Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"

    save_assigned_chem_shift_list_1
   _Assigned_chem_shift_list.Sf_category                   assigned_chemical_shifts
   _Assigned_chem_shift_list.Sf_framecode                  assigned_chem_shift_list_1
   _Assigned_chem_shift_list.Entry_ID                      11515
   _Assigned_chem_shift_list.ID                            1
   _Assigned_chem_shift_list.Sample_condition_list_ID      1
   _Assigned_chem_shift_list.Sample_condition_list_label   $sample_conditions_1
   _Assigned_chem_shift_list.Chem_shift_reference_ID       1
   _Assigned_chem_shift_list.Chem_shift_reference_label    $chemical_shift_reference_1
   _Assigned_chem_shift_list.Chem_shift_1H_err             .
   _Assigned_chem_shift_list.Chem_shift_13C_err            .
   _Assigned_chem_shift_list.Chem_shift_15N_err            .
   _Assigned_chem_shift_list.Chem_shift_31P_err            .
   _Assigned_chem_shift_list.Chem_shift_2H_err             .
   _Assigned_chem_shift_list.Chem_shift_19F_err            .
   _Assigned_chem_shift_list.Error_derivation_method       .
   _Assigned_chem_shift_list.Details                       .
   _Assigned_chem_shift_list.Text_data_format              .
   _Assigned_chem_shift_list.Text_data                     .

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

      1   '3D CBCA(CO)NH'   .   .   .   11515   1
      2   '3D HNCACB'       .   .   .   11515   1
   stop_

   loop_
      _Atom_chem_shift.ID
      _Atom_chem_shift.Assembly_atom_ID
      _Atom_chem_shift.Entity_assembly_ID
      _Atom_chem_shift.Entity_ID
      _Atom_chem_shift.Comp_index_ID
      _Atom_chem_shift.Seq_ID
      _Atom_chem_shift.Comp_ID
      _Atom_chem_shift.Atom_ID
      _Atom_chem_shift.Atom_type
      _Atom_chem_shift.Atom_isotope_number
      _Atom_chem_shift.Val
      _Atom_chem_shift.Val_err
      _Atom_chem_shift.Assign_fig_of_merit
      _Atom_chem_shift.Ambiguity_code
      _Atom_chem_shift.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   1     1     GLU   H   H   1    8.626     .   .   1   .   .   .   .   1     GLU   H   .   11515   1
      2    .   1   1   1     1     GLU   N   N   15   123.521   .   .   1   .   .   .   .   1     GLU   N   .   11515   1
      3    .   1   1   2     2     GLN   H   H   1    8.412     .   .   1   .   .   .   .   2     GLN   H   .   11515   1
      4    .   1   1   2     2     GLN   N   N   15   122.396   .   .   1   .   .   .   .   2     GLN   N   .   11515   1
      5    .   1   1   3     3     LEU   H   H   1    8.195     .   .   1   .   .   .   .   3     LEU   H   .   11515   1
      6    .   1   1   3     3     LEU   N   N   15   123.698   .   .   1   .   .   .   .   3     LEU   N   .   11515   1
      7    .   1   1   4     4     THR   H   H   1    7.999     .   .   1   .   .   .   .   4     THR   H   .   11515   1
      8    .   1   1   4     4     THR   N   N   15   114.366   .   .   1   .   .   .   .   4     THR   N   .   11515   1
      9    .   1   1   15    15    LEU   H   H   1    8.150     .   .   1   .   .   .   .   15    LEU   H   .   11515   1
      10   .   1   1   15    15    LEU   N   N   15   122.813   .   .   1   .   .   .   .   15    LEU   N   .   11515   1
      11   .   1   1   16    16    LYS   H   H   1    8.091     .   .   1   .   .   .   .   16    LYS   H   .   11515   1
      12   .   1   1   16    16    LYS   N   N   15   121.168   .   .   1   .   .   .   .   16    LYS   N   .   11515   1
      13   .   1   1   17    17    ASP   H   H   1    8.201     .   .   1   .   .   .   .   17    ASP   H   .   11515   1
      14   .   1   1   17    17    ASP   N   N   15   119.318   .   .   1   .   .   .   .   17    ASP   N   .   11515   1
      15   .   1   1   18    18    TYR   H   H   1    7.735     .   .   1   .   .   .   .   18    TYR   H   .   11515   1
      16   .   1   1   18    18    TYR   N   N   15   118.598   .   .   1   .   .   .   .   18    TYR   N   .   11515   1
      17   .   1   1   19    19    GLY   H   H   1    8.166     .   .   1   .   .   .   .   19    GLY   H   .   11515   1
      18   .   1   1   19    19    GLY   N   N   15   109.995   .   .   1   .   .   .   .   19    GLY   N   .   11515   1
      19   .   1   1   20    20    GLY   H   H   1    7.824     .   .   1   .   .   .   .   20    GLY   H   .   11515   1
      20   .   1   1   20    20    GLY   N   N   15   107.657   .   .   1   .   .   .   .   20    GLY   N   .   11515   1
      21   .   1   1   21    21    VAL   H   H   1    7.651     .   .   1   .   .   .   .   21    VAL   H   .   11515   1
      22   .   1   1   21    21    VAL   N   N   15   118.016   .   .   1   .   .   .   .   21    VAL   N   .   11515   1
      23   .   1   1   31    31    PHE   H   H   1    8.183     .   .   1   .   .   .   .   31    PHE   H   .   11515   1
      24   .   1   1   31    31    PHE   N   N   15   121.991   .   .   1   .   .   .   .   31    PHE   N   .   11515   1
      25   .   1   1   34    34    SER   H   H   1    8.105     .   .   1   .   .   .   .   34    SER   H   .   11515   1
      26   .   1   1   34    34    SER   N   N   15   117.536   .   .   1   .   .   .   .   34    SER   N   .   11515   1
      27   .   1   1   35    35    GLY   H   H   1    8.047     .   .   1   .   .   .   .   35    GLY   H   .   11515   1
      28   .   1   1   35    35    GLY   N   N   15   109.269   .   .   1   .   .   .   .   35    GLY   N   .   11515   1
      29   .   1   1   36    36    TYR   H   H   1    7.721     .   .   1   .   .   .   .   36    TYR   H   .   11515   1
      30   .   1   1   36    36    TYR   N   N   15   120.928   .   .   1   .   .   .   .   36    TYR   N   .   11515   1
      31   .   1   1   37    37    ASP   H   H   1    8.178     .   .   1   .   .   .   .   37    ASP   H   .   11515   1
      32   .   1   1   37    37    ASP   N   N   15   120.089   .   .   1   .   .   .   .   37    ASP   N   .   11515   1
      33   .   1   1   38    38    THR   H   H   1    7.897     .   .   1   .   .   .   .   38    THR   H   .   11515   1
      34   .   1   1   38    38    THR   N   N   15   113.921   .   .   1   .   .   .   .   38    THR   N   .   11515   1
      35   .   1   1   39    39    GLN   H   H   1    7.843     .   .   1   .   .   .   .   39    GLN   H   .   11515   1
      36   .   1   1   39    39    GLN   N   N   15   122.196   .   .   1   .   .   .   .   39    GLN   N   .   11515   1
      37   .   1   1   40    40    ALA   H   H   1    7.792     .   .   1   .   .   .   .   40    ALA   H   .   11515   1
      38   .   1   1   40    40    ALA   N   N   15   124.372   .   .   1   .   .   .   .   40    ALA   N   .   11515   1
      39   .   1   1   41    41    ILE   H   H   1    7.739     .   .   1   .   .   .   .   41    ILE   H   .   11515   1
      40   .   1   1   41    41    ILE   N   N   15   121.271   .   .   1   .   .   .   .   41    ILE   N   .   11515   1
      41   .   1   1   42    42    VAL   H   H   1    7.916     .   .   1   .   .   .   .   42    VAL   H   .   11515   1
      42   .   1   1   42    42    VAL   N   N   15   123.464   .   .   1   .   .   .   .   42    VAL   N   .   11515   1
      43   .   1   1   43    43    GLN   H   H   1    8.265     .   .   1   .   .   .   .   43    GLN   H   .   11515   1
      44   .   1   1   43    43    GLN   N   N   15   122.333   .   .   1   .   .   .   .   43    GLN   N   .   11515   1
      45   .   1   1   45    45    ASN   H   H   1    8.270     .   .   1   .   .   .   .   45    ASN   H   .   11515   1
      46   .   1   1   45    45    ASN   N   N   15   119.078   .   .   1   .   .   .   .   45    ASN   N   .   11515   1
      47   .   1   1   46    46    ASP   H   H   1    8.276     .   .   1   .   .   .   .   46    ASP   H   .   11515   1
      48   .   1   1   46    46    ASP   N   N   15   118.872   .   .   1   .   .   .   .   46    ASP   N   .   11515   1
      49   .   1   1   47    47    SER   H   H   1    8.116     .   .   1   .   .   .   .   47    SER   H   .   11515   1
      50   .   1   1   47    47    SER   N   N   15   115.583   .   .   1   .   .   .   .   47    SER   N   .   11515   1
      51   .   1   1   48    48    THR   H   H   1    7.965     .   .   1   .   .   .   .   48    THR   H   .   11515   1
      52   .   1   1   48    48    THR   N   N   15   115.000   .   .   1   .   .   .   .   48    THR   N   .   11515   1
      53   .   1   1   50    50    TYR   H   H   1    7.735     .   .   1   .   .   .   .   50    TYR   H   .   11515   1
      54   .   1   1   50    50    TYR   N   N   15   118.598   .   .   1   .   .   .   .   50    TYR   N   .   11515   1
      55   .   1   1   51    51    GLY   H   H   1    8.034     .   .   1   .   .   .   .   51    GLY   H   .   11515   1
      56   .   1   1   51    51    GLY   N   N   15   108.678   .   .   1   .   .   .   .   51    GLY   N   .   11515   1
      57   .   1   1   53    53    PHE   H   H   1    8.029     .   .   1   .   .   .   .   53    PHE   H   .   11515   1
      58   .   1   1   53    53    PHE   N   N   15   119.592   .   .   1   .   .   .   .   53    PHE   N   .   11515   1
      59   .   1   1   54    54    GLN   H   H   1    7.991     .   .   1   .   .   .   .   54    GLN   H   .   11515   1
      60   .   1   1   54    54    GLN   N   N   15   120.209   .   .   1   .   .   .   .   54    GLN   N   .   11515   1
      61   .   1   1   64    64    ASP   H   H   1    8.241     .   .   1   .   .   .   .   64    ASP   H   .   11515   1
      62   .   1   1   64    64    ASP   N   N   15   118.684   .   .   1   .   .   .   .   64    ASP   N   .   11515   1
      63   .   1   1   65    65    GLN   H   H   1    7.850     .   .   1   .   .   .   .   65    GLN   H   .   11515   1
      64   .   1   1   65    65    GLN   N   N   15   119.626   .   .   1   .   .   .   .   65    GLN   N   .   11515   1
      65   .   1   1   68    68    HIS   H   H   1    8.338     .   .   1   .   .   .   .   68    HIS   H   .   11515   1
      66   .   1   1   68    68    HIS   N   N   15   115.826   .   .   1   .   .   .   .   68    HIS   N   .   11515   1
      67   .   1   1   69    69    SER   H   H   1    7.772     .   .   1   .   .   .   .   69    SER   H   .   11515   1
      68   .   1   1   69    69    SER   N   N   15   115.035   .   .   1   .   .   .   .   69    SER   N   .   11515   1
      69   .   1   1   70    70    ARG   H   H   1    8.133     .   .   1   .   .   .   .   70    ARG   H   .   11515   1
      70   .   1   1   70    70    ARG   N   N   15   117.211   .   .   1   .   .   .   .   70    ARG   N   .   11515   1
      71   .   1   1   76    76    SER   H   H   1    8.050     .   .   1   .   .   .   .   76    SER   H   .   11515   1
      72   .   1   1   76    76    SER   N   N   15   117.879   .   .   1   .   .   .   .   76    SER   N   .   11515   1
      73   .   1   1   83    83    ASP   H   H   1    7.920     .   .   1   .   .   .   .   83    ASP   H   .   11515   1
      74   .   1   1   83    83    ASP   N   N   15   117.330   .   .   1   .   .   .   .   83    ASP   N   .   11515   1
      75   .   1   1   84    84    ASP   H   H   1    7.920     .   .   1   .   .   .   .   84    ASP   H   .   11515   1
      76   .   1   1   84    84    ASP   N   N   15   117.330   .   .   1   .   .   .   .   84    ASP   N   .   11515   1
      77   .   1   1   100   100   GLY   H   H   1    8.004     .   .   1   .   .   .   .   100   GLY   H   .   11515   1
      78   .   1   1   100   100   GLY   N   N   15   109.672   .   .   1   .   .   .   .   100   GLY   N   .   11515   1
      79   .   1   1   123   123   LEU   H   H   1    7.892     .   .   1   .   .   .   .   123   LEU   H   .   11515   1
      80   .   1   1   123   123   LEU   N   N   15   124.561   .   .   1   .   .   .   .   123   LEU   N   .   11515   1
   stop_
save_