Content for NMR-STAR saveframe, "assigned_chem_shift_list"

    save_assigned_chem_shift_list
   _Assigned_chem_shift_list.Sf_category                   assigned_chemical_shifts
   _Assigned_chem_shift_list.Sf_framecode                  assigned_chem_shift_list
   _Assigned_chem_shift_list.Entry_ID                      27775
   _Assigned_chem_shift_list.ID                            1
   _Assigned_chem_shift_list.Name                          .
   _Assigned_chem_shift_list.Sample_condition_list_ID      1
   _Assigned_chem_shift_list.Sample_condition_list_label   $sample_conditions_1
   _Assigned_chem_shift_list.Chem_shift_reference_ID       1
   _Assigned_chem_shift_list.Chem_shift_reference_label    $chemical_shift_reference_1
   _Assigned_chem_shift_list.Chem_shift_1H_err             .
   _Assigned_chem_shift_list.Chem_shift_13C_err            .
   _Assigned_chem_shift_list.Chem_shift_15N_err            .
   _Assigned_chem_shift_list.Chem_shift_31P_err            .
   _Assigned_chem_shift_list.Chem_shift_2H_err             .
   _Assigned_chem_shift_list.Chem_shift_19F_err            .
   _Assigned_chem_shift_list.Error_derivation_method       .
   _Assigned_chem_shift_list.Details                       .
   _Assigned_chem_shift_list.Text_data_format              .
   _Assigned_chem_shift_list.Text_data                     .

   loop_
      _Chem_shift_experiment.Experiment_ID
      _Chem_shift_experiment.Experiment_name
      _Chem_shift_experiment.Sample_ID
      _Chem_shift_experiment.Sample_label
      _Chem_shift_experiment.Sample_state
      _Chem_shift_experiment.Entry_ID
      _Chem_shift_experiment.Assigned_chem_shift_list_ID

      1   '2D 1H-15N HSQC/HMQC'             .   .   .   27775   1
      2   '3D HNCACB'                       .   .   .   27775   1
      3   'Expt_3 (H[N[co[{CA|ca[C]}]]])'   .   .   .   27775   1
      4   '3D HNCO'                         .   .   .   27775   1
      5   '3D HN(CA)CO'                     .   .   .   27775   1
   stop_

   loop_
      _Chem_shift_software.Software_ID
      _Chem_shift_software.Software_label
      _Chem_shift_software.Method_ID
      _Chem_shift_software.Method_label
      _Chem_shift_software.Entry_ID
      _Chem_shift_software.Assigned_chem_shift_list_ID

      1   $CcpNmr_Analysis   .   .   27775   1
   stop_

   loop_
      _Atom_chem_shift.ID
      _Atom_chem_shift.Assembly_atom_ID
      _Atom_chem_shift.Entity_assembly_ID
      _Atom_chem_shift.Entity_ID
      _Atom_chem_shift.Comp_index_ID
      _Atom_chem_shift.Seq_ID
      _Atom_chem_shift.Comp_ID
      _Atom_chem_shift.Atom_ID
      _Atom_chem_shift.Atom_type
      _Atom_chem_shift.Atom_isotope_number
      _Atom_chem_shift.Val
      _Atom_chem_shift.Val_err
      _Atom_chem_shift.Assign_fig_of_merit
      _Atom_chem_shift.Ambiguity_code
      _Atom_chem_shift.Ambiguity_set_ID
      _Atom_chem_shift.Occupancy
      _Atom_chem_shift.Resonance_ID
      _Atom_chem_shift.Auth_entity_assembly_ID
      _Atom_chem_shift.Auth_asym_ID
      _Atom_chem_shift.Auth_seq_ID
      _Atom_chem_shift.Auth_comp_ID
      _Atom_chem_shift.Auth_atom_ID
      _Atom_chem_shift.Details
      _Atom_chem_shift.Entry_ID
      _Atom_chem_shift.Assigned_chem_shift_list_ID

      1     .   1   1   8    8    ALA   H    H   1    8.281     0.0     .   1   .   .   213   .   .   8    ALA   H    .   27775   1
      2     .   1   1   8    8    ALA   C    C   13   178.798   .       .   1   .   .   216   .   .   8    ALA   C    .   27775   1
      3     .   1   1   8    8    ALA   CA   C   13   52.784    .       .   1   .   .   214   .   .   8    ALA   CA   .   27775   1
      4     .   1   1   8    8    ALA   CB   C   13   19.180    .       .   1   .   .   257   .   .   8    ALA   CB   .   27775   1
      5     .   1   1   8    8    ALA   N    N   15   125.721   0.002   .   1   .   .   215   .   .   8    ALA   N    .   27775   1
      6     .   1   1   9    9    SER   H    H   1    8.189     0.0     .   1   .   .   209   .   .   9    SER   H    .   27775   1
      7     .   1   1   9    9    SER   C    C   13   175.512   .       .   1   .   .   212   .   .   9    SER   C    .   27775   1
      8     .   1   1   9    9    SER   CA   C   13   58.508    .       .   1   .   .   210   .   .   9    SER   CA   .   27775   1
      9     .   1   1   9    9    SER   CB   C   13   63.696    .       .   1   .   .   224   .   .   9    SER   CB   .   27775   1
      10    .   1   1   9    9    SER   N    N   15   114.582   0.036   .   1   .   .   211   .   .   9    SER   N    .   27775   1
      11    .   1   1   10   10   LEU   H    H   1    8.189     0.0     .   1   .   .   217   .   .   10   LEU   H    .   27775   1
      12    .   1   1   10   10   LEU   C    C   13   178.063   .       .   1   .   .   220   .   .   10   LEU   C    .   27775   1
      13    .   1   1   10   10   LEU   CA   C   13   55.370    .       .   1   .   .   218   .   .   10   LEU   CA   .   27775   1
      14    .   1   1   10   10   LEU   CB   C   13   42.381    .       .   1   .   .   255   .   .   10   LEU   CB   .   27775   1
      15    .   1   1   10   10   LEU   N    N   15   123.801   0.001   .   1   .   .   219   .   .   10   LEU   N    .   27775   1
      16    .   1   1   11   11   GLU   H    H   1    8.295     0.0     .   1   .   .   193   .   .   11   GLU   H    .   27775   1
      17    .   1   1   11   11   GLU   C    C   13   177.702   .       .   1   .   .   196   .   .   11   GLU   C    .   27775   1
      18    .   1   1   11   11   GLU   CA   C   13   56.881    .       .   1   .   .   194   .   .   11   GLU   CA   .   27775   1
      19    .   1   1   11   11   GLU   CB   C   13   30.070    .       .   1   .   .   247   .   .   11   GLU   CB   .   27775   1
      20    .   1   1   11   11   GLU   N    N   15   121.511   0.042   .   1   .   .   195   .   .   11   GLU   N    .   27775   1
      21    .   1   1   12   12   VAL   H    H   1    7.998     0.0     .   1   .   .   189   .   .   12   VAL   H    .   27775   1
      22    .   1   1   12   12   VAL   C    C   13   176.953   .       .   1   .   .   192   .   .   12   VAL   C    .   27775   1
      23    .   1   1   12   12   VAL   CA   C   13   62.874    .       .   1   .   .   190   .   .   12   VAL   CA   .   27775   1
      24    .   1   1   12   12   VAL   CB   C   13   32.800    .       .   1   .   .   239   .   .   12   VAL   CB   .   27775   1
      25    .   1   1   12   12   VAL   N    N   15   120.017   0.069   .   1   .   .   191   .   .   12   VAL   N    .   27775   1
      26    .   1   1   13   13   ASP   H    H   1    8.280     0.0     .   1   .   .   185   .   .   13   ASP   H    .   27775   1
      27    .   1   1   13   13   ASP   C    C   13   177.152   .       .   1   .   .   188   .   .   13   ASP   C    .   27775   1
      28    .   1   1   13   13   ASP   CA   C   13   54.688    .       .   1   .   .   186   .   .   13   ASP   CA   .   27775   1
      29    .   1   1   13   13   ASP   CB   C   13   41.020    .       .   1   .   .   251   .   .   13   ASP   CB   .   27775   1
      30    .   1   1   13   13   ASP   N    N   15   122.616   0.031   .   1   .   .   187   .   .   13   ASP   N    .   27775   1
      31    .   1   1   14   14   ARG   H    H   1    8.082     0.0     .   1   .   .   97    .   .   14   ARG   H    .   27775   1
      32    .   1   1   14   14   ARG   C    C   13   177.243   .       .   1   .   .   100   .   .   14   ARG   C    .   27775   1
      33    .   1   1   14   14   ARG   CA   C   13   56.385    .       .   1   .   .   98    .   .   14   ARG   CA   .   27775   1
      34    .   1   1   14   14   ARG   CB   C   13   30.650    .       .   1   .   .   265   .   .   14   ARG   CB   .   27775   1
      35    .   1   1   14   14   ARG   N    N   15   121.106   0.086   .   1   .   .   99    .   .   14   ARG   N    .   27775   1
      36    .   1   1   15   15   ILE   H    H   1    8.059     0.0     .   1   .   .   93    .   .   15   ILE   H    .   27775   1
      37    .   1   1   15   15   ILE   C    C   13   176.278   .       .   1   .   .   96    .   .   15   ILE   C    .   27775   1
      38    .   1   1   15   15   ILE   CA   C   13   61.520    .       .   1   .   .   94    .   .   15   ILE   CA   .   27775   1
      39    .   1   1   15   15   ILE   CB   C   13   38.417    .       .   1   .   .   264   .   .   15   ILE   CB   .   27775   1
      40    .   1   1   15   15   ILE   N    N   15   121.622   0.08    .   1   .   .   95    .   .   15   ILE   N    .   27775   1
      41    .   1   1   16   16   LYS   H    H   1    8.279     0.0     .   1   .   .   289   .   .   16   LYS   H    .   27775   1
      42    .   1   1   16   16   LYS   C    C   13   177.409   .       .   1   .   .   293   .   .   16   LYS   C    .   27775   1
      43    .   1   1   16   16   LYS   CA   C   13   56.475    .       .   1   .   .   290   .   .   16   LYS   CA   .   27775   1
      44    .   1   1   16   16   LYS   CB   C   13   32.975    .       .   1   .   .   292   .   .   16   LYS   CB   .   27775   1
      45    .   1   1   16   16   LYS   N    N   15   125.402   0.038   .   1   .   .   291   .   .   16   LYS   N    .   27775   1
      46    .   1   1   17   17   LYS   H    H   1    8.349     0.0     .   1   .   .   294   .   .   17   LYS   H    .   27775   1
      47    .   1   1   17   17   LYS   C    C   13   177.392   .       .   1   .   .   298   .   .   17   LYS   C    .   27775   1
      48    .   1   1   17   17   LYS   CA   C   13   56.480    .       .   1   .   .   295   .   .   17   LYS   CA   .   27775   1
      49    .   1   1   17   17   LYS   CB   C   13   33.091    .       .   1   .   .   297   .   .   17   LYS   CB   .   27775   1
      50    .   1   1   17   17   LYS   N    N   15   123.384   0.121   .   1   .   .   296   .   .   17   LYS   N    .   27775   1
      51    .   1   1   18   18   ASP   H    H   1    8.386     0.002   .   1   .   .   299   .   .   18   ASP   H    .   27775   1
      52    .   1   1   18   18   ASP   C    C   13   177.161   .       .   1   .   .   304   .   .   18   ASP   C    .   27775   1
      53    .   1   1   18   18   ASP   CA   C   13   54.956    .       .   1   .   .   300   .   .   18   ASP   CA   .   27775   1
      54    .   1   1   18   18   ASP   CB   C   13   41.016    .       .   1   .   .   302   .   .   18   ASP   CB   .   27775   1
      55    .   1   1   18   18   ASP   N    N   15   121.200   0.048   .   1   .   .   301   .   .   18   ASP   N    .   27775   1
      56    .   1   1   19   19   GLN   H    H   1    8.219     0.0     .   1   .   .   330   .   .   19   GLN   H    .   27775   1
      57    .   1   1   19   19   GLN   C    C   13   176.897   .       .   1   .   .   334   .   .   19   GLN   C    .   27775   1
      58    .   1   1   19   19   GLN   CA   C   13   56.038    .       .   1   .   .   331   .   .   19   GLN   CA   .   27775   1
      59    .   1   1   19   19   GLN   CB   C   13   29.542    .       .   1   .   .   333   .   .   19   GLN   CB   .   27775   1
      60    .   1   1   19   19   GLN   N    N   15   119.575   0.005   .   1   .   .   332   .   .   19   GLN   N    .   27775   1
      61    .   1   1   20   20   GLU   H    H   1    8.412     0.001   .   1   .   .   335   .   .   20   GLU   H    .   27775   1
      62    .   1   1   20   20   GLU   C    C   13   177.519   .       .   1   .   .   338   .   .   20   GLU   C    .   27775   1
      63    .   1   1   20   20   GLU   CA   C   13   56.049    .       .   1   .   .   339   .   .   20   GLU   CA   .   27775   1
      64    .   1   1   20   20   GLU   CB   C   13   30.411    .       .   1   .   .   336   .   .   20   GLU   CB   .   27775   1
      65    .   1   1   20   20   GLU   N    N   15   121.659   0.006   .   1   .   .   337   .   .   20   GLU   N    .   27775   1
      66    .   1   1   24   24   ASP   H    H   1    8.442     0.0     .   1   .   .   127   .   .   24   ASP   H    .   27775   1
      67    .   1   1   24   24   ASP   C    C   13   177.189   .       .   1   .   .   130   .   .   24   ASP   C    .   27775   1
      68    .   1   1   24   24   ASP   CA   C   13   54.423    .       .   1   .   .   128   .   .   24   ASP   CA   .   27775   1
      69    .   1   1   24   24   ASP   CB   C   13   41.275    .       .   1   .   .   242   .   .   24   ASP   CB   .   27775   1
      70    .   1   1   24   24   ASP   N    N   15   121.886   0.001   .   1   .   .   129   .   .   24   ASP   N    .   27775   1
      71    .   1   1   25   25   GLN   H    H   1    8.409     0.001   .   1   .   .   5     .   .   25   GLN   H    .   27775   1
      72    .   1   1   25   25   GLN   C    C   13   177.193   .       .   1   .   .   6     .   .   25   GLN   C    .   27775   1
      73    .   1   1   25   25   GLN   CA   C   13   55.780    .       .   1   .   .   9     .   .   25   GLN   CA   .   27775   1
      74    .   1   1   25   25   GLN   CB   C   13   29.537    .       .   1   .   .   241   .   .   25   GLN   CB   .   27775   1
      75    .   1   1   25   25   GLN   N    N   15   121.136   0.045   .   1   .   .   7     .   .   25   GLN   N    .   27775   1
      76    .   1   1   26   26   GLY   H    H   1    8.301     0.003   .   1   .   .   1     .   .   26   GLY   H    .   27775   1
      77    .   1   1   26   26   GLY   C    C   13   172.070   .       .   1   .   .   4     .   .   26   GLY   C    .   27775   1
      78    .   1   1   26   26   GLY   CA   C   13   44.501    .       .   1   .   .   2     .   .   26   GLY   CA   .   27775   1
      79    .   1   1   26   26   GLY   N    N   15   109.847   0.027   .   1   .   .   3     .   .   26   GLY   N    .   27775   1
      80    .   1   1   32   32   LEU   H    H   1    8.262     0.005   .   1   .   .   57    .   .   32   LEU   H    .   27775   1
      81    .   1   1   32   32   LEU   C    C   13   178.184   .       .   1   .   .   60    .   .   32   LEU   C    .   27775   1
      82    .   1   1   32   32   LEU   CA   C   13   55.159    .       .   1   .   .   58    .   .   32   LEU   CA   .   27775   1
      83    .   1   1   32   32   LEU   CB   C   13   42.516    .       .   1   .   .   253   .   .   32   LEU   CB   .   27775   1
      84    .   1   1   32   32   LEU   N    N   15   123.378   0.043   .   1   .   .   59    .   .   32   LEU   N    .   27775   1
      85    .   1   1   33   33   SER   H    H   1    8.226     0.001   .   1   .   .   53    .   .   33   SER   H    .   27775   1
      86    .   1   1   33   33   SER   C    C   13   175.701   .       .   1   .   .   56    .   .   33   SER   C    .   27775   1
      87    .   1   1   33   33   SER   CA   C   13   58.392    .       .   1   .   .   54    .   .   33   SER   CA   .   27775   1
      88    .   1   1   33   33   SER   CB   C   13   63.715    .       .   1   .   .   228   .   .   33   SER   CB   .   27775   1
      89    .   1   1   33   33   SER   N    N   15   116.538   0.045   .   1   .   .   55    .   .   33   SER   N    .   27775   1
      90    .   1   1   34   34   ARG   H    H   1    8.386     0.0     .   1   .   .   61    .   .   34   ARG   H    .   27775   1
      91    .   1   1   34   34   ARG   C    C   13   177.409   .       .   1   .   .   64    .   .   34   ARG   C    .   27775   1
      92    .   1   1   34   34   ARG   CA   C   13   56.866    .       .   1   .   .   62    .   .   34   ARG   CA   .   27775   1
      93    .   1   1   34   34   ARG   CB   C   13   30.625    .       .   1   .   .   243   .   .   34   ARG   CB   .   27775   1
      94    .   1   1   34   34   ARG   N    N   15   122.931   0.099   .   1   .   .   63    .   .   34   ARG   N    .   27775   1
      95    .   1   1   35   35   GLU   H    H   1    8.399     0.0     .   1   .   .   315   .   .   35   GLU   H    .   27775   1
      96    .   1   1   35   35   GLU   C    C   13   177.407   .       .   1   .   .   319   .   .   35   GLU   C    .   27775   1
      97    .   1   1   35   35   GLU   CA   C   13   56.591    .       .   1   .   .   316   .   .   35   GLU   CA   .   27775   1
      98    .   1   1   35   35   GLU   CB   C   13   30.616    .       .   1   .   .   318   .   .   35   GLU   CB   .   27775   1
      99    .   1   1   35   35   GLU   N    N   15   122.029   0.034   .   1   .   .   317   .   .   35   GLU   N    .   27775   1
      100   .   1   1   38   38   GLU   H    H   1    8.230     0.023   .   1   .   .   85    .   .   38   GLU   H    .   27775   1
      101   .   1   1   38   38   GLU   C    C   13   176.897   0.013   .   1   .   .   88    .   .   38   GLU   C    .   27775   1
      102   .   1   1   38   38   GLU   CA   C   13   56.403    0.07    .   1   .   .   86    .   .   38   GLU   CA   .   27775   1
      103   .   1   1   38   38   GLU   CB   C   13   30.357    0.009   .   1   .   .   246   .   .   38   GLU   CB   .   27775   1
      104   .   1   1   38   38   GLU   N    N   15   121.245   0.168   .   1   .   .   87    .   .   38   GLU   N    .   27775   1
      105   .   1   1   39   39   VAL   H    H   1    8.104     0.0     .   1   .   .   81    .   .   39   VAL   H    .   27775   1
      106   .   1   1   39   39   VAL   C    C   13   176.696   .       .   1   .   .   84    .   .   39   VAL   C    .   27775   1
      107   .   1   1   39   39   VAL   CA   C   13   62.259    .       .   1   .   .   82    .   .   39   VAL   CA   .   27775   1
      108   .   1   1   39   39   VAL   CB   C   13   32.816    .       .   1   .   .   262   .   .   39   VAL   CB   .   27775   1
      109   .   1   1   39   39   VAL   N    N   15   122.014   0.006   .   1   .   .   83    .   .   39   VAL   N    .   27775   1
      110   .   1   1   40   40   VAL   H    H   1    8.215     0.003   .   1   .   .   76    .   .   40   VAL   H    .   27775   1
      111   .   1   1   40   40   VAL   C    C   13   176.614   .       .   1   .   .   80    .   .   40   VAL   C    .   27775   1
      112   .   1   1   40   40   VAL   CA   C   13   61.941    .       .   1   .   .   77    .   .   40   VAL   CA   .   27775   1
      113   .   1   1   40   40   VAL   CB   C   13   32.871    .       .   1   .   .   79    .   .   40   VAL   CB   .   27775   1
      114   .   1   1   40   40   VAL   N    N   15   124.919   0.055   .   1   .   .   78    .   .   40   VAL   N    .   27775   1
      115   .   1   1   41   41   GLU   H    H   1    8.486     0.0     .   1   .   .   305   .   .   41   GLU   H    .   27775   1
      116   .   1   1   41   41   GLU   C    C   13   175.279   .       .   1   .   .   309   .   .   41   GLU   C    .   27775   1
      117   .   1   1   41   41   GLU   CA   C   13   54.305    .       .   1   .   .   306   .   .   41   GLU   CA   .   27775   1
      118   .   1   1   41   41   GLU   CB   C   13   29.801    .       .   1   .   .   308   .   .   41   GLU   CB   .   27775   1
      119   .   1   1   41   41   GLU   N    N   15   126.545   0.038   .   1   .   .   307   .   .   41   GLU   N    .   27775   1
      120   .   1   1   43   43   GLU   H    H   1    8.509     0.0     .   1   .   .   181   .   .   43   GLU   H    .   27775   1
      121   .   1   1   43   43   GLU   C    C   13   177.412   .       .   1   .   .   184   .   .   43   GLU   C    .   27775   1
      122   .   1   1   43   43   GLU   CA   C   13   56.874    .       .   1   .   .   182   .   .   43   GLU   CA   .   27775   1
      123   .   1   1   43   43   GLU   CB   C   13   30.346    .       .   1   .   .   240   .   .   43   GLU   CB   .   27775   1
      124   .   1   1   43   43   GLU   N    N   15   121.062   0.068   .   1   .   .   183   .   .   43   GLU   N    .   27775   1
      125   .   1   1   44   44   VAL   H    H   1    8.143     0.0     .   1   .   .   177   .   .   44   VAL   H    .   27775   1
      126   .   1   1   44   44   VAL   C    C   13   176.957   .       .   1   .   .   180   .   .   44   VAL   C    .   27775   1
      127   .   1   1   44   44   VAL   CA   C   13   62.344    .       .   1   .   .   178   .   .   44   VAL   CA   .   27775   1
      128   .   1   1   44   44   VAL   CB   C   13   32.788    .       .   1   .   .   260   .   .   44   VAL   CB   .   27775   1
      129   .   1   1   44   44   VAL   N    N   15   121.815   0.006   .   1   .   .   179   .   .   44   VAL   N    .   27775   1
      130   .   1   1   45   45   LEU   H    H   1    8.295     0.0     .   1   .   .   205   .   .   45   LEU   H    .   27775   1
      131   .   1   1   45   45   LEU   C    C   13   178.279   .       .   1   .   .   208   .   .   45   LEU   C    .   27775   1
      132   .   1   1   45   45   LEU   CA   C   13   55.191    .       .   1   .   .   206   .   .   45   LEU   CA   .   27775   1
      133   .   1   1   45   45   LEU   CB   C   13   42.136    .       .   1   .   .   258   .   .   45   LEU   CB   .   27775   1
      134   .   1   1   45   45   LEU   N    N   15   126.387   0.11    .   1   .   .   207   .   .   45   LEU   N    .   27775   1
      135   .   1   1   46   46   GLN   H    H   1    8.277     0.0     .   1   .   .   274   .   .   46   GLN   H    .   27775   1
      136   .   1   1   46   46   GLN   C    C   13   177.289   .       .   1   .   .   278   .   .   46   GLN   C    .   27775   1
      137   .   1   1   46   46   GLN   CA   C   13   56.609    .       .   1   .   .   275   .   .   46   GLN   CA   .   27775   1
      138   .   1   1   46   46   GLN   CB   C   13   30.341    .       .   1   .   .   277   .   .   46   GLN   CB   .   27775   1
      139   .   1   1   46   46   GLN   N    N   15   121.043   0.013   .   1   .   .   276   .   .   46   GLN   N    .   27775   1
      140   .   1   1   47   47   ASP   H    H   1    8.411     0.002   .   1   .   .   284   .   .   47   ASP   H    .   27775   1
      141   .   1   1   47   47   ASP   C    C   13   177.278   .       .   1   .   .   288   .   .   47   ASP   C    .   27775   1
      142   .   1   1   47   47   ASP   CA   C   13   54.535    .       .   1   .   .   285   .   .   47   ASP   CA   .   27775   1
      143   .   1   1   47   47   ASP   CB   C   13   41.271    .       .   1   .   .   287   .   .   47   ASP   CB   .   27775   1
      144   .   1   1   47   47   ASP   N    N   15   121.248   0.107   .   1   .   .   286   .   .   47   ASP   N    .   27775   1
      145   .   1   1   48   48   SER   H    H   1    8.182     0.0     .   1   .   .   279   .   .   48   SER   H    .   27775   1
      146   .   1   1   48   48   SER   C    C   13   175.452   .       .   1   .   .   283   .   .   48   SER   C    .   27775   1
      147   .   1   1   48   48   SER   CA   C   13   58.624    .       .   1   .   .   280   .   .   48   SER   CA   .   27775   1
      148   .   1   1   48   48   SER   CB   C   13   63.722    .       .   1   .   .   282   .   .   48   SER   CB   .   27775   1
      149   .   1   1   48   48   SER   N    N   15   115.542   0.014   .   1   .   .   281   .   .   48   SER   N    .   27775   1
      150   .   1   1   49   49   LEU   H    H   1    8.240     0.003   .   1   .   .   123   .   .   49   LEU   H    .   27775   1
      151   .   1   1   49   49   LEU   C    C   13   178.252   .       .   1   .   .   126   .   .   49   LEU   C    .   27775   1
      152   .   1   1   49   49   LEU   CA   C   13   55.754    .       .   1   .   .   124   .   .   49   LEU   CA   .   27775   1
      153   .   1   1   49   49   LEU   CB   C   13   42.107    .       .   1   .   .   254   .   .   49   LEU   CB   .   27775   1
      154   .   1   1   49   49   LEU   N    N   15   123.551   0.056   .   1   .   .   125   .   .   49   LEU   N    .   27775   1
      155   .   1   1   50   50   ASP   H    H   1    8.227     0.0     .   1   .   .   119   .   .   50   ASP   H    .   27775   1
      156   .   1   1   50   50   ASP   C    C   13   177.278   .       .   1   .   .   122   .   .   50   ASP   C    .   27775   1
      157   .   1   1   50   50   ASP   CA   C   13   54.691    .       .   1   .   .   120   .   .   50   ASP   CA   .   27775   1
      158   .   1   1   50   50   ASP   CB   C   13   41.017    .       .   1   .   .   236   .   .   50   ASP   CB   .   27775   1
      159   .   1   1   50   50   ASP   N    N   15   120.215   0.056   .   1   .   .   121   .   .   50   ASP   N    .   27775   1
      160   .   1   1   51   51   ARG   H    H   1    8.074     0.0     .   1   .   .   115   .   .   51   ARG   H    .   27775   1
      161   .   1   1   51   51   ARG   C    C   13   177.017   .       .   1   .   .   118   .   .   51   ARG   C    .   27775   1
      162   .   1   1   51   51   ARG   CA   C   13   56.313    .       .   1   .   .   116   .   .   51   ARG   CA   .   27775   1
      163   .   1   1   51   51   ARG   CB   C   13   30.616    .       .   1   .   .   266   .   .   51   ARG   CB   .   27775   1
      164   .   1   1   51   51   ARG   N    N   15   120.700   0.001   .   1   .   .   117   .   .   51   ARG   N    .   27775   1
      165   .   1   1   52   52   CYS   H    H   1    8.264     0.001   .   1   .   .   49    .   .   52   CYS   H    .   27775   1
      166   .   1   1   52   52   CYS   C    C   13   175.290   .       .   1   .   .   52    .   .   52   CYS   C    .   27775   1
      167   .   1   1   52   52   CYS   CA   C   13   58.793    .       .   1   .   .   50    .   .   52   CYS   CA   .   27775   1
      168   .   1   1   52   52   CYS   CB   C   13   27.876    .       .   1   .   .   234   .   .   52   CYS   CB   .   27775   1
      169   .   1   1   52   52   CYS   N    N   15   119.670   0.084   .   1   .   .   51    .   .   52   CYS   N    .   27775   1
      170   .   1   1   53   53   TYR   H    H   1    8.204     0.0     .   1   .   .   45    .   .   53   TYR   H    .   27775   1
      171   .   1   1   53   53   TYR   C    C   13   176.506   .       .   1   .   .   48    .   .   53   TYR   C    .   27775   1
      172   .   1   1   53   53   TYR   CA   C   13   57.920    .       .   1   .   .   46    .   .   53   TYR   CA   .   27775   1
      173   .   1   1   53   53   TYR   CB   C   13   38.832    .       .   1   .   .   250   .   .   53   TYR   CB   .   27775   1
      174   .   1   1   53   53   TYR   N    N   15   122.518   0.116   .   1   .   .   47    .   .   53   TYR   N    .   27775   1
      175   .   1   1   54   54   SER   H    H   1    8.124     0.0     .   1   .   .   41    .   .   54   SER   H    .   27775   1
      176   .   1   1   54   54   SER   C    C   13   174.772   .       .   1   .   .   44    .   .   54   SER   C    .   27775   1
      177   .   1   1   54   54   SER   CA   C   13   57.923    .       .   1   .   .   42    .   .   54   SER   CA   .   27775   1
      178   .   1   1   54   54   SER   CB   C   13   63.980    .       .   1   .   .   231   .   .   54   SER   CB   .   27775   1
      179   .   1   1   54   54   SER   N    N   15   117.346   0.066   .   1   .   .   43    .   .   54   SER   N    .   27775   1
      180   .   1   1   55   55   THR   H    H   1    8.161     0.001   .   1   .   .   37    .   .   55   THR   H    .   27775   1
      181   .   1   1   55   55   THR   C    C   13   173.851   .       .   1   .   .   40    .   .   55   THR   C    .   27775   1
      182   .   1   1   55   55   THR   CA   C   13   59.902    .       .   1   .   .   38    .   .   55   THR   CA   .   27775   1
      183   .   1   1   55   55   THR   CB   C   13   69.733    .       .   1   .   .   232   .   .   55   THR   CB   .   27775   1
      184   .   1   1   55   55   THR   N    N   15   118.294   0.076   .   1   .   .   39    .   .   55   THR   N    .   27775   1
      185   .   1   1   57   57   SER   H    H   1    8.437     0.001   .   1   .   .   72    .   .   57   SER   H    .   27775   1
      186   .   1   1   57   57   SER   C    C   13   175.754   .       .   1   .   .   75    .   .   57   SER   C    .   27775   1
      187   .   1   1   57   57   SER   CA   C   13   58.711    .       .   1   .   .   73    .   .   57   SER   CA   .   27775   1
      188   .   1   1   57   57   SER   CB   C   13   63.814    .       .   1   .   .   227   .   .   57   SER   CB   .   27775   1
      189   .   1   1   57   57   SER   N    N   15   116.014   0.058   .   1   .   .   74    .   .   57   SER   N    .   27775   1
      190   .   1   1   58   58   SER   H    H   1    8.339     0.0     .   1   .   .   310   .   .   58   SER   H    .   27775   1
      191   .   1   1   58   58   SER   C    C   13   175.111   .       .   1   .   .   314   .   .   58   SER   C    .   27775   1
      192   .   1   1   58   58   SER   CA   C   13   58.710    .       .   1   .   .   311   .   .   58   SER   CA   .   27775   1
      193   .   1   1   58   58   SER   CB   C   13   63.739    .       .   1   .   .   313   .   .   58   SER   CB   .   27775   1
      194   .   1   1   58   58   SER   N    N   15   117.482   0.059   .   1   .   .   312   .   .   58   SER   N    .   27775   1
      195   .   1   1   59   59   CYS   H    H   1    8.304     0.0     .   1   .   .   325   .   .   59   CYS   H    .   27775   1
      196   .   1   1   59   59   CYS   C    C   13   175.327   .       .   1   .   .   329   .   .   59   CYS   C    .   27775   1
      197   .   1   1   59   59   CYS   CA   C   13   58.513    .       .   1   .   .   326   .   .   59   CYS   CA   .   27775   1
      198   .   1   1   59   59   CYS   CB   C   13   27.914    .       .   1   .   .   328   .   .   59   CYS   CB   .   27775   1
      199   .   1   1   59   59   CYS   N    N   15   120.672   0.019   .   1   .   .   327   .   .   59   CYS   N    .   27775   1
      200   .   1   1   60   60   LEU   H    H   1    8.191     0.003   .   1   .   .   320   .   .   60   LEU   H    .   27775   1
      201   .   1   1   60   60   LEU   C    C   13   178.064   .       .   1   .   .   324   .   .   60   LEU   C    .   27775   1
      202   .   1   1   60   60   LEU   CA   C   13   55.401    .       .   1   .   .   321   .   .   60   LEU   CA   .   27775   1
      203   .   1   1   60   60   LEU   CB   C   13   42.381    .       .   1   .   .   323   .   .   60   LEU   CB   .   27775   1
      204   .   1   1   60   60   LEU   N    N   15   124.073   0.045   .   1   .   .   322   .   .   60   LEU   N    .   27775   1
      205   .   1   1   61   61   GLU   H    H   1    8.250     0.0     .   1   .   .   201   .   .   61   GLU   H    .   27775   1
      206   .   1   1   61   61   GLU   C    C   13   176.887   .       .   1   .   .   204   .   .   61   GLU   C    .   27775   1
      207   .   1   1   61   61   GLU   CA   C   13   56.514    .       .   1   .   .   202   .   .   61   GLU   CA   .   27775   1
      208   .   1   1   61   61   GLU   CB   C   13   30.349    .       .   1   .   .   245   .   .   61   GLU   CB   .   27775   1
      209   .   1   1   61   61   GLU   N    N   15   121.322   0.103   .   1   .   .   203   .   .   61   GLU   N    .   27775   1
      210   .   1   1   62   62   GLN   H    H   1    8.319     0.0     .   1   .   .   197   .   .   62   GLN   H    .   27775   1
      211   .   1   1   62   62   GLN   C    C   13   174.910   .       .   1   .   .   200   .   .   62   GLN   C    .   27775   1
      212   .   1   1   62   62   GLN   CA   C   13   53.514    .       .   1   .   .   198   .   .   62   GLN   CA   .   27775   1
      213   .   1   1   62   62   GLN   CB   C   13   29.163    .       .   1   .   .   249   .   .   62   GLN   CB   .   27775   1
      214   .   1   1   62   62   GLN   N    N   15   121.907   0.031   .   1   .   .   199   .   .   62   GLN   N    .   27775   1
      215   .   1   1   64   64   ASP   H    H   1    8.438     0.0     .   1   .   .   131   .   .   64   ASP   H    .   27775   1
      216   .   1   1   64   64   ASP   C    C   13   177.393   .       .   1   .   .   134   .   .   64   ASP   C    .   27775   1
      217   .   1   1   64   64   ASP   CA   C   13   54.441    .       .   1   .   .   132   .   .   64   ASP   CA   .   27775   1
      218   .   1   1   64   64   ASP   CB   C   13   41.065    .       .   1   .   .   233   .   .   64   ASP   CB   .   27775   1
      219   .   1   1   64   64   ASP   N    N   15   120.009   0.105   .   1   .   .   133   .   .   64   ASP   N    .   27775   1
      220   .   1   1   65   65   SER   H    H   1    8.182     0.0     .   1   .   .   135   .   .   65   SER   H    .   27775   1
      221   .   1   1   65   65   SER   CA   C   13   58.525    .       .   1   .   .   136   .   .   65   SER   CA   .   27775   1
      222   .   1   1   65   65   SER   CB   C   13   63.724    .       .   1   .   .   226   .   .   65   SER   CB   .   27775   1
      223   .   1   1   65   65   SER   N    N   15   115.961   0.151   .   1   .   .   137   .   .   65   SER   N    .   27775   1
      224   .   1   1   66   66   CYS   H    H   1    8.341     0.0     .   1   .   .   140   .   .   66   CYS   H    .   27775   1
      225   .   1   1   66   66   CYS   C    C   13   175.144   .       .   1   .   .   143   .   .   66   CYS   C    .   27775   1
      226   .   1   1   66   66   CYS   CA   C   13   58.526    .       .   1   .   .   141   .   .   66   CYS   CA   .   27775   1
      227   .   1   1   66   66   CYS   CB   C   13   27.887    .       .   1   .   .   237   .   .   66   CYS   CB   .   27775   1
      228   .   1   1   66   66   CYS   N    N   15   120.351   0.001   .   1   .   .   142   .   .   66   CYS   N    .   27775   1
      229   .   1   1   67   67   GLN   H    H   1    8.265     0.0     .   1   .   .   144   .   .   67   GLN   H    .   27775   1
      230   .   1   1   67   67   GLN   C    C   13   174.934   .       .   1   .   .   147   .   .   67   GLN   C    .   27775   1
      231   .   1   1   67   67   GLN   CA   C   13   53.800    .       .   1   .   .   145   .   .   67   GLN   CA   .   27775   1
      232   .   1   1   67   67   GLN   CB   C   13   28.836    .       .   1   .   .   252   .   .   67   GLN   CB   .   27775   1
      233   .   1   1   67   67   GLN   N    N   15   122.792   0.008   .   1   .   .   146   .   .   67   GLN   N    .   27775   1
      234   .   1   1   69   69   TYR   H    H   1    8.155     0.001   .   1   .   .   111   .   .   69   TYR   H    .   27775   1
      235   .   1   1   69   69   TYR   C    C   13   177.357   .       .   1   .   .   114   .   .   69   TYR   C    .   27775   1
      236   .   1   1   69   69   TYR   CA   C   13   58.019    .       .   1   .   .   112   .   .   69   TYR   CA   .   27775   1
      237   .   1   1   69   69   TYR   CB   C   13   38.534    .       .   1   .   .   238   .   .   69   TYR   CB   .   27775   1
      238   .   1   1   69   69   TYR   N    N   15   120.114   0.074   .   1   .   .   113   .   .   69   TYR   N    .   27775   1
      239   .   1   1   70   70   GLY   H    H   1    8.214     0.0     .   1   .   .   12    .   .   70   GLY   H    .   27775   1
      240   .   1   1   70   70   GLY   C    C   13   175.119   .       .   1   .   .   22    .   .   70   GLY   C    .   27775   1
      241   .   1   1   70   70   GLY   CA   C   13   45.350    .       .   1   .   .   17    .   .   70   GLY   CA   .   27775   1
      242   .   1   1   70   70   GLY   N    N   15   110.735   0.048   .   1   .   .   14    .   .   70   GLY   N    .   27775   1
      243   .   1   1   71   71   SER   H    H   1    8.166     0.003   .   1   .   .   18    .   .   71   SER   H    .   27775   1
      244   .   1   1   71   71   SER   C    C   13   175.818   .       .   1   .   .   23    .   .   71   SER   C    .   27775   1
      245   .   1   1   71   71   SER   CA   C   13   58.627    .       .   1   .   .   19    .   .   71   SER   CA   .   27775   1
      246   .   1   1   71   71   SER   CB   C   13   63.718    .       .   1   .   .   225   .   .   71   SER   CB   .   27775   1
      247   .   1   1   71   71   SER   N    N   15   115.438   0.034   .   1   .   .   20    .   .   71   SER   N    .   27775   1
      248   .   1   1   72   72   SER   H    H   1    8.316     0.001   .   1   .   .   24    .   .   72   SER   H    .   27775   1
      249   .   1   1   72   72   SER   C    C   13   175.395   .       .   1   .   .   27    .   .   72   SER   C    .   27775   1
      250   .   1   1   72   72   SER   CA   C   13   58.522    .       .   1   .   .   25    .   .   72   SER   CA   .   27775   1
      251   .   1   1   72   72   SER   CB   C   13   63.712    .       .   1   .   .   229   .   .   72   SER   CB   .   27775   1
      252   .   1   1   72   72   SER   N    N   15   117.480   0.005   .   1   .   .   26    .   .   72   SER   N    .   27775   1
      253   .   1   1   73   73   PHE   H    H   1    8.067     0.0     .   1   .   .   269   .   .   73   PHE   H    .   27775   1
      254   .   1   1   73   73   PHE   C    C   13   177.241   .       .   1   .   .   273   .   .   73   PHE   C    .   27775   1
      255   .   1   1   73   73   PHE   CA   C   13   58.429    .       .   1   .   .   270   .   .   73   PHE   CA   .   27775   1
      256   .   1   1   73   73   PHE   CB   C   13   39.620    .       .   1   .   .   272   .   .   73   PHE   CB   .   27775   1
      257   .   1   1   73   73   PHE   N    N   15   121.775   0.022   .   1   .   .   271   .   .   73   PHE   N    .   27775   1
      258   .   1   1   74   74   TYR   H    H   1    7.845     0.0     .   1   .   .   105   .   .   74   TYR   H    .   27775   1
      259   .   1   1   74   74   TYR   C    C   13   176.040   .       .   1   .   .   108   .   .   74   TYR   C    .   27775   1
      260   .   1   1   74   74   TYR   CA   C   13   57.933    .       .   1   .   .   106   .   .   74   TYR   CA   .   27775   1
      261   .   1   1   74   74   TYR   CB   C   13   38.825    .       .   1   .   .   268   .   .   74   TYR   CB   .   27775   1
      262   .   1   1   74   74   TYR   N    N   15   120.680   0.039   .   1   .   .   110   .   .   74   TYR   N    .   27775   1
      263   .   1   1   75   75   ALA   H    H   1    7.980     0.001   .   1   .   .   101   .   .   75   ALA   H    .   27775   1
      264   .   1   1   75   75   ALA   C    C   13   178.253   .       .   1   .   .   104   .   .   75   ALA   C    .   27775   1
      265   .   1   1   75   75   ALA   CA   C   13   52.487    .       .   1   .   .   102   .   .   75   ALA   CA   .   27775   1
      266   .   1   1   75   75   ALA   CB   C   13   19.296    .       .   1   .   .   259   .   .   75   ALA   CB   .   27775   1
      267   .   1   1   75   75   ALA   N    N   15   125.016   0.129   .   1   .   .   103   .   .   75   ALA   N    .   27775   1
      268   .   1   1   76   76   LEU   H    H   1    7.967     0.0     .   1   .   .   148   .   .   76   LEU   H    .   27775   1
      269   .   1   1   76   76   LEU   C    C   13   178.314   .       .   1   .   .   151   .   .   76   LEU   C    .   27775   1
      270   .   1   1   76   76   LEU   CA   C   13   55.489    .       .   1   .   .   149   .   .   76   LEU   CA   .   27775   1
      271   .   1   1   76   76   LEU   CB   C   13   42.392    .       .   1   .   .   267   .   .   76   LEU   CB   .   27775   1
      272   .   1   1   76   76   LEU   N    N   15   120.910   0.002   .   1   .   .   150   .   .   76   LEU   N    .   27775   1
      273   .   1   1   77   77   GLU   H    H   1    8.296     0.0     .   1   .   .   152   .   .   77   GLU   H    .   27775   1
      274   .   1   1   77   77   GLU   C    C   13   177.690   .       .   1   .   .   155   .   .   77   GLU   C    .   27775   1
      275   .   1   1   77   77   GLU   CA   C   13   55.356    .       .   1   .   .   153   .   .   77   GLU   CA   .   27775   1
      276   .   1   1   77   77   GLU   CB   C   13   30.070    .       .   1   .   .   248   .   .   77   GLU   CB   .   27775   1
      277   .   1   1   77   77   GLU   N    N   15   121.652   0.002   .   1   .   .   154   .   .   77   GLU   N    .   27775   1
      278   .   1   1   81   81   VAL   H    H   1    8.105     0.0     .   1   .   .   89    .   .   81   VAL   H    .   27775   1
      279   .   1   1   81   81   VAL   C    C   13   177.302   .       .   1   .   .   92    .   .   81   VAL   C    .   27775   1
      280   .   1   1   81   81   VAL   CA   C   13   62.345    .       .   1   .   .   90    .   .   81   VAL   CA   .   27775   1
      281   .   1   1   81   81   VAL   CB   C   13   32.815    .       .   1   .   .   261   .   .   81   VAL   CB   .   27775   1
      282   .   1   1   81   81   VAL   N    N   15   121.810   0.003   .   1   .   .   91    .   .   81   VAL   N    .   27775   1
      283   .   1   1   82   82   GLY   H    H   1    8.425     0.003   .   1   .   .   28    .   .   82   GLY   H    .   27775   1
      284   .   1   1   82   82   GLY   C    C   13   174.596   .       .   1   .   .   31    .   .   82   GLY   C    .   27775   1
      285   .   1   1   82   82   GLY   CA   C   13   45.155    .       .   1   .   .   29    .   .   82   GLY   CA   .   27775   1
      286   .   1   1   82   82   GLY   N    N   15   112.134   0.056   .   1   .   .   30    .   .   82   GLY   N    .   27775   1
      287   .   1   1   83   83   PHE   H    H   1    8.044     0.0     .   1   .   .   32    .   .   83   PHE   H    .   27775   1
      288   .   1   1   83   83   PHE   C    C   13   176.543   .       .   1   .   .   35    .   .   83   PHE   C    .   27775   1
      289   .   1   1   83   83   PHE   CA   C   13   57.707    .       .   1   .   .   33    .   .   83   PHE   CA   .   27775   1
      290   .   1   1   83   83   PHE   CB   C   13   39.904    .       .   1   .   .   36    .   .   83   PHE   CB   .   27775   1
      291   .   1   1   83   83   PHE   N    N   15   119.966   0.022   .   1   .   .   34    .   .   83   PHE   N    .   27775   1
      292   .   1   1   84   84   SER   H    H   1    8.196     0.0     .   1   .   .   65    .   .   84   SER   H    .   27775   1
      293   .   1   1   84   84   SER   C    C   13   175.120   .       .   1   .   .   68    .   .   84   SER   C    .   27775   1
      294   .   1   1   84   84   SER   CA   C   13   57.980    .       .   1   .   .   66    .   .   84   SER   CA   .   27775   1
      295   .   1   1   84   84   SER   CB   C   13   63.960    .       .   1   .   .   230   .   .   84   SER   CB   .   27775   1
      296   .   1   1   84   84   SER   N    N   15   117.409   0.0     .   1   .   .   67    .   .   84   SER   N    .   27775   1
      297   .   1   1   85   85   LEU   H    H   1    8.241     0.0     .   1   .   .   156   .   .   85   LEU   H    .   27775   1
      298   .   1   1   85   85   LEU   C    C   13   177.806   .       .   1   .   .   159   .   .   85   LEU   C    .   27775   1
      299   .   1   1   85   85   LEU   CA   C   13   55.474    .       .   1   .   .   157   .   .   85   LEU   CA   .   27775   1
      300   .   1   1   85   85   LEU   CB   C   13   42.372    .       .   1   .   .   256   .   .   85   LEU   CB   .   27775   1
      301   .   1   1   85   85   LEU   N    N   15   124.233   0.046   .   1   .   .   158   .   .   85   LEU   N    .   27775   1
      302   .   1   1   86   86   ASP   H    H   1    8.272     0.0     .   1   .   .   160   .   .   86   ASP   H    .   27775   1
      303   .   1   1   86   86   ASP   C    C   13   177.161   .       .   1   .   .   163   .   .   86   ASP   C    .   27775   1
      304   .   1   1   86   86   ASP   CA   C   13   54.314    .       .   1   .   .   161   .   .   86   ASP   CA   .   27775   1
      305   .   1   1   86   86   ASP   CB   C   13   41.014    .       .   1   .   .   244   .   .   86   ASP   CB   .   27775   1
      306   .   1   1   86   86   ASP   N    N   15   120.691   0.033   .   1   .   .   162   .   .   86   ASP   N    .   27775   1
      307   .   1   1   87   87   LEU   H    H   1    8.084     0.0     .   1   .   .   164   .   .   87   LEU   H    .   27775   1
      308   .   1   1   87   87   LEU   C    C   13   178.585   .       .   1   .   .   167   .   .   87   LEU   C    .   27775   1
      309   .   1   1   87   87   LEU   CA   C   13   55.470    .       .   1   .   .   165   .   .   87   LEU   CA   .   27775   1
      310   .   1   1   87   87   LEU   CB   C   13   42.112    .       .   1   .   .   263   .   .   87   LEU   CB   .   27775   1
      311   .   1   1   87   87   LEU   N    N   15   122.304   0.065   .   1   .   .   166   .   .   87   LEU   N    .   27775   1
      312   .   1   1   88   88   GLU   H    H   1    8.227     0.0     .   1   .   .   168   .   .   88   GLU   H    .   27775   1
      313   .   1   1   88   88   GLU   C    C   13   177.273   .       .   1   .   .   171   .   .   88   GLU   C    .   27775   1
      314   .   1   1   88   88   GLU   CA   C   13   56.877    .       .   1   .   .   169   .   .   88   GLU   CA   .   27775   1
      315   .   1   1   88   88   GLU   CB   C   13   30.066    .       .   1   .   .   235   .   .   88   GLU   CB   .   27775   1
      316   .   1   1   88   88   GLU   N    N   15   119.873   0.026   .   1   .   .   170   .   .   88   GLU   N    .   27775   1
   stop_
save_