Content for NMR-STAR saveframe, "shifts_polymorphB"

    save_shifts_polymorphB
   _Assigned_chem_shift_list.Sf_category                   assigned_chemical_shifts
   _Assigned_chem_shift_list.Sf_framecode                  shifts_polymorphB
   _Assigned_chem_shift_list.Entry_ID                      27602
   _Assigned_chem_shift_list.ID                            2
   _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            0.1
   _Assigned_chem_shift_list.Chem_shift_15N_err            0.1
   _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 chemical shifts from Polymorph B recorded on Sample 2.'
   _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

      9    '2D DARR C-C 20 ms'   .   .   .   27602   2
      10   '3D CCC'              .   .   .   27602   2
      11   '3D NCACB'            .   .   .   27602   2
      12   '3D NCACX'            .   .   .   27602   2
      13   '3D NCOCX'            .   .   .   27602   2
      14   '2D NCA'              .   .   .   27602   2
      15   '2D NCO'              .   .   .   27602   2
      16   '3D CANCO'            .   .   .   27602   2
   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   $TOPSPIN   .   .   27602   2
      2   $CcpNmr    .   .   27602   2
   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   18    18    VAL   C     C   13   174.792   0.017   .   1   .   .   .   .   .   18    VAL   C     .   27602   2
      2     .   1   1   18    18    VAL   CA    C   13   61.237    0.000   .   1   .   .   .   .   .   18    VAL   CA    .   27602   2
      3     .   1   1   19    19    THR   C     C   13   173.472   0.063   .   1   .   .   .   .   .   19    THR   C     .   27602   2
      4     .   1   1   19    19    THR   CA    C   13   61.486    0.019   .   1   .   .   .   .   .   19    THR   CA    .   27602   2
      5     .   1   1   19    19    THR   CB    C   13   70.564    0.017   .   1   .   .   .   .   .   19    THR   CB    .   27602   2
      6     .   1   1   19    19    THR   CG2   C   13   21.542    0.022   .   1   .   .   .   .   .   19    THR   CG2   .   27602   2
      7     .   1   1   19    19    THR   N     N   15   126.469   0.011   .   1   .   .   .   .   .   19    THR   N     .   27602   2
      8     .   1   1   20    20    ILE   C     C   13   175.826   0.049   .   1   .   .   .   .   .   20    ILE   C     .   27602   2
      9     .   1   1   20    20    ILE   CA    C   13   57.582    0.040   .   1   .   .   .   .   .   20    ILE   CA    .   27602   2
      10    .   1   1   20    20    ILE   CB    C   13   39.434    0.046   .   1   .   .   .   .   .   20    ILE   CB    .   27602   2
      11    .   1   1   20    20    ILE   CG1   C   13   27.645    0.018   .   1   .   .   .   .   .   20    ILE   CG1   .   27602   2
      12    .   1   1   20    20    ILE   CG2   C   13   17.830    0.011   .   1   .   .   .   .   .   20    ILE   CG2   .   27602   2
      13    .   1   1   20    20    ILE   N     N   15   125.824   0.075   .   1   .   .   .   .   .   20    ILE   N     .   27602   2
      14    .   1   1   21    21    SER   C     C   13   172.833   0.021   .   1   .   .   .   .   .   21    SER   C     .   27602   2
      15    .   1   1   21    21    SER   CA    C   13   56.492    0.020   .   1   .   .   .   .   .   21    SER   CA    .   27602   2
      16    .   1   1   21    21    SER   CB    C   13   65.681    0.089   .   1   .   .   .   .   .   21    SER   CB    .   27602   2
      17    .   1   1   21    21    SER   N     N   15   118.269   0.020   .   1   .   .   .   .   .   21    SER   N     .   27602   2
      18    .   1   1   22    22    CYS   C     C   13   174.808   0.031   .   1   .   .   .   .   .   22    CYS   C     .   27602   2
      19    .   1   1   22    22    CYS   CA    C   13   54.521    0.023   .   1   .   .   .   .   .   22    CYS   CA    .   27602   2
      20    .   1   1   22    22    CYS   CB    C   13   39.615    0.054   .   1   .   .   .   .   .   22    CYS   CB    .   27602   2
      21    .   1   1   22    22    CYS   N     N   15   120.652   0.015   .   1   .   .   .   .   .   22    CYS   N     .   27602   2
      22    .   1   1   23    23    THR   C     C   13   175.278   0.019   .   1   .   .   .   .   .   23    THR   C     .   27602   2
      23    .   1   1   23    23    THR   CA    C   13   62.592    0.021   .   1   .   .   .   .   .   23    THR   CA    .   27602   2
      24    .   1   1   23    23    THR   CB    C   13   71.290    0.064   .   1   .   .   .   .   .   23    THR   CB    .   27602   2
      25    .   1   1   23    23    THR   CG2   C   13   22.435    0.014   .   1   .   .   .   .   .   23    THR   CG2   .   27602   2
      26    .   1   1   23    23    THR   N     N   15   121.708   0.044   .   1   .   .   .   .   .   23    THR   N     .   27602   2
      27    .   1   1   24    24    GLY   C     C   13   174.798   0.018   .   1   .   .   .   .   .   24    GLY   C     .   27602   2
      28    .   1   1   24    24    GLY   CA    C   13   47.368    0.024   .   1   .   .   .   .   .   24    GLY   CA    .   27602   2
      29    .   1   1   24    24    GLY   N     N   15   107.136   0.015   .   1   .   .   .   .   .   24    GLY   N     .   27602   2
      30    .   1   1   25    25    SER   C     C   13   172.904   0.019   .   1   .   .   .   .   .   25    SER   C     .   27602   2
      31    .   1   1   25    25    SER   CA    C   13   58.853    0.016   .   1   .   .   .   .   .   25    SER   CA    .   27602   2
      32    .   1   1   25    25    SER   CB    C   13   64.937    0.035   .   1   .   .   .   .   .   25    SER   CB    .   27602   2
      33    .   1   1   25    25    SER   N     N   15   117.546   0.048   .   1   .   .   .   .   .   25    SER   N     .   27602   2
      34    .   1   1   26    26    SER   C     C   13   173.573   0.036   .   1   .   .   .   .   .   26    SER   C     .   27602   2
      35    .   1   1   26    26    SER   CA    C   13   56.692    0.037   .   1   .   .   .   .   .   26    SER   CA    .   27602   2
      36    .   1   1   26    26    SER   CB    C   13   66.339    0.041   .   1   .   .   .   .   .   26    SER   CB    .   27602   2
      37    .   1   1   26    26    SER   N     N   15   114.952   0.014   .   1   .   .   .   .   .   26    SER   N     .   27602   2
      38    .   1   1   27    27    GLY   C     C   13   172.104   0.029   .   1   .   .   .   .   .   27    GLY   C     .   27602   2
      39    .   1   1   27    27    GLY   CA    C   13   45.200    0.049   .   1   .   .   .   .   .   27    GLY   CA    .   27602   2
      40    .   1   1   27    27    GLY   N     N   15   106.748   0.050   .   1   .   .   .   .   .   27    GLY   N     .   27602   2
      41    .   1   1   28    28    SER   C     C   13   174.055   0.017   .   1   .   .   .   .   .   28    SER   C     .   27602   2
      42    .   1   1   28    28    SER   CA    C   13   56.057    0.022   .   1   .   .   .   .   .   28    SER   CA    .   27602   2
      43    .   1   1   28    28    SER   CB    C   13   65.169    0.019   .   1   .   .   .   .   .   28    SER   CB    .   27602   2
      44    .   1   1   28    28    SER   N     N   15   117.136   0.004   .   1   .   .   .   .   .   28    SER   N     .   27602   2
      45    .   1   1   29    29    ILE   C     C   13   173.658   0.048   .   1   .   .   .   .   .   29    ILE   C     .   27602   2
      46    .   1   1   29    29    ILE   CA    C   13   61.472    0.059   .   1   .   .   .   .   .   29    ILE   CA    .   27602   2
      47    .   1   1   29    29    ILE   CB    C   13   40.723    0.043   .   1   .   .   .   .   .   29    ILE   CB    .   27602   2
      48    .   1   1   29    29    ILE   CD1   C   13   17.594    0.051   .   1   .   .   .   .   .   29    ILE   CD1   .   27602   2
      49    .   1   1   29    29    ILE   N     N   15   123.088   0.019   .   1   .   .   .   .   .   29    ILE   N     .   27602   2
      50    .   1   1   30    30    ALA   C     C   13   175.882   0.057   .   1   .   .   .   .   .   30    ALA   C     .   27602   2
      51    .   1   1   30    30    ALA   CA    C   13   50.146    0.075   .   1   .   .   .   .   .   30    ALA   CA    .   27602   2
      52    .   1   1   30    30    ALA   CB    C   13   17.456    0.043   .   1   .   .   .   .   .   30    ALA   CB    .   27602   2
      53    .   1   1   30    30    ALA   N     N   15   140.636   0.106   .   1   .   .   .   .   .   30    ALA   N     .   27602   2
      54    .   1   1   31    31    SER   C     C   13   171.410   0.038   .   1   .   .   .   .   .   31    SER   C     .   27602   2
      55    .   1   1   31    31    SER   CA    C   13   59.406    0.041   .   1   .   .   .   .   .   31    SER   CA    .   27602   2
      56    .   1   1   31    31    SER   CB    C   13   69.047    0.045   .   1   .   .   .   .   .   31    SER   CB    .   27602   2
      57    .   1   1   31    31    SER   N     N   15   115.297   0.087   .   1   .   .   .   .   .   31    SER   N     .   27602   2
      58    .   1   1   32    32    ASN   C     C   13   171.999   0.018   .   1   .   .   .   .   .   32    ASN   C     .   27602   2
      59    .   1   1   32    32    ASN   CA    C   13   53.614    0.041   .   1   .   .   .   .   .   32    ASN   CA    .   27602   2
      60    .   1   1   32    32    ASN   CB    C   13   35.709    0.071   .   1   .   .   .   .   .   32    ASN   CB    .   27602   2
      61    .   1   1   32    32    ASN   CG    C   13   178.410   0.042   .   1   .   .   .   .   .   32    ASN   CG    .   27602   2
      62    .   1   1   32    32    ASN   N     N   15   117.697   0.040   .   1   .   .   .   .   .   32    ASN   N     .   27602   2
      63    .   1   1   32    32    ASN   ND2   N   15   111.795   0.018   .   1   .   .   .   .   .   32    ASN   ND2   .   27602   2
      64    .   1   1   33    33    TYR   C     C   13   174.256   0.023   .   1   .   .   .   .   .   33    TYR   C     .   27602   2
      65    .   1   1   33    33    TYR   CA    C   13   53.217    0.077   .   1   .   .   .   .   .   33    TYR   CA    .   27602   2
      66    .   1   1   33    33    TYR   CB    C   13   40.265    0.051   .   1   .   .   .   .   .   33    TYR   CB    .   27602   2
      67    .   1   1   33    33    TYR   N     N   15   121.882   0.081   .   1   .   .   .   .   .   33    TYR   N     .   27602   2
      68    .   1   1   39    39    GLN   C     C   13   173.807   0.006   .   1   .   .   .   .   .   39    GLN   C     .   27602   2
      69    .   1   1   39    39    GLN   CA    C   13   56.513    0.000   .   1   .   .   .   .   .   39    GLN   CA    .   27602   2
      70    .   1   1   40    40    ARG   C     C   13   174.276   0.023   .   1   .   .   .   .   .   40    ARG   C     .   27602   2
      71    .   1   1   40    40    ARG   CA    C   13   54.082    0.020   .   1   .   .   .   .   .   40    ARG   CA    .   27602   2
      72    .   1   1   40    40    ARG   CB    C   13   36.000    0.003   .   1   .   .   .   .   .   40    ARG   CB    .   27602   2
      73    .   1   1   40    40    ARG   CD    C   13   45.692    0.026   .   1   .   .   .   .   .   40    ARG   CD    .   27602   2
      74    .   1   1   40    40    ARG   N     N   15   125.788   0.030   .   1   .   .   .   .   .   40    ARG   N     .   27602   2
      75    .   1   1   41    41    PRO   C     C   13   172.829   0.010   .   1   .   .   .   .   .   41    PRO   C     .   27602   2
      76    .   1   1   41    41    PRO   CA    C   13   61.595    0.055   .   1   .   .   .   .   .   41    PRO   CA    .   27602   2
      77    .   1   1   41    41    PRO   CB    C   13   31.997    0.008   .   1   .   .   .   .   .   41    PRO   CB    .   27602   2
      78    .   1   1   41    41    PRO   N     N   15   128.107   0.018   .   1   .   .   .   .   .   41    PRO   N     .   27602   2
      79    .   1   1   42    42    GLY   C     C   13   172.796   0.017   .   1   .   .   .   .   .   42    GLY   C     .   27602   2
      80    .   1   1   42    42    GLY   CA    C   13   44.593    0.021   .   1   .   .   .   .   .   42    GLY   CA    .   27602   2
      81    .   1   1   42    42    GLY   N     N   15   117.169   0.032   .   1   .   .   .   .   .   42    GLY   N     .   27602   2
      82    .   1   1   43    43    SER   C     C   13   172.147   0.022   .   1   .   .   .   .   .   43    SER   C     .   27602   2
      83    .   1   1   43    43    SER   CA    C   13   56.893    0.041   .   1   .   .   .   .   .   43    SER   CA    .   27602   2
      84    .   1   1   43    43    SER   CB    C   13   66.168    0.034   .   1   .   .   .   .   .   43    SER   CB    .   27602   2
      85    .   1   1   43    43    SER   N     N   15   116.771   0.053   .   1   .   .   .   .   .   43    SER   N     .   27602   2
      86    .   1   1   44    44    SER   CA    C   13   56.112    0.060   .   1   .   .   .   .   .   44    SER   CA    .   27602   2
      87    .   1   1   44    44    SER   CB    C   13   65.263    0.045   .   1   .   .   .   .   .   44    SER   CB    .   27602   2
      88    .   1   1   44    44    SER   N     N   15   116.880   0.078   .   1   .   .   .   .   .   44    SER   N     .   27602   2
      89    .   1   1   63    63    PHE   C     C   13   175.142   0.013   .   1   .   .   .   .   .   63    PHE   C     .   27602   2
      90    .   1   1   64    64    SER   C     C   13   172.358   0.014   .   1   .   .   .   .   .   64    SER   C     .   27602   2
      91    .   1   1   64    64    SER   CA    C   13   56.750    0.018   .   1   .   .   .   .   .   64    SER   CA    .   27602   2
      92    .   1   1   64    64    SER   CB    C   13   64.372    0.055   .   1   .   .   .   .   .   64    SER   CB    .   27602   2
      93    .   1   1   64    64    SER   N     N   15   126.377   0.012   .   1   .   .   .   .   .   64    SER   N     .   27602   2
      94    .   1   1   65    65    GLY   C     C   13   172.514   0.014   .   1   .   .   .   .   .   65    GLY   C     .   27602   2
      95    .   1   1   65    65    GLY   CA    C   13   44.213    0.017   .   1   .   .   .   .   .   65    GLY   CA    .   27602   2
      96    .   1   1   65    65    GLY   N     N   15   112.798   0.013   .   1   .   .   .   .   .   65    GLY   N     .   27602   2
      97    .   1   1   66    66    SER   C     C   13   172.677   0.020   .   1   .   .   .   .   .   66    SER   C     .   27602   2
      98    .   1   1   66    66    SER   CA    C   13   56.888    0.037   .   1   .   .   .   .   .   66    SER   CA    .   27602   2
      99    .   1   1   66    66    SER   CB    C   13   66.563    0.040   .   1   .   .   .   .   .   66    SER   CB    .   27602   2
      100   .   1   1   66    66    SER   N     N   15   118.136   0.012   .   1   .   .   .   .   .   66    SER   N     .   27602   2
      101   .   1   1   67    67    ILE   C     C   13   175.025   0.032   .   1   .   .   .   .   .   67    ILE   C     .   27602   2
      102   .   1   1   67    67    ILE   CA    C   13   60.796    0.034   .   1   .   .   .   .   .   67    ILE   CA    .   27602   2
      103   .   1   1   67    67    ILE   CB    C   13   42.240    0.070   .   1   .   .   .   .   .   67    ILE   CB    .   27602   2
      104   .   1   1   67    67    ILE   CG1   C   13   28.108    0.052   .   1   .   .   .   .   .   67    ILE   CG1   .   27602   2
      105   .   1   1   67    67    ILE   CG2   C   13   17.564    0.027   .   1   .   .   .   .   .   67    ILE   CG2   .   27602   2
      106   .   1   1   67    67    ILE   CD1   C   13   13.996    0.000   .   1   .   .   .   .   .   67    ILE   CD1   .   27602   2
      107   .   1   1   67    67    ILE   N     N   15   122.683   0.076   .   1   .   .   .   .   .   67    ILE   N     .   27602   2
      108   .   1   1   68    68    ASP   C     C   13   176.151   0.024   .   1   .   .   .   .   .   68    ASP   C     .   27602   2
      109   .   1   1   68    68    ASP   CA    C   13   52.685    0.030   .   1   .   .   .   .   .   68    ASP   CA    .   27602   2
      110   .   1   1   68    68    ASP   CB    C   13   44.714    0.039   .   1   .   .   .   .   .   68    ASP   CB    .   27602   2
      111   .   1   1   68    68    ASP   CG    C   13   179.185   0.022   .   1   .   .   .   .   .   68    ASP   CG    .   27602   2
      112   .   1   1   68    68    ASP   N     N   15   127.862   0.021   .   1   .   .   .   .   .   68    ASP   N     .   27602   2
      113   .   1   1   69    69    SER   C     C   13   173.301   0.025   .   1   .   .   .   .   .   69    SER   C     .   27602   2
      114   .   1   1   69    69    SER   CA    C   13   57.955    0.024   .   1   .   .   .   .   .   69    SER   CA    .   27602   2
      115   .   1   1   69    69    SER   CB    C   13   63.855    0.044   .   1   .   .   .   .   .   69    SER   CB    .   27602   2
      116   .   1   1   69    69    SER   N     N   15   121.492   0.056   .   1   .   .   .   .   .   69    SER   N     .   27602   2
      117   .   1   1   70    70    SER   C     C   13   172.894   0.019   .   1   .   .   .   .   .   70    SER   C     .   27602   2
      118   .   1   1   70    70    SER   CA    C   13   59.517    0.027   .   1   .   .   .   .   .   70    SER   CA    .   27602   2
      119   .   1   1   70    70    SER   CB    C   13   68.040    0.043   .   1   .   .   .   .   .   70    SER   CB    .   27602   2
      120   .   1   1   70    70    SER   N     N   15   126.214   0.047   .   1   .   .   .   .   .   70    SER   N     .   27602   2
      121   .   1   1   71    71    SER   C     C   13   173.834   0.033   .   1   .   .   .   .   .   71    SER   C     .   27602   2
      122   .   1   1   71    71    SER   CA    C   13   59.363    0.032   .   1   .   .   .   .   .   71    SER   CA    .   27602   2
      123   .   1   1   71    71    SER   CB    C   13   61.255    0.053   .   1   .   .   .   .   .   71    SER   CB    .   27602   2
      124   .   1   1   71    71    SER   N     N   15   109.608   0.033   .   1   .   .   .   .   .   71    SER   N     .   27602   2
      125   .   1   1   72    72    ASN   C     C   13   175.289   0.078   .   1   .   .   .   .   .   72    ASN   C     .   27602   2
      126   .   1   1   72    72    ASN   CA    C   13   52.448    0.047   .   1   .   .   .   .   .   72    ASN   CA    .   27602   2
      127   .   1   1   72    72    ASN   CB    C   13   41.170    0.052   .   1   .   .   .   .   .   72    ASN   CB    .   27602   2
      128   .   1   1   72    72    ASN   CG    C   13   176.470   0.028   .   1   .   .   .   .   .   72    ASN   CG    .   27602   2
      129   .   1   1   72    72    ASN   N     N   15   116.951   0.115   .   1   .   .   .   .   .   72    ASN   N     .   27602   2
      130   .   1   1   73    73    SER   C     C   13   172.836   0.028   .   1   .   .   .   .   .   73    SER   C     .   27602   2
      131   .   1   1   73    73    SER   CA    C   13   56.911    0.040   .   1   .   .   .   .   .   73    SER   CA    .   27602   2
      132   .   1   1   73    73    SER   CB    C   13   66.057    0.077   .   1   .   .   .   .   .   73    SER   CB    .   27602   2
      133   .   1   1   73    73    SER   N     N   15   114.089   0.056   .   1   .   .   .   .   .   73    SER   N     .   27602   2
      134   .   1   1   74    74    ALA   C     C   13   176.399   0.026   .   1   .   .   .   .   .   74    ALA   C     .   27602   2
      135   .   1   1   74    74    ALA   CA    C   13   50.430    0.030   .   1   .   .   .   .   .   74    ALA   CA    .   27602   2
      136   .   1   1   74    74    ALA   CB    C   13   23.285    0.045   .   1   .   .   .   .   .   74    ALA   CB    .   27602   2
      137   .   1   1   74    74    ALA   N     N   15   125.716   0.037   .   1   .   .   .   .   .   74    ALA   N     .   27602   2
      138   .   1   1   75    75    SER   C     C   13   172.778   0.027   .   1   .   .   .   .   .   75    SER   C     .   27602   2
      139   .   1   1   75    75    SER   CA    C   13   56.716    0.065   .   1   .   .   .   .   .   75    SER   CA    .   27602   2
      140   .   1   1   75    75    SER   CB    C   13   66.396    0.084   .   1   .   .   .   .   .   75    SER   CB    .   27602   2
      141   .   1   1   75    75    SER   N     N   15   118.988   0.027   .   1   .   .   .   .   .   75    SER   N     .   27602   2
      142   .   1   1   81    81    LEU   C     C   13   175.796   0.059   .   1   .   .   .   .   .   81    LEU   C     .   27602   2
      143   .   1   1   82    82    LYS   C     C   13   175.063   0.032   .   1   .   .   .   .   .   82    LYS   C     .   27602   2
      144   .   1   1   82    82    LYS   CA    C   13   54.898    0.035   .   1   .   .   .   .   .   82    LYS   CA    .   27602   2
      145   .   1   1   82    82    LYS   CB    C   13   37.145    0.062   .   1   .   .   .   .   .   82    LYS   CB    .   27602   2
      146   .   1   1   82    82    LYS   CG    C   13   26.964    0.025   .   1   .   .   .   .   .   82    LYS   CG    .   27602   2
      147   .   1   1   82    82    LYS   CD    C   13   29.617    0.043   .   1   .   .   .   .   .   82    LYS   CD    .   27602   2
      148   .   1   1   82    82    LYS   CE    C   13   44.529    0.020   .   1   .   .   .   .   .   82    LYS   CE    .   27602   2
      149   .   1   1   82    82    LYS   N     N   15   131.408   0.079   .   1   .   .   .   .   .   82    LYS   N     .   27602   2
      150   .   1   1   83    83    THR   C     C   13   173.573   0.039   .   1   .   .   .   .   .   83    THR   C     .   27602   2
      151   .   1   1   83    83    THR   CA    C   13   59.746    0.031   .   1   .   .   .   .   .   83    THR   CA    .   27602   2
      152   .   1   1   83    83    THR   CB    C   13   69.779    0.056   .   1   .   .   .   .   .   83    THR   CB    .   27602   2
      153   .   1   1   83    83    THR   CG2   C   13   20.057    0.019   .   1   .   .   .   .   .   83    THR   CG2   .   27602   2
      154   .   1   1   83    83    THR   N     N   15   119.241   0.018   .   1   .   .   .   .   .   83    THR   N     .   27602   2
      155   .   1   1   84    84    GLU   C     C   13   174.299   0.070   .   1   .   .   .   .   .   84    GLU   C     .   27602   2
      156   .   1   1   84    84    GLU   CA    C   13   55.391    0.034   .   1   .   .   .   .   .   84    GLU   CA    .   27602   2
      157   .   1   1   84    84    GLU   CB    C   13   36.091    0.030   .   1   .   .   .   .   .   84    GLU   CB    .   27602   2
      158   .   1   1   84    84    GLU   CD    C   13   183.330   0.025   .   1   .   .   .   .   .   84    GLU   CD    .   27602   2
      159   .   1   1   84    84    GLU   N     N   15   128.540   0.059   .   1   .   .   .   .   .   84    GLU   N     .   27602   2
      160   .   1   1   85    85    ASP   C     C   13   175.342   0.035   .   1   .   .   .   .   .   85    ASP   C     .   27602   2
      161   .   1   1   85    85    ASP   CA    C   13   52.825    0.033   .   1   .   .   .   .   .   85    ASP   CA    .   27602   2
      162   .   1   1   85    85    ASP   CB    C   13   44.118    0.025   .   1   .   .   .   .   .   85    ASP   CB    .   27602   2
      163   .   1   1   85    85    ASP   N     N   15   129.052   0.121   .   1   .   .   .   .   .   85    ASP   N     .   27602   2
      164   .   1   1   86    86    GLU   C     C   13   173.391   0.023   .   1   .   .   .   .   .   86    GLU   C     .   27602   2
      165   .   1   1   86    86    GLU   CA    C   13   57.153    0.039   .   1   .   .   .   .   .   86    GLU   CA    .   27602   2
      166   .   1   1   86    86    GLU   CB    C   13   26.102    0.085   .   1   .   .   .   .   .   86    GLU   CB    .   27602   2
      167   .   1   1   86    86    GLU   N     N   15   120.292   0.079   .   1   .   .   .   .   .   86    GLU   N     .   27602   2
      168   .   1   1   87    87    ALA   C     C   13   179.552   0.023   .   1   .   .   .   .   .   87    ALA   C     .   27602   2
      169   .   1   1   87    87    ALA   CA    C   13   53.446    0.022   .   1   .   .   .   .   .   87    ALA   CA    .   27602   2
      170   .   1   1   87    87    ALA   CB    C   13   21.098    0.023   .   1   .   .   .   .   .   87    ALA   CB    .   27602   2
      171   .   1   1   87    87    ALA   N     N   15   122.080   0.048   .   1   .   .   .   .   .   87    ALA   N     .   27602   2
      172   .   1   1   88    88    ASP   C     C   13   172.903   0.031   .   1   .   .   .   .   .   88    ASP   C     .   27602   2
      173   .   1   1   88    88    ASP   CA    C   13   53.947    0.031   .   1   .   .   .   .   .   88    ASP   CA    .   27602   2
      174   .   1   1   88    88    ASP   CB    C   13   43.075    0.031   .   1   .   .   .   .   .   88    ASP   CB    .   27602   2
      175   .   1   1   88    88    ASP   CG    C   13   182.857   0.030   .   1   .   .   .   .   .   88    ASP   CG    .   27602   2
      176   .   1   1   88    88    ASP   N     N   15   123.290   0.041   .   1   .   .   .   .   .   88    ASP   N     .   27602   2
      177   .   1   1   89    89    TYR   C     C   13   174.534   0.040   .   1   .   .   .   .   .   89    TYR   C     .   27602   2
      178   .   1   1   89    89    TYR   CA    C   13   51.726    0.032   .   1   .   .   .   .   .   89    TYR   CA    .   27602   2
      179   .   1   1   89    89    TYR   CB    C   13   40.322    0.078   .   1   .   .   .   .   .   89    TYR   CB    .   27602   2
      180   .   1   1   89    89    TYR   CG    C   13   125.270   0.021   .   1   .   .   .   .   .   89    TYR   CG    .   27602   2
      181   .   1   1   89    89    TYR   CD1   C   13   135.855   0.029   .   1   .   .   .   .   .   89    TYR   CD1   .   27602   2
      182   .   1   1   89    89    TYR   CD2   C   13   135.855   0.029   .   1   .   .   .   .   .   89    TYR   CD2   .   27602   2
      183   .   1   1   89    89    TYR   N     N   15   124.055   0.049   .   1   .   .   .   .   .   89    TYR   N     .   27602   2
      184   .   1   1   90    90    TYR   C     C   13   177.064   0.043   .   1   .   .   .   .   .   90    TYR   C     .   27602   2
      185   .   1   1   90    90    TYR   CA    C   13   51.518    0.038   .   1   .   .   .   .   .   90    TYR   CA    .   27602   2
      186   .   1   1   90    90    TYR   CB    C   13   40.641    0.063   .   1   .   .   .   .   .   90    TYR   CB    .   27602   2
      187   .   1   1   90    90    TYR   N     N   15   123.085   0.058   .   1   .   .   .   .   .   90    TYR   N     .   27602   2
      188   .   1   1   91    91    CYS   C     C   13   173.576   0.022   .   1   .   .   .   .   .   91    CYS   C     .   27602   2
      189   .   1   1   91    91    CYS   CA    C   13   58.667    0.037   .   1   .   .   .   .   .   91    CYS   CA    .   27602   2
      190   .   1   1   91    91    CYS   CB    C   13   39.788    0.090   .   1   .   .   .   .   .   91    CYS   CB    .   27602   2
      191   .   1   1   91    91    CYS   N     N   15   120.631   0.051   .   1   .   .   .   .   .   91    CYS   N     .   27602   2
      192   .   1   1   92    92    GLN   C     C   13   173.086   0.018   .   1   .   .   .   .   .   92    GLN   C     .   27602   2
      193   .   1   1   92    92    GLN   CA    C   13   54.843    0.040   .   1   .   .   .   .   .   92    GLN   CA    .   27602   2
      194   .   1   1   92    92    GLN   CB    C   13   32.381    0.031   .   1   .   .   .   .   .   92    GLN   CB    .   27602   2
      195   .   1   1   92    92    GLN   N     N   15   122.541   0.097   .   1   .   .   .   .   .   92    GLN   N     .   27602   2
      196   .   1   1   93    93    SER   C     C   13   171.349   0.046   .   1   .   .   .   .   .   93    SER   C     .   27602   2
      197   .   1   1   93    93    SER   CA    C   13   55.031    0.034   .   1   .   .   .   .   .   93    SER   CA    .   27602   2
      198   .   1   1   93    93    SER   CB    C   13   65.142    0.050   .   1   .   .   .   .   .   93    SER   CB    .   27602   2
      199   .   1   1   93    93    SER   N     N   15   116.217   0.035   .   1   .   .   .   .   .   93    SER   N     .   27602   2
      200   .   1   1   94    94    TYR   C     C   13   174.270   0.021   .   1   .   .   .   .   .   94    TYR   C     .   27602   2
      201   .   1   1   94    94    TYR   CA    C   13   55.623    0.020   .   1   .   .   .   .   .   94    TYR   CA    .   27602   2
      202   .   1   1   94    94    TYR   CB    C   13   38.138    0.044   .   1   .   .   .   .   .   94    TYR   CB    .   27602   2
      203   .   1   1   94    94    TYR   CD1   C   13   132.921   0.014   .   1   .   .   .   .   .   94    TYR   CD1   .   27602   2
      204   .   1   1   94    94    TYR   CD2   C   13   132.921   0.014   .   1   .   .   .   .   .   94    TYR   CD2   .   27602   2
      205   .   1   1   94    94    TYR   CE1   C   13   117.621   0.000   .   1   .   .   .   .   .   94    TYR   CE1   .   27602   2
      206   .   1   1   94    94    TYR   CE2   C   13   117.621   0.000   .   1   .   .   .   .   .   94    TYR   CE2   .   27602   2
      207   .   1   1   94    94    TYR   CZ    C   13   157.128   0.000   .   1   .   .   .   .   .   94    TYR   CZ    .   27602   2
      208   .   1   1   94    94    TYR   N     N   15   133.258   0.120   .   1   .   .   .   .   .   94    TYR   N     .   27602   2
      209   .   1   1   95    95    ASP   C     C   13   174.762   0.027   .   1   .   .   .   .   .   95    ASP   C     .   27602   2
      210   .   1   1   95    95    ASP   CA    C   13   52.411    0.037   .   1   .   .   .   .   .   95    ASP   CA    .   27602   2
      211   .   1   1   95    95    ASP   CB    C   13   41.395    0.013   .   1   .   .   .   .   .   95    ASP   CB    .   27602   2
      212   .   1   1   95    95    ASP   CG    C   13   180.624   0.009   .   1   .   .   .   .   .   95    ASP   CG    .   27602   2
      213   .   1   1   95    95    ASP   N     N   15   126.344   0.029   .   1   .   .   .   .   .   95    ASP   N     .   27602   2
      214   .   1   1   96    96    SER   C     C   13   174.404   0.035   .   1   .   .   .   .   .   96    SER   C     .   27602   2
      215   .   1   1   96    96    SER   CA    C   13   55.810    0.016   .   1   .   .   .   .   .   96    SER   CA    .   27602   2
      216   .   1   1   96    96    SER   CB    C   13   64.508    0.044   .   1   .   .   .   .   .   96    SER   CB    .   27602   2
      217   .   1   1   96    96    SER   N     N   15   121.163   0.055   .   1   .   .   .   .   .   96    SER   N     .   27602   2
      218   .   1   1   97    97    SER   C     C   13   173.644   0.015   .   1   .   .   .   .   .   97    SER   C     .   27602   2
      219   .   1   1   97    97    SER   CA    C   13   58.961    0.035   .   1   .   .   .   .   .   97    SER   CA    .   27602   2
      220   .   1   1   97    97    SER   CB    C   13   65.456    0.053   .   1   .   .   .   .   .   97    SER   CB    .   27602   2
      221   .   1   1   97    97    SER   N     N   15   120.707   0.050   .   1   .   .   .   .   .   97    SER   N     .   27602   2
      222   .   1   1   98    98    ASN   C     C   13   171.618   0.033   .   1   .   .   .   .   .   98    ASN   C     .   27602   2
      223   .   1   1   98    98    ASN   CA    C   13   53.532    0.040   .   1   .   .   .   .   .   98    ASN   CA    .   27602   2
      224   .   1   1   98    98    ASN   CB    C   13   38.853    0.032   .   1   .   .   .   .   .   98    ASN   CB    .   27602   2
      225   .   1   1   98    98    ASN   CG    C   13   176.316   0.015   .   1   .   .   .   .   .   98    ASN   CG    .   27602   2
      226   .   1   1   98    98    ASN   N     N   15   119.609   0.034   .   1   .   .   .   .   .   98    ASN   N     .   27602   2
      227   .   1   1   98    98    ASN   ND2   N   15   114.714   0.003   .   1   .   .   .   .   .   98    ASN   ND2   .   27602   2
      228   .   1   1   99    99    HIS   C     C   13   172.592   0.012   .   1   .   .   .   .   .   99    HIS   C     .   27602   2
      229   .   1   1   99    99    HIS   CA    C   13   56.012    0.031   .   1   .   .   .   .   .   99    HIS   CA    .   27602   2
      230   .   1   1   99    99    HIS   CB    C   13   34.983    0.036   .   1   .   .   .   .   .   99    HIS   CB    .   27602   2
      231   .   1   1   99    99    HIS   CD2   C   13   117.257   0.038   .   1   .   .   .   .   .   99    HIS   CD2   .   27602   2
      232   .   1   1   99    99    HIS   CE1   C   13   137.492   0.007   .   1   .   .   .   .   .   99    HIS   CE1   .   27602   2
      233   .   1   1   99    99    HIS   N     N   15   127.761   0.018   .   1   .   .   .   .   .   99    HIS   N     .   27602   2
      234   .   1   1   100   100   VAL   C     C   13   174.109   0.016   .   1   .   .   .   .   .   100   VAL   C     .   27602   2
      235   .   1   1   100   100   VAL   CA    C   13   59.668    0.032   .   1   .   .   .   .   .   100   VAL   CA    .   27602   2
      236   .   1   1   100   100   VAL   CB    C   13   33.913    0.036   .   1   .   .   .   .   .   100   VAL   CB    .   27602   2
      237   .   1   1   100   100   VAL   CG1   C   13   21.658    0.064   .   2   .   .   .   .   .   100   VAL   CG1   .   27602   2
      238   .   1   1   100   100   VAL   CG2   C   13   22.215    0.022   .   2   .   .   .   .   .   100   VAL   CG2   .   27602   2
      239   .   1   1   100   100   VAL   N     N   15   128.377   0.032   .   1   .   .   .   .   .   100   VAL   N     .   27602   2
      240   .   1   1   101   101   VAL   C     C   13   173.883   0.055   .   1   .   .   .   .   .   101   VAL   C     .   27602   2
      241   .   1   1   101   101   VAL   CA    C   13   59.301    0.050   .   1   .   .   .   .   .   101   VAL   CA    .   27602   2
      242   .   1   1   101   101   VAL   CB    C   13   36.614    0.079   .   1   .   .   .   .   .   101   VAL   CB    .   27602   2
      243   .   1   1   101   101   VAL   CG1   C   13   23.490    0.028   .   2   .   .   .   .   .   101   VAL   CG1   .   27602   2
      244   .   1   1   101   101   VAL   CG2   C   13   23.793    0.031   .   2   .   .   .   .   .   101   VAL   CG2   .   27602   2
      245   .   1   1   101   101   VAL   N     N   15   121.772   0.076   .   1   .   .   .   .   .   101   VAL   N     .   27602   2
      246   .   1   1   102   102   PHE   C     C   13   175.992   0.020   .   1   .   .   .   .   .   102   PHE   C     .   27602   2
      247   .   1   1   102   102   PHE   CA    C   13   55.950    0.021   .   1   .   .   .   .   .   102   PHE   CA    .   27602   2
      248   .   1   1   102   102   PHE   CB    C   13   40.946    0.026   .   1   .   .   .   .   .   102   PHE   CB    .   27602   2
      249   .   1   1   102   102   PHE   N     N   15   125.666   0.026   .   1   .   .   .   .   .   102   PHE   N     .   27602   2
      250   .   1   1   103   103   GLY   C     C   13   174.524   0.039   .   1   .   .   .   .   .   103   GLY   C     .   27602   2
      251   .   1   1   103   103   GLY   CA    C   13   46.328    0.027   .   1   .   .   .   .   .   103   GLY   CA    .   27602   2
      252   .   1   1   103   103   GLY   N     N   15   114.652   0.051   .   1   .   .   .   .   .   103   GLY   N     .   27602   2
      253   .   1   1   104   104   GLY   C     C   13   171.705   0.016   .   1   .   .   .   .   .   104   GLY   C     .   27602   2
      254   .   1   1   104   104   GLY   CA    C   13   46.938    0.038   .   1   .   .   .   .   .   104   GLY   CA    .   27602   2
      255   .   1   1   104   104   GLY   N     N   15   107.030   0.010   .   1   .   .   .   .   .   104   GLY   N     .   27602   2
      256   .   1   1   105   105   GLY   C     C   13   173.211   0.029   .   1   .   .   .   .   .   105   GLY   C     .   27602   2
      257   .   1   1   105   105   GLY   CA    C   13   44.465    0.068   .   1   .   .   .   .   .   105   GLY   CA    .   27602   2
      258   .   1   1   105   105   GLY   N     N   15   112.959   0.013   .   1   .   .   .   .   .   105   GLY   N     .   27602   2
      259   .   1   1   106   106   THR   C     C   13   174.315   0.036   .   1   .   .   .   .   .   106   THR   C     .   27602   2
      260   .   1   1   106   106   THR   CA    C   13   62.456    0.037   .   1   .   .   .   .   .   106   THR   CA    .   27602   2
      261   .   1   1   106   106   THR   CB    C   13   70.901    0.057   .   1   .   .   .   .   .   106   THR   CB    .   27602   2
      262   .   1   1   106   106   THR   CG2   C   13   23.335    0.036   .   1   .   .   .   .   .   106   THR   CG2   .   27602   2
      263   .   1   1   106   106   THR   N     N   15   113.754   0.042   .   1   .   .   .   .   .   106   THR   N     .   27602   2
      264   .   1   1   107   107   LYS   C     C   13   172.510   0.034   .   1   .   .   .   .   .   107   LYS   C     .   27602   2
      265   .   1   1   107   107   LYS   CA    C   13   55.777    0.032   .   1   .   .   .   .   .   107   LYS   CA    .   27602   2
      266   .   1   1   107   107   LYS   CB    C   13   35.419    0.077   .   1   .   .   .   .   .   107   LYS   CB    .   27602   2
      267   .   1   1   107   107   LYS   CG    C   13   25.776    0.021   .   1   .   .   .   .   .   107   LYS   CG    .   27602   2
      268   .   1   1   107   107   LYS   CD    C   13   30.079    0.033   .   1   .   .   .   .   .   107   LYS   CD    .   27602   2
      269   .   1   1   107   107   LYS   CE    C   13   42.311    0.045   .   1   .   .   .   .   .   107   LYS   CE    .   27602   2
      270   .   1   1   107   107   LYS   N     N   15   134.728   0.051   .   1   .   .   .   .   .   107   LYS   N     .   27602   2
      271   .   1   1   108   108   LEU   C     C   13   175.425   0.047   .   1   .   .   .   .   .   108   LEU   C     .   27602   2
      272   .   1   1   108   108   LEU   CA    C   13   54.375    0.021   .   1   .   .   .   .   .   108   LEU   CA    .   27602   2
      273   .   1   1   108   108   LEU   CB    C   13   46.870    0.022   .   1   .   .   .   .   .   108   LEU   CB    .   27602   2
      274   .   1   1   108   108   LEU   CG    C   13   27.296    0.000   .   1   .   .   .   .   .   108   LEU   CG    .   27602   2
      275   .   1   1   108   108   LEU   N     N   15   127.837   0.023   .   1   .   .   .   .   .   108   LEU   N     .   27602   2
      276   .   1   1   109   109   THR   C     C   13   173.063   0.029   .   1   .   .   .   .   .   109   THR   C     .   27602   2
      277   .   1   1   109   109   THR   CA    C   13   62.759    0.031   .   1   .   .   .   .   .   109   THR   CA    .   27602   2
      278   .   1   1   109   109   THR   CB    C   13   70.650    0.058   .   1   .   .   .   .   .   109   THR   CB    .   27602   2
      279   .   1   1   109   109   THR   CG2   C   13   20.085    0.017   .   1   .   .   .   .   .   109   THR   CG2   .   27602   2
      280   .   1   1   109   109   THR   N     N   15   124.693   0.034   .   1   .   .   .   .   .   109   THR   N     .   27602   2
      281   .   1   1   110   110   VAL   C     C   13   174.020   0.022   .   1   .   .   .   .   .   110   VAL   C     .   27602   2
      282   .   1   1   110   110   VAL   CA    C   13   60.196    0.020   .   1   .   .   .   .   .   110   VAL   CA    .   27602   2
      283   .   1   1   110   110   VAL   CB    C   13   35.229    0.021   .   1   .   .   .   .   .   110   VAL   CB    .   27602   2
      284   .   1   1   110   110   VAL   CG1   C   13   21.294    0.014   .   1   .   .   .   .   .   110   VAL   CG1   .   27602   2
      285   .   1   1   110   110   VAL   N     N   15   126.105   0.039   .   1   .   .   .   .   .   110   VAL   N     .   27602   2
   stop_
save_