Content for NMR-STAR saveframe, "assigned_chemical_shifts_1"

    save_assigned_chemical_shifts_1
   _Assigned_chem_shift_list.Sf_category                   assigned_chemical_shifts
   _Assigned_chem_shift_list.Sf_framecode                  assigned_chemical_shifts_1
   _Assigned_chem_shift_list.Entry_ID                      50622
   _Assigned_chem_shift_list.ID                            1
   _Assigned_chem_shift_list.Name                          Nsp9_2A_final_pathways
   _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    $chem_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'   .   .   .   50622   1
      2   '3D HNCO'          .   .   .   50622   1
      3   '3D HNCA'          .   .   .   50622   1
      4   '3D HN(CO)CA'      .   .   .   50622   1
      5   HNCACB             .   .   .   50622   1
      6   NOESY-HSQC         .   .   .   50622   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   $software_1   .   .   50622   1
   stop_

   loop_
      _Atom_chem_shift.ID
      _Atom_chem_shift.Assembly_atom_ID
      _Atom_chem_shift.Entity_assembly_ID
      _Atom_chem_shift.Entity_assembly_asym_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   2     2     ALA   C    C   13   177.8768849   0.003286516116    .   1   .   .   .   .   A   -2    ALA   C    .   50622   1
      2     .   1   .   1   2     2     ALA   CA   C   13   52.89051997   0.2073700616      .   1   .   .   .   .   A   -2    ALA   CA   .   50622   1
      3     .   1   .   1   2     2     ALA   CB   C   13   19.56058997   0                 .   1   .   .   .   .   A   -2    ALA   CB   .   50622   1
      4     .   1   .   1   3     3     MET   H    H   1    8.534133145   0.004701378302    .   1   .   .   .   .   A   -1    MET   H    .   50622   1
      5     .   1   .   1   3     3     MET   C    C   13   176.6755808   0.01534584271     .   1   .   .   .   .   A   -1    MET   C    .   50622   1
      6     .   1   .   1   3     3     MET   CA   C   13   55.6103365    0.05752980896     .   1   .   .   .   .   A   -1    MET   CA   .   50622   1
      7     .   1   .   1   3     3     MET   CB   C   13   32.86462006   0                 .   1   .   .   .   .   A   -1    MET   CB   .   50622   1
      8     .   1   .   1   3     3     MET   N    N   15   119.4398125   0.08316975245     .   1   .   .   .   .   A   -1    MET   N    .   50622   1
      9     .   1   .   1   4     4     GLY   H    H   1    8.405370738   0.003057428192    .   1   .   .   .   .   A   0     GLY   H    .   50622   1
      10    .   1   .   1   4     4     GLY   C    C   13   173.846922    0                 .   1   .   .   .   .   A   0     GLY   C    .   50622   1
      11    .   1   .   1   4     4     GLY   CA   C   13   45.30920094   0.04820762104     .   1   .   .   .   .   A   0     GLY   CA   .   50622   1
      12    .   1   .   1   4     4     GLY   N    N   15   110.0111755   0.0146405718      .   1   .   .   .   .   A   0     GLY   N    .   50622   1
      13    .   1   .   1   5     5     ASN   H    H   1    8.39641941    0.003665596476    .   1   .   .   .   .   A   1     ASN   H    .   50622   1
      14    .   1   .   1   5     5     ASN   C    C   13   175.1349664   0                 .   1   .   .   .   .   A   1     ASN   C    .   50622   1
      15    .   1   .   1   5     5     ASN   CA   C   13   53.34322164   0.08917233422     .   1   .   .   .   .   A   1     ASN   CA   .   50622   1
      16    .   1   .   1   5     5     ASN   CB   C   13   38.96111826   0                 .   1   .   .   .   .   A   1     ASN   CB   .   50622   1
      17    .   1   .   1   5     5     ASN   N    N   15   118.7929429   0.01547402823     .   1   .   .   .   .   A   1     ASN   N    .   50622   1
      18    .   1   .   1   6     6     ASN   H    H   1    8.52201336    0.007445834456    .   1   .   .   .   .   A   2     ASN   H    .   50622   1
      19    .   1   .   1   6     6     ASN   C    C   13   175.0137635   0.01457308459     .   1   .   .   .   .   A   2     ASN   C    .   50622   1
      20    .   1   .   1   6     6     ASN   CA   C   13   53.43267245   0.05647967336     .   1   .   .   .   .   A   2     ASN   CA   .   50622   1
      21    .   1   .   1   6     6     ASN   CB   C   13   38.94758612   0                 .   1   .   .   .   .   A   2     ASN   CB   .   50622   1
      22    .   1   .   1   6     6     ASN   N    N   15   119.0851648   0.1053577607      .   1   .   .   .   .   A   2     ASN   N    .   50622   1
      23    .   1   .   1   7     7     GLU   H    H   1    8.312630721   0.002933103191    .   1   .   .   .   .   A   3     GLU   H    .   50622   1
      24    .   1   .   1   7     7     GLU   C    C   13   176.1500669   0                 .   1   .   .   .   .   A   3     GLU   C    .   50622   1
      25    .   1   .   1   7     7     GLU   CA   C   13   56.75316478   0.0196952648      .   1   .   .   .   .   A   3     GLU   CA   .   50622   1
      26    .   1   .   1   7     7     GLU   CB   C   13   30.46844431   0                 .   1   .   .   .   .   A   3     GLU   CB   .   50622   1
      27    .   1   .   1   7     7     GLU   N    N   15   120.731063    0.02931968781     .   1   .   .   .   .   A   3     GLU   N    .   50622   1
      28    .   1   .   1   8     8     LEU   H    H   1    8.153756258   0.006754897805    .   1   .   .   .   .   A   4     LEU   H    .   50622   1
      29    .   1   .   1   8     8     LEU   CA   C   13   55.09278252   0.03092596719     .   1   .   .   .   .   A   4     LEU   CA   .   50622   1
      30    .   1   .   1   8     8     LEU   CB   C   13   42.57158295   0                 .   1   .   .   .   .   A   4     LEU   CB   .   50622   1
      31    .   1   .   1   8     8     LEU   N    N   15   122.3892311   0.1098748858      .   1   .   .   .   .   A   4     LEU   N    .   50622   1
      32    .   1   .   1   14    14    ARG   C    C   13   174.0233036   0                 .   1   .   .   .   .   A   10    ARG   C    .   50622   1
      33    .   1   .   1   15    15    GLN   H    H   1    8.240633281   0.005188589114    .   1   .   .   .   .   A   11    GLN   H    .   50622   1
      34    .   1   .   1   15    15    GLN   C    C   13   176.1636102   0                 .   1   .   .   .   .   A   11    GLN   C    .   50622   1
      35    .   1   .   1   15    15    GLN   CA   C   13   53.99091516   0.07967121678     .   1   .   .   .   .   A   11    GLN   CA   .   50622   1
      36    .   1   .   1   15    15    GLN   CB   C   13   33.02437254   0                 .   1   .   .   .   .   A   11    GLN   CB   .   50622   1
      37    .   1   .   1   15    15    GLN   N    N   15   115.8068214   0.04517549932     .   1   .   .   .   .   A   11    GLN   N    .   50622   1
      38    .   1   .   1   16    16    MET   H    H   1    9.078074723   0.002751739451    .   1   .   .   .   .   A   12    MET   H    .   50622   1
      39    .   1   .   1   16    16    MET   C    C   13   173.8718664   0.002092122366    .   1   .   .   .   .   A   12    MET   C    .   50622   1
      40    .   1   .   1   16    16    MET   CA   C   13   54.47221365   0.02654042539     .   1   .   .   .   .   A   12    MET   CA   .   50622   1
      41    .   1   .   1   16    16    MET   N    N   15   118.711165    0.01387775711     .   1   .   .   .   .   A   12    MET   N    .   50622   1
      42    .   1   .   1   17    17    SER   H    H   1    8.912073574   0.007983158638    .   1   .   .   .   .   A   13    SER   H    .   50622   1
      43    .   1   .   1   17    17    SER   C    C   13   174.0786744   0                 .   1   .   .   .   .   A   13    SER   C    .   50622   1
      44    .   1   .   1   17    17    SER   CA   C   13   59.21928623   0.08632485461     .   1   .   .   .   .   A   13    SER   CA   .   50622   1
      45    .   1   .   1   17    17    SER   CB   C   13   63.81502736   0                 .   1   .   .   .   .   A   13    SER   CB   .   50622   1
      46    .   1   .   1   17    17    SER   N    N   15   119.4374594   0.04612547802     .   1   .   .   .   .   A   13    SER   N    .   50622   1
      47    .   1   .   1   18    18    CYS   H    H   1    8.690657002   0.002941236625    .   1   .   .   .   .   A   14    CYS   H    .   50622   1
      48    .   1   .   1   18    18    CYS   C    C   13   170.4104255   0.001079025069    .   1   .   .   .   .   A   14    CYS   C    .   50622   1
      49    .   1   .   1   18    18    CYS   CA   C   13   57.09517876   0.08719558468     .   1   .   .   .   .   A   14    CYS   CA   .   50622   1
      50    .   1   .   1   18    18    CYS   CB   C   13   31.69001001   0                 .   1   .   .   .   .   A   14    CYS   CB   .   50622   1
      51    .   1   .   1   18    18    CYS   N    N   15   118.8238322   0.02273719769     .   1   .   .   .   .   A   14    CYS   N    .   50622   1
      52    .   1   .   1   19    19    ALA   H    H   1    7.792351832   0.001567001776    .   1   .   .   .   .   A   15    ALA   H    .   50622   1
      53    .   1   .   1   19    19    ALA   C    C   13   175.4192901   0.01771794315     .   1   .   .   .   .   A   15    ALA   C    .   50622   1
      54    .   1   .   1   19    19    ALA   CA   C   13   50.91941454   0.02342141553     .   1   .   .   .   .   A   15    ALA   CA   .   50622   1
      55    .   1   .   1   19    19    ALA   CB   C   13   21.38401939   0                 .   1   .   .   .   .   A   15    ALA   CB   .   50622   1
      56    .   1   .   1   19    19    ALA   N    N   15   122.3350718   0.03995941533     .   1   .   .   .   .   A   15    ALA   N    .   50622   1
      57    .   1   .   1   20    20    ALA   H    H   1    8.966178607   0.004716606536    .   1   .   .   .   .   A   16    ALA   H    .   50622   1
      58    .   1   .   1   20    20    ALA   C    C   13   177.6408593   0                 .   1   .   .   .   .   A   16    ALA   C    .   50622   1
      59    .   1   .   1   20    20    ALA   CA   C   13   50.96638062   0.0003549142244   .   1   .   .   .   .   A   16    ALA   CA   .   50622   1
      60    .   1   .   1   20    20    ALA   CB   C   13   24.46698774   0                 .   1   .   .   .   .   A   16    ALA   CB   .   50622   1
      61    .   1   .   1   20    20    ALA   N    N   15   124.1618023   0.05357794045     .   1   .   .   .   .   A   16    ALA   N    .   50622   1
      62    .   1   .   1   21    21    GLY   H    H   1    8.93261424    0.00291145777     .   1   .   .   .   .   A   17    GLY   H    .   50622   1
      63    .   1   .   1   21    21    GLY   C    C   13   174.456       0                 .   1   .   .   .   .   A   17    GLY   C    .   50622   1
      64    .   1   .   1   21    21    GLY   CA   C   13   45.84530238   0                 .   1   .   .   .   .   A   17    GLY   CA   .   50622   1
      65    .   1   .   1   21    21    GLY   N    N   15   107.4176239   0.01306664342     .   1   .   .   .   .   A   17    GLY   N    .   50622   1
      66    .   1   .   1   22    22    THR   H    H   1    9.351745742   0.004281975782    .   1   .   .   .   .   A   18    THR   H    .   50622   1
      67    .   1   .   1   22    22    THR   C    C   13   173.6127379   0                 .   1   .   .   .   .   A   18    THR   C    .   50622   1
      68    .   1   .   1   22    22    THR   CA   C   13   64.99314054   0                 .   1   .   .   .   .   A   18    THR   CA   .   50622   1
      69    .   1   .   1   22    22    THR   N    N   15   116.356423    0.0279749372      .   1   .   .   .   .   A   18    THR   N    .   50622   1
      70    .   1   .   1   23    23    THR   H    H   1    7.247469466   0.003534031551    .   1   .   .   .   .   A   19    THR   H    .   50622   1
      71    .   1   .   1   23    23    THR   C    C   13   174.4455916   0                 .   1   .   .   .   .   A   19    THR   C    .   50622   1
      72    .   1   .   1   23    23    THR   CA   C   13   59.21064481   0                 .   1   .   .   .   .   A   19    THR   CA   .   50622   1
      73    .   1   .   1   23    23    THR   N    N   15   108.4816496   0.03528051577     .   1   .   .   .   .   A   19    THR   N    .   50622   1
      74    .   1   .   1   24    24    GLN   H    H   1    8.534335553   0.003762194909    .   1   .   .   .   .   A   20    GLN   H    .   50622   1
      75    .   1   .   1   24    24    GLN   C    C   13   178.1123765   0                 .   1   .   .   .   .   A   20    GLN   C    .   50622   1
      76    .   1   .   1   24    24    GLN   CA   C   13   59.84822932   0.00482403618     .   1   .   .   .   .   A   20    GLN   CA   .   50622   1
      77    .   1   .   1   24    24    GLN   CB   C   13   26.7708477    0                 .   1   .   .   .   .   A   20    GLN   CB   .   50622   1
      78    .   1   .   1   24    24    GLN   N    N   15   120.0092155   0.02775082317     .   1   .   .   .   .   A   20    GLN   N    .   50622   1
      79    .   1   .   1   25    25    THR   H    H   1    7.512787496   0.004620302626    .   1   .   .   .   .   A   21    THR   H    .   50622   1
      80    .   1   .   1   25    25    THR   C    C   13   174.6263688   0                 .   1   .   .   .   .   A   21    THR   C    .   50622   1
      81    .   1   .   1   25    25    THR   CA   C   13   63.42182485   0                 .   1   .   .   .   .   A   21    THR   CA   .   50622   1
      82    .   1   .   1   25    25    THR   N    N   15   108.1769384   0.01293764124     .   1   .   .   .   .   A   21    THR   N    .   50622   1
      83    .   1   .   1   26    26    ALA   H    H   1    7.296205511   0.00113861725     .   1   .   .   .   .   A   22    ALA   H    .   50622   1
      84    .   1   .   1   26    26    ALA   C    C   13   177.2024054   0                 .   1   .   .   .   .   A   22    ALA   C    .   50622   1
      85    .   1   .   1   26    26    ALA   CA   C   13   51.73124554   0.01981601938     .   1   .   .   .   .   A   22    ALA   CA   .   50622   1
      86    .   1   .   1   26    26    ALA   CB   C   13   19.44174267   0                 .   1   .   .   .   .   A   22    ALA   CB   .   50622   1
      87    .   1   .   1   26    26    ALA   N    N   15   122.8662188   0.02090154264     .   1   .   .   .   .   A   22    ALA   N    .   50622   1
      88    .   1   .   1   27    27    CYS   H    H   1    7.359807946   0.004560881156    .   1   .   .   .   .   A   23    CYS   H    .   50622   1
      89    .   1   .   1   27    27    CYS   C    C   13   174.367713    0.0162800787      .   1   .   .   .   .   A   23    CYS   C    .   50622   1
      90    .   1   .   1   27    27    CYS   CA   C   13   59.9625155    0.005232024268    .   1   .   .   .   .   A   23    CYS   CA   .   50622   1
      91    .   1   .   1   27    27    CYS   N    N   15   118.2500608   0.03199185013     .   1   .   .   .   .   A   23    CYS   N    .   50622   1
      92    .   1   .   1   28    28    THR   H    H   1    8.398675561   0.001637120288    .   1   .   .   .   .   A   24    THR   H    .   50622   1
      93    .   1   .   1   28    28    THR   C    C   13   173.3005427   0.003893834366    .   1   .   .   .   .   A   24    THR   C    .   50622   1
      94    .   1   .   1   28    28    THR   CA   C   13   61.42896659   0.02447074652     .   1   .   .   .   .   A   24    THR   CA   .   50622   1
      95    .   1   .   1   28    28    THR   N    N   15   118.2873358   0.01163824524     .   1   .   .   .   .   A   24    THR   N    .   50622   1
      96    .   1   .   1   29    29    ASP   H    H   1    8.309321315   0.002991380226    .   1   .   .   .   .   A   25    ASP   H    .   50622   1
      97    .   1   .   1   29    29    ASP   C    C   13   175.7407817   0.02384576552     .   1   .   .   .   .   A   25    ASP   C    .   50622   1
      98    .   1   .   1   29    29    ASP   CA   C   13   54.44468182   0.04329918499     .   1   .   .   .   .   A   25    ASP   CA   .   50622   1
      99    .   1   .   1   29    29    ASP   CB   C   13   42.39034781   0.004742400036    .   1   .   .   .   .   A   25    ASP   CB   .   50622   1
      100   .   1   .   1   29    29    ASP   N    N   15   122.6892231   0.01467164915     .   1   .   .   .   .   A   25    ASP   N    .   50622   1
      101   .   1   .   1   30    30    ASP   H    H   1    8.549404622   0.0007460308876   .   1   .   .   .   .   A   26    ASP   H    .   50622   1
      102   .   1   .   1   30    30    ASP   C    C   13   176.3698465   0                 .   1   .   .   .   .   A   26    ASP   C    .   50622   1
      103   .   1   .   1   30    30    ASP   CA   C   13   55.74654062   0.006483507058    .   1   .   .   .   .   A   26    ASP   CA   .   50622   1
      104   .   1   .   1   30    30    ASP   CB   C   13   39.65194421   0                 .   1   .   .   .   .   A   26    ASP   CB   .   50622   1
      105   .   1   .   1   30    30    ASP   N    N   15   120.2300247   0.01872403225     .   1   .   .   .   .   A   26    ASP   N    .   50622   1
      106   .   1   .   1   31    31    ASN   H    H   1    8.590871222   0.002027938534    .   1   .   .   .   .   A   27    ASN   H    .   50622   1
      107   .   1   .   1   31    31    ASN   C    C   13   174.6362402   0                 .   1   .   .   .   .   A   27    ASN   C    .   50622   1
      108   .   1   .   1   31    31    ASN   CA   C   13   52.54481222   0.1088565907      .   1   .   .   .   .   A   27    ASN   CA   .   50622   1
      109   .   1   .   1   31    31    ASN   CB   C   13   38.88511942   0                 .   1   .   .   .   .   A   27    ASN   CB   .   50622   1
      110   .   1   .   1   31    31    ASN   N    N   15   120.7025824   0.01118722655     .   1   .   .   .   .   A   27    ASN   N    .   50622   1
      111   .   1   .   1   32    32    ALA   H    H   1    8.368517605   0.001852458205    .   1   .   .   .   .   A   28    ALA   H    .   50622   1
      112   .   1   .   1   32    32    ALA   C    C   13   174.8722111   0                 .   1   .   .   .   .   A   28    ALA   C    .   50622   1
      113   .   1   .   1   32    32    ALA   CA   C   13   51.40373452   0.08704725435     .   1   .   .   .   .   A   28    ALA   CA   .   50622   1
      114   .   1   .   1   32    32    ALA   CB   C   13   22.49223022   0                 .   1   .   .   .   .   A   28    ALA   CB   .   50622   1
      115   .   1   .   1   32    32    ALA   N    N   15   121.6545466   0.01923140024     .   1   .   .   .   .   A   28    ALA   N    .   50622   1
      116   .   1   .   1   33    33    LEU   H    H   1    8.624622377   0.006255172391    .   1   .   .   .   .   A   29    LEU   H    .   50622   1
      117   .   1   .   1   33    33    LEU   C    C   13   174.9438673   0                 .   1   .   .   .   .   A   29    LEU   C    .   50622   1
      118   .   1   .   1   33    33    LEU   CA   C   13   53.59982197   0.007032354188    .   1   .   .   .   .   A   29    LEU   CA   .   50622   1
      119   .   1   .   1   33    33    LEU   CB   C   13   45.23235027   0                 .   1   .   .   .   .   A   29    LEU   CB   .   50622   1
      120   .   1   .   1   33    33    LEU   N    N   15   121.2056047   0.04247583242     .   1   .   .   .   .   A   29    LEU   N    .   50622   1
      121   .   1   .   1   34    34    ALA   H    H   1    9.620352397   0.00174013136     .   1   .   .   .   .   A   30    ALA   H    .   50622   1
      122   .   1   .   1   34    34    ALA   C    C   13   176.6358706   0                 .   1   .   .   .   .   A   30    ALA   C    .   50622   1
      123   .   1   .   1   34    34    ALA   CA   C   13   50.2706633    0                 .   1   .   .   .   .   A   30    ALA   CA   .   50622   1
      124   .   1   .   1   34    34    ALA   N    N   15   125.6288215   0.01583426137     .   1   .   .   .   .   A   30    ALA   N    .   50622   1
      125   .   1   .   1   35    35    TYR   H    H   1    9.11268924    0.003180333512    .   1   .   .   .   .   A   31    TYR   H    .   50622   1
      126   .   1   .   1   35    35    TYR   C    C   13   176.0236166   0                 .   1   .   .   .   .   A   31    TYR   C    .   50622   1
      127   .   1   .   1   35    35    TYR   CA   C   13   57.05335878   0                 .   1   .   .   .   .   A   31    TYR   CA   .   50622   1
      128   .   1   .   1   35    35    TYR   N    N   15   120.5446812   0.01915329249     .   1   .   .   .   .   A   31    TYR   N    .   50622   1
      129   .   1   .   1   36    36    TYR   H    H   1    9.252877195   0.004393673916    .   1   .   .   .   .   A   32    TYR   H    .   50622   1
      130   .   1   .   1   36    36    TYR   C    C   13   172.1731011   0                 .   1   .   .   .   .   A   32    TYR   C    .   50622   1
      131   .   1   .   1   36    36    TYR   CA   C   13   55.36399951   0                 .   1   .   .   .   .   A   32    TYR   CA   .   50622   1
      132   .   1   .   1   36    36    TYR   N    N   15   119.8210134   0.01623844897     .   1   .   .   .   .   A   32    TYR   N    .   50622   1
      133   .   1   .   1   37    37    ASN   H    H   1    8.944644127   0.004615870097    .   1   .   .   .   .   A   33    ASN   H    .   50622   1
      134   .   1   .   1   37    37    ASN   C    C   13   174.9655404   0                 .   1   .   .   .   .   A   33    ASN   C    .   50622   1
      135   .   1   .   1   37    37    ASN   CA   C   13   50.99838704   0.02771051067     .   1   .   .   .   .   A   33    ASN   CA   .   50622   1
      136   .   1   .   1   37    37    ASN   CB   C   13   41.86156578   0                 .   1   .   .   .   .   A   33    ASN   CB   .   50622   1
      137   .   1   .   1   37    37    ASN   N    N   15   118.0280553   0.01932683076     .   1   .   .   .   .   A   33    ASN   N    .   50622   1
      138   .   1   .   1   38    38    THR   H    H   1    8.471678502   0.0007964473715   .   1   .   .   .   .   A   34    THR   H    .   50622   1
      139   .   1   .   1   38    38    THR   C    C   13   174.2886501   0                 .   1   .   .   .   .   A   34    THR   C    .   50622   1
      140   .   1   .   1   38    38    THR   CA   C   13   62.17569427   0                 .   1   .   .   .   .   A   34    THR   CA   .   50622   1
      141   .   1   .   1   38    38    THR   CB   C   13   69.49167884   0                 .   1   .   .   .   .   A   34    THR   CB   .   50622   1
      142   .   1   .   1   38    38    THR   N    N   15   116.8210586   0.01874693588     .   1   .   .   .   .   A   34    THR   N    .   50622   1
      143   .   1   .   1   39    39    THR   H    H   1    8.379958617   0.008115031068    .   1   .   .   .   .   A   35    THR   H    .   50622   1
      144   .   1   .   1   39    39    THR   C    C   13   175.184       0                 .   1   .   .   .   .   A   35    THR   C    .   50622   1
      145   .   1   .   1   39    39    THR   CA   C   13   60.49858729   0.127969263       .   1   .   .   .   .   A   35    THR   CA   .   50622   1
      146   .   1   .   1   39    39    THR   CB   C   13   71.18661385   0                 .   1   .   .   .   .   A   35    THR   CB   .   50622   1
      147   .   1   .   1   39    39    THR   N    N   15   117.5037403   0.06030233841     .   1   .   .   .   .   A   35    THR   N    .   50622   1
      148   .   1   .   1   41    41    GLY   C    C   13   174.0340597   0.02418582912     .   1   .   .   .   .   A   37    GLY   C    .   50622   1
      149   .   1   .   1   41    41    GLY   CA   C   13   45.26252151   0                 .   1   .   .   .   .   A   37    GLY   CA   .   50622   1
      150   .   1   .   1   42    42    GLY   H    H   1    7.730956447   0.001609572213    .   1   .   .   .   .   A   38    GLY   H    .   50622   1
      151   .   1   .   1   42    42    GLY   C    C   13   172.5266905   0                 .   1   .   .   .   .   A   38    GLY   C    .   50622   1
      152   .   1   .   1   42    42    GLY   CA   C   13   44.63644768   0.08798753157     .   1   .   .   .   .   A   38    GLY   CA   .   50622   1
      153   .   1   .   1   42    42    GLY   N    N   15   108.8512499   0.008889144434    .   1   .   .   .   .   A   38    GLY   N    .   50622   1
      154   .   1   .   1   43    43    ARG   H    H   1    8.290897675   0.002120919049    .   1   .   .   .   .   A   39    ARG   H    .   50622   1
      155   .   1   .   1   43    43    ARG   C    C   13   175.0973441   0                 .   1   .   .   .   .   A   39    ARG   C    .   50622   1
      156   .   1   .   1   43    43    ARG   CA   C   13   56.32936606   0.1143875001      .   1   .   .   .   .   A   39    ARG   CA   .   50622   1
      157   .   1   .   1   43    43    ARG   CB   C   13   31.37709734   0                 .   1   .   .   .   .   A   39    ARG   CB   .   50622   1
      158   .   1   .   1   43    43    ARG   N    N   15   121.0809636   0.013529968       .   1   .   .   .   .   A   39    ARG   N    .   50622   1
      159   .   1   .   1   44    44    PHE   H    H   1    9.068299235   0.001794278142    .   1   .   .   .   .   A   40    PHE   H    .   50622   1
      160   .   1   .   1   44    44    PHE   C    C   13   174.1289621   0                 .   1   .   .   .   .   A   40    PHE   C    .   50622   1
      161   .   1   .   1   44    44    PHE   CA   C   13   56.24300642   0                 .   1   .   .   .   .   A   40    PHE   CA   .   50622   1
      162   .   1   .   1   44    44    PHE   N    N   15   126.5665094   0.02985187634     .   1   .   .   .   .   A   40    PHE   N    .   50622   1
      163   .   1   .   1   45    45    VAL   H    H   1    8.12132893    0.002291131611    .   1   .   .   .   .   A   41    VAL   H    .   50622   1
      164   .   1   .   1   45    45    VAL   C    C   13   174.2453106   0                 .   1   .   .   .   .   A   41    VAL   C    .   50622   1
      165   .   1   .   1   45    45    VAL   CA   C   13   63.35541517   0                 .   1   .   .   .   .   A   41    VAL   CA   .   50622   1
      166   .   1   .   1   45    45    VAL   N    N   15   126.9583965   0.02337630692     .   1   .   .   .   .   A   41    VAL   N    .   50622   1
      167   .   1   .   1   46    46    LEU   H    H   1    8.709544363   0.0008789046182   .   1   .   .   .   .   A   42    LEU   H    .   50622   1
      168   .   1   .   1   46    46    LEU   C    C   13   176.1219997   0                 .   1   .   .   .   .   A   42    LEU   C    .   50622   1
      169   .   1   .   1   46    46    LEU   CA   C   13   56.33299354   0                 .   1   .   .   .   .   A   42    LEU   CA   .   50622   1
      170   .   1   .   1   46    46    LEU   N    N   15   123.7628591   0.01025747118     .   1   .   .   .   .   A   42    LEU   N    .   50622   1
      171   .   1   .   1   47    47    ALA   H    H   1    7.48960041    0.002390576078    .   1   .   .   .   .   A   43    ALA   H    .   50622   1
      172   .   1   .   1   47    47    ALA   C    C   13   174.536103    0                 .   1   .   .   .   .   A   43    ALA   C    .   50622   1
      173   .   1   .   1   47    47    ALA   CA   C   13   50.99106269   0.01516164345     .   1   .   .   .   .   A   43    ALA   CA   .   50622   1
      174   .   1   .   1   47    47    ALA   CB   C   13   24.38297189   0                 .   1   .   .   .   .   A   43    ALA   CB   .   50622   1
      175   .   1   .   1   47    47    ALA   N    N   15   114.9811739   0.02590609032     .   1   .   .   .   .   A   43    ALA   N    .   50622   1
      176   .   1   .   1   48    48    LEU   H    H   1    9.486553244   0.006029935645    .   1   .   .   .   .   A   44    LEU   H    .   50622   1
      177   .   1   .   1   48    48    LEU   C    C   13   175.1738396   0                 .   1   .   .   .   .   A   44    LEU   C    .   50622   1
      178   .   1   .   1   48    48    LEU   CA   C   13   53.95924257   0.0911338157      .   1   .   .   .   .   A   44    LEU   CA   .   50622   1
      179   .   1   .   1   48    48    LEU   CB   C   13   47.10885457   0                 .   1   .   .   .   .   A   44    LEU   CB   .   50622   1
      180   .   1   .   1   48    48    LEU   N    N   15   120.5757083   0.07853372314     .   1   .   .   .   .   A   44    LEU   N    .   50622   1
      181   .   1   .   1   49    49    LEU   H    H   1    9.56950775    0.001413319109    .   1   .   .   .   .   A   45    LEU   H    .   50622   1
      182   .   1   .   1   49    49    LEU   C    C   13   177.1903851   0                 .   1   .   .   .   .   A   45    LEU   C    .   50622   1
      183   .   1   .   1   49    49    LEU   CA   C   13   53.47208157   0.01972829978     .   1   .   .   .   .   A   45    LEU   CA   .   50622   1
      184   .   1   .   1   49    49    LEU   CB   C   13   47.19122821   0                 .   1   .   .   .   .   A   45    LEU   CB   .   50622   1
      185   .   1   .   1   49    49    LEU   N    N   15   122.4624935   0.01620440086     .   1   .   .   .   .   A   45    LEU   N    .   50622   1
      186   .   1   .   1   50    50    SER   H    H   1    9.419227319   0.004751942655    .   1   .   .   .   .   A   46    SER   H    .   50622   1
      187   .   1   .   1   50    50    SER   C    C   13   172.7927021   0                 .   1   .   .   .   .   A   46    SER   C    .   50622   1
      188   .   1   .   1   50    50    SER   CA   C   13   57.12212378   0.08126552219     .   1   .   .   .   .   A   46    SER   CA   .   50622   1
      189   .   1   .   1   50    50    SER   CB   C   13   65.73924432   0                 .   1   .   .   .   .   A   46    SER   CB   .   50622   1
      190   .   1   .   1   50    50    SER   N    N   15   117.9097493   0.03866557303     .   1   .   .   .   .   A   46    SER   N    .   50622   1
      191   .   1   .   1   51    51    ASP   H    H   1    8.944029713   0.00199231068     .   1   .   .   .   .   A   47    ASP   H    .   50622   1
      192   .   1   .   1   51    51    ASP   C    C   13   176.6184906   0                 .   1   .   .   .   .   A   47    ASP   C    .   50622   1
      193   .   1   .   1   51    51    ASP   CA   C   13   56.10710929   0                 .   1   .   .   .   .   A   47    ASP   CA   .   50622   1
      194   .   1   .   1   51    51    ASP   N    N   15   124.240955    0.01657758807     .   1   .   .   .   .   A   47    ASP   N    .   50622   1
      195   .   1   .   1   52    52    LEU   H    H   1    8.448446385   0.001593818398    .   1   .   .   .   .   A   48    LEU   H    .   50622   1
      196   .   1   .   1   52    52    LEU   C    C   13   178.1949144   0                 .   1   .   .   .   .   A   48    LEU   C    .   50622   1
      197   .   1   .   1   52    52    LEU   CA   C   13   54.79591846   0.1165502682      .   1   .   .   .   .   A   48    LEU   CA   .   50622   1
      198   .   1   .   1   52    52    LEU   CB   C   13   42.3987097    0                 .   1   .   .   .   .   A   48    LEU   CB   .   50622   1
      199   .   1   .   1   52    52    LEU   N    N   15   119.6411759   0.01466076979     .   1   .   .   .   .   A   48    LEU   N    .   50622   1
      200   .   1   .   1   53    53    GLN   C    C   13   174.7169367   0                 .   1   .   .   .   .   A   49    GLN   C    .   50622   1
      201   .   1   .   1   53    53    GLN   CA   C   13   56.22224893   0.02013818709     .   1   .   .   .   .   A   49    GLN   CA   .   50622   1
      202   .   1   .   1   54    54    ASP   H    H   1    7.992116699   0.002014402444    .   1   .   .   .   .   A   50    ASP   H    .   50622   1
      203   .   1   .   1   54    54    ASP   C    C   13   175.7824877   0                 .   1   .   .   .   .   A   50    ASP   C    .   50622   1
      204   .   1   .   1   54    54    ASP   CA   C   13   53.37744995   0                 .   1   .   .   .   .   A   50    ASP   CA   .   50622   1
      205   .   1   .   1   54    54    ASP   N    N   15   116.8840396   0.0119846545      .   1   .   .   .   .   A   50    ASP   N    .   50622   1
      206   .   1   .   1   55    55    LEU   H    H   1    7.677942684   0.001642449868    .   1   .   .   .   .   A   51    LEU   H    .   50622   1
      207   .   1   .   1   55    55    LEU   C    C   13   175.9999615   0                 .   1   .   .   .   .   A   51    LEU   C    .   50622   1
      208   .   1   .   1   55    55    LEU   CA   C   13   55.85937262   0.05420700219     .   1   .   .   .   .   A   51    LEU   CA   .   50622   1
      209   .   1   .   1   55    55    LEU   CB   C   13   41.01408242   0                 .   1   .   .   .   .   A   51    LEU   CB   .   50622   1
      210   .   1   .   1   55    55    LEU   N    N   15   117.2794471   0.02061542552     .   1   .   .   .   .   A   51    LEU   N    .   50622   1
      211   .   1   .   1   56    56    LYS   H    H   1    7.983543635   0.002239717812    .   1   .   .   .   .   A   52    LYS   H    .   50622   1
      212   .   1   .   1   56    56    LYS   C    C   13   173.9394001   0                 .   1   .   .   .   .   A   52    LYS   C    .   50622   1
      213   .   1   .   1   56    56    LYS   CA   C   13   56.62745562   0                 .   1   .   .   .   .   A   52    LYS   CA   .   50622   1
      214   .   1   .   1   56    56    LYS   N    N   15   118.3462232   0.04676701309     .   1   .   .   .   .   A   52    LYS   N    .   50622   1
      215   .   1   .   1   57    57    TRP   H    H   1    7.995405338   0.003863235155    .   1   .   .   .   .   A   53    TRP   H    .   50622   1
      216   .   1   .   1   57    57    TRP   C    C   13   173.7764533   0.03139601343     .   1   .   .   .   .   A   53    TRP   C    .   50622   1
      217   .   1   .   1   57    57    TRP   CA   C   13   55.56744882   0.1035380873      .   1   .   .   .   .   A   53    TRP   CA   .   50622   1
      218   .   1   .   1   57    57    TRP   CB   C   13   34.7524683    0                 .   1   .   .   .   .   A   53    TRP   CB   .   50622   1
      219   .   1   .   1   57    57    TRP   N    N   15   117.5112989   0.04857218186     .   1   .   .   .   .   A   53    TRP   N    .   50622   1
      220   .   1   .   1   58    58    ALA   H    H   1    9.028329662   0.002726341201    .   1   .   .   .   .   A   54    ALA   H    .   50622   1
      221   .   1   .   1   58    58    ALA   C    C   13   174.4894813   0                 .   1   .   .   .   .   A   54    ALA   C    .   50622   1
      222   .   1   .   1   58    58    ALA   CA   C   13   50.66579072   0.03397785451     .   1   .   .   .   .   A   54    ALA   CA   .   50622   1
      223   .   1   .   1   58    58    ALA   N    N   15   120.9220403   0.01508685382     .   1   .   .   .   .   A   54    ALA   N    .   50622   1
      224   .   1   .   1   59    59    ARG   H    H   1    8.253976694   0.003934641533    .   1   .   .   .   .   A   55    ARG   H    .   50622   1
      225   .   1   .   1   59    59    ARG   C    C   13   174.0733802   0                 .   1   .   .   .   .   A   55    ARG   C    .   50622   1
      226   .   1   .   1   59    59    ARG   CA   C   13   54.15766284   0.1411063903      .   1   .   .   .   .   A   55    ARG   CA   .   50622   1
      227   .   1   .   1   59    59    ARG   CB   C   13   33.94073313   0                 .   1   .   .   .   .   A   55    ARG   CB   .   50622   1
      228   .   1   .   1   59    59    ARG   N    N   15   121.2436703   0.04199692043     .   1   .   .   .   .   A   55    ARG   N    .   50622   1
      229   .   1   .   1   60    60    PHE   H    H   1    8.685077878   0.00294016632     .   1   .   .   .   .   A   56    PHE   H    .   50622   1
      230   .   1   .   1   60    60    PHE   C    C   13   172.5975181   0                 .   1   .   .   .   .   A   56    PHE   C    .   50622   1
      231   .   1   .   1   60    60    PHE   CA   C   13   54.4743133    0.01326632973     .   1   .   .   .   .   A   56    PHE   CA   .   50622   1
      232   .   1   .   1   60    60    PHE   CB   C   13   40.7926899    0                 .   1   .   .   .   .   A   56    PHE   CB   .   50622   1
      233   .   1   .   1   60    60    PHE   N    N   15   122.9533361   0.02971031648     .   1   .   .   .   .   A   56    PHE   N    .   50622   1
      234   .   1   .   1   61    61    PRO   C    C   13   177.7751782   0                 .   1   .   .   .   .   A   57    PRO   C    .   50622   1
      235   .   1   .   1   61    61    PRO   CA   C   13   62.70572685   0.006832035009    .   1   .   .   .   .   A   57    PRO   CA   .   50622   1
      236   .   1   .   1   62    62    LYS   H    H   1    8.739376295   0.001347378519    .   1   .   .   .   .   A   58    LYS   H    .   50622   1
      237   .   1   .   1   62    62    LYS   CA   C   13   56.66137168   0                 .   1   .   .   .   .   A   58    LYS   CA   .   50622   1
      238   .   1   .   1   62    62    LYS   N    N   15   117.5388655   0.02979457385     .   1   .   .   .   .   A   58    LYS   N    .   50622   1
      239   .   1   .   1   63    63    SER   C    C   13   174.5339424   0                 .   1   .   .   .   .   A   59    SER   C    .   50622   1
      240   .   1   .   1   63    63    SER   CA   C   13   60.97282789   0.02813160449     .   1   .   .   .   .   A   59    SER   CA   .   50622   1
      241   .   1   .   1   64    64    ASP   H    H   1    7.752831888   0.001381587755    .   1   .   .   .   .   A   60    ASP   H    .   50622   1
      242   .   1   .   1   64    64    ASP   C    C   13   177.2773546   0.01392174786     .   1   .   .   .   .   A   60    ASP   C    .   50622   1
      243   .   1   .   1   64    64    ASP   CA   C   13   53.24388495   0.05484604516     .   1   .   .   .   .   A   60    ASP   CA   .   50622   1
      244   .   1   .   1   64    64    ASP   CB   C   13   40.64389811   0                 .   1   .   .   .   .   A   60    ASP   CB   .   50622   1
      245   .   1   .   1   64    64    ASP   N    N   15   118.3525788   0.01516336771     .   1   .   .   .   .   A   60    ASP   N    .   50622   1
      246   .   1   .   1   65    65    GLY   H    H   1    7.985711904   0.0006910665489   .   1   .   .   .   .   A   61    GLY   H    .   50622   1
      247   .   1   .   1   65    65    GLY   C    C   13   175.6013643   0.01460980285     .   1   .   .   .   .   A   61    GLY   C    .   50622   1
      248   .   1   .   1   65    65    GLY   CA   C   13   46.10084661   0.07094619281     .   1   .   .   .   .   A   61    GLY   CA   .   50622   1
      249   .   1   .   1   65    65    GLY   N    N   15   106.6899897   0.009471975312    .   1   .   .   .   .   A   61    GLY   N    .   50622   1
      250   .   1   .   1   66    66    THR   H    H   1    8.003177603   0.00169181754     .   1   .   .   .   .   A   62    THR   H    .   50622   1
      251   .   1   .   1   66    66    THR   C    C   13   174.75143     0.01115617476     .   1   .   .   .   .   A   62    THR   C    .   50622   1
      252   .   1   .   1   66    66    THR   CA   C   13   62.35940245   0.06564851165     .   1   .   .   .   .   A   62    THR   CA   .   50622   1
      253   .   1   .   1   66    66    THR   CB   C   13   70.03103337   0                 .   1   .   .   .   .   A   62    THR   CB   .   50622   1
      254   .   1   .   1   66    66    THR   N    N   15   110.3497554   0.01695493112     .   1   .   .   .   .   A   62    THR   N    .   50622   1
      255   .   1   .   1   67    67    GLY   H    H   1    7.87711244    0.003303969334    .   1   .   .   .   .   A   63    GLY   H    .   50622   1
      256   .   1   .   1   67    67    GLY   C    C   13   172.917       0                 .   1   .   .   .   .   A   63    GLY   C    .   50622   1
      257   .   1   .   1   67    67    GLY   CA   C   13   45.09853637   0.03707029767     .   1   .   .   .   .   A   63    GLY   CA   .   50622   1
      258   .   1   .   1   67    67    GLY   N    N   15   108.2649326   0.04500793498     .   1   .   .   .   .   A   63    GLY   N    .   50622   1
      259   .   1   .   1   68    68    THR   H    H   1    8.493002468   0.006096434899    .   1   .   .   .   .   A   64    THR   H    .   50622   1
      260   .   1   .   1   68    68    THR   C    C   13   172.8311756   0.01080609694     .   1   .   .   .   .   A   64    THR   C    .   50622   1
      261   .   1   .   1   68    68    THR   CA   C   13   61.52694549   0.05599821958     .   1   .   .   .   .   A   64    THR   CA   .   50622   1
      262   .   1   .   1   68    68    THR   CB   C   13   72.02610992   0                 .   1   .   .   .   .   A   64    THR   CB   .   50622   1
      263   .   1   .   1   68    68    THR   N    N   15   115.4639296   0.05402365714     .   1   .   .   .   .   A   64    THR   N    .   50622   1
      264   .   1   .   1   69    69    ILE   H    H   1    8.872211365   0.002976509723    .   1   .   .   .   .   A   65    ILE   H    .   50622   1
      265   .   1   .   1   69    69    ILE   C    C   13   173.9291269   0.01365053132     .   1   .   .   .   .   A   65    ILE   C    .   50622   1
      266   .   1   .   1   69    69    ILE   CA   C   13   59.82733669   0.08618566126     .   1   .   .   .   .   A   65    ILE   CA   .   50622   1
      267   .   1   .   1   69    69    ILE   CB   C   13   41.13357369   0                 .   1   .   .   .   .   A   65    ILE   CB   .   50622   1
      268   .   1   .   1   69    69    ILE   N    N   15   122.982659    0.02466381089     .   1   .   .   .   .   A   65    ILE   N    .   50622   1
      269   .   1   .   1   70    70    TYR   H    H   1    8.478307455   0.003951443816    .   1   .   .   .   .   A   66    TYR   H    .   50622   1
      270   .   1   .   1   70    70    TYR   C    C   13   176.6832683   0                 .   1   .   .   .   .   A   66    TYR   C    .   50622   1
      271   .   1   .   1   70    70    TYR   CA   C   13   57.05484769   0.05755000376     .   1   .   .   .   .   A   66    TYR   CA   .   50622   1
      272   .   1   .   1   70    70    TYR   CB   C   13   41.51013592   0                 .   1   .   .   .   .   A   66    TYR   CB   .   50622   1
      273   .   1   .   1   70    70    TYR   N    N   15   121.5473196   0.0757233957      .   1   .   .   .   .   A   66    TYR   N    .   50622   1
      274   .   1   .   1   71    71    THR   H    H   1    9.452074796   0.001153301508    .   1   .   .   .   .   A   67    THR   H    .   50622   1
      275   .   1   .   1   71    71    THR   C    C   13   172.2546095   0                 .   1   .   .   .   .   A   67    THR   C    .   50622   1
      276   .   1   .   1   71    71    THR   CA   C   13   61.01476653   0.05085055545     .   1   .   .   .   .   A   67    THR   CA   .   50622   1
      277   .   1   .   1   71    71    THR   N    N   15   118.020972    0.0139421187      .   1   .   .   .   .   A   67    THR   N    .   50622   1
      278   .   1   .   1   72    72    GLU   H    H   1    8.886527409   0.0008950098895   .   1   .   .   .   .   A   68    GLU   H    .   50622   1
      279   .   1   .   1   72    72    GLU   C    C   13   175.1505192   0.01571803526     .   1   .   .   .   .   A   68    GLU   C    .   50622   1
      280   .   1   .   1   72    72    GLU   CA   C   13   56.16593535   0.05264197643     .   1   .   .   .   .   A   68    GLU   CA   .   50622   1
      281   .   1   .   1   72    72    GLU   CB   C   13   30.98436933   0                 .   1   .   .   .   .   A   68    GLU   CB   .   50622   1
      282   .   1   .   1   72    72    GLU   N    N   15   129.716617    0.01421594574     .   1   .   .   .   .   A   68    GLU   N    .   50622   1
      283   .   1   .   1   73    73    LEU   H    H   1    7.322806642   0.002766937061    .   1   .   .   .   .   A   69    LEU   H    .   50622   1
      284   .   1   .   1   73    73    LEU   C    C   13   177.48475     0                 .   1   .   .   .   .   A   69    LEU   C    .   50622   1
      285   .   1   .   1   73    73    LEU   CA   C   13   53.19707295   0.002888923501    .   1   .   .   .   .   A   69    LEU   CA   .   50622   1
      286   .   1   .   1   73    73    LEU   N    N   15   121.8734419   0.06700943251     .   1   .   .   .   .   A   69    LEU   N    .   50622   1
      287   .   1   .   1   74    74    GLU   H    H   1    8.599779594   0.00559294268     .   1   .   .   .   .   A   70    GLU   H    .   50622   1
      288   .   1   .   1   74    74    GLU   C    C   13   173.9227441   0                 .   1   .   .   .   .   A   70    GLU   C    .   50622   1
      289   .   1   .   1   74    74    GLU   CA   C   13   55.61634533   0.08889535571     .   1   .   .   .   .   A   70    GLU   CA   .   50622   1
      290   .   1   .   1   74    74    GLU   N    N   15   120.9326039   0.04894250736     .   1   .   .   .   .   A   70    GLU   N    .   50622   1
      291   .   1   .   1   81    81    THR   C    C   13   172.7303507   0                 .   1   .   .   .   .   A   77    THR   C    .   50622   1
      292   .   1   .   1   81    81    THR   CA   C   13   59.40973936   0.03884517728     .   1   .   .   .   .   A   77    THR   CA   .   50622   1
      293   .   1   .   1   82    82    ASP   H    H   1    8.542044978   0.003705780492    .   1   .   .   .   .   A   78    ASP   H    .   50622   1
      294   .   1   .   1   82    82    ASP   C    C   13   175.6750421   0.002241081886    .   1   .   .   .   .   A   78    ASP   C    .   50622   1
      295   .   1   .   1   82    82    ASP   CA   C   13   54.70859202   0.1708005581      .   1   .   .   .   .   A   78    ASP   CA   .   50622   1
      296   .   1   .   1   82    82    ASP   CB   C   13   42.19123086   0                 .   1   .   .   .   .   A   78    ASP   CB   .   50622   1
      297   .   1   .   1   82    82    ASP   N    N   15   124.279895    0.03238840678     .   1   .   .   .   .   A   78    ASP   N    .   50622   1
      298   .   1   .   1   83    83    THR   H    H   1    7.5514134     0.002528526284    .   1   .   .   .   .   A   79    THR   H    .   50622   1
      299   .   1   .   1   83    83    THR   C    C   13   174.5784002   0                 .   1   .   .   .   .   A   79    THR   C    .   50622   1
      300   .   1   .   1   83    83    THR   CA   C   13   59.99489488   0.006443034339    .   1   .   .   .   .   A   79    THR   CA   .   50622   1
      301   .   1   .   1   83    83    THR   CB   C   13   70.5388685    0                 .   1   .   .   .   .   A   79    THR   CB   .   50622   1
      302   .   1   .   1   83    83    THR   N    N   15   114.4954205   0.03031450605     .   1   .   .   .   .   A   79    THR   N    .   50622   1
      303   .   1   .   1   84    84    PRO   C    C   13   177.2227195   0.003595912697    .   1   .   .   .   .   A   80    PRO   C    .   50622   1
      304   .   1   .   1   84    84    PRO   CA   C   13   64.9247894    0.01913281671     .   1   .   .   .   .   A   80    PRO   CA   .   50622   1
      305   .   1   .   1   85    85    LYS   H    H   1    7.651534776   0.002541133052    .   1   .   .   .   .   A   81    LYS   H    .   50622   1
      306   .   1   .   1   85    85    LYS   C    C   13   175.7438898   0.0004239337107   .   1   .   .   .   .   A   81    LYS   C    .   50622   1
      307   .   1   .   1   85    85    LYS   CA   C   13   54.84789946   0.07621545248     .   1   .   .   .   .   A   81    LYS   CA   .   50622   1
      308   .   1   .   1   85    85    LYS   CB   C   13   32.54996252   0                 .   1   .   .   .   .   A   81    LYS   CB   .   50622   1
      309   .   1   .   1   85    85    LYS   N    N   15   114.224643    0.02622078867     .   1   .   .   .   .   A   81    LYS   N    .   50622   1
      310   .   1   .   1   86    86    GLY   H    H   1    7.736934776   0.003067214815    .   1   .   .   .   .   A   82    GLY   H    .   50622   1
      311   .   1   .   1   86    86    GLY   C    C   13   172.0762142   0                 .   1   .   .   .   .   A   82    GLY   C    .   50622   1
      312   .   1   .   1   86    86    GLY   CA   C   13   43.97205268   0.01136217523     .   1   .   .   .   .   A   82    GLY   CA   .   50622   1
      313   .   1   .   1   86    86    GLY   N    N   15   109.5761232   0.02990072503     .   1   .   .   .   .   A   82    GLY   N    .   50622   1
      314   .   1   .   1   87    87    PRO   C    C   13   177.4089037   0                 .   1   .   .   .   .   A   83    PRO   C    .   50622   1
      315   .   1   .   1   87    87    PRO   CA   C   13   63.20725211   0.001006709965    .   1   .   .   .   .   A   83    PRO   CA   .   50622   1
      316   .   1   .   1   88    88    LYS   H    H   1    8.946988157   0.0007974974955   .   1   .   .   .   .   A   84    LYS   H    .   50622   1
      317   .   1   .   1   88    88    LYS   CA   C   13   54.43537952   0.057973775       .   1   .   .   .   .   A   84    LYS   CA   .   50622   1
      318   .   1   .   1   88    88    LYS   CB   C   13   35.47228288   0                 .   1   .   .   .   .   A   84    LYS   CB   .   50622   1
      319   .   1   .   1   88    88    LYS   N    N   15   123.7635172   0.03802329463     .   1   .   .   .   .   A   84    LYS   N    .   50622   1
      320   .   1   .   1   91    91    TYR   C    C   13   173.5756413   0                 .   1   .   .   .   .   A   87    TYR   C    .   50622   1
      321   .   1   .   1   91    91    TYR   CA   C   13   57.75949784   0                 .   1   .   .   .   .   A   87    TYR   CA   .   50622   1
      322   .   1   .   1   92    92    LEU   H    H   1    8.801071579   0.002055586261    .   1   .   .   .   .   A   88    LEU   H    .   50622   1
      323   .   1   .   1   92    92    LEU   C    C   13   174.932457    0                 .   1   .   .   .   .   A   88    LEU   C    .   50622   1
      324   .   1   .   1   92    92    LEU   CA   C   13   53.06314428   0                 .   1   .   .   .   .   A   88    LEU   CA   .   50622   1
      325   .   1   .   1   92    92    LEU   N    N   15   125.2159794   0.01518225208     .   1   .   .   .   .   A   88    LEU   N    .   50622   1
      326   .   1   .   1   93    93    TYR   H    H   1    9.879183036   0.002213317887    .   1   .   .   .   .   A   89    TYR   H    .   50622   1
      327   .   1   .   1   93    93    TYR   C    C   13   175.8686969   0                 .   1   .   .   .   .   A   89    TYR   C    .   50622   1
      328   .   1   .   1   93    93    TYR   CA   C   13   55.43606785   0                 .   1   .   .   .   .   A   89    TYR   CA   .   50622   1
      329   .   1   .   1   93    93    TYR   N    N   15   127.3746747   0.03402509483     .   1   .   .   .   .   A   89    TYR   N    .   50622   1
      330   .   1   .   1   94    94    PHE   H    H   1    8.892124331   0.002477334298    .   1   .   .   .   .   A   90    PHE   H    .   50622   1
      331   .   1   .   1   94    94    PHE   C    C   13   175.5589561   0                 .   1   .   .   .   .   A   90    PHE   C    .   50622   1
      332   .   1   .   1   94    94    PHE   CA   C   13   58.85955429   0                 .   1   .   .   .   .   A   90    PHE   CA   .   50622   1
      333   .   1   .   1   94    94    PHE   N    N   15   122.9607726   0.0106913705      .   1   .   .   .   .   A   90    PHE   N    .   50622   1
      334   .   1   .   1   95    95    ILE   H    H   1    7.483049904   0.002016766385    .   1   .   .   .   .   A   91    ILE   H    .   50622   1
      335   .   1   .   1   95    95    ILE   C    C   13   175.7441919   0                 .   1   .   .   .   .   A   91    ILE   C    .   50622   1
      336   .   1   .   1   95    95    ILE   CA   C   13   61.29483837   0                 .   1   .   .   .   .   A   91    ILE   CA   .   50622   1
      337   .   1   .   1   95    95    ILE   N    N   15   119.2330913   0.0325138007      .   1   .   .   .   .   A   91    ILE   N    .   50622   1
      338   .   1   .   1   96    96    LYS   H    H   1    8.106601044   0.004927696726    .   1   .   .   .   .   A   92    LYS   H    .   50622   1
      339   .   1   .   1   96    96    LYS   C    C   13   178.127       0                 .   1   .   .   .   .   A   92    LYS   C    .   50622   1
      340   .   1   .   1   96    96    LYS   CA   C   13   58.22400814   0                 .   1   .   .   .   .   A   92    LYS   CA   .   50622   1
      341   .   1   .   1   96    96    LYS   N    N   15   123.3657214   0.02627401736     .   1   .   .   .   .   A   92    LYS   N    .   50622   1
      342   .   1   .   1   97    97    GLY   H    H   1    9.172112351   0.005220318567    .   1   .   .   .   .   A   93    GLY   H    .   50622   1
      343   .   1   .   1   97    97    GLY   C    C   13   174.9449747   0                 .   1   .   .   .   .   A   93    GLY   C    .   50622   1
      344   .   1   .   1   97    97    GLY   CA   C   13   45.11541382   0.02269230604     .   1   .   .   .   .   A   93    GLY   CA   .   50622   1
      345   .   1   .   1   97    97    GLY   N    N   15   114.2091865   0.0103761502      .   1   .   .   .   .   A   93    GLY   N    .   50622   1
      346   .   1   .   1   98    98    LEU   H    H   1    7.71744603    0.002983490472    .   1   .   .   .   .   A   94    LEU   H    .   50622   1
      347   .   1   .   1   98    98    LEU   CA   C   13   56.04614379   0                 .   1   .   .   .   .   A   94    LEU   CA   .   50622   1
      348   .   1   .   1   98    98    LEU   N    N   15   122.4772678   0.02525261917     .   1   .   .   .   .   A   94    LEU   N    .   50622   1
      349   .   1   .   1   107   107   LEU   CA   C   13   58.28369139   0                 .   1   .   .   .   .   A   103   LEU   CA   .   50622   1
      350   .   1   .   1   108   108   GLY   H    H   1    8.395115114   0.005357972449    .   1   .   .   .   .   A   104   GLY   H    .   50622   1
      351   .   1   .   1   108   108   GLY   CA   C   13   45.2048038    0.07418965011     .   1   .   .   .   .   A   104   GLY   CA   .   50622   1
      352   .   1   .   1   108   108   GLY   N    N   15   106.8486869   0.06905496607     .   1   .   .   .   .   A   104   GLY   N    .   50622   1
      353   .   1   .   1   109   109   SER   H    H   1    8.146758323   0.002617005479    .   1   .   .   .   .   A   105   SER   H    .   50622   1
      354   .   1   .   1   109   109   SER   CA   C   13   58.38667087   0                 .   1   .   .   .   .   A   105   SER   CA   .   50622   1
      355   .   1   .   1   109   109   SER   CB   C   13   63.98604816   0                 .   1   .   .   .   .   A   105   SER   CB   .   50622   1
      356   .   1   .   1   109   109   SER   N    N   15   115.3803289   0.03075911933     .   1   .   .   .   .   A   105   SER   N    .   50622   1
      357   .   1   .   1   113   113   THR   H    H   1    7.858128939   0.000722231987    .   1   .   .   .   .   A   109   THR   H    .   50622   1
      358   .   1   .   1   113   113   THR   C    C   13   174.6847863   0                 .   1   .   .   .   .   A   109   THR   C    .   50622   1
      359   .   1   .   1   113   113   THR   CA   C   13   62.76848682   0.01750054882     .   1   .   .   .   .   A   109   THR   CA   .   50622   1
      360   .   1   .   1   113   113   THR   N    N   15   109.9010563   0.005380591785    .   1   .   .   .   .   A   109   THR   N    .   50622   1
      361   .   1   .   1   114   114   VAL   H    H   1    7.930002918   0.006073884165    .   1   .   .   .   .   A   110   VAL   H    .   50622   1
      362   .   1   .   1   114   114   VAL   C    C   13   175.1921872   0                 .   1   .   .   .   .   A   110   VAL   C    .   50622   1
      363   .   1   .   1   114   114   VAL   CA   C   13   62.12579178   0.03075750704     .   1   .   .   .   .   A   110   VAL   CA   .   50622   1
      364   .   1   .   1   114   114   VAL   CB   C   13   32.98069742   0                 .   1   .   .   .   .   A   110   VAL   CB   .   50622   1
      365   .   1   .   1   114   114   VAL   N    N   15   121.2049594   0.01705492739     .   1   .   .   .   .   A   110   VAL   N    .   50622   1
      366   .   1   .   1   115   115   ARG   H    H   1    8.302587966   0.001130776844    .   1   .   .   .   .   A   111   ARG   H    .   50622   1
      367   .   1   .   1   115   115   ARG   C    C   13   175.7244081   0                 .   1   .   .   .   .   A   111   ARG   C    .   50622   1
      368   .   1   .   1   115   115   ARG   CA   C   13   55.62983842   0                 .   1   .   .   .   .   A   111   ARG   CA   .   50622   1
      369   .   1   .   1   115   115   ARG   N    N   15   123.5478839   0.02826665162     .   1   .   .   .   .   A   111   ARG   N    .   50622   1
      370   .   1   .   1   116   116   LEU   H    H   1    8.358339897   0.01230494408     .   1   .   .   .   .   A   112   LEU   H    .   50622   1
      371   .   1   .   1   116   116   LEU   C    C   13   176.4765589   0.005743529045    .   1   .   .   .   .   A   112   LEU   C    .   50622   1
      372   .   1   .   1   116   116   LEU   CA   C   13   55.21246808   0.007080191585    .   1   .   .   .   .   A   112   LEU   CA   .   50622   1
      373   .   1   .   1   116   116   LEU   CB   C   13   42.29997743   0                 .   1   .   .   .   .   A   112   LEU   CB   .   50622   1
      374   .   1   .   1   116   116   LEU   N    N   15   124.8903688   0.1337085072      .   1   .   .   .   .   A   112   LEU   N    .   50622   1
      375   .   1   .   1   117   117   GLN   H    H   1    7.961545469   0.001629619654    .   1   .   .   .   .   A   113   GLN   H    .   50622   1
      376   .   1   .   1   117   117   GLN   C    C   13   180.3306413   0                 .   1   .   .   .   .   A   113   GLN   C    .   50622   1
      377   .   1   .   1   117   117   GLN   CA   C   13   57.37537595   0.06770359905     .   1   .   .   .   .   A   113   GLN   CA   .   50622   1
      378   .   1   .   1   117   117   GLN   CB   C   13   30.79606836   0                 .   1   .   .   .   .   A   113   GLN   CB   .   50622   1
      379   .   1   .   1   117   117   GLN   N    N   15   125.5544608   0.01457004532     .   1   .   .   .   .   A   113   GLN   N    .   50622   1
   stop_
save_