data_25558

save_entry_information
   _Entry.Sf_category                            entry_information
   _Entry.NMR_STAR_version                       3.0.9.13
   _Entry.Entry_ID                               25558
   _Entry.PDB_ID                                 2N1E
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            25558
   _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    8    8   LYS    N   N   8   125.300   125.300  128.500   -3.200  25558
           2   1    1   .   1   1    8    8   LYS    C   C   8   174.200   174.200  175.254   -1.054  25558
           3   1    1   .   1   1    8    8   LYS   CA   C   8    54.400    54.400   55.342   -0.942  25558
           4   1    1   .   1   1    8    8   LYS   CB   C   8    36.000    36.000   33.081    2.919  25558
           5   1    1   .   1   1   12   12   THR    N   N  12   118.100   118.100  116.230    1.870  25558
           6   1    1   .   1   1   12   12   THR    C   C  12   172.500   172.500  172.144    0.356  25558
           7   1    1   .   1   1   12   12   THR   CA   C  12    63.100    63.100   61.972    1.128  25558
           8   1    1   .   1   1   12   12   THR   CB   C  12    68.900    68.900   70.873   -1.973  25558
           9   1    1   .   1   1   13   13   LYS    C   C  13   174.200   174.200  174.744   -0.544  25558
          10   1    1   .   1   1   13   13   LYS   CA   C  13    54.400    54.400   54.994   -0.594  25558
          11   1    1   .   1   1   13   13   LYS   CB   C  13    36.000    36.000   35.408    0.592  25558
          12   1    2   .   1   1    8    8   LYS    N   N   8   125.300   125.300  127.793   -2.493  25558
          13   1    2   .   1   1    8    8   LYS    C   C   8   174.200   174.200  175.230   -1.030  25558
          14   1    2   .   1   1    8    8   LYS   CA   C   8    54.400    54.400   55.355   -0.955  25558
          15   1    2   .   1   1    8    8   LYS   CB   C   8    36.000    36.000   33.830    2.170  25558
          16   1    2   .   1   1   12   12   THR    N   N  12   118.100   118.100  116.387    1.713  25558
          17   1    2   .   1   1   12   12   THR    C   C  12   172.500   172.500  172.262    0.238  25558
          18   1    2   .   1   1   12   12   THR   CA   C  12    63.100    63.100   61.548    1.552  25558
          19   1    2   .   1   1   12   12   THR   CB   C  12    68.900    68.900   70.967   -2.067  25558
          20   1    2   .   1   1   13   13   LYS    C   C  13   174.200   174.200  174.079    0.121  25558
          21   1    2   .   1   1   13   13   LYS   CA   C  13    54.400    54.400   55.591   -1.191  25558
          22   1    2   .   1   1   13   13   LYS   CB   C  13    36.000    36.000   35.610    0.390  25558
          23   1    3   .   1   1    8    8   LYS    N   N   8   125.300   125.300  127.255   -1.955  25558
          24   1    3   .   1   1    8    8   LYS    C   C   8   174.200   174.200  175.075   -0.875  25558
          25   1    3   .   1   1    8    8   LYS   CA   C   8    54.400    54.400   55.057   -0.657  25558
          26   1    3   .   1   1    8    8   LYS   CB   C   8    36.000    36.000   34.568    1.432  25558
          27   1    3   .   1   1   12   12   THR    N   N  12   118.100   118.100  116.819    1.281  25558
          28   1    3   .   1   1   12   12   THR    C   C  12   172.500   172.500  172.347    0.153  25558
          29   1    3   .   1   1   12   12   THR   CA   C  12    63.100    63.100   61.788    1.312  25558
          30   1    3   .   1   1   12   12   THR   CB   C  12    68.900    68.900   70.816   -1.915  25558
          31   1    3   .   1   1   13   13   LYS    C   C  13   174.200   174.200  174.210   -0.010  25558
          32   1    3   .   1   1   13   13   LYS   CA   C  13    54.400    54.400   55.226   -0.826  25558
          33   1    3   .   1   1   13   13   LYS   CB   C  13    36.000    36.000   35.585    0.415  25558
          34   1    4   .   1   1    8    8   LYS    N   N   8   125.300   125.300  126.978   -1.678  25558
          35   1    4   .   1   1    8    8   LYS    C   C   8   174.200   174.200  175.397   -1.197  25558
          36   1    4   .   1   1    8    8   LYS   CA   C   8    54.400    54.400   55.053   -0.653  25558
          37   1    4   .   1   1    8    8   LYS   CB   C   8    36.000    36.000   34.423    1.577  25558
          38   1    4   .   1   1   12   12   THR    N   N  12   118.100   118.100  117.083    1.017  25558
          39   1    4   .   1   1   12   12   THR    C   C  12   172.500   172.500  172.486    0.014  25558
          40   1    4   .   1   1   12   12   THR   CA   C  12    63.100    63.100   61.798    1.302  25558
          41   1    4   .   1   1   12   12   THR   CB   C  12    68.900    68.900   71.190   -2.290  25558
          42   1    4   .   1   1   13   13   LYS    C   C  13   174.200   174.200  174.514   -0.314  25558
          43   1    4   .   1   1   13   13   LYS   CA   C  13    54.400    54.400   55.061   -0.661  25558
          44   1    4   .   1   1   13   13   LYS   CB   C  13    36.000    36.000   35.542    0.458  25558
          45   1    5   .   1   1    8    8   LYS    N   N   8   125.300   125.300  126.945   -1.645  25558
          46   1    5   .   1   1    8    8   LYS    C   C   8   174.200   174.200  175.269   -1.069  25558
          47   1    5   .   1   1    8    8   LYS   CA   C   8    54.400    54.400   55.240   -0.840  25558
          48   1    5   .   1   1    8    8   LYS   CB   C   8    36.000    36.000   34.305    1.695  25558
          49   1    5   .   1   1   12   12   THR    N   N  12   118.100   118.100  116.145    1.955  25558
          50   1    5   .   1   1   12   12   THR    C   C  12   172.500   172.500  172.127    0.373  25558
          51   1    5   .   1   1   12   12   THR   CA   C  12    63.100    63.100   62.135    0.965  25558
          52   1    5   .   1   1   12   12   THR   CB   C  12    68.900    68.900   70.693   -1.793  25558
          53   1    5   .   1   1   13   13   LYS    C   C  13   174.200   174.200  174.325   -0.125  25558
          54   1    5   .   1   1   13   13   LYS   CA   C  13    54.400    54.400   55.345   -0.945  25558
          55   1    5   .   1   1   13   13   LYS   CB   C  13    36.000    36.000   35.624    0.376  25558
          56   1    6   .   1   1    8    8   LYS    N   N   8   125.300   125.300  127.056   -1.756  25558
          57   1    6   .   1   1    8    8   LYS    C   C   8   174.200   174.200  175.097   -0.897  25558
          58   1    6   .   1   1    8    8   LYS   CA   C   8    54.400    54.400   55.285   -0.885  25558
          59   1    6   .   1   1    8    8   LYS   CB   C   8    36.000    36.000   34.479    1.521  25558
          60   1    6   .   1   1   12   12   THR    N   N  12   118.100   118.100  116.790    1.310  25558
          61   1    6   .   1   1   12   12   THR    C   C  12   172.500   172.500  172.632   -0.132  25558
          62   1    6   .   1   1   12   12   THR   CA   C  12    63.100    63.100   61.774    1.326  25558
          63   1    6   .   1   1   12   12   THR   CB   C  12    68.900    68.900   70.860   -1.960  25558
          64   1    6   .   1   1   13   13   LYS    C   C  13   174.200   174.200  174.987   -0.787  25558
          65   1    6   .   1   1   13   13   LYS   CA   C  13    54.400    54.400   55.006   -0.606  25558
          66   1    6   .   1   1   13   13   LYS   CB   C  13    36.000    36.000   35.009    0.991  25558
          67   1    7   .   1   1    8    8   LYS    N   N   8   125.300   125.300  127.365   -2.065  25558
          68   1    7   .   1   1    8    8   LYS    C   C   8   174.200   174.200  175.435   -1.235  25558
          69   1    7   .   1   1    8    8   LYS   CA   C   8    54.400    54.400   55.512   -1.112  25558
          70   1    7   .   1   1    8    8   LYS   CB   C   8    36.000    36.000   33.876    2.124  25558
          71   1    7   .   1   1   12   12   THR    N   N  12   118.100   118.100  116.449    1.651  25558
          72   1    7   .   1   1   12   12   THR    C   C  12   172.500   172.500  172.245    0.255  25558
          73   1    7   .   1   1   12   12   THR   CA   C  12    63.100    63.100   62.042    1.058  25558
          74   1    7   .   1   1   12   12   THR   CB   C  12    68.900    68.900   71.479   -2.579  25558
          75   1    7   .   1   1   13   13   LYS    C   C  13   174.200   174.200  174.747   -0.547  25558
          76   1    7   .   1   1   13   13   LYS   CA   C  13    54.400    54.400   55.108   -0.708  25558
          77   1    7   .   1   1   13   13   LYS   CB   C  13    36.000    36.000   35.338    0.662  25558
          78   1    8   .   1   1    8    8   LYS    N   N   8   125.300   125.300  127.941   -2.641  25558
          79   1    8   .   1   1    8    8   LYS    C   C   8   174.200   174.200  175.158   -0.958  25558
          80   1    8   .   1   1    8    8   LYS   CA   C   8    54.400    54.400   54.902   -0.502  25558
          81   1    8   .   1   1    8    8   LYS   CB   C   8    36.000    36.000   34.181    1.819  25558
          82   1    8   .   1   1   12   12   THR    N   N  12   118.100   118.100  116.365    1.735  25558
          83   1    8   .   1   1   12   12   THR    C   C  12   172.500   172.500  172.467    0.033  25558
          84   1    8   .   1   1   12   12   THR   CA   C  12    63.100    63.100   61.310    1.790  25558
          85   1    8   .   1   1   12   12   THR   CB   C  12    68.900    68.900   71.270   -2.370  25558
          86   1    8   .   1   1   13   13   LYS    C   C  13   174.200   174.200  175.038   -0.838  25558
          87   1    8   .   1   1   13   13   LYS   CA   C  13    54.400    54.400   54.974   -0.574  25558
          88   1    8   .   1   1   13   13   LYS   CB   C  13    36.000    36.000   35.885    0.115  25558
          89   1    9   .   1   1    8    8   LYS    N   N   8   125.300   125.300  128.006   -2.706  25558
          90   1    9   .   1   1    8    8   LYS    C   C   8   174.200   174.200  175.526   -1.326  25558
          91   1    9   .   1   1    8    8   LYS   CA   C   8    54.400    54.400   54.622   -0.222  25558
          92   1    9   .   1   1    8    8   LYS   CB   C   8    36.000    36.000   34.123    1.877  25558
          93   1    9   .   1   1   12   12   THR    N   N  12   118.100   118.100  117.467    0.633  25558
          94   1    9   .   1   1   12   12   THR    C   C  12   172.500   172.500  172.450    0.050  25558
          95   1    9   .   1   1   12   12   THR   CA   C  12    63.100    63.100   61.596    1.504  25558
          96   1    9   .   1   1   12   12   THR   CB   C  12    68.900    68.900   70.997   -2.097  25558
          97   1    9   .   1   1   13   13   LYS    C   C  13   174.200   174.200  175.152   -0.952  25558
          98   1    9   .   1   1   13   13   LYS   CA   C  13    54.400    54.400   54.907   -0.507  25558
          99   1    9   .   1   1   13   13   LYS   CB   C  13    36.000    36.000   35.316    0.684  25558
         100   1   10   .   1   1    8    8   LYS    N   N   8   125.300   125.300  128.270   -2.970  25558
         101   1   10   .   1   1    8    8   LYS    C   C   8   174.200   174.200  175.091   -0.891  25558
         102   1   10   .   1   1    8    8   LYS   CA   C   8    54.400    54.400   54.820   -0.420  25558
         103   1   10   .   1   1    8    8   LYS   CB   C   8    36.000    36.000   33.950    2.050  25558
         104   1   10   .   1   1   12   12   THR    N   N  12   118.100   118.100  118.077    0.023  25558
         105   1   10   .   1   1   12   12   THR    C   C  12   172.500   172.500  172.733   -0.233  25558
         106   1   10   .   1   1   12   12   THR   CA   C  12    63.100    63.100   61.624    1.476  25558
         107   1   10   .   1   1   12   12   THR   CB   C  12    68.900    68.900   70.057   -1.157  25558
         108   1   10   .   1   1   13   13   LYS    C   C  13   174.200   174.200  174.856   -0.656  25558
         109   1   10   .   1   1   13   13   LYS   CA   C  13    54.400    54.400   54.653   -0.253  25558
         110   1   10   .   1   1   13   13   LYS   CB   C  13    36.000    36.000   35.388    0.612  25558
         111   1   11   .   1   1    8    8   LYS    N   N   8   125.300   125.300  128.555   -3.255  25558
         112   1   11   .   1   1    8    8   LYS    C   C   8   174.200   174.200  175.267   -1.067  25558
         113   1   11   .   1   1    8    8   LYS   CA   C   8    54.400    54.400   55.139   -0.739  25558
         114   1   11   .   1   1    8    8   LYS   CB   C   8    36.000    36.000   33.776    2.224  25558
         115   1   11   .   1   1   12   12   THR    N   N  12   118.100   118.100  117.523    0.577  25558
         116   1   11   .   1   1   12   12   THR    C   C  12   172.500   172.500  172.637   -0.137  25558
         117   1   11   .   1   1   12   12   THR   CA   C  12    63.100    63.100   61.948    1.152  25558
         118   1   11   .   1   1   12   12   THR   CB   C  12    68.900    68.900   70.589   -1.689  25558
         119   1   11   .   1   1   13   13   LYS    C   C  13   174.200   174.200  175.169   -0.969  25558
         120   1   11   .   1   1   13   13   LYS   CA   C  13    54.400    54.400   54.806   -0.406  25558
         121   1   11   .   1   1   13   13   LYS   CB   C  13    36.000    36.000   34.822    1.178  25558
         122   1   12   .   1   1    8    8   LYS    N   N   8   125.300   125.300  127.919   -2.619  25558
         123   1   12   .   1   1    8    8   LYS    C   C   8   174.200   174.200  175.000   -0.800  25558
         124   1   12   .   1   1    8    8   LYS   CA   C   8    54.400    54.400   55.258   -0.858  25558
         125   1   12   .   1   1    8    8   LYS   CB   C   8    36.000    36.000   34.455    1.545  25558
         126   1   12   .   1   1   12   12   THR    N   N  12   118.100   118.100  118.113   -0.013  25558
         127   1   12   .   1   1   12   12   THR    C   C  12   172.500   172.500  172.988   -0.488  25558
         128   1   12   .   1   1   12   12   THR   CA   C  12    63.100    63.100   61.711    1.389  25558
         129   1   12   .   1   1   12   12   THR   CB   C  12    68.900    68.900   70.135   -1.235  25558
         130   1   12   .   1   1   13   13   LYS    C   C  13   174.200   174.200  174.638   -0.438  25558
         131   1   12   .   1   1   13   13   LYS   CA   C  13    54.400    54.400   54.645   -0.245  25558
         132   1   12   .   1   1   13   13   LYS   CB   C  13    36.000    36.000   35.458    0.542  25558
         133   1   13   .   1   1    8    8   LYS    N   N   8   125.300   125.300  127.681   -2.381  25558
         134   1   13   .   1   1    8    8   LYS    C   C   8   174.200   174.200  174.882   -0.682  25558
         135   1   13   .   1   1    8    8   LYS   CA   C   8    54.400    54.400   55.191   -0.791  25558
         136   1   13   .   1   1    8    8   LYS   CB   C   8    36.000    36.000   34.185    1.815  25558
         137   1   13   .   1   1   12   12   THR    N   N  12   118.100   118.100  117.195    0.905  25558
         138   1   13   .   1   1   12   12   THR    C   C  12   172.500   172.500  172.663   -0.163  25558
         139   1   13   .   1   1   12   12   THR   CA   C  12    63.100    63.100   61.505    1.595  25558
         140   1   13   .   1   1   12   12   THR   CB   C  12    68.900    68.900   70.524   -1.624  25558
         141   1   13   .   1   1   13   13   LYS    C   C  13   174.200   174.200  174.624   -0.424  25558
         142   1   13   .   1   1   13   13   LYS   CA   C  13    54.400    54.400   55.288   -0.888  25558
         143   1   13   .   1   1   13   13   LYS   CB   C  13    36.000    36.000   35.676    0.324  25558
         144   1   14   .   1   1    8    8   LYS    N   N   8   125.300   125.300  128.315   -3.015  25558
         145   1   14   .   1   1    8    8   LYS    C   C   8   174.200   174.200  175.081   -0.881  25558
         146   1   14   .   1   1    8    8   LYS   CA   C   8    54.400    54.400   54.917   -0.517  25558
         147   1   14   .   1   1    8    8   LYS   CB   C   8    36.000    36.000   34.223    1.777  25558
         148   1   14   .   1   1   12   12   THR    N   N  12   118.100   118.100  117.426    0.674  25558
         149   1   14   .   1   1   12   12   THR    C   C  12   172.500   172.500  172.720   -0.220  25558
         150   1   14   .   1   1   12   12   THR   CA   C  12    63.100    63.100   61.233    1.867  25558
         151   1   14   .   1   1   12   12   THR   CB   C  12    68.900    68.900   70.678   -1.778  25558
         152   1   14   .   1   1   13   13   LYS    C   C  13   174.200   174.200  174.477   -0.277  25558
         153   1   14   .   1   1   13   13   LYS   CA   C  13    54.400    54.400   55.062   -0.662  25558
         154   1   14   .   1   1   13   13   LYS   CB   C  13    36.000    36.000   36.014   -0.014  25558
         155   1   15   .   1   1    8    8   LYS    N   N   8   125.300   125.300  127.935   -2.635  25558
         156   1   15   .   1   1    8    8   LYS    C   C   8   174.200   174.200  175.314   -1.114  25558
         157   1   15   .   1   1    8    8   LYS   CA   C   8    54.400    54.400   55.262   -0.862  25558
         158   1   15   .   1   1    8    8   LYS   CB   C   8    36.000    36.000   33.758    2.242  25558
         159   1   15   .   1   1   12   12   THR    N   N  12   118.100   118.100  117.610    0.490  25558
         160   1   15   .   1   1   12   12   THR    C   C  12   172.500   172.500  172.829   -0.329  25558
         161   1   15   .   1   1   12   12   THR   CA   C  12    63.100    63.100   61.475    1.625  25558
         162   1   15   .   1   1   12   12   THR   CB   C  12    68.900    68.900   70.206   -1.306  25558
         163   1   15   .   1   1   13   13   LYS    C   C  13   174.200   174.200  175.042   -0.842  25558
         164   1   15   .   1   1   13   13   LYS   CA   C  13    54.400    54.400   55.058   -0.658  25558
         165   1   15   .   1   1   13   13   LYS   CB   C  13    36.000    36.000   35.395    0.605  25558
         166   1   16   .   1   1    8    8   LYS    N   N   8   125.300   125.300  128.601   -3.301  25558
         167   1   16   .   1   1    8    8   LYS    C   C   8   174.200   174.200  175.333   -1.133  25558
         168   1   16   .   1   1    8    8   LYS   CA   C   8    54.400    54.400   56.111   -1.711  25558
         169   1   16   .   1   1    8    8   LYS   CB   C   8    36.000    36.000   32.988    3.012  25558
         170   1   16   .   1   1   12   12   THR    N   N  12   118.100   118.100  117.184    0.916  25558
         171   1   16   .   1   1   12   12   THR    C   C  12   172.500   172.500  172.459    0.041  25558
         172   1   16   .   1   1   12   12   THR   CA   C  12    63.100    63.100   61.806    1.294  25558
         173   1   16   .   1   1   12   12   THR   CB   C  12    68.900    68.900   71.171   -2.271  25558
         174   1   16   .   1   1   13   13   LYS    C   C  13   174.200   174.200  174.952   -0.752  25558
         175   1   16   .   1   1   13   13   LYS   CA   C  13    54.400    54.400   54.528   -0.128  25558
         176   1   16   .   1   1   13   13   LYS   CB   C  13    36.000    36.000   35.772    0.228  25558
         177   1   17   .   1   1    8    8   LYS    N   N   8   125.300   125.300  126.559   -1.259  25558
         178   1   17   .   1   1    8    8   LYS    C   C   8   174.200   174.200  174.838   -0.638  25558
         179   1   17   .   1   1    8    8   LYS   CA   C   8    54.400    54.400   55.220   -0.820  25558
         180   1   17   .   1   1    8    8   LYS   CB   C   8    36.000    36.000   34.720    1.280  25558
         181   1   17   .   1   1   12   12   THR    N   N  12   118.100   118.100  116.661    1.439  25558
         182   1   17   .   1   1   12   12   THR    C   C  12   172.500   172.500  172.369    0.131  25558
         183   1   17   .   1   1   12   12   THR   CA   C  12    63.100    63.100   61.909    1.191  25558
         184   1   17   .   1   1   12   12   THR   CB   C  12    68.900    68.900   71.131   -2.231  25558
         185   1   17   .   1   1   13   13   LYS    C   C  13   174.200   174.200  174.801   -0.601  25558
         186   1   17   .   1   1   13   13   LYS   CA   C  13    54.400    54.400   54.653   -0.252  25558
         187   1   17   .   1   1   13   13   LYS   CB   C  13    36.000    36.000   35.788    0.212  25558
         188   1   18   .   1   1    8    8   LYS    N   N   8   125.300   125.300  128.816   -3.516  25558
         189   1   18   .   1   1    8    8   LYS    C   C   8   174.200   174.200  175.279   -1.079  25558
         190   1   18   .   1   1    8    8   LYS   CA   C   8    54.400    54.400   55.547   -1.147  25558
         191   1   18   .   1   1    8    8   LYS   CB   C   8    36.000    36.000   33.069    2.931  25558
         192   1   18   .   1   1   12   12   THR    N   N  12   118.100   118.100  117.368    0.732  25558
         193   1   18   .   1   1   12   12   THR    C   C  12   172.500   172.500  172.145    0.355  25558
         194   1   18   .   1   1   12   12   THR   CA   C  12    63.100    63.100   61.852    1.248  25558
         195   1   18   .   1   1   12   12   THR   CB   C  12    68.900    68.900   70.941   -2.041  25558
         196   1   18   .   1   1   13   13   LYS    C   C  13   174.200   174.200  175.007   -0.807  25558
         197   1   18   .   1   1   13   13   LYS   CA   C  13    54.400    54.400   54.892   -0.491  25558
         198   1   18   .   1   1   13   13   LYS   CB   C  13    36.000    36.000   35.697    0.304  25558
         199   1   19   .   1   1    8    8   LYS    N   N   8   125.300   125.300  128.062   -2.762  25558
         200   1   19   .   1   1    8    8   LYS    C   C   8   174.200   174.200  175.296   -1.096  25558
         201   1   19   .   1   1    8    8   LYS   CA   C   8    54.400    54.400   55.085   -0.685  25558
         202   1   19   .   1   1    8    8   LYS   CB   C   8    36.000    36.000   34.460    1.540  25558
         203   1   19   .   1   1   12   12   THR    N   N  12   118.100   118.100  116.896    1.204  25558
         204   1   19   .   1   1   12   12   THR    C   C  12   172.500   172.500  172.219    0.281  25558
         205   1   19   .   1   1   12   12   THR   CA   C  12    63.100    63.100   61.792    1.308  25558
         206   1   19   .   1   1   12   12   THR   CB   C  12    68.900    68.900   70.989   -2.089  25558
         207   1   19   .   1   1   13   13   LYS    C   C  13   174.200   174.200  174.722   -0.522  25558
         208   1   19   .   1   1   13   13   LYS   CA   C  13    54.400    54.400   55.101   -0.701  25558
         209   1   19   .   1   1   13   13   LYS   CB   C  13    36.000    36.000   35.666    0.334  25558
         210   1   20   .   1   1    8    8   LYS    N   N   8   125.300   125.300  129.602   -4.302  25558
         211   1   20   .   1   1    8    8   LYS    C   C   8   174.200   174.200  175.044   -0.844  25558
         212   1   20   .   1   1    8    8   LYS   CA   C   8    54.400    54.400   55.127   -0.727  25558
         213   1   20   .   1   1    8    8   LYS   CB   C   8    36.000    36.000   33.208    2.792  25558
         214   1   20   .   1   1   12   12   THR    N   N  12   118.100   118.100  117.318    0.782  25558
         215   1   20   .   1   1   12   12   THR    C   C  12   172.500   172.500  172.438    0.062  25558
         216   1   20   .   1   1   12   12   THR   CA   C  12    63.100    63.100   61.328    1.772  25558
         217   1   20   .   1   1   12   12   THR   CB   C  12    68.900    68.900   71.161   -2.261  25558
         218   1   20   .   1   1   13   13   LYS    C   C  13   174.200   174.200  174.751   -0.551  25558
         219   1   20   .   1   1   13   13   LYS   CA   C  13    54.400    54.400   54.901   -0.501  25558
         220   1   20   .   1   1   13   13   LYS   CB   C  13    36.000    36.000   35.384    0.616  25558
   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      2     2.621   0.665   3.585  25558
          2   1   1  "Average  Difference"   HA      0     0.000   0.000   0.000  25558
          3   1   1  "Average  Difference"    C      3     0.715   0.414   0.714  25558
          4   1   1  "Average  Difference"   CA      3     0.915   0.136   1.108  25558
          5   1   1  "Average  Difference"   CB      3     2.063  -0.513   2.447  25558
          6   1   1  "Average  Difference"   HN      0     0.000   0.000   0.000  25558
          7   1   2  "Average  Difference"    N      2     2.139   0.390   2.974  25558
          8   1   2  "Average  Difference"   HA      0     0.000   0.000   0.000  25558
          9   1   2  "Average  Difference"    C      3     0.614   0.224   0.701  25558
         10   1   2  "Average  Difference"   CA      3     1.257   0.198   1.520  25558
         11   1   2  "Average  Difference"   CB      3     1.745  -0.164   2.128  25558
         12   1   2  "Average  Difference"   HN      0     0.000   0.000   0.000  25558
         13   1   3  "Average  Difference"    N      2     1.653   0.337   2.288  25558
         14   1   3  "Average  Difference"   HA      0     0.000   0.000   0.000  25558
         15   1   3  "Average  Difference"    C      3     0.513   0.244   0.553  25558
         16   1   3  "Average  Difference"   CA      3     0.972   0.057   1.189  25558
         17   1   3  "Average  Difference"   CB      3     1.401   0.023   1.716  25558
         18   1   3  "Average  Difference"   HN      0     0.000   0.000   0.000  25558
         19   1   4  "Average  Difference"    N      2     1.387   0.330   1.906  25558
         20   1   4  "Average  Difference"   HA      0     0.000   0.000   0.000  25558
         21   1   4  "Average  Difference"    C      3     0.715   0.499   0.626  25558
         22   1   4  "Average  Difference"   CA      3     0.923   0.004   1.131  25558
         23   1   4  "Average  Difference"   CB      3     1.627   0.085   1.990  25558
         24   1   4  "Average  Difference"   HN      0     0.000   0.000   0.000  25558
         25   1   5  "Average  Difference"    N      2     1.807  -0.155   2.546  25558
         26   1   5  "Average  Difference"   HA      0     0.000   0.000   0.000  25558
         27   1   5  "Average  Difference"    C      3     0.658   0.274   0.732  25558
         28   1   5  "Average  Difference"   CA      3     0.918   0.273   1.074  25558
         29   1   5  "Average  Difference"   CB      3     1.441  -0.093   1.761  25558
         30   1   5  "Average  Difference"   HN      0     0.000   0.000   0.000  25558
         31   1   6  "Average  Difference"    N      2     1.549   0.223   2.168  25558
         32   1   6  "Average  Difference"   HA      0     0.000   0.000   0.000  25558
         33   1   6  "Average  Difference"    C      3     0.693   0.605   0.414  25558
         34   1   6  "Average  Difference"   CA      3     0.985   0.055   1.204  25558
         35   1   6  "Average  Difference"   CB      3     1.542  -0.184   1.875  25558
         36   1   6  "Average  Difference"   HN      0     0.000   0.000   0.000  25558
         37   1   7  "Average  Difference"    N      2     1.869   0.207   2.628  25558
         38   1   7  "Average  Difference"   HA      0     0.000   0.000   0.000  25558
         39   1   7  "Average  Difference"    C      3     0.794   0.509   0.746  25558
         40   1   7  "Average  Difference"   CA      3     0.976   0.254   1.154  25558
         41   1   7  "Average  Difference"   CB      3     1.967  -0.069   2.407  25558
         42   1   7  "Average  Difference"   HN      0     0.000   0.000   0.000  25558
         43   1   8  "Average  Difference"    N      2     2.234   0.453   3.094  25558
         44   1   8  "Average  Difference"   HA      0     0.000   0.000   0.000  25558
         45   1   8  "Average  Difference"    C      3     0.735   0.588   0.541  25558
         46   1   8  "Average  Difference"   CA      3     1.123  -0.238   1.345  25558
         47   1   8  "Average  Difference"   CB      3     1.726   0.146   2.107  25558
         48   1   8  "Average  Difference"   HN      0     0.000   0.000   0.000  25558
         49   1   9  "Average  Difference"    N      2     1.965   1.036   2.361  25558
         50   1   9  "Average  Difference"   HA      0     0.000   0.000   0.000  25558
         51   1   9  "Average  Difference"    C      3     0.943   0.743   0.711  25558
         52   1   9  "Average  Difference"   CA      3     0.925  -0.258   1.088  25558
         53   1   9  "Average  Difference"   CB      3     1.672  -0.155   2.039  25558
         54   1   9  "Average  Difference"   HN      0     0.000   0.000   0.000  25558
         55   1  10  "Average  Difference"    N      2     2.100   1.474   2.116  25558
         56   1  10  "Average  Difference"   HA      0     0.000   0.000   0.000  25558
         57   1  10  "Average  Difference"    C      3     0.653   0.593   0.333  25558
         58   1  10  "Average  Difference"   CA      3     0.898  -0.268   1.049  25558
         59   1  10  "Average  Difference"   CB      3     1.404  -0.502   1.606  25558
         60   1  10  "Average  Difference"   HN      0     0.000   0.000   0.000  25558
         61   1  11  "Average  Difference"    N      2     2.338   1.339   2.710  25558
         62   1  11  "Average  Difference"   HA      0     0.000   0.000   0.000  25558
         63   1  11  "Average  Difference"    C      3     0.836   0.724   0.511  25558
         64   1  11  "Average  Difference"   CA      3     0.824  -0.002   1.009  25558
         65   1  11  "Average  Difference"   CB      3     1.750  -0.571   2.026  25558
         66   1  11  "Average  Difference"   HN      0     0.000   0.000   0.000  25558
         67   1  12  "Average  Difference"    N      2     1.852   1.316   1.843  25558
         68   1  12  "Average  Difference"   HA      0     0.000   0.000   0.000  25558
         69   1  12  "Average  Difference"    C      3     0.597   0.575   0.196  25558
         70   1  12  "Average  Difference"   CA      3     0.953  -0.095   1.162  25558
         71   1  12  "Average  Difference"   CB      3     1.184  -0.284   1.408  25558
         72   1  12  "Average  Difference"   HN      0     0.000   0.000   0.000  25558
         73   1  13  "Average  Difference"    N      2     1.801   0.738   2.324  25558
         74   1  13  "Average  Difference"   HA      0     0.000   0.000   0.000  25558
         75   1  13  "Average  Difference"    C      3     0.473   0.423   0.260  25558
         76   1  13  "Average  Difference"   CA      3     1.149   0.028   1.407  25558
         77   1  13  "Average  Difference"   CB      3     1.418  -0.172   1.724  25558
         78   1  13  "Average  Difference"   HN      0     0.000   0.000   0.000  25558
         79   1  14  "Average  Difference"    N      2     2.185   1.171   2.609  25558
         80   1  14  "Average  Difference"   HA      0     0.000   0.000   0.000  25558
         81   1  14  "Average  Difference"    C      3     0.548   0.459   0.366  25558
         82   1  14  "Average  Difference"   CA      3     1.182  -0.230   1.420  25558
         83   1  14  "Average  Difference"   CB      3     1.451   0.005   1.778  25558
         84   1  14  "Average  Difference"   HN      0     0.000   0.000   0.000  25558
         85   1  15  "Average  Difference"    N      2     1.895   1.072   2.210  25558
         86   1  15  "Average  Difference"   HA      0     0.000   0.000   0.000  25558
         87   1  15  "Average  Difference"    C      3     0.828   0.762   0.399  25558
         88   1  15  "Average  Difference"   CA      3     1.128  -0.035   1.381  25558
         89   1  15  "Average  Difference"   CB      3     1.538  -0.514   1.776  25558
         90   1  15  "Average  Difference"   HN      0     0.000   0.000   0.000  25558
         91   1  16  "Average  Difference"    N      2     2.422   1.192   2.982  25558
         92   1  16  "Average  Difference"   HA      0     0.000   0.000   0.000  25558
         93   1  16  "Average  Difference"    C      3     0.785   0.615   0.599  25558
         94   1  16  "Average  Difference"   CA      3     1.241   0.182   1.503  25558
         95   1  16  "Average  Difference"   CB      3     2.182  -0.323   2.643  25558
         96   1  16  "Average  Difference"   HN      0     0.000   0.000   0.000  25558
         97   1  17  "Average  Difference"    N      2     1.352  -0.090   1.908  25558
         98   1  17  "Average  Difference"   HA      0     0.000   0.000   0.000  25558
         99   1  17  "Average  Difference"    C      3     0.512   0.369   0.434  25558
        100   1  17  "Average  Difference"   CA      3     0.848  -0.039   1.037  25558
        101   1  17  "Average  Difference"   CB      3     1.490   0.247   1.800  25558
        102   1  17  "Average  Difference"   HN      0     0.000   0.000   0.000  25558
        103   1  18  "Average  Difference"    N      2     2.539   1.392   3.004  25558
        104   1  18  "Average  Difference"   HA      0     0.000   0.000   0.000  25558
        105   1  18  "Average  Difference"    C      3     0.804   0.510   0.762  25558
        106   1  18  "Average  Difference"   CA      3     1.019   0.130   1.238  25558
        107   1  18  "Average  Difference"   CB      3     2.070  -0.398   2.487  25558
        108   1  18  "Average  Difference"   HN      0     0.000   0.000   0.000  25558
        109   1  19  "Average  Difference"    N      2     2.131   0.779   2.804  25558
        110   1  19  "Average  Difference"   HA      0     0.000   0.000   0.000  25558
        111   1  19  "Average  Difference"    C      3     0.719   0.446   0.692  25558
        112   1  19  "Average  Difference"   CA      3     0.944   0.026   1.155  25558
        113   1  19  "Average  Difference"   CB      3     1.511   0.071   1.848  25558
        114   1  19  "Average  Difference"   HN      0     0.000   0.000   0.000  25558
        115   1  20  "Average  Difference"    N      2     3.092   1.760   3.595  25558
        116   1  20  "Average  Difference"   HA      0     0.000   0.000   0.000  25558
        117   1  20  "Average  Difference"    C      3     0.583   0.444   0.462  25558
        118   1  20  "Average  Difference"   CA      3     1.143  -0.181   1.382  25558
        119   1  20  "Average  Difference"   CB      3     2.105  -0.383   2.535  25558
        120   1  20  "Average  Difference"   HN      0     0.000   0.000   0.000  25558
   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            25558
   _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    8    8   LYS    N   N   8   125.300   125.300   127.908   -2.608   25558
           2   1   .   1   1    8    8   LYS    C   C   8   174.200   174.200   175.193   -0.993   25558
           3   1   .   1   1    8    8   LYS   CA   C   8    54.400    54.400    55.202   -0.802   25558
           4   1   .   1   1    8    8   LYS   CB   C   8    36.000    36.000    33.983    2.017   25558
           5   1   .   1   1   12   12   THR    N   N  12   118.100   118.100   117.055    1.045   25558
           6   1   .   1   1   12   12   THR    C   C  12   172.500   172.500   172.468    0.032   25558
           7   1   .   1   1   12   12   THR   CA   C  12    63.100    63.100    61.707    1.393   25558
           8   1   .   1   1   12   12   THR   CB   C  12    68.900    68.900    70.836   -1.936   25558
           9   1   .   1   1   13   13   LYS    C   C  13   174.200   174.200   174.742   -0.542   25558
          10   1   .   1   1   13   13   LYS   CA   C  13    54.400    54.400    54.990   -0.590   25558
          11   1   .   1   1   13   13   LYS   CB   C  13    36.000    36.000    35.519    0.481   25558
   stop_

save_