4.425    0.275  17731
         289   1    6   .   1   1   18   18   ARG    H   H  18     9.500     9.500    9.233    0.267  17731
         290   1    6   .   1   1   19   19   GLY    H   H  19     7.821     7.821    7.981   -0.160  17731
         291   1    6   .   1   1   20   20   THR   HA   H  20     5.065     5.065    4.504    0.561  17731
         292   1    6   .   1   1   20   20   THR    H   H  20     8.608     8.608    8.130    0.478  17731
         293   1    6   .   1   1   21   21   CYS   HA   H  21     4.874     4.874    4.780    0.094  17731
         294   1    6   .   1   1   21   21   CYS    H   H  21     8.159     8.159    8.718   -0.559  17731
         295   1    6   .   1   1   22   22   GLY    H   H  22     8.319     8.319    7.919    0.400  17731
         296   1    6   .   1   1   23   23   ILE   HA   H  23     4.028     4.028    4.439   -0.411  17731
         297   1    6   .   1   1   23   23   ILE    H   H  23     8.145     8.145    8.313   -0.168  17731
         298   1    6   .   1   1   24   24   ARG   HA   H  24     3.991     3.991    4.067   -0.076  17731
         299   1    6   .   1   1   24   24   ARG    H   H  24     8.457     8.457    9.035   -0.578  17731
         300   1    6   .   1   1   25   25   PHE   HA   H  25     4.904     4.904    5.153   -0.249  17731
         301   1    6   .   1   1   25   25   PHE    H   H  25     7.854     7.854    7.635    0.219  17731
         302   1    6   .   1   1   26   26   LEU   HA   H  26     4.635     4.635    4.908   -0.273  17731
         303   1    6   .   1   1   26   26   LEU    H   H  26     8.983     8.983    9.450   -0.467  17731
         304   1    6   .   1   1   27   27   TYR   HA   H  27     4.959     4.959    4.796    0.163  17731
         305   1    6   .   1   1   27   27   TYR    H   H  27     8.222     8.222    8.899   -0.677  17731
         306   1    6   .   1   1   28   28   CYS   HA   H  28     4.979     4.979    4.796    0.183  17731
         307   1    6   .   1   1   28   28   CYS    H   H  28     8.768     8.768    8.767    0.001  17731
         308   1    6   .   1   1   29   29   CYS   HA   H  29     5.059     5.059    4.511    0.548  17731
         309   1    6   .   1   1   29   29   CYS    H   H  29     8.878     8.878    8.406    0.472  17731
         310   1    6   .   1   1   30   30   PRO   HA   H  30     4.716     4.716    4.406    0.310  17731
         311   1    6   .   1   1   31   31   ARG   HA   H  31     4.103     4.103    4.354   -0.251  17731
         312   1    6   .   1   1   31   31   ARG    H   H  31     8.429     8.429    7.976    0.453  17731
         313   1    7   .   1   1    2    2   LEU   HA   H   2     4.355     4.355    4.546   -0.191  17731
         314   1    7   .   1   1    3    3   LEU   HA   H   3     4.406     4.406    4.490   -0.084  17731
         315   1    7   .   1   1    3    3   LEU    H   H   3     8.341     8.341    8.135    0.206  17731
         316   1    7   .   1   1    4    4   CYS   HA   H   4     5.096     5.096    4.144    0.952  17731
         317   1    7   .   1   1    4    4   CYS    H   H   4     7.946     7.946    7.629    0.317  17731
         318   1    7   .   1   1    5    5   TYR   HA   H   5     4.836     4.836    5.068   -0.232  17731
         319   1    7   .   1   1    5    5   TYR    H   H   5     8.663     8.663    8.691   -0.028  17731
         320   1    7   .   1   1    6    6   CYS   HA   H   6     5.781     5.781    5.631    0.150  17731
         321   1    7   .   1   1    6    6   CYS    H   H   6     8.942     8.942    9.046   -0.104  17731
         322   1    7   .   1   1    7    7   ARG   HA   H   7     4.738     4.738    4.710    0.028  17731
         323   1    7   .   1   1    7    7   ARG    H   H   7     9.828     9.828    9.126    0.702  17731
         324   1    7   .   1   1    8    8   LYS   HA   H   8     3.882     3.882    3.748    0.134  17731
         325   1    7   .   1   1    8    8   LYS    H   H   8     8.639     8.639    8.581    0.058  17731
         326   1    7   .   1   1    9    9   GLY    H   H   9     8.781     8.781    8.118    0.663  17731
         327   1    7   .   1   1   10   10   HIS   HA   H  10     4.545     4.545    4.578   -0.033  17731
         328   1    7   .   1   1   10   10   HIS    H   H  10     8.076     8.076    7.936    0.140  17731
         329   1    7   .   1   1   11   11   CYS   HA   H  11     4.842     4.842    4.436    0.406  17731
         330   1    7   .   1   1   11   11   CYS    H   H  11     8.854     8.854    8.003    0.851  17731
         331   1    7   .   1   1   12   12   LYS   HA   H  12     4.340     4.340    4.555   -0.215  17731
         332   1    7   .   1   1   12   12   LYS    H   H  12     7.967     7.967    8.662   -0.695  17731
         333   1    7   .   1   1   13   13   ARG   HA   H  13     4.048     4.048    3.992    0.056  17731
         334   1    7   .   1   1   13   13   ARG    H   H  13     8.470     8.470    8.957   -0.487  17731
         335   1    7   .   1   1   15   15   GLY    H   H  15     8.385     8.385    7.590    0.795  17731
         336   1    7   .   1   1   16   16   ARG   HA   H  16     4.701     4.701    4.753   -0.052  17731
         337   1    7   .   1   1   16   16   ARG    H   H  16     8.855     8.855    8.749    0.106  17731
         338   1    7   .   1   1   17   17   VAL   HA   H  17     4.065     4.065    4.137   -0.072  17731
         339   1    7   .   1   1   17   17   VAL    H   H  17     8.749     8.749    8.665    0.084  17731
         340   1    7   .   1   1   18   18   ARG   HA   H  18     4.700     4.700    4.716   -0.016  17731
         341   1    7   .   1   1   18   18   ARG    H   H  18     9.500     9.500    9.028    0.472  17731
         342   1    7   .   1   1   19   19   GLY    H   H  19     7.821     7.821    7.945   -0.124  17731
         343   1    7   .   1   1   20   20   THR   HA   H  20     5.065     5.065    4.981    0.084  17731
         344   1    7   .   1   1   20   20   THR    H   H  20     8.608     8.608    8.178    0.430  17731
         345   1    7   .   1   1   21   21   CYS   HA   H  21     4.874     4.874    4.563    0.311  17731
         346   1    7   .   1   1   21   21   CYS    H   H  21     8.159     8.159    8.675   -0.516  17731
         347   1    7   .   1   1   22   22   GLY    H   H  22     8.319     8.319    7.318    1.001  17731
         348   1    7   .   1   1   23   23   ILE   HA   H  23     4.028     4.028    4.255   -0.227  17731
         349   1    7   .   1   1   23   23   ILE    H   H  23     8.145     8.145    8.324   -0.179  17731
         350   1    7   .   1   1   24   24   ARG   HA   H  24     3.991     3.991    4.015   -0.024  17731
         351   1    7   .   1   1   24   24   ARG    H   H  24     8.457     8.457    9.130   -0.673  17731
         352   1    7   .   1   1   25   25   PHE   HA   H  25     4.904     4.904    4.754    0.150  17731
         353   1    7   .   1   1   25   25   PHE    H   H  25     7.854     7.854    7.712    0.142  17731
         354   1    7   .   1   1   26   26   LEU   HA   H  26     4.635     4.635    4.622    0.013  17731
         355   1    7   .   1   1   26   26   LEU    H   H  26     8.983     8.983    8.991   -0.008  17731
         356   1    7   .   1   1   27   27   TYR   HA   H  27     4.959     4.959    4.924    0.035  17731
         357   1    7   .   1   1   27   27   TYR    H   H  27     8.222     8.222    9.036   -0.814  17731
         358   1    7   .   1   1   28   28   CYS   HA   H  28     4.979     4.979    5.053   -0.074  17731
         359   1    7   .   1   1   28   28   CYS    H   H  28     8.768     8.768    8.450    0.318  17731
         360   1    7   .   1   1   29   29   CYS   HA   H  29     5.059     5.059    4.435    0.624  17731
         361   1    7   .   1   1   29   29   CYS    H   H  29     8.878     8.878    9.012   -0.134  17731
         362   1    7   .   1   1   30   30   PRO   HA   H  30     4.716     4.716    4.274    0.442  17731
         363   1    7   .   1   1   31   31   ARG   HA   H  31     4.103     4.103    4.459   -0.356  17731
         364   1    7   .   1   1   31   31   ARG    H   H  31     8.429     8.429    8.051    0.378  17731
         365   1    8   .   1   1    2    2   LEU   HA   H   2     4.355     4.355    4.736   -0.381  17731
         366   1    8   .   1   1    3    3   LEU   HA   H   3     4.406     4.406    4.403    0.003  17731
         367   1    8   .   1   1    3    3   LEU    H   H   3     8.341     8.341    8.047    0.294  17731
         368   1    8   .   1   1    4    4   CYS   HA   H   4     5.096     5.096    4.250    0.846  17731
         369   1    8   .   1   1    4    4   CYS    H   H   4     7.946     7.946    8.692   -0.746  17731
         370   1    8   .   1   1    5    5   TYR   HA   H   5     4.836     4.836    5.158   -0.322  17731
         371   1    8   .   1   1    5    5   TYR    H   H   5     8.663     8.663    8.473    0.190  17731
         372   1    8   .   1   1    6    6   CYS   HA   H   6     5.781     5.781    5.682    0.099  17731
         373   1    8   .   1   1    6    6   CYS    H   H   6     8.942     8.942    9.115   -0.173  17731
         374   1    8   .   1   1    7    7   ARG   HA   H   7     4.738     4.738    4.876   -0.138  17731
         375   1    8   .   1   1    7    7   ARG    H   H   7     9.828     9.828    9.228    0.600  17731
         376   1    8   .   1   1    8    8   LYS   HA   H   8     3.882     3.882    3.746    0.136  17731
         377   1    8   .   1   1    8    8   LYS    H   H   8     8.639     8.639    8.332    0.307  17731
         378   1    8   .   1   1    9    9   GLY    H   H   9     8.781     8.781    7.481    1.300  17731
         379   1    8   .   1   1   10   10   HIS   HA   H  10     4.545     4.545    4.466    0.079  17731
         380   1    8   .   1   1   10   10   HIS    H   H  10     8.076     8.076    8.691   -0.615  17731
         381   1    8   .   1   1   11   11   CYS   HA   H  11     4.842     4.842    4.211    0.631  17731
         382   1    8   .   1   1   11   11   CYS    H   H  11     8.854     8.854    8.273    0.581  17731
         383   1    8   .   1   1   12   12   LYS   HA   H  12     4.340     4.340    4.469   -0.129  17731
         384   1    8   .   1   1   12   12   LYS    H   H  12     7.967     7.967    8.542   -0.575  17731
         385   1    8   .   1   1   13   13   ARG   HA   H  13     4.048     4.048    3.942    0.106  17731
         386   1    8   .   1   1   13   13   ARG    H   H  13     8.470     8.470    8.920   -0.450  17731
         387   1    8   .   1   1   15   15   GLY    H   H  15     8.385     8.385    8.203    0.182  17731
         388   1    8   .   1   1   16   16   ARG   HA   H  16     4.701     4.701    4.530    0.171  17731
         389   1    8   .   1   1   16   16   ARG    H   H  16     8.855     8.855    7.992    0.863  17731
         390   1    8   .   1   1   17   17   VAL   HA   H  17     4.065     4.065    4.015    0.050  17731
         391   1    8   .   1   1   17   17   VAL    H   H  17     8.749     8.749    7.983    0.766  17731
         392   1    8   .   1   1   18   18   ARG   HA   H  18     4.700     4.700    4.621    0.079  17731
         393   1    8   .   1   1   18   18   ARG    H   H  18     9.500     9.500    9.222    0.278  17731
         394   1    8   .   1   1   19   19   GLY    H   H  19     7.821     7.821    7.870   -0.049  17731
         395   1    8   .   1   1   20   20   THR   HA   H  20     5.065     5.065    5.147   -0.082  17731
         396   1    8   .   1   1   20   20   THR    H   H  20     8.608     8.608    8.144    0.464  17731
         397   1    8   .   1   1   21   21   CYS   HA   H  21     4.874     4.874    4.620    0.254  17731
         398   1    8   .   1   1   21   21   CYS    H   H  21     8.159     8.159    9.039   -0.880  17731
         399   1    8   .   1   1   22   22   GLY    H   H  22     8.319     8.319    7.953    0.366  17731
         400   1    8   .   1   1   23   23   ILE   HA   H  23     4.028     4.028    4.456   -0.428  17731
         401   1    8   .   1   1   23   23   ILE    H   H  23     8.145     8.145    7.976    0.169  17731
         402   1    8   .   1   1   24   24   ARG   HA   H  24     3.991     3.991    4.450   -0.459  17731
         403   1    8   .   1   1   24   24   ARG    H   H  24     8.457     8.457    8.759   -0.302  17731
         404   1    8   .   1   1   25   25   PHE   HA   H  25     4.904     4.904    4.712    0.192  17731
         405   1    8   .   1   1   25   25   PHE    H   H  25     7.854     7.854    8.501   -0.647  17731
         406   1    8   .   1   1   26   26   LEU   HA   H  26     4.635     4.635    4.734   -0.099  17731
         407   1    8   .   1   1   26   26   LEU    H   H  26     8.983     8.983    9.216   -0.233  17731
         408   1    8   .   1   1   27   27   TYR   HA   H  27     4.959     4.959    4.858    0.101  17731
         409   1    8   .   1   1   27   27   TYR    H   H  27     8.222     8.222    9.067   -0.845  17731
         410   1    8   .   1   1   28   28   CYS   HA   H  28     4.979     4.979    5.171   -0.192  17731
         411   1    8   .   1   1   28   28   CYS    H   H  28     8.768     8.768    8.722    0.046  17731
         412   1    8   .   1   1   29   29   CYS   HA   H  29     5.059     5.059    4.466    0.593  17731
         413   1    8   .   1   1   29   29   CYS    H   H  29     8.878     8.878    8.393    0.485  17731
         414   1    8   .   1   1   30   30   PRO   HA   H  30     4.716     4.716    4.383    0.333  17731
         415   1    8   .   1   1   31   31   ARG   HA   H  31     4.103     4.103    4.408   -0.305  17731
         416   1    8   .   1   1   31   31   ARG    H   H  31     8.429     8.429    7.725    0.704  17731
         417   1    9   .   1   1    2    2   LEU   HA   H   2     4.355     4.355    4.377   -0.022  17731
         418   1    9   .   1   1    3    3   LEU   HA   H   3     4.406     4.406    4.364    0.042  17731
         419   1    9   .   1   1    3    3   LEU    H   H   3     8.341     8.341    7.664    0.677  17731
         420   1    9   .   1   1    4    4   CYS   HA   H   4     5.096     5.096    4.163    0.933  17731
         421   1    9   .   1   1    4    4   CYS    H   H   4     7.946     7.946    8.739   -0.793  17731
         422   1    9   .   1   1    5    5   TYR   HA   H   5     4.836     4.836    5.130   -0.294  17731
         423   1    9   .   1   1    5    5   TYR    H   H   5     8.663     8.663    8.621    0.042  17731
         424   1    9   .   1   1    6    6   CYS   HA   H   6     5.781     5.781    5.728    0.053  17731
         425   1    9   .   1   1    6    6   CYS    H   H   6     8.942     8.942    9.038   -0.096  17731
         426   1    9   .   1   1    7    7   ARG   HA   H   7     4.738     4.738    4.724    0.014  17731
         427   1    9   .   1   1    7    7   ARG    H   H   7     9.828     9.828    9.252    0.576  17731
         428   1    9   .   1   1    8    8   LYS   HA   H   8     3.882     3.882    3.295    0.587  17731
         429   1    9   .   1   1    8    8   LYS    H   H   8     8.639     8.639    8.513    0.126  17731
         430   1    9   .   1   1    9    9   GLY    H   H   9     8.781     8.781    7.755    1.026  17731
         431   1    9   .   1   1   10   10   HIS   HA   H  10     4.545     4.545    4.451    0.094  17731
         432   1    9   .   1   1   10   10   HIS    H   H  10     8.076     8.076    8.671   -0.595  17731
         433   1    9   .   1   1   11   11   CYS   HA   H  11     4.842     4.842    4.234    0.608  17731
         434   1    9   .   1   1   11   11   CYS    H   H  11     8.854     8.854    8.318    0.536  17731
         435   1    9   .   1   1   12   12   LYS   HA   H  12     4.340     4.340    4.500   -0.160  17731
         436   1    9   .   1   1   12   12   LYS    H   H  12     7.967     7.967    8.753   -0.786  17731
         437   1    9   .   1   1   13   13   ARG   HA   H  13     4.048     4.048    4.002    0.046  17731
         438   1    9   .   1   1   13   13   ARG    H   H  13     8.470     8.470    9.048   -0.578  17731
         439   1    9   .   1   1   15   15   GLY    H   H  15     8.385     8.385    7.752    0.633  17731
         440   1    9   .   1   1   16   16   ARG   HA   H  16     4.701     4.701    4.642    0.059  17731
         441   1    9   .   1   1   16   16   ARG    H   H  16     8.855     8.855    7.988    0.867  17731
         442   1    9   .   1   1   17   17   VAL   HA   H  17     4.065     4.065    4.277   -0.212  17731
         443   1    9   .   1   1   17   17   VAL    H   H  17     8.749     8.749    8.284    0.465  17731
         444   1    9   .   1   1   18   18   ARG   HA   H  18     4.700     4.700    4.799   -0.099  17731
         445   1    9   .   1   1   18   18   ARG    H   H  18     9.500     9.500    8.864    0.636  17731
         446   1    9   .   1   1   19   19   GLY    H   H  19     7.821     7.821    7.811    0.010  17731
         447   1    9   .   1   1   20   20   THR   HA   H  20     5.065     5.065    4.826    0.239  17731
         448   1    9   .   1   1   20   20   THR    H   H  20     8.608     8.608    8.198    0.410  17731
         449   1    9   .   1   1   21   21   CYS   HA   H  21     4.874     4.874    4.869    0.005  17731
         450   1    9   .   1   1   21   21   CYS    H   H  21     8.159     8.159    8.745   -0.586  17731
         451   1    9   .   1   1   22   22   GLY    H   H  22     8.319     8.319    7.820    0.499  17731
         452   1    9   .   1   1   23   23   ILE   HA   H  23     4.028     4.028    4.212   -0.184  17731
         453   1    9   .   1   1   23   23   ILE    H   H  23     8.145     8.145    8.380   -0.235  17731
         454   1    9   .   1   1   24   24   ARG   HA   H  24     3.991     3.991    4.074   -0.083  17731
         455   1    9   .   1   1   24   24   ARG    H   H  24     8.457     8.457    9.084   -0.627  17731
         456   1    9   .   1   1   25   25   PHE   HA   H  25     4.904     4.904    5.089   -0.185  17731
         457   1    9   .   1   1   25   25   PHE    H   H  25     7.854     7.854    7.697    0.157  17731
         458   1    9   .   1   1   26   26   LEU   HA   H  26     4.635     4.635    4.838   -0.203  17731
         459   1    9   .   1   1   26   26   LEU    H   H  26     8.983     8.983    9.344   -0.361  17731
         460   1    9   .   1   1   27   27   TYR   HA   H  27     4.959     4.959    4.933    0.026  17731
         461   1    9   .   1   1   27   27   TYR    H   H  27     8.222     8.222    8.726   -0.504  17731
         462   1    9   .   1   1   28   28   CYS   HA   H  28     4.979     4.979    4.922    0.057  17731
         463   1    9   .   1   1   28   28   CYS    H   H  28     8.768     8.768    8.675    0.093  17731
         464   1    9   .   1   1   29   29   CYS   HA   H  29     5.059     5.059    4.383    0.676  17731
         465   1    9   .   1   1   29   29   CYS    H   H  29     8.878     8.878    8.780    0.098  17731
         466   1    9   .   1   1   30   30   PRO   HA   H  30     4.716     4.716    4.324    0.392  17731
         467   1    9   .   1   1   31   31   ARG   HA   H  31     4.103     4.103    4.112   -0.009  17731
         468   1    9   .   1   1   31   31   ARG    H   H  31     8.429     8.429    8.467   -0.038  17731
         469   1   10   .   1   1    2    2   LEU   HA   H   2     4.355     4.355    4.390   -0.035  17731
         470   1   10   .   1   1    3    3   LEU   HA   H   3     4.406     4.406    4.100    0.306  17731
         471   1   10   .   1   1    3    3   LEU    H   H   3     8.341     8.341    7.642    0.699  17731
         472   1   10   .   1   1    4    4   CYS   HA   H   4     5.096     5.096    4.004    1.092  17731
         473   1   10   .   1   1    4    4   CYS    H   H   4     7.946     7.946    8.357   -0.411  17731
         474   1   10   .   1   1    5    5   TYR   HA   H   5     4.836     4.836    5.036   -0.200  17731
         475   1   10   .   1   1    5    5   TYR    H   H   5     8.663     8.663    8.821   -0.158  17731
         476   1   10   .   1   1    6    6   CYS   HA   H   6     5.781     5.781    5.163    0.618  17731
         477   1   10   .   1   1    6    6   CYS    H   H   6     8.942     8.942    9.145   -0.203  17731
         478   1   10   .   1   1    7    7   ARG   HA   H   7     4.738     4.738    4.643    0.095  17731
         479   1   10   .   1   1    7    7   ARG    H   H   7     9.828     9.828    9.353    0.475  17731
         480   1   10   .   1   1    8    8   LYS   HA   H   8     3.882     3.882    3.726    0.156  17731
         481   1   10   .   1   1    8    8   LYS    H   H   8     8.639     8.639    8.721   -0.082  17731
         482   1   10   .   1   1    9    9   GLY    H   H   9     8.781     8.781    7.771    1.010  17731
         483   1   10   .   1   1   10   10   HIS   HA   H  10     4.545     4.545    4.868   -0.323  17731
         484   1   10   .   1   1   10   10   HIS    H   H  10     8.076     8.076    8.519   -0.443  17731
         485   1   10   .   1   1   11   11   CYS   HA   H  11     4.842     4.842    4.176    0.666  17731
         486   1   10   .   1   1   11   11   CYS    H   H  11     8.854     8.854    8.521    0.333  17731
         487   1   10   .   1   1   12   12   LYS   HA   H  12     4.340     4.340    4.513   -0.173  17731
         488   1   10   .   1   1   12   12   LYS    H   H  12     7.967     7.967    8.641   -0.674  17731
         489   1   10   .   1   1   13   13   ARG   HA   H  13     4.048     4.048    4.066   -0.018  17731
         490   1   10   .   1   1   13   13   ARG    H   H  13     8.470     8.470    8.979   -0.509  17731
         491   1   10   .   1   1   15   15   GLY    H   H  15     8.385     8.385    8.706   -0.321  17731
         492   1   10   .   1   1   16   16   ARG   HA   H  16     4.701     4.701    4.403    0.298  17731
         493   1   10   .   1   1   16   16   ARG    H   H  16     8.855     8.855    8.370    0.485  17731
         494   1   10   .   1   1   17   17   VAL   HA   H  17     4.065     4.065    3.935    0.130  17731
         495   1   10   .   1   1   17   17   VAL    H   H  17     8.749     8.749    7.774    0.975  17731
         496   1   10   .   1   1   18   18   ARG   HA   H  18     4.700     4.700    4.462    0.238  17731
         497   1   10   .   1   1   18   18   ARG    H   H  18     9.500     9.500    9.213    0.287  17731
         498   1   10   .   1   1   19   19   GLY    H   H  19     7.821     7.821    7.839   -0.018  17731
         499   1   10   .   1   1   20   20   THR   HA   H  20     5.065     5.065    4.448    0.617  17731
         500   1   10   .   1   1   20   20   THR    H   H  20     8.608     8.608    8.189    0.419  17731
         501   1   10   .   1   1   21   21   CYS   HA   H  21     4.874     4.874    4.700    0.174  17731
         502   1   10   .   1   1   21   21   CYS    H   H  21     8.159     8.159    8.808   -0.649  17731
         503   1   10   .   1   1   22   22   GLY    H   H  22     8.319     8.319    7.935    0.384  17731
         504   1   10   .   1   1   23   23   ILE   HA   H  23     4.028     4.028    4.437   -0.409  17731
         505   1   10   .   1   1   23   23   ILE    H   H  23     8.145     8.145    8.305   -0.160  17731
         506   1   10   .   1   1   24   24   ARG   HA   H  24     3.991     3.991    3.876    0.115  17731
         507   1   10   .   1   1   24   24   ARG    H   H  24     8.457     8.457    8.926   -0.469  17731
         508   1   10   .   1   1   25   25   PHE   HA   H  25     4.904     4.904    4.725    0.179  17731
         509   1   10   .   1   1   25   25   PHE    H   H  25     7.854     7.854    7.691    0.163  17731
         510   1   10   .   1   1   26   26   LEU   HA   H  26     4.635     4.635    4.782   -0.147  17731
         511   1   10   .   1   1   26   26   LEU    H   H  26     8.983     8.983    9.160   -0.177  17731
         512   1   10   .   1   1   27   27   TYR   HA   H  27     4.959     4.959    4.855    0.104  17731
         513   1   10   .   1   1   27   27   TYR    H   H  27     8.222     8.222    8.959   -0.737  17731
         514   1   10   .   1   1   28   28   CYS   HA   H  28     4.979     4.979    5.094   -0.115  17731
         515   1   10   .   1   1   28   28   CYS    H   H  28     8.768     8.768    8.754    0.014  17731
         516   1   10   .   1   1   29   29   CYS   HA   H  29     5.059     5.059    4.690    0.369  17731
         517   1   10   .   1   1   29   29   CYS    H   H  29     8.878     8.878    8.473    0.405  17731
         518   1   10   .   1   1   30   30   PRO   HA   H  30     4.716     4.716    4.583    0.133  17731
         519   1   10   .   1   1   31   31   ARG   HA   H  31     4.103     4.103    4.314   -0.210  17731
         520   1   10   .   1   1   31   31   ARG    H   H  31     8.429     8.429    8.332    0.097  17731
         521   1   11   .   1   1    2    2   LEU   HA   H   2     4.355     4.355    3.883    0.472  17731
         522   1   11   .   1   1    3    3   LEU   HA   H   3     4.406     4.406    4.232    0.174  17731
         523   1   11   .   1   1    3    3   LEU    H   H   3     8.341     8.341    7.859    0.482  17731
         524   1   11   .   1   1    4    4   CYS   HA   H   4     5.096     5.096    4.621    0.475  17731
         525   1   11   .   1   1    4    4   CYS    H   H   4     7.946     7.946    8.040   -0.094  17731
         526   1   11   .   1   1    5    5   TYR   HA   H   5     4.836     4.836    4.985   -0.149  17731
         527   1   11   .   1   1    5    5   TYR    H   H   5     8.663     8.663    8.787   -0.124  17731
         528   1   11   .   1   1    6    6   CYS   HA   H   6     5.781     5.781    5.368    0.413  17731
         529   1   11   .   1   1    6    6   CYS    H   H   6     8.942     8.942    9.048   -0.106  17731
         530   1   11   .   1   1    7    7   ARG   HA   H   7     4.738     4.738    4.661    0.077  17731
         531   1   11   .   1   1    7    7   ARG    H   H   7     9.828     9.828    8.992    0.836  17731
         532   1   11   .   1   1    8    8   LYS   HA   H   8     3.882     3.882    3.914   -0.032  17731
         533   1   11   .   1   1    8    8   LYS    H   H   8     8.639     8.639    8.396    0.243  17731
         534   1   11   .   1   1    9    9   GLY    H   H   9     8.781     8.781    7.814    0.967  17731
         535   1   11   .   1   1   10   10   HIS   HA   H  10     4.545     4.545    4.458    0.087  17731
         536   1   11   .   1   1   10   10   HIS    H   H  10     8.076     8.076    8.702   -0.626  17731
         537   1   11   .   1   1   11   11   CYS   HA   H  11     4.842     4.842    4.355    0.487  17731
         538   1   11   .   1   1   11   11   CYS    H   H  11     8.854     8.854    8.902   -0.048  17731
         539   1   11   .   1   1   12   12   LYS   HA   H  12     4.340     4.340    4.111    0.229  17731
         540   1   11   .   1   1   12   12   LYS    H   H  12     7.967     7.967    8.559   -0.592  17731
         541   1   11   .   1   1   13   13   ARG   HA   H  13     4.048     4.048    4.085   -0.037  17731
         542   1   11   .   1   1   13   13   ARG    H   H  13     8.470     8.470    9.052   -0.582  17731
         543   1   11   .   1   1   15   15   GLY    H   H  15     8.385     8.385    8.309    0.076  17731
         544   1   11   .   1   1   16   16   ARG   HA   H  16     4.701     4.701    4.447    0.254  17731
         545   1   11   .   1   1   16   16   ARG    H   H  16     8.855     8.855    8.431    0.424  17731
         546   1   11   .   1   1   17   17   VAL   HA   H  17     4.065     4.065    3.793    0.272  17731
         547   1   11   .   1   1   17   17   VAL    H   H  17     8.749     8.749    7.906    0.843  17731
         548   1   11   .   1   1   18   18   ARG   HA   H  18     4.700     4.700    4.651    0.049  17731
         549   1   11   .   1   1   18   18   ARG    H   H  18     9.500     9.500    8.871    0.629  17731
         550   1   11   .   1   1   19   19   GLY    H   H  19     7.821     7.821    7.772    0.049  17731
         551   1   11   .   1   1   20   20   THR   HA   H  20     5.065     5.065    4.704    0.361  17731
         552   1   11   .   1   1   20   20   THR    H   H  20     8.608     8.608    8.239    0.369  17731
         553   1   11   .   1   1   21   21   CYS   HA   H  21     4.874     4.874    4.708    0.166  17731
         554   1   11   .   1   1   21   21   CYS    H   H  21     8.159     8.159    8.916   -0.757  17731
         555   1   11   .   1   1   22   22   GLY    H   H  22     8.319     8.319    7.904    0.415  17731
         556   1   11   .   1   1   23   23   ILE   HA   H  23     4.028     4.028    4.256   -0.228  17731
         557   1   11   .   1   1   23   23   ILE    H   H  23     8.145     8.145    8.316   -0.171  17731
         558   1   11   .   1   1   24   24   ARG   HA   H  24     3.991     3.991    4.021   -0.030  17731
         559   1   11   .   1   1   24   24   ARG    H   H  24     8.457     8.457    8.999   -0.542  17731
         560   1   11   .   1   1   25   25   PHE   HA   H  25     4.904     4.904    4.675    0.229  17731
         561   1   11   .   1   1   25   25   PHE    H   H  25     7.854     7.854    7.911   -0.057  17731
         562   1   11   .   1   1   26   26   LEU   HA   H  26     4.635     4.635    4.683   -0.047  17731
         563   1   11   .   1   1   26   26   LEU    H   H  26     8.983     8.983    9.329   -0.346  17731
         564   1   11   .   1   1   27   27   TYR   HA   H  27     4.959     4.959    4.967   -0.008  17731
         565   1   11   .   1   1   27   27   TYR    H   H  27     8.222     8.222    9.057   -0.835  17731
         566   1   11   .   1   1   28   28   CYS   HA   H  28     4.979     4.979    4.714    0.265  17731
         567   1   11   .   1   1   28   28   CYS    H   H  28     8.768     8.768    8.269    0.499  17731
         568   1   11   .   1   1   29   29   CYS   HA   H  29     5.059     5.059    4.523    0.536  17731
         569   1   11   .   1   1   29   29   CYS    H   H  29     8.878     8.878    8.171    0.707  17731
         570   1   11   .   1   1   30   30   PRO   HA   H  30     4.716     4.716    4.418    0.298  17731
         571   1   11   .   1   1   31   31   ARG   HA   H  31     4.103     4.103    4.578   -0.475  17731
         572   1   11   .   1   1   31   31   ARG    H   H  31     8.429     8.429    7.764    0.665  17731
         573   1   12   .   1   1    2    2   LEU   HA   H   2     4.355     4.355    4.364   -0.009  17731
         574   1   12   .   1   1    3    3   LEU   HA   H   3     4.406     4.406    4.318    0.088  17731
         575   1   12   .   1   1    3    3   LEU    H   H   3     8.341     8.341    8.158    0.183  17731
         576   1   12   .   1   1    4    4   CYS   HA   H   4     5.096     5.096    4.410    0.686  17731
         577   1   12   .   1   1    4    4   CYS    H   H   4     7.946     7.946    8.597   -0.651  17731
         578   1   12   .   1   1    5    5   TYR   HA   H   5     4.836     4.836    4.913   -0.077  17731
         579   1   12   .   1   1    5    5   TYR    H   H   5     8.663     8.663    8.611    0.052  17731
         580   1   12   .   1   1    6    6   CYS   HA   H   6     5.781     5.781    5.461    0.320  17731
         581   1   12   .   1   1    6    6   CYS    H   H   6     8.942     8.942    9.118   -0.176  17731
         582   1   12   .   1   1    7    7   ARG   HA   H   7     4.738     4.738    4.887   -0.149  17731
         583   1   12   .   1   1    7    7   ARG    H   H   7     9.828     9.828    8.986    0.842  17731
         584   1   12   .   1   1    8    8   LYS   HA   H   8     3.882     3.882    3.878    0.004  17731
         585   1   12   .   1   1    8    8   LYS    H   H   8     8.639     8.639    8.430    0.209  17731
         586   1   12   .   1   1    9    9   GLY    H   H   9     8.781     8.781    8.560    0.221  17731
         587   1   12   .   1   1   10   10   HIS   HA   H  10     4.545     4.545    4.612   -0.067  17731
         588   1   12   .   1   1   10   10   HIS    H   H  10     8.076     8.076    8.384   -0.308  17731
         589   1   12   .   1   1   11   11   CYS   HA   H  11     4.842     4.842    4.380    0.462  17731
         590   1   12   .   1   1   11   11   CYS    H   H  11     8.854     8.854    8.407    0.447  17731
         591   1   12   .   1   1   12   12   LYS   HA   H  12     4.340     4.340    4.493   -0.153  17731
         592   1   12   .   1   1   12   12   LYS    H   H  12     7.967     7.967    8.834   -0.867  17731
         593   1   12   .   1   1   13   13   ARG   HA   H  13     4.048     4.048    3.965    0.083  17731
         594   1   12   .   1   1   13   13   ARG    H   H  13     8.470     8.470    9.141   -0.671  17731
         595   1   12   .   1   1   15   15   GLY    H   H  15     8.385     8.385    8.536   -0.151  17731
         596   1   12   .   1   1   16   16   ARG   HA   H  16     4.701     4.701    4.392    0.309  17731
         597   1   12   .   1   1   16   16   ARG    H   H  16     8.855     8.855    8.180    0.675  17731
         598   1   12   .   1   1   17   17   VAL   HA   H  17     4.065     4.065    3.817    0.248  17731
         599   1   12   .   1   1   17   17   VAL    H   H  17     8.749     8.749    7.718    1.031  17731
         600   1   12   .   1   1   18   18   ARG   HA   H  18     4.700     4.700    4.756   -0.056  17731
         601   1   12   .   1   1   18   18   ARG    H   H  18     9.500     9.500    8.995    0.505  17731
         602   1   12   .   1   1   19   19   GLY    H   H  19     7.821     7.821    7.605    0.216  17731
         603   1   12   .   1   1   20   20   THR   HA   H  20     5.065     5.065    4.647    0.418  17731
         604   1   12   .   1   1   20   20   THR    H   H  20     8.608     8.608    8.210    0.398  17731
         605   1   12   .   1   1   21   21   CYS   HA   H  21     4.874     4.874    4.684    0.190  17731
         606   1   12   .   1   1   21   21   CYS    H   H  21     8.159     8.159    8.633   -0.474  17731
         607   1   12   .   1   1   22   22   GLY    H   H  22     8.319     8.319    8.484   -0.165  17731
         608   1   12   .   1   1   23   23   ILE   HA   H  23     4.028     4.028    4.370   -0.342  17731
         609   1   12   .   1   1   23   23   ILE    H   H  23     8.145     8.145    8.316   -0.171  17731
         610   1   12   .   1   1   24   24   ARG   HA   H  24     3.991     3.991    4.591   -0.600  17731
         611   1   12   .   1   1   24   24   ARG    H   H  24     8.457     8.457    7.808    0.649  17731
         612   1   12   .   1   1   25   25   PHE   HA   H  25     4.904     4.904    4.890    0.014  17731
         613   1   12   .   1   1   25   25   PHE    H   H  25     7.854     7.854    8.296   -0.442  17731
         614   1   12   .   1   1   26   26   LEU   HA   H  26     4.635     4.635    4.599    0.036  17731
         615   1   12   .   1   1   26   26   LEU    H   H  26     8.983     8.983    8.922    0.061  17731
         616   1   12   .   1   1   27   27   TYR   HA   H  27     4.959     4.959    4.750    0.209  17731
         617   1   12   .   1   1   27   27   TYR    H   H  27     8.222     8.222    8.643   -0.421  17731
         618   1   12   .   1   1   28   28   CYS   HA   H  28     4.979     4.979    4.901    0.078  17731
         619   1   12   .   1   1   28   28   CYS    H   H  28     8.768     8.768    8.259    0.509  17731
         620   1   12   .   1   1   29   29   CYS   HA   H  29     5.059     5.059    4.558    0.501  17731
         621   1   12   .   1   1   29   29   CYS    H   H  29     8.878     8.878    9.011   -0.133  17731
         622   1   12   .   1   1   30   30   PRO   HA   H  30     4.716     4.716    4.262    0.454  17731
         623   1   12   .   1   1   31   31   ARG   HA   H  31     4.103     4.103    4.527   -0.424  17731
         624   1   12   .   1   1   31   31   ARG    H   H  31     8.429     8.429    8.297    0.132  17731
         625   1   13   .   1   1    2    2   LEU   HA   H   2     4.355     4.355    3.984    0.371  17731
         626   1   13   .   1   1    3    3   LEU   HA   H   3     4.406     4.406    4.536   -0.130  17731
         627   1   13   .   1   1    3    3   LEU    H   H   3     8.341     8.341    7.996    0.345  17731
         628   1   13   .   1   1    4    4   CYS   HA   H   4     5.096     5.096    4.457    0.639  17731
         629   1   13   .   1   1    4    4   CYS    H   H   4     7.946     7.946    8.042   -0.096  17731
         630   1   13   .   1   1    5    5   TYR   HA   H   5     4.836     4.836    4.862   -0.026  17731
         631   1   13   .   1   1    5    5   TYR    H   H   5     8.663     8.663    8.473    0.191  17731
         632   1   13   .   1   1    6    6   CYS   HA   H   6     5.781     5.781    5.407    0.374  17731
         633   1   13   .   1   1    6    6   CYS    H   H   6     8.942     8.942    8.959   -0.017  17731
         634   1   13   .   1   1    7    7   ARG   HA   H   7     4.738     4.738    4.876   -0.138  17731
         635   1   13   .   1   1    7    7   ARG    H   H   7     9.828     9.828    9.345    0.483  17731
         636   1   13   .   1   1    8    8   LYS   HA   H   8     3.882     3.882    3.702    0.180  17731
         637   1   13   .   1   1    8    8   LYS    H   H   8     8.639     8.639    8.714   -0.075  17731
         638   1   13   .   1   1    9    9   GLY    H   H   9     8.781     8.781    8.136    0.645  17731
         639   1   13   .   1   1   10   10   HIS   HA   H  10     4.545     4.545    4.907   -0.362  17731
         640   1   13   .   1   1   10   10   HIS    H   H  10     8.076     8.076    8.523   -0.447  17731
         641   1   13   .   1   1   11   11   CYS   HA   H  11     4.842     4.842    4.362    0.480  17731
         642   1   13   .   1   1   11   11   CYS    H   H  11     8.854     8.854    8.788    0.066  17731
         643   1   13   .   1   1   12   12   LYS   HA   H  12     4.340     4.340    4.453   -0.113  17731
         644   1   13   .   1   1   12   12   LYS    H   H  12     7.967     7.967    8.494   -0.527  17731
         645   1   13   .   1   1   13   13   ARG   HA   H  13     4.048     4.048    4.486   -0.438  17731
         646   1   13   .   1   1   13   13   ARG    H   H  13     8.470     8.470    8.311    0.159  17731
         647   1   13   .   1   1   15   15   GLY    H   H  15     8.385     8.385    8.041    0.344  17731
         648   1   13   .   1   1   16   16   ARG   HA   H  16     4.701     4.701    4.444    0.257  17731
         649   1   13   .   1   1   16   16   ARG    H   H  16     8.855     8.855    8.521    0.334  17731
         650   1   13   .   1   1   17   17   VAL   HA   H  17     4.065     4.065    3.793    0.272  17731
         651   1   13   .   1   1   17   17   VAL    H   H  17     8.749     8.749    7.563    1.186  17731
         652   1   13   .   1   1   18   18   ARG   HA   H  18     4.700     4.700    4.430    0.270  17731
         653   1   13   .   1   1   18   18   ARG    H   H  18     9.500     9.500    9.179    0.321  17731
         654   1   13   .   1   1   19   19   GLY    H   H  19     7.821     7.821    8.058   -0.237  17731
         655   1   13   .   1   1   20   20   THR   HA   H  20     5.065     5.065    4.578    0.487  17731
         656   1   13   .   1   1   20   20   THR    H   H  20     8.608     8.608    8.126    0.482  17731
         657   1   13   .   1   1   21   21   CYS   HA   H  21     4.874     4.874    4.717    0.157  17731
         658   1   13   .   1   1   21   21   CYS    H   H  21     8.159     8.159    8.796   -0.637  17731
         659   1   13   .   1   1   22   22   GLY    H   H  22     8.319     8.319    7.994    0.325  17731
         660   1   13   .   1   1   23   23   ILE   HA   H  23     4.028     4.028    4.392   -0.364  17731
         661   1   13   .   1   1   23   23   ILE    H   H  23     8.145     8.145    8.328   -0.183  17731
         662   1   13   .   1   1   24   24   ARG   HA   H  24     3.991     3.991    3.912    0.079  17731
         663   1   13   .   1   1   24   24   ARG    H   H  24     8.457     8.457    9.000   -0.543  17731
         664   1   13   .   1   1   25   25   PHE   HA   H  25     4.904     4.904    4.619    0.285  17731
         665   1   13   .   1   1   25   25   PHE    H   H  25     7.854     7.854    7.830    0.024  17731
         666   1   13   .   1   1   26   26   LEU   HA   H  26     4.635     4.635    4.893   -0.258  17731
         667   1   13   .   1   1   26   26   LEU    H   H  26     8.983     8.983    9.401   -0.418  17731
         668   1   13   .   1   1   27   27   TYR   HA   H  27     4.959     4.959    4.918    0.041  17731
         669   1   13   .   1   1   27   27   TYR    H   H  27     8.222     8.222    8.997   -0.775  17731
         670   1   13   .   1   1   28   28   CYS   HA   H  28     4.979     4.979    4.893    0.086  17731
         671   1   13   .   1   1   28   28   CYS    H   H  28     8.768     8.768    8.713    0.055  17731
         672   1   13   .   1   1   29   29   CYS   HA   H  29     5.059     5.059    4.403    0.656  17731
         673   1   13   .   1   1   29   29   CYS    H   H  29     8.878     8.878    8.228    0.650  17731
         674   1   13   .   1   1   30   30   PRO   HA   H  30     4.716     4.716    4.244    0.472  17731
         675   1   13   .   1   1   31   31   ARG   HA   H  31     4.103     4.103    4.407   -0.304  17731
         676   1   13   .   1   1   31   31   ARG    H   H  31     8.429     8.429    7.646    0.783  17731
         677   1   14   .   1   1    2    2   LEU   HA   H   2     4.355     4.355    4.400   -0.045  17731
         678   1   14   .   1   1    3    3   LEU   HA   H   3     4.406     4.406    4.333    0.073  17731
         679   1   14   .   1   1    3    3   LEU    H   H   3     8.341     8.341    8.121    0.220  17731
         680   1   14   .   1   1    4    4   CYS   HA   H   4     5.096     5.096    4.450    0.646  17731
         681   1   14   .   1   1    4    4   CYS    H   H   4     7.946     7.946    8.599   -0.653  17731
         682   1   14   .   1   1    5    5   TYR   HA   H   5     4.836     4.836    5.069   -0.233  17731
         683   1   14   .   1   1    5    5   TYR    H   H   5     8.663     8.663    8.758   -0.095  17731
         684   1   14   .   1   1    6    6   CYS   HA   H   6     5.781     5.781    5.835   -0.054  17731
         685   1   14   .   1   1    6    6   CYS    H   H   6     8.942     8.942    9.195   -0.253  17731
         686   1   14   .   1   1    7    7   ARG   HA   H   7     4.738     4.738    4.824   -0.086  17731
         687   1   14   .   1   1    7    7   ARG    H   H   7     9.828     9.828    9.123    0.705  17731
         688   1   14   .   1   1    8    8   LYS   HA   H   8     3.882     3.882    3.740    0.142  17731
         689   1   14   .   1   1    8    8   LYS    H   H   8     8.639     8.639    7.912    0.727  17731
         690   1   14   .   1   1    9    9   GLY    H   H   9     8.781     8.781    8.309    0.472  17731
         691   1   14   .   1   1   10   10   HIS   HA   H  10     4.545     4.545    4.636   -0.091  17731
         692   1   14   .   1   1   10   10   HIS    H   H  10     8.076     8.076    8.479   -0.403  17731
         693   1   14   .   1   1   11   11   CYS   HA   H  11     4.842     4.842    4.287    0.555  17731
         694   1   14   .   1   1   11   11   CYS    H   H  11     8.854     8.854    8.307    0.547  17731
         695   1   14   .   1   1   12   12   LYS   HA   H  12     4.340     4.340    4.411   -0.071  17731
         696   1   14   .   1   1   12   12   LYS    H   H  12     7.967     7.967    8.824   -0.857  17731
         697   1   14   .   1   1   13   13   ARG   HA   H  13     4.048     4.048    3.976    0.072  17731
         698   1   14   .   1   1   13   13   ARG    H   H  13     8.470     8.470    9.080   -0.610  17731
         699   1   14   .   1   1   15   15   GLY    H   H  15     8.385     8.385    8.159    0.226  17731
         700   1   14   .   1   1   16   16   ARG   HA   H  16     4.701     4.701    4.576    0.125  17731
         701   1   14   .   1   1   16   16   ARG    H   H  16     8.855     8.855    8.168    0.687  17731
         702   1   14   .   1   1   17   17   VAL   HA   H  17     4.065     4.065    4.134   -0.069  17731
         703   1   14   .   1   1   17   17   VAL    H   H  17     8.749     8.749    8.674    0.075  17731
         704   1   14   .   1   1   18   18   ARG   HA   H  18     4.700     4.700    4.670    0.030  17731
         705   1   14   .   1   1   18   18   ARG    H   H  18     9.500     9.500    9.077    0.423  17731
         706   1   14   .   1   1   19   19   GLY    H   H  19     7.821     7.821    7.733    0.088  17731
         707   1   14   .   1   1   20   20   THR   HA   H  20     5.065     5.065    4.936    0.129  17731
         708   1   14   .   1   1   20   20   THR    H   H  20     8.608     8.608    8.125    0.483  17731
         709   1   14   .   1   1   21   21   CYS   HA   H  21     4.874     4.874    4.484    0.390  17731
         710   1   14   .   1   1   21   21   CYS    H   H  21     8.159     8.159    9.069   -0.910  17731
         711   1   14   .   1   1   22   22   GLY    H   H  22     8.319     8.319    8.455   -0.136  17731
         712   1   14   .   1   1   23   23   ILE   HA   H  23     4.028     4.028    4.392   -0.364  17731
         713   1   14   .   1   1   23   23   ILE    H   H  23     8.145     8.145    7.480    0.665  17731
         714   1   14   .   1   1   24   24   ARG   HA   H  24     3.991     3.991    4.099   -0.108  17731
         715   1   14   .   1   1   24   24   ARG    H   H  24     8.457     8.457    8.925   -0.468  17731
         716   1   14   .   1   1   25   25   PHE   HA   H  25     4.904     4.904    4.754    0.150  17731
         717   1   14   .   1   1   25   25   PHE    H   H  25     7.854     7.854    8.196   -0.342  17731
         718   1   14   .   1   1   26   26   LEU   HA   H  26     4.635     4.635    4.499    0.136  17731
         719   1   14   .   1   1   26   26   LEU    H   H  26     8.983     8.983    8.808    0.175  17731
         720   1   14   .   1   1   27   27   TYR   HA   H  27     4.959     4.959    4.891    0.068  17731
         721   1   14   .   1   1   27   27   TYR    H   H  27     8.222     8.222    8.946   -0.724  17731
         722   1   14   .   1   1   28   28   CYS   HA   H  28     4.979     4.979    5.049   -0.070  17731
         723   1   14   .   1   1   28   28   CYS    H   H  28     8.768     8.768    8.810   -0.042  17731
         724   1   14   .   1   1   29   29   CYS   HA   H  29     5.059     5.059    4.572    0.487  17731
         725   1   14   .   1   1   29   29   CYS    H   H  29     8.878     8.878    8.963   -0.085  17731
         726   1   14   .   1   1   30   30   PRO   HA   H  30     4.716     4.716    4.407    0.309  17731
         727   1   14   .   1   1   31   31   ARG   HA   H  31     4.103     4.103    4.115   -0.012  17731
         728   1   14   .   1   1   31   31   ARG    H   H  31     8.429     8.429    7.760    0.669  17731
         729   1   15   .   1   1    2    2   LEU   HA   H   2     4.355     4.355    4.259    0.096  17731
         730   1   15   .   1   1    3    3   LEU   HA   H   3     4.406     4.406    4.389    0.017  17731
         731   1   15   .   1   1    3    3   LEU    H   H   3     8.341     8.341    7.702    0.639  17731
         732   1   15   .   1   1    4    4   CYS   HA   H   4     5.096     5.096    4.286    0.810  17731
         733   1   15   .   1   1    4    4   CYS    H   H   4     7.946     7.946    8.775   -0.829  17731
         734   1   15   .   1   1    5    5   TYR   HA   H   5     4.836     4.836    4.844   -0.008  17731
         735   1   15   .   1   1    5    5   TYR    H   H   5     8.663     8.663    8.048    0.615  17731
         736   1   15   .   1   1    6    6   CYS   HA   H   6     5.781     5.781    5.319    0.462  17731
         737   1   15   .   1   1    6    6   CYS    H   H   6     8.942     8.942    9.135   -0.193  17731
         738   1   15   .   1   1    7    7   ARG   HA   H   7     4.738     4.738    4.841   -0.103  17731
         739   1   15   .   1   1    7    7   ARG    H   H   7     9.828     9.828    9.279    0.549  17731
         740   1   15   .   1   1    8    8   LYS   HA   H   8     3.882     3.882    3.744    0.138  17731
         741   1   15   .   1   1    8    8   LYS    H   H   8     8.639     8.639    8.777   -0.138  17731
         742   1   15   .   1   1    9    9   GLY    H   H   9     8.781     8.781    7.598    1.183  17731
         743   1   15   .   1   1   10   10   HIS   HA   H  10     4.545     4.545    4.866   -0.321  17731
         744   1   15   .   1   1   10   10   HIS    H   H  10     8.076     8.076    8.627   -0.551  17731
         745   1   15   .   1   1   11   11   CYS   HA   H  11     4.842     4.842    4.357    0.485  17731
         746   1   15   .   1   1   11   11   CYS    H   H  11     8.854     8.854    8.174    0.680  17731
         747   1   15   .   1   1   12   12   LYS   HA   H  12     4.340     4.340    4.384   -0.044  17731
         748   1   15   .   1   1   12   12   LYS    H   H  12     7.967     7.967    8.438   -0.471  17731
         749   1   15   .   1   1   13   13   ARG   HA   H  13     4.048     4.048    3.992    0.056  17731
         750   1   15   .   1   1   13   13   ARG    H   H  13     8.470     8.470    9.203   -0.733  17731
         751   1   15   .   1   1   15   15   GLY    H   H  15     8.385     8.385    7.951    0.434  17731
         752   1   15   .   1   1   16   16   ARG   HA   H  16     4.701     4.701    4.623    0.078  17731
         753   1   15   .   1   1   16   16   ARG    H   H  16     8.855     8.855    8.222    0.633  17731
         754   1   15   .   1   1   17   17   VAL   HA   H  17     4.065     4.065    3.891    0.174  17731
         755   1   15   .   1   1   17   17   VAL    H   H  17     8.749     8.749    8.694    0.055  17731
         756   1   15   .   1   1   18   18   ARG   HA   H  18     4.700     4.700    4.454    0.246  17731
         757   1   15   .   1   1   18   18   ARG    H   H  18     9.500     9.500    9.193    0.307  17731
         758   1   15   .   1   1   19   19   GLY    H   H  19     7.821     7.821    7.811    0.010  17731
         759   1   15   .   1   1   20   20   THR   HA   H  20     5.065     5.065    4.634    0.431  17731
         760   1   15   .   1   1   20   20   THR    H   H  20     8.608     8.608    8.146    0.462  17731
         761   1   15   .   1   1   21   21   CYS   HA   H  21     4.874     4.874    4.703    0.171  17731
         762   1   15   .   1   1   21   21   CYS    H   H  21     8.159     8.159    8.825   -0.666  17731
         763   1   15   .   1   1   22   22   GLY    H   H  22     8.319     8.319    7.880    0.439  17731
         764   1   15   .   1   1   23   23   ILE   HA   H  23     4.028     4.028    4.166   -0.138  17731
         765   1   15   .   1   1   23   23   ILE    H   H  23     8.145     8.145    8.458   -0.313  17731
         766   1   15   .   1   1   24   24   ARG   HA   H  24     3.991     3.991    3.943    0.048  17731
         767   1   15   .   1   1   24   24   ARG    H   H  24     8.457     8.457    8.872   -0.415  17731
         768   1   15   .   1   1   25   25   PHE   HA   H  25     4.904     4.904    4.977   -0.073  17731
         769   1   15   .   1   1   25   25   PHE    H   H  25     7.854     7.854    7.712    0.142  17731
         770   1   15   .   1   1   26   26   LEU   HA   H  26     4.635     4.635    4.810   -0.175  17731
         771   1   15   .   1   1   26   26   LEU    H   H  26     8.983     8.983    9.478   -0.495  17731
         772   1   15   .   1   1   27   27   TYR   HA   H  27     4.959     4.959    5.112   -0.153  17731
         773   1   15   .   1   1   27   27   TYR    H   H  27     8.222     8.222    9.181   -0.959  17731
         774   1   15   .   1   1   28   28   CYS   HA   H  28     4.979     4.979    4.973    0.006  17731
         775   1   15   .   1   1   28   28   CYS    H   H  28     8.768     8.768    8.581    0.187  17731
         776   1   15   .   1   1   29   29   CYS   HA   H  29     5.059     5.059    4.600    0.459  17731
         777   1   15   .   1   1   29   29   CYS    H   H  29     8.878     8.878    8.950   -0.072  17731
         778   1   15   .   1   1   30   30   PRO   HA   H  30     4.716     4.716    4.646    0.070  17731
         779   1   15   .   1   1   31   31   ARG   HA   H  31     4.103     4.103    4.101    0.002  17731
         780   1   15   .   1   1   31   31   ARG    H   H  31     8.429     8.429    8.620   -0.191  17731
         781   1   16   .   1   1    2    2   LEU   HA   H   2     4.355     4.355    4.424   -0.069  17731
         782   1   16   .   1   1    3    3   LEU   HA   H   3     4.406     4.406    4.652   -0.246  17731
         783   1   16   .   1   1    3    3   LEU    H   H   3     8.341     8.341    7.722    0.619  17731
         784   1   16   .   1   1    4    4   CYS   HA   H   4     5.096     5.096    4.277    0.819  17731
         785   1   16   .   1   1    4    4   CYS    H   H   4     7.946     7.946    7.884    0.062  17731
         786   1   16   .   1   1    5    5   TYR   HA   H   5     4.836     4.836    4.981   -0.145  17731
         787   1   16   .   1   1    5    5   TYR    H   H   5     8.663     8.663    8.639    0.024  17731
         788   1   16   .   1   1    6    6   CYS   HA   H   6     5.781     5.781    5.873   -0.092  17731
         789   1   16   .   1   1    6    6   CYS    H   H   6     8.942     8.942    9.076   -0.134  17731
         790   1   16   .   1   1    7    7   ARG   HA   H   7     4.738     4.738    4.912   -0.174  17731
         791   1   16   .   1   1    7    7   ARG    H   H   7     9.828     9.828    9.143    0.685  17731
         792   1   16   .   1   1    8    8   LYS   HA   H   8     3.882     3.882    3.790    0.092  17731
         793   1   16   .   1   1    8    8   LYS    H   H   8     8.639     8.639    8.589    0.050  17731
         794   1   16   .   1   1    9    9   GLY    H   H   9     8.781     8.781    8.646    0.135  17731
         795   1   16   .   1   1   10   10   HIS   HA   H  10     4.545     4.545    4.628   -0.083  17731
         796   1   16   .   1   1   10   10   HIS    H   H  10     8.076     8.076    7.819    0.257  17731
         797   1   16   .   1   1   11   11   CYS   HA   H  11     4.842     4.842    4.165    0.677  17731
         798   1   16   .   1   1   11   11   CYS    H   H  11     8.854     8.854    8.322    0.532  17731
         799   1   16   .   1   1   12   12   LYS   HA   H  12     4.340     4.340    4.377   -0.037  17731
         800   1   16   .   1   1   12   12   LYS    H   H  12     7.967     7.967    8.320   -0.353  17731
         801   1   16   .   1   1   13   13   ARG   HA   H  13     4.048     4.048    3.908    0.140  17731
         802   1   16   .   1   1   13   13   ARG    H   H  13     8.470     8.470    9.092   -0.622  17731
         803   1   16   .   1   1   15   15   GLY    H   H  15     8.385     8.385    8.209    0.176  17731
         804   1   16   .   1   1   16   16   ARG   HA   H  16     4.701     4.701    4.472    0.229  17731
         805   1   16   .   1   1   16   16   ARG    H   H  16     8.855     8.855    8.090    0.765  17731
         806   1   16   .   1   1   17   17   VAL   HA   H  17     4.065     4.065    3.892    0.173  17731
         807   1   16   .   1   1   17   17   VAL    H   H  17     8.749     8.749    8.611    0.138  17731
         808   1   16   .   1   1   18   18   ARG   HA   H  18     4.700     4.700    4.621    0.079  17731
         809   1   16   .   1   1   18   18   ARG    H   H  18     9.500     9.500    9.038    0.462  17731
         810   1   16   .   1   1   19   19   GLY    H   H  19     7.821     7.821    7.896   -0.075  17731
         811   1   16   .   1   1   20   20   THR   HA   H  20     5.065     5.065    4.650    0.415  17731
         812   1   16   .   1   1   20   20   THR    H   H  20     8.608     8.608    8.224    0.384  17731
         813   1   16   .   1   1   21   21   CYS   HA   H  21     4.874     4.874    4.849    0.025  17731
         814   1   16   .   1   1   21   21   CYS    H   H  21     8.159     8.159    8.966   -0.807  17731
         815   1   16   .   1   1   22   22   GLY    H   H  22     8.319     8.319    8.488   -0.169  17731
         816   1   16   .   1   1   23   23   ILE   HA   H  23     4.028     4.028    3.992    0.036  17731
         817   1   16   .   1   1   23   23   ILE    H   H  23     8.145     8.145    8.108    0.037  17731
         818   1   16   .   1   1   24   24   ARG   HA   H  24     3.991     3.991    3.984    0.007  17731
         819   1   16   .   1   1   24   24   ARG    H   H  24     8.457     8.457    8.441    0.016  17731
         820   1   16   .   1   1   25   25   PHE   HA   H  25     4.904     4.904    5.096   -0.192  17731
         821   1   16   .   1   1   25   25   PHE    H   H  25     7.854     7.854    7.750    0.104  17731
         822   1   16   .   1   1   26   26   LEU   HA   H  26     4.635     4.635    4.800   -0.165  17731
         823   1   16   .   1   1   26   26   LEU    H   H  26     8.983     8.983    9.099   -0.116  17731
         824   1   16   .   1   1   27   27   TYR   HA   H  27     4.959     4.959    5.069   -0.110  17731
         825   1   16   .   1   1   27   27   TYR    H   H  27     8.222     8.222    8.981   -0.759  17731
         826   1   16   .   1   1   28   28   CYS   HA   H  28     4.979     4.979    5.041   -0.062  17731
         827   1   16   .   1   1   28   28   CYS    H   H  28     8.768     8.768    8.709    0.059  17731
         828   1   16   .   1   1   29   29   CYS   HA   H  29     5.059     5.059    4.464    0.595  17731
         829   1   16   .   1   1   29   29   CYS    H   H  29     8.878     8.878    8.931   -0.053  17731
         830   1   16   .   1   1   30   30   PRO   HA   H  30     4.716     4.716    4.275    0.441  17731
         831   1   16   .   1   1   31   31   ARG   HA   H  31     4.103     4.103    4.473   -0.370  17731
         832   1   16   .   1   1   31   31   ARG    H   H  31     8.429     8.429    8.294    0.135  17731
         833   1   17   .   1   1    2    2   LEU   HA   H   2     4.355     4.355    4.446   -0.091  17731
         834   1   17   .   1   1    3    3   LEU   HA   H   3     4.406     4.406    4.645   -0.239  17731
         835   1   17   .   1   1    3    3   LEU    H   H   3     8.341     8.341    8.424   -0.083  17731
         836   1   17   .   1   1    4    4   CYS   HA   H   4     5.096     5.096    4.136    0.960  17731
         837   1   17   .   1   1    4    4   CYS    H   H   4     7.946     7.946    7.442    0.504  17731
         838   1   17   .   1   1    5    5   TYR   HA   H   5     4.836     4.836    4.892   -0.056  17731
         839   1   17   .   1   1    5    5   TYR    H   H   5     8.663     8.663    8.376    0.287  17731
         840   1   17   .   1   1    6    6   CYS   HA   H   6     5.781     5.781    5.129    0.652  17731
         841   1   17   .   1   1    6    6   CYS    H   H   6     8.942     8.942    9.214   -0.272  17731
         842   1   17   .   1   1    7    7   ARG   HA   H   7     4.738     4.738    4.678    0.060  17731
         843   1   17   .   1   1    7    7   ARG    H   H   7     9.828     9.828    9.326    0.502  17731
         844   1   17   .   1   1    8    8   LYS   HA   H   8     3.882     3.882    3.853    0.029  17731
         845   1   17   .   1   1    8    8   LYS    H   H   8     8.639     8.639    8.766   -0.127  17731
         846   1   17   .   1   1    9    9   GLY    H   H   9     8.781     8.781    8.048    0.733  17731
         847   1   17   .   1   1   10   10   HIS   HA   H  10     4.545     4.545    4.707   -0.162  17731
         848   1   17   .   1   1   10   10   HIS    H   H  10     8.076     8.076    7.591    0.485  17731
         849   1   17   .   1   1   11   11   CYS   HA   H  11     4.842     4.842    4.400    0.442  17731
         850   1   17   .   1   1   11   11   CYS    H   H  11     8.854     8.854    8.618    0.236  17731
         851   1   17   .   1   1   12   12   LYS   HA   H  12     4.340     4.340    4.426   -0.086  17731
         852   1   17   .   1   1   12   12   LYS    H   H  12     7.967     7.967    8.556   -0.589  17731
         853   1   17   .   1   1   13   13   ARG   HA   H  13     4.048     4.048    3.984    0.064  17731
         854   1   17   .   1   1   13   13   ARG    H   H  13     8.470     8.470    9.349   -0.879  17731
         855   1   17   .   1   1   15   15   GLY    H   H  15     8.385     8.385    7.584    0.801  17731
         856   1   17   .   1   1   16   16   ARG   HA   H  16     4.701     4.701    4.470    0.231  17731
         857   1   17   .   1   1   16   16   ARG    H   H  16     8.855     8.855    7.949    0.906  17731
         858   1   17   .   1   1   17   17   VAL   HA   H  17     4.065     4.065    3.757    0.308  17731
         859   1   17   .   1   1   17   17   VAL    H   H  17     8.749     8.749    8.733    0.016  17731
         860   1   17   .   1   1   18   18   ARG   HA   H  18     4.700     4.700    4.660    0.040  17731
         861   1   17   .   1   1   18   18   ARG    H   H  18     9.500     9.500    9.074    0.426  17731
         862   1   17   .   1   1   19   19   GLY    H   H  19     7.821     7.821    7.929   -0.108  17731
         863   1   17   .   1   1   20   20   THR   HA   H  20     5.065     5.065    5.097   -0.032  17731
         864   1   17   .   1   1   20   20   THR    H   H  20     8.608     8.608    8.260    0.348  17731
         865   1   17   .   1   1   21   21   CYS   HA   H  21     4.874     4.874    4.966   -0.092  17731
         866   1   17   .   1   1   21   21   CYS    H   H  21     8.159     8.159    9.003   -0.844  17731
         867   1   17   .   1   1   22   22   GLY    H   H  22     8.319     8.319    7.649    0.670  17731
         868   1   17   .   1   1   23   23   ILE   HA   H  23     4.028     4.028    4.081   -0.053  17731
         869   1   17   .   1   1   23   23   ILE    H   H  23     8.145     8.145    8.360   -0.215  17731
         870   1   17   .   1   1   24   24   ARG   HA   H  24     3.991     3.991    4.029   -0.038  17731
         871   1   17   .   1   1   24   24   ARG    H   H  24     8.457     8.457    8.548   -0.091  17731
         872   1   17   .   1   1   25   25   PHE   HA   H  25     4.904     4.904    4.721    0.183  17731
         873   1   17   .   1   1   25   25   PHE    H   H  25     7.854     7.854    7.679    0.175  17731
         874   1   17   .   1   1   26   26   LEU   HA   H  26     4.635     4.635    4.808   -0.173  17731
         875   1   17   .   1   1   26   26   LEU    H   H  26     8.983     8.983    9.279   -0.296  17731
         876   1   17   .   1   1   27   27   TYR   HA   H  27     4.959     4.959    5.299   -0.340  17731
         877   1   17   .   1   1   27   27   TYR    H   H  27     8.222     8.222    9.287   -1.065  17731
         878   1   17   .   1   1   28   28   CYS   HA   H  28     4.979     4.979    5.017   -0.038  17731
         879   1   17   .   1   1   28   28   CYS    H   H  28     8.768     8.768    8.740    0.028  17731
         880   1   17   .   1   1   29   29   CYS   HA   H  29     5.059     5.059    4.530    0.529  17731
         881   1   17   .   1   1   29   29   CYS    H   H  29     8.878     8.878    8.684    0.194  17731
         882   1   17   .   1   1   30   30   PRO   HA   H  30     4.716     4.716    4.500    0.216  17731
         883   1   17   .   1   1   31   31   ARG   HA   H  31     4.103     4.103    4.491   -0.388  17731
         884   1   17   .   1   1   31   31   ARG    H   H  31     8.429     8.429    8.745   -0.316  17731
         885   1   18   .   1   1    2    2   LEU   HA   H   2     4.355     4.355    4.093    0.262  17731
         886   1   18   .   1   1    3    3   LEU   HA   H   3     4.406     4.406    4.301    0.105  17731
         887   1   18   .   1   1    3    3   LEU    H   H   3     8.341     8.341    7.932    0.409  17731
         888   1   18   .   1   1    4    4   CYS   HA   H   4     5.096     5.096    3.962    1.133  17731
         889   1   18   .   1   1    4    4   CYS    H   H   4     7.946     7.946    8.691   -0.745  17731
         890   1   18   .   1   1    5    5   TYR   HA   H   5     4.836     4.836    4.859   -0.023  17731
         891   1   18   .   1   1    5    5   TYR    H   H   5     8.663     8.663    8.068    0.595  17731
         892   1   18   .   1   1    6    6   CYS   HA   H   6     5.781     5.781    5.249    0.532  17731
         893   1   18   .   1   1    6    6   CYS    H   H   6     8.942     8.942    9.096   -0.154  17731
         894   1   18   .   1   1    7    7   ARG   HA   H   7     4.738     4.738    4.778   -0.040  17731
         895   1   18   .   1   1    7    7   ARG    H   H   7     9.828     9.828    9.319    0.509  17731
         896   1   18   .   1   1    8    8   LYS   HA   H   8     3.882     3.882    3.820    0.062  17731
         897   1   18   .   1   1    8    8   LYS    H   H   8     8.639     8.639    8.688   -0.049  17731
         898   1   18   .   1   1    9    9   GLY    H   H   9     8.781     8.781    8.712    0.069  17731
         899   1   18   .   1   1   10   10   HIS   HA   H  10     4.545     4.545    4.831   -0.286  17731
         900   1   18   .   1   1   10   10   HIS    H   H  10     8.076     8.076    7.736    0.340  17731
         901   1   18   .   1   1   11   11   CYS   HA   H  11     4.842     4.842    4.602    0.240  17731
         902   1   18   .   1   1   11   11   CYS    H   H  11     8.854     8.854    8.288    0.566  17731
         903   1   18   .   1   1   12   12   LYS   HA   H  12     4.340     4.340    4.357   -0.017  17731
         904   1   18   .   1   1   12   12   LYS    H   H  12     7.967     7.967    7.945    0.022  17731
         905   1   18   .   1   1   13   13   ARG   HA   H  13     4.048     4.048    4.402   -0.354  17731
         906   1   18   .   1   1   13   13   ARG    H   H  13     8.470     8.470    8.208    0.262  17731
         907   1   18   .   1   1   15   15   GLY    H   H  15     8.385     8.385    8.649   -0.264  17731
         908   1   18   .   1   1   16   16   ARG   HA   H  16     4.701     4.701    4.591    0.110  17731
         909   1   18   .   1   1   16   16   ARG    H   H  16     8.855     8.855    8.111    0.744  17731
         910   1   18   .   1   1   17   17   VAL   HA   H  17     4.065     4.065    3.828    0.237  17731
         911   1   18   .   1   1   17   17   VAL    H   H  17     8.749     8.749    8.135    0.614  17731
         912   1   18   .   1   1   18   18   ARG   HA   H  18     4.700     4.700    4.545    0.155  17731
         913   1   18   .   1   1   18   18   ARG    H   H  18     9.500     9.500    8.907    0.593  17731
         914   1   18   .   1   1   19   19   GLY    H   H  19     7.821     7.821    7.745    0.076  17731
         915   1   18   .   1   1   20   20   THR   HA   H  20     5.065     5.065    4.675    0.390  17731
         916   1   18   .   1   1   20   20   THR    H   H  20     8.608     8.608    8.229    0.379  17731
         917   1   18   .   1   1   21   21   CYS   HA   H  21     4.874     4.874    4.662    0.212  17731
         918   1   18   .   1   1   21   21   CYS    H   H  21     8.159     8.159    8.783   -0.624  17731
         919   1   18   .   1   1   22   22   GLY    H   H  22     8.319     8.319    8.667   -0.348  17731
         920   1   18   .   1   1   23   23   ILE   HA   H  23     4.028     4.028    4.523   -0.495  17731
         921   1   18   .   1   1   23   23   ILE    H   H  23     8.145     8.145    8.207   -0.062  17731
         922   1   18   .   1   1   24   24   ARG   HA   H  24     3.991     3.991    4.511   -0.520  17731
         923   1   18   .   1   1   24   24   ARG    H   H  24     8.457     8.457    7.832    0.625  17731
         924   1   18   .   1   1   25   25   PHE   HA   H  25     4.904     4.904    4.745    0.159  17731
         925   1   18   .   1   1   25   25   PHE    H   H  25     7.854     7.854    8.180   -0.326  17731
         926   1   18   .   1   1   26   26   LEU   HA   H  26     4.635     4.635    4.580    0.055  17731
         927   1   18   .   1   1   26   26   LEU    H   H  26     8.983     8.983    9.354   -0.371  17731
         928   1   18   .   1   1   27   27   TYR   HA   H  27     4.959     4.959    5.173   -0.214  17731
         929   1   18   .   1   1   27   27   TYR    H   H  27     8.222     8.222    9.107   -0.885  17731
         930   1   18   .   1   1   28   28   CYS   HA   H  28     4.979     4.979    4.885    0.094  17731
         931   1   18   .   1   1   28   28   CYS    H   H  28     8.768     8.768    8.417    0.351  17731
         932   1   18   .   1   1   29   29   CYS   HA   H  29     5.059     5.059    4.426    0.633  17731
         933   1   18   .   1   1   29   29   CYS    H   H  29     8.878     8.878    8.601    0.277  17731
         934   1   18   .   1   1   30   30   PRO   HA   H  30     4.716     4.716    4.448    0.268  17731
         935   1   18   .   1   1   31   31   ARG   HA   H  31     4.103     4.103    4.453   -0.350  17731
         936   1   18   .   1   1   31   31   ARG    H   H  31     8.429     8.429    8.111    0.318  17731
         937   1   19   .   1   1    2    2   LEU   HA   H   2     4.355     4.355    4.835   -0.480  17731
         938   1   19   .   1   1    3    3   LEU   HA   H   3     4.406     4.406    4.717   -0.311  17731
         939   1   19   .   1   1    3    3   LEU    H   H   3     8.341     8.341    8.276    0.065  17731
         940   1   19   .   1   1    4    4   CYS   HA   H   4     5.096     5.096    4.196    0.900  17731
         941   1   19   .   1   1    4    4   CYS    H   H   4     7.946     7.946    8.566   -0.620  17731
         942   1   19   .   1   1    5    5   TYR   HA   H   5     4.836     4.836    4.948   -0.112  17731
         943   1   19   .   1   1    5    5   TYR    H   H   5     8.663     8.663    8.686   -0.023  17731
         944   1   19   .   1   1    6    6   CYS   HA   H   6     5.781     5.781    5.402    0.379  17731
         945   1   19   .   1   1    6    6   CYS    H   H   6     8.942     8.942    9.101   -0.159  17731
         946   1   19   .   1   1    7    7   ARG   HA   H   7     4.738     4.738    4.786   -0.048  17731
         947   1   19   .   1   1    7    7   ARG    H   H   7     9.828     9.828    9.351    0.477  17731
         948   1   19   .   1   1    8    8   LYS   HA   H   8     3.882     3.882    3.788    0.094  17731
         949   1   19   .   1   1    8    8   LYS    H   H   8     8.639     8.639    8.765   -0.126  17731
         950   1   19   .   1   1    9    9   GLY    H   H   9     8.781     8.781    7.560    1.221  17731
         951   1   19   .   1   1   10   10   HIS   HA   H  10     4.545     4.545    4.726   -0.181  17731
         952   1   19   .   1   1   10   10   HIS    H   H  10     8.076     8.076    8.525   -0.449  17731
         953   1   19   .   1   1   11   11   CYS   HA   H  11     4.842     4.842    4.207    0.635  17731
         954   1   19   .   1   1   11   11   CYS    H   H  11     8.854     8.854    7.920    0.934  17731
         955   1   19   .   1   1   12   12   LYS   HA   H  12     4.340     4.340    4.418   -0.078  17731
         956   1   19   .   1   1   12   12   LYS    H   H  12     7.967     7.967    8.249   -0.282  17731
         957   1   19   .   1   1   13   13   ARG   HA   H  13     4.048     4.048    4.015    0.033  17731
         958   1   19   .   1   1   13   13   ARG    H   H  13     8.470     8.470    8.932   -0.462  17731
         959   1   19   .   1   1   15   15   GLY    H   H  15     8.385     8.385    8.799   -0.414  17731
         960   1   19   .   1   1   16   16   ARG   HA   H  16     4.701     4.701    4.402    0.299  17731
         961   1   19   .   1   1   16   16   ARG    H   H  16     8.855     8.855    8.103    0.752  17731
         962   1   19   .   1   1   17   17   VAL   HA   H  17     4.065     4.065    3.902    0.163  17731
         963   1   19   .   1   1   17   17   VAL    H   H  17     8.749     8.749    7.863    0.886  17731
         964   1   19   .   1   1   18   18   ARG   HA   H  18     4.700     4.700    4.609    0.090  17731
         965   1   19   .   1   1   18   18   ARG    H   H  18     9.500     9.500    9.140    0.360  17731
         966   1   19   .   1   1   19   19   GLY    H   H  19     7.821     7.821    7.929   -0.108  17731
         967   1   19   .   1   1   20   20   THR   HA   H  20     5.065     5.065    4.746    0.319  17731
         968   1   19   .   1   1   20   20   THR    H   H  20     8.608     8.608    8.237    0.371  17731
         969   1   19   .   1   1   21   21   CYS   HA   H  21     4.874     4.874    4.647    0.227  17731
         970   1   19   .   1   1   21   21   CYS    H   H  21     8.159     8.159    8.862   -0.703  17731
         971   1   19   .   1   1   22   22   GLY    H   H  22     8.319     8.319    7.956    0.363  17731
         972   1   19   .   1   1   23   23   ILE   HA   H  23     4.028     4.028    4.085   -0.057  17731
         973   1   19   .   1   1   23   23   ILE    H   H  23     8.145     8.145    8.457   -0.312  17731
         974   1   19   .   1   1   24   24   ARG   HA   H  24     3.991     3.991    3.963    0.028  17731
         975   1   19   .   1   1   24   24   ARG    H   H  24     8.457     8.457    8.754   -0.297  17731
         976   1   19   .   1   1   25   25   PHE   HA   H  25     4.904     4.904    4.755    0.149  17731
         977   1   19   .   1   1   25   25   PHE    H   H  25     7.854     7.854    7.763    0.091  17731
         978   1   19   .   1   1   26   26   LEU   HA   H  26     4.635     4.635    4.791   -0.156  17731
         979   1   19   .   1   1   26   26   LEU    H   H  26     8.983     8.983    9.073   -0.090  17731
         980   1   19   .   1   1   27   27   TYR   HA   H  27     4.959     4.959    4.966   -0.007  17731
         981   1   19   .   1   1   27   27   TYR    H   H  27     8.222     8.222    9.222   -1.000  17731
         982   1   19   .   1   1   28   28   CYS   HA   H  28     4.979     4.979    5.054   -0.075  17731
         983   1   19   .   1   1   28   28   CYS    H   H  28     8.768     8.768    8.641    0.127  17731
         984   1   19   .   1   1   29   29   CYS   HA   H  29     5.059     5.059    4.435    0.624  17731
         985   1   19   .   1   1   29   29   CYS    H   H  29     8.878     8.878    8.579    0.299  17731
         986   1   19   .   1   1   30   30   PRO   HA   H  30     4.716     4.716    4.498    0.218  17731
         987   1   19   .   1   1   31   31   ARG   HA   H  31     4.103     4.103    4.383   -0.280  17731
         988   1   19   .   1   1   31   31   ARG    H   H  31     8.429     8.429    8.400    0.029  17731
         989   1   20   .   1   1    2    2   LEU   HA   H   2     4.355     4.355    4.554   -0.199  17731
         990   1   20   .   1   1    3    3   LEU   HA   H   3     4.406     4.406    4.562   -0.156  17731
         991   1   20   .   1   1    3    3   LEU    H   H   3     8.341     8.341    7.508    0.833  17731
         992   1   20   .   1   1    4    4   CYS   HA   H   4     5.096     5.096    4.063    1.033  17731
         993   1   20   .   1   1    4    4   CYS    H   H   4     7.946     7.946    7.935    0.011  17731
         994   1   20   .   1   1    5    5   TYR   HA   H   5     4.836     4.836    4.713    0.123  17731
         995   1   20   .   1   1    5    5   TYR    H   H   5     8.663     8.663    8.060    0.603  17731
         996   1   20   .   1   1    6    6   CYS   HA   H   6     5.781     5.781    5.584    0.197  17731
         997   1   20   .   1   1    6    6   CYS    H   H   6     8.942     8.942    8.969   -0.027  17731
         998   1   20   .   1   1    7    7   ARG   HA   H   7     4.738     4.738    4.907   -0.169  17731
         999   1   20   .   1   1    7    7   ARG    H   H   7     9.828     9.828    8.962    0.866  17731
        1000   1   20   .   1   1    8    8   LYS   HA   H   8     3.882     3.882    3.733    0.149  17731
        1001   1   20   .   1   1    8    8   LYS    H   H   8     8.639     8.639    8.402    0.237  17731
        1002   1   20   .   1   1    9    9   GLY    H   H   9     8.781     8.781    7.649    1.132  17731
        1003   1   20   .   1   1   10   10   HIS   HA   H  10     4.545     4.545    4.403    0.142  17731
        1004   1   20   .   1   1   10   10   HIS    H   H  10     8.076     8.076    8.707   -0.631  17731
        1005   1   20   .   1   1   11   11   CYS   HA   H  11     4.842     4.842    4.365    0.477  17731
        1006   1   20   .   1   1   11   11   CYS    H   H  11     8.854     8.854    8.680    0.174  17731
        1007   1   20   .   1   1   12   12   LYS   HA   H  12     4.340     4.340    4.407   -0.067  17731
        1008   1   20   .   1   1   12   12   LYS    H   H  12     7.967     7.967    8.890   -0.923  17731
        1009   1   20   .   1   1   13   13   ARG   HA   H  13     4.048     4.048    4.490   -0.442  17731
        1010   1   20   .   1   1   13   13   ARG    H   H  13     8.470     8.470    7.927    0.543  17731
        1011   1   20   .   1   1   15   15   GLY    H   H  15     8.385     8.385    8.645   -0.260  17731
        1012   1   20   .   1   1   16   16   ARG   HA   H  16     4.701     4.701    4.479    0.222  17731
        1013   1   20   .   1   1   16   16   ARG    H   H  16     8.855     8.855    8.230    0.625  17731
        1014   1   20   .   1   1   17   17   VAL   HA   H  17     4.065     4.065    4.135   -0.070  17731
        1015   1   20   .   1   1   17   17   VAL    H   H  17     8.749     8.749    7.890    0.859  17731
        1016   1   20   .   1   1   18   18   ARG   HA   H  18     4.700     4.700    4.711   -0.011  17731
        1017   1   20   .   1   1   18   18   ARG    H   H  18     9.500     9.500    9.110    0.390  17731
        1018   1   20   .   1   1   19   19   GLY    H   H  19     7.821     7.821    7.735    0.086  17731
        1019   1   20   .   1   1   20   20   THR   HA   H  20     5.065     5.065    4.684    0.381  17731
        1020   1   20   .   1   1   20   20   THR    H   H  20     8.608     8.608    8.171    0.437  17731
        1021   1   20   .   1   1   21   21   CYS   HA   H  21     4.874     4.874    4.954   -0.080  17731
        1022   1   20   .   1   1   21   21   CYS    H   H  21     8.159     8.159    8.930   -0.771  17731
        1023   1   20   .   1   1   22   22   GLY    H   H  22     8.319     8.319    8.473   -0.154  17731
        1024   1   20   .   1   1   23   23   ILE   HA   H  23     4.028     4.028    3.994    0.034  17731
        1025   1   20   .   1   1   23   23   ILE    H   H  23     8.145     8.145    8.064    0.081  17731
        1026   1   20   .   1   1   24   24   ARG   HA   H  24     3.991     3.991    4.075   -0.084  17731
        1027   1   20   .   1   1   24   24   ARG    H   H  24     8.457     8.457    8.631   -0.174  17731
        1028   1   20   .   1   1   25   25   PHE   HA   H  25     4.904     4.904    5.053   -0.149  17731
        1029   1   20   .   1   1   25   25   PHE    H   H  25     7.854     7.854    7.892   -0.038  17731
        1030   1   20   .   1   1   26   26   LEU   HA   H  26     4.635     4.635    4.741   -0.106  17731
        1031   1   20   .   1   1   26   26   LEU    H   H  26     8.983     8.983    9.438   -0.455  17731
        1032   1   20   .   1   1   27   27   TYR   HA   H  27     4.959     4.959    5.015   -0.056  17731
        1033   1   20   .   1   1   27   27   TYR    H   H  27     8.222     8.222    8.712   -0.490  17731
        1034   1   20   .   1   1   28   28   CYS   HA   H  28     4.979     4.979    4.966    0.013  17731
        1035   1   20   .   1   1   28   28   CYS    H   H  28     8.768     8.768    8.482    0.286  17731
        1036   1   20   .   1   1   29   29   CYS   HA   H  29     5.059     5.059    4.295    0.764  17731
        1037   1   20   .   1   1   29   29   CYS    H   H  29     8.878     8.878    8.268    0.610  17731
        1038   1   20   .   1   1   30   30   PRO   HA   H  30     4.716     4.716    4.477    0.239  17731
        1039   1   20   .   1   1   31   31   ARG   HA   H  31     4.103     4.103    4.549   -0.446  17731
        1040   1   20   .   1   1   31   31   ARG    H   H  31     8.429     8.429    7.976    0.453  17731
   stop_

   loop_
      _SPARTA_output.Data_ID
      _SPARTA_output.Entity_delta_chem_shifts_ID
      _SPARTA_output.Conformer_ID
      _SPARTA_output.Data_type
      _SPARTA_output.Data_atom
      _SPARTA_output.Data_num_shifts
      _SPARTA_output.Data_value
      _SPARTA_output.Data_low_range
      _SPARTA_output.Data_high_range
      _SPARTA_output.Entry_ID

          1   1   1  "Average  Difference"    N      0     0.000   0.000   0.000  17731
          2   1   1  "Average  Difference"   HA     35     0.338  -0.103   0.326  17731
          3   1   1  "Average  Difference"    C      0     0.000   0.000   0.000  17731
          4   1   1  "Average  Difference"   CA      0     0.000   0.000   0.000  17731
          5   1   1  "Average  Difference"   CB      0     0.000   0.000   0.000  17731
          6   1   1  "Average  Difference"   HN     27     0.439  -0.080   0.440  17731
          7   1   2  "Average  Difference"    N      0     0.000   0.000   0.000  17731
          8   1   2  "Average  Difference"   HA     35     0.374  -0.096   0.367  17731
          9   1   2  "Average  Difference"    C      0     0.000   0.000   0.000  17731
         10   1   2  "Average  Difference"   CA      0     0.000   0.000   0.000  17731
         11   1   2  "Average  Difference"   CB      0     0.000   0.000   0.000  17731
         12   1   2  "Average  Difference"   HN     27     0.428   0.025   0.436  17731
         13   1   3  "Average  Difference"    N      0     0.000   0.000   0.000  17731
         14   1   3  "Average  Difference"   HA     35     0.365  -0.133   0.345  17731
         15   1   3  "Average  Difference"    C      0     0.000   0.000   0.000  17731
         16   1   3  "Average  Difference"   CA      0     0.000   0.000   0.000  17731
         17   1   3  "Average  Difference"   CB      0     0.000   0.000   0.000  17731
         18   1   3  "Average  Difference"   HN     27     0.400  -0.003   0.408  17731
         19   1   4  "Average  Difference"    N      0     0.000   0.000   0.000  17731
         20   1   4  "Average  Difference"   HA     35     0.361  -0.081   0.357  17731
         21   1   4  "Average  Difference"    C      0     0.000   0.000   0.000  17731
         22   1   4  "Average  Difference"   CA      0     0.000   0.000   0.000  17731
         23   1   4  "Average  Difference"   CB      0     0.000   0.000   0.000  17731
         24   1   4  "Average  Difference"   HN     27     0.436  -0.075   0.438  17731
         25   1   5  "Average  Difference"    N      0     0.000   0.000   0.000  17731
         26   1   5  "Average  Difference"   HA     35     0.360  -0.122   0.343  17731
         27   1   5  "Average  Difference"    C      0     0.000   0.000   0.000  17731
         28   1   5  "Average  Difference"   CA      0     0.000   0.000   0.000  17731
         29   1   5  "Average  Difference"   CB      0     0.000   0.000   0.000  17731
         30   1   5  "Average  Difference"   HN     27     0.542  -0.054   0.550  17731
         31   1   6  "Average  Difference"    N      0     0.000   0.000   0.000  17731
         32   1   6  "Average  Difference"   HA     35     0.395  -0.181   0.356  17731
         33   1   6  "Average  Difference"    C      0     0.000   0.000   0.000  17731
         34   1   6  "Average  Difference"   CA      0     0.000   0.000   0.000  17731
         35   1   6  "Average  Difference"   CB      0     0.000   0.000   0.000  17731
         36   1   6  "Average  Difference"   HN     27     0.457  -0.015   0.465  17731
         37   1   7  "Average  Difference"    N      0     0.000   0.000   0.000  17731
         38   1   7  "Average  Difference"   HA     35     0.325  -0.036   0.328  17731
         39   1   7  "Average  Difference"    C      0     0.000   0.000   0.000  17731
         40   1   7  "Average  Difference"   CA      0     0.000   0.000   0.000  17731
         41   1   7  "Average  Difference"   CB      0     0.000   0.000   0.000  17731
         42   1   7  "Average  Difference"   HN     27     0.484  -0.107   0.481  17731
         43   1   8  "Average  Difference"    N      0     0.000   0.000   0.000  17731
         44   1   8  "Average  Difference"   HA     35     0.346  -0.046   0.348  17731
         45   1   8  "Average  Difference"    C      0     0.000   0.000   0.000  17731
         46   1   8  "Average  Difference"   CA      0     0.000   0.000   0.000  17731
         47   1   8  "Average  Difference"   CB      0     0.000   0.000   0.000  17731
         48   1   8  "Average  Difference"   HN     27     0.568  -0.077   0.573  17731
         49   1   9  "Average  Difference"    N      0     0.000   0.000   0.000  17731
         50   1   9  "Average  Difference"   HA     35     0.372  -0.042   0.375  17731
         51   1   9  "Average  Difference"    C      0     0.000   0.000   0.000  17731
         52   1   9  "Average  Difference"   CA      0     0.000   0.000   0.000  17731
         53   1   9  "Average  Difference"   CB      0     0.000   0.000   0.000  17731
         54   1   9  "Average  Difference"   HN     27     0.527  -0.061   0.534  17731
         55   1  10  "Average  Difference"    N      0     0.000   0.000   0.000  17731
         56   1  10  "Average  Difference"   HA     35     0.360  -0.121   0.344  17731
         57   1  10  "Average  Difference"    C      0     0.000   0.000   0.000  17731
         58   1  10  "Average  Difference"   CA      0     0.000   0.000   0.000  17731
         59   1  10  "Average  Difference"   CB      0     0.000   0.000   0.000  17731
         60   1  10  "Average  Difference"   HN     27     0.477  -0.027   0.485  17731
         61   1  11  "Average  Difference"    N      0     0.000   0.000   0.000  17731
         62   1  11  "Average  Difference"   HA     35     0.309  -0.102   0.296  17731
         63   1  11  "Average  Difference"    C      0     0.000   0.000   0.000  17731
         64   1  11  "Average  Difference"   CA      0     0.000   0.000   0.000  17731
         65   1  11  "Average  Difference"   CB      0     0.000   0.000   0.000  17731
         66   1  11  "Average  Difference"   HN     27     0.529  -0.086   0.532  17731
         67   1  12  "Average  Difference"    N      0     0.000   0.000   0.000  17731
         68   1  12  "Average  Difference"   HA     35     0.326  -0.096   0.316  17731
         69   1  12  "Average  Difference"    C      0     0.000   0.000   0.000  17731
         70   1  12  "Average  Difference"   CA      0     0.000   0.000   0.000  17731
         71   1  12  "Average  Difference"   CB      0     0.000   0.000   0.000  17731
         72   1  12  "Average  Difference"   HN     27     0.478  -0.056   0.484  17731
         73   1  13  "Average  Difference"    N      0     0.000   0.000   0.000  17731
         74   1  13  "Average  Difference"   HA     35     0.339  -0.103   0.327  17731
         75   1  13  "Average  Difference"    C      0     0.000   0.000   0.000  17731
         76   1  13  "Average  Difference"   CA      0     0.000   0.000   0.000  17731
         77   1  13  "Average  Difference"   CB      0     0.000   0.000   0.000  17731
         78   1  13  "Average  Difference"   HN     27     0.472  -0.090   0.472  17731
         79   1  14  "Average  Difference"    N      0     0.000   0.000   0.000  17731
         80   1  14  "Average  Difference"   HA     35     0.287  -0.063   0.284  17731
         81   1  14  "Average  Difference"    C      0     0.000   0.000   0.000  17731
         82   1  14  "Average  Difference"   CA      0     0.000   0.000   0.000  17731
         83   1  14  "Average  Difference"   CB      0     0.000   0.000   0.000  17731
         84   1  14  "Average  Difference"   HN     27     0.507  -0.022   0.516  17731
         85   1  15  "Average  Difference"    N      0     0.000   0.000   0.000  17731
         86   1  15  "Average  Difference"   HA     35     0.321  -0.082   0.315  17731
         87   1  15  "Average  Difference"    C      0     0.000   0.000   0.000  17731
         88   1  15  "Average  Difference"   CA      0     0.000   0.000   0.000  17731
         89   1  15  "Average  Difference"   CB      0     0.000   0.000   0.000  17731
         90   1  15  "Average  Difference"   HN     27     0.538  -0.011   0.548  17731
         91   1  16  "Average  Difference"    N      0     0.000   0.000   0.000  17731
         92   1  16  "Average  Difference"   HA     35     0.343  -0.111   0.329  17731
         93   1  16  "Average  Difference"    C      0     0.000   0.000   0.000  17731
         94   1  16  "Average  Difference"   CA      0     0.000   0.000   0.000  17731
         95   1  16  "Average  Difference"   CB      0     0.000   0.000   0.000  17731
         96   1  16  "Average  Difference"   HN     27     0.388  -0.057   0.391  17731
         97   1  17  "Average  Difference"    N      0     0.000   0.000   0.000  17731
         98   1  17  "Average  Difference"   HA     35     0.337  -0.098   0.328  17731
         99   1  17  "Average  Difference"    C      0     0.000   0.000   0.000  17731
        100   1  17  "Average  Difference"   CA      0     0.000   0.000   0.000  17731
        101   1  17  "Average  Difference"   CB      0     0.000   0.000   0.000  17731
        102   1  17  "Average  Difference"   HN     27     0.510  -0.053   0.517  17731
        103   1  18  "Average  Difference"    N      0     0.000   0.000   0.000  17731
        104   1  18  "Average  Difference"   HA     35     0.376  -0.099   0.368  17731
        105   1  18  "Average  Difference"    C      0     0.000   0.000   0.000  17731
        106   1  18  "Average  Difference"   CA      0     0.000   0.000   0.000  17731
        107   1  18  "Average  Difference"   CB      0     0.000   0.000   0.000  17731
        108   1  18  "Average  Difference"   HN     27     0.456  -0.108   0.451  17731
        109   1  19  "Average  Difference"    N      0     0.000   0.000   0.000  17731
        110   1  19  "Average  Difference"   HA     35     0.331  -0.096   0.321  17731
        111   1  19  "Average  Difference"    C      0     0.000   0.000   0.000  17731
        112   1  19  "Average  Difference"   CA      0     0.000   0.000   0.000  17731
        113   1  19  "Average  Difference"   CB      0     0.000   0.000   0.000  17731
        114   1  19  "Average  Difference"   HN     27     0.518  -0.034   0.527  17731
        115   1  20  "Average  Difference"    N      0     0.000   0.000   0.000  17731
        116   1  20  "Average  Difference"   HA     35     0.347  -0.057   0.347  17731
        117   1  20  "Average  Difference"    C      0     0.000   0.000   0.000  17731
        118   1  20  "Average  Difference"   CA      0     0.000   0.000   0.000  17731
        119   1  20  "Average  Difference"   CB      0     0.000   0.000   0.000  17731
        120   1  20  "Average  Difference"   HN     27     0.545  -0.159   0.532  17731
   stop_

save_


save_delta_chem_shifts_average

   _Entity_delta_chem_shifts.Sf_category         delta_chem_shifts
   _Entity_delta_chem_shifts.Sf_framecode        delta_chem_shifts_average
   _Entity_delta_chem_shifts.Model_type          average
   _Entity_delta_chem_shifts.Entry_ID            17731
   _Entity_delta_chem_shifts.ID                  2
   _Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;

   loop_
      _Delta_CS.Atom_chem_shift_ID
      _Delta_CS.Entity_delta_chem_shifts_ID
      _Delta_CS.Assembly_atom_ID
      _Delta_CS.Entity_assembly_ID
      _Delta_CS.Entity_ID
      _Delta_CS.Comp_index_ID
      _Delta_CS.Seq_ID
      _Delta_CS.Comp_ID
      _Delta_CS.Atom_ID
      _Delta_CS.Atom_type
      _Delta_CS.Auth_seq_ID
      _Delta_CS.Original_CS_value
      _Delta_CS.Corrected_CS_value
      _Delta_CS.Sparta_CS_value		
      _Delta_CS.Delta_CS_value
      _Delta_CS.Entry_ID

           1   1   .   1   1    2    2   LEU   HA   H   2     4.355     4.355     4.345    0.010   17731
           2   1   .   1   1    3    3   LEU   HA   H   3     4.406     4.406     4.436   -0.030   17731
           3   1   .   1   1    3    3   LEU    H   H   3     8.341     8.341     7.930    0.411   17731
           4   1   .   1   1    4    4   CYS   HA   H   4     5.096     5.096     4.222    0.874   17731
           5   1   .   1   1    4    4   CYS    H   H   4     7.946     7.946     8.243   -0.297   17731
           6   1   .   1   1    5    5   TYR   HA   H   5     4.836     4.836     4.970   -0.134   17731
           7   1   .   1   1    5    5   TYR    H   H   5     8.663     8.663     8.506    0.157   17731
           8   1   .   1   1    6    6   CYS   HA   H   6     5.781     5.781     5.450    0.331   17731
           9   1   .   1   1    6    6   CYS    H   H   6     8.942     8.942     9.108   -0.166   17731
          10   1   .   1   1    7    7   ARG   HA   H   7     4.738     4.738     4.781   -0.043   17731
          11   1   .   1   1    7    7   ARG    H   H   7     9.828     9.828     9.254    0.574   17731
          12   1   .   1   1    8    8   LYS   HA   H   8     3.882     3.882     3.635    0.247   17731
          13   1   .   1   1    8    8   LYS    H   H   8     8.639     8.639     8.587    0.052   17731
          14   1   .   1   1    9    9   GLY    H   H   9     8.781     8.781     8.083    0.698   17731
          15   1   .   1   1   10   10   HIS   HA   H  10     4.545     4.545     4.658   -0.113   17731
          16   1   .   1   1   10   10   HIS    H   H  10     8.076     8.076     8.329   -0.253   17731
          17   1   .   1   1   11   11   CYS   HA   H  11     4.842     4.842     4.332    0.510   17731
          18   1   .   1   1   11   11   CYS    H   H  11     8.854     8.854     8.479    0.375   17731
          19   1   .   1   1   12   12   LYS   HA   H  12     4.340     4.340     4.385   -0.045   17731
          20   1   .   1   1   12   12   LYS    H   H  12     7.967     7.967     8.536   -0.569   17731
          21   1   .   1   1   13   13   ARG   HA   H  13     4.048     4.048     4.028    0.020   17731
          22   1   .   1   1   13   13   ARG    H   H  13     8.470     8.470     8.847   -0.377   17731
          23   1   .   1   1   15   15   GLY    H   H  15     8.385     8.385     8.173    0.212   17731
          24   1   .   1   1   16   16   ARG   HA   H  16     4.701     4.701     4.541    0.160   17731
          25   1   .   1   1   16   16   ARG    H   H  16     8.855     8.855     8.231    0.624   17731
          26   1   .   1   1   17   17   VAL   HA   H  17     4.065     4.065     3.941    0.124   17731
          27   1   .   1   1   17   17   VAL    H   H  17     8.749     8.749     8.251    0.498   17731
          28   1   .   1   1   18   18   ARG   HA   H  18     4.700     4.700     4.560    0.140   17731
          29   1   .   1   1   18   18   ARG    H   H  18     9.500     9.500     9.090    0.410   17731
          30   1   .   1   1   19   19   GLY    H   H  19     7.821     7.821     7.840   -0.019   17731
          31   1   .   1   1   20   20   THR   HA   H  20     5.065     5.065     4.713    0.352   17731
          32   1   .   1   1   20   20   THR    H   H  20     8.608     8.608     8.195    0.412   17731
          33   1   .   1   1   21   21   CYS   HA   H  21     4.874     4.874     4.701    0.173   17731
          34   1   .   1   1   21   21   CYS    H   H  21     8.159     8.159     8.829   -0.670   17731
          35   1   .   1   1   22   22   GLY    H   H  22     8.319     8.319     7.952    0.367   17731
          36   1   .   1   1   23   23   ILE   HA   H  23     4.028     4.028     4.275   -0.247   17731
          37   1   .   1   1   23   23   ILE    H   H  23     8.145     8.145     8.250   -0.105   17731
          38   1   .   1   1   24   24   ARG   HA   H  24     3.991     3.991     4.085   -0.094   17731
          39   1   .   1   1   24   24   ARG    H   H  24     8.457     8.457     8.775   -0.318   17731
          40   1   .   1   1   25   25   PHE   HA   H  25     4.904     4.904     4.877    0.027   17731
          41   1   .   1   1   25   25   PHE    H   H  25     7.854     7.854     7.849    0.005   17731
          42   1   .   1   1   26   26   LEU   HA   H  26     4.635     4.635     4.760   -0.125   17731
          43   1   .   1   1   26   26   LEU    H   H  26     8.983     8.983     9.263   -0.280   17731
          44   1   .   1   1   27   27   TYR   HA   H  27     4.959     4.959     5.010   -0.051   17731
          45   1   .   1   1   27   27   TYR    H   H  27     8.222     8.222     9.029   -0.807   17731
          46   1   .   1   1   28   28   CYS   HA   H  28     4.979     4.979     4.969    0.010   17731
          47   1   .   1   1   28   28   CYS    H   H  28     8.768     8.768     8.614    0.154   17731
          48   1   .   1   1   29   29   CYS   HA   H  29     5.059     5.059     4.499    0.560   17731
          49   1   .   1   1   29   29   CYS    H   H  29     8.878     8.878     8.668    0.210   17731
          50   1   .   1   1   30   30   PRO   HA   H  30     4.716     4.716     4.437    0.279   17731
          51   1   .   1   1   31   31   ARG   HA   H  31     4.103     4.103     4.365   -0.262   17731
          52   1   .   1   1   31   31   ARG    H   H  31     8.429     8.429     8.174    0.255   17731
   stop_

save_