Content for NMR-STAR saveframe, "assigned_chem_shift_list"

    save_assigned_chem_shift_list
  _Assigned_chem_shift_list.Sf_category                  assigned_chemical_shifts
  _Assigned_chem_shift_list.Sf_framecode                 assigned_chem_shift_list
  _Assigned_chem_shift_list.Entry_ID                     18036
  _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                      'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/4a4s/ebi/UCAC.ppm.csh'
  _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    experiment_1    1    $sample_1   solution    18036    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     G    H1'    H    1    5.545    .        .   1    .   1     .   .   1     G    H1'    .   18036    1    
    2     .   1    1    1     1     G    H8     H    1    8.039    .        .   1    .   2     .   .   1     G    H8     .   18036    1    
    3     .   1    1    2     2     G    H1'    H    1    5.181    0.008    .   1    .   3     .   .   2     G    H1'    .   18036    1    
    4     .   1    1    2     2     G    H8     H    1    7.451    .        .   1    .   4     .   .   2     G    H8     .   18036    1    
    5     .   1    1    3     3     A    H1'    H    1    5.946    0.007    .   1    .   5     .   .   3     A    H1'    .   18036    1    
    6     .   1    1    3     3     A    H2'    H    1    4.511    .        .   1    .   6     .   .   3     A    H2'    .   18036    1    
    7     .   1    1    3     3     A    H3'    H    1    4.460    .        .   1    .   7     .   .   3     A    H3'    .   18036    1    
    8     .   1    1    3     3     A    H8     H    1    7.866    0.002    .   1    .   8     .   .   3     A    H8     .   18036    1    
    9     .   1    1    4     4     C    H1'    H    1    5.319    0.006    .   1    .   9     .   .   4     C    H1'    .   18036    1    
    10    .   1    1    4     4     C    H2'    H    1    4.262    0.012    .   1    .   10    .   .   4     C    H2'    .   18036    1    
    11    .   1    1    4     4     C    H3'    H    1    4.311    0.008    .   1    .   11    .   .   4     C    H3'    .   18036    1    
    12    .   1    1    4     4     C    H5     H    1    5.179    0.005    .   1    .   12    .   .   4     C    H5     .   18036    1    
    13    .   1    1    4     4     C    H6     H    1    7.363    0.004    .   1    .   13    .   .   4     C    H6     .   18036    1    
    14    .   1    1    5     5     C    H2'    H    1    3.888    0.003    .   1    .   14    .   .   5     C    H2'    .   18036    1    
    15    .   1    1    5     5     C    H5     H    1    5.415    0.012    .   1    .   15    .   .   5     C    H5     .   18036    1    
    16    .   1    1    5     5     C    H6     H    1    7.722    0.015    .   1    .   16    .   .   5     C    H6     .   18036    1    
    17    .   1    1    6     6     C    H1'    H    1    5.440    .        .   1    .   17    .   .   6     C    H1'    .   18036    1    
    18    .   1    1    6     6     C    H2'    H    1    4.008    0.004    .   1    .   18    .   .   6     C    H2'    .   18036    1    
    19    .   1    1    6     6     C    H5     H    1    5.431    0.004    .   1    .   19    .   .   6     C    H5     .   18036    1    
    20    .   1    1    6     6     C    H6     H    1    7.690    0.014    .   1    .   20    .   .   6     C    H6     .   18036    1    
    21    .   1    1    7     7     G    H1'    H    1    5.652    0.001    .   1    .   21    .   .   7     G    H1'    .   18036    1    
    22    .   1    1    7     7     G    H2'    H    1    4.010    .        .   1    .   22    .   .   7     G    H2'    .   18036    1    
    23    .   1    1    7     7     G    H3'    H    1    4.530    0.004    .   1    .   23    .   .   7     G    H3'    .   18036    1    
    24    .   1    1    7     7     G    H8     H    1    7.438    0.005    .   1    .   24    .   .   7     G    H8     .   18036    1    
    25    .   1    1    8     8     G    H1'    H    1    5.684    0.004    .   1    .   25    .   .   8     G    H1'    .   18036    1    
    26    .   1    1    8     8     G    H2'    H    1    4.355    0.005    .   1    .   26    .   .   8     G    H2'    .   18036    1    
    27    .   1    1    8     8     G    H3'    H    1    4.302    .        .   1    .   27    .   .   8     G    H3'    .   18036    1    
    28    .   1    1    8     8     G    H4'    H    1    4.015    .        .   1    .   28    .   .   8     G    H4'    .   18036    1    
    29    .   1    1    8     8     G    H8     H    1    7.199    0.006    .   1    .   29    .   .   8     G    H8     .   18036    1    
    30    .   1    1    9     9     C    H1'    H    1    5.570    0.843    .   1    .   30    .   .   9     C    H1'    .   18036    1    
    31    .   1    1    9     9     C    H2'    H    1    4.342    0.003    .   1    .   31    .   .   9     C    H2'    .   18036    1    
    32    .   1    1    9     9     C    H3'    H    1    4.472    .        .   1    .   32    .   .   9     C    H3'    .   18036    1    
    33    .   1    1    9     9     C    H5     H    1    5.046    0.009    .   1    .   33    .   .   9     C    H5     .   18036    1    
    34    .   1    1    9     9     C    H6     H    1    7.365    0.003    .   1    .   34    .   .   9     C    H6     .   18036    1    
    35    .   1    1    10    10    U    H1'    H    1    5.515    0.003    .   1    .   35    .   .   10    U    H1'    .   18036    1    
    36    .   1    1    10    10    U    H2'    H    1    4.362    0.013    .   1    .   36    .   .   10    U    H2'    .   18036    1    
    37    .   1    1    10    10    U    H3'    H    1    4.742    0.001    .   1    .   37    .   .   10    U    H3'    .   18036    1    
    38    .   1    1    10    10    U    H5     H    1    5.568    0.034    .   1    .   38    .   .   10    U    H5     .   18036    1    
    39    .   1    1    10    10    U    H6     H    1    7.513    0.008    .   1    .   39    .   .   10    U    H6     .   18036    1    
    40    .   1    1    11    11    C    H1'    H    1    5.472    0.034    .   1    .   40    .   .   11    C    H1'    .   18036    1    
    41    .   1    1    11    11    C    H2'    H    1    4.281    0.013    .   1    .   41    .   .   11    C    H2'    .   18036    1    
    42    .   1    1    11    11    C    H3'    H    1    4.371    .        .   1    .   42    .   .   11    C    H3'    .   18036    1    
    43    .   1    1    11    11    C    H5     H    1    5.506    .        .   1    .   43    .   .   11    C    H5     .   18036    1    
    44    .   1    1    11    11    C    H6     H    1    7.719    0.008    .   1    .   44    .   .   11    C    H6     .   18036    1    
    45    .   1    1    12    12    A    H1'    H    1    5.752    0.009    .   1    .   45    .   .   12    A    H1'    .   18036    1    
    46    .   1    1    12    12    A    H2'    H    1    4.152    0.004    .   1    .   46    .   .   12    A    H2'    .   18036    1    
    47    .   1    1    12    12    A    H3'    H    1    4.241    0.003    .   1    .   47    .   .   12    A    H3'    .   18036    1    
    48    .   1    1    12    12    A    H4'    H    1    4.211    0.007    .   1    .   48    .   .   12    A    H4'    .   18036    1    
    49    .   1    1    12    12    A    H8     H    1    8.153    0.004    .   1    .   49    .   .   12    A    H8     .   18036    1    
    50    .   1    1    13    13    C    H1'    H    1    5.218    .        .   1    .   50    .   .   13    C    H1'    .   18036    1    
    51    .   1    1    13    13    C    H2'    H    1    4.406    0.008    .   1    .   51    .   .   13    C    H2'    .   18036    1    
    52    .   1    1    13    13    C    H3'    H    1    4.450    .        .   1    .   52    .   .   13    C    H3'    .   18036    1    
    53    .   1    1    13    13    C    H5     H    1    5.248    0.005    .   1    .   53    .   .   13    C    H5     .   18036    1    
    54    .   1    1    13    13    C    H6     H    1    7.640    0.003    .   1    .   54    .   .   13    C    H6     .   18036    1    
    55    .   1    1    14    14    G    H1'    H    1    5.006    0.123    .   1    .   55    .   .   14    G    H1'    .   18036    1    
    56    .   1    1    14    14    G    H2'    H    1    4.219    .        .   1    .   56    .   .   14    G    H2'    .   18036    1    
    57    .   1    1    14    14    G    H3'    H    1    4.711    0.006    .   1    .   57    .   .   14    G    H3'    .   18036    1    
    58    .   1    1    14    14    G    H4'    H    1    4.265    .        .   1    .   58    .   .   14    G    H4'    .   18036    1    
    59    .   1    1    14    14    G    H8     H    1    7.817    0.007    .   1    .   59    .   .   14    G    H8     .   18036    1    
    60    .   1    1    15    15    C    H1'    H    1    5.359    0.203    .   1    .   60    .   .   15    C    H1'    .   18036    1    
    61    .   1    1    15    15    C    H2'    H    1    4.260    0.003    .   1    .   61    .   .   15    C    H2'    .   18036    1    
    62    .   1    1    15    15    C    H5     H    1    5.144    0.121    .   1    .   62    .   .   15    C    H5     .   18036    1    
    63    .   1    1    15    15    C    H6     H    1    7.528    0.004    .   1    .   63    .   .   15    C    H6     .   18036    1    
    64    .   1    1    16    16    U    H1'    H    1    5.701    .        .   1    .   64    .   .   16    U    H1'    .   18036    1    
    65    .   1    1    16    16    U    H2'    H    1    4.383    0.003    .   1    .   65    .   .   16    U    H2'    .   18036    1    
    66    .   1    1    16    16    U    H5     H    1    5.645    0.01     .   1    .   66    .   .   16    U    H5     .   18036    1    
    67    .   1    1    16    16    U    H6     H    1    7.718    0.007    .   1    .   67    .   .   16    U    H6     .   18036    1    
    68    .   1    1    17    17    G    H1'    H    1    5.707    0.009    .   1    .   68    .   .   17    G    H1'    .   18036    1    
    69    .   1    1    17    17    G    H2'    H    1    4.417    .        .   1    .   69    .   .   17    G    H2'    .   18036    1    
    70    .   1    1    17    17    G    H3'    H    1    4.409    .        .   1    .   70    .   .   17    G    H3'    .   18036    1    
    71    .   1    1    17    17    G    H8     H    1    7.146    0.012    .   1    .   71    .   .   17    G    H8     .   18036    1    
    72    .   1    1    18    18    G    H1'    H    1    5.681    .        .   1    .   72    .   .   18    G    H1'    .   18036    1    
    73    .   1    1    18    18    G    H8     H    1    7.857    0.004    .   1    .   73    .   .   18    G    H8     .   18036    1    
    74    .   1    1    19    19    G    H1'    H    1    5.718    0.008    .   1    .   74    .   .   19    G    H1'    .   18036    1    
    75    .   1    1    19    19    G    H2'    H    1    4.425    .        .   1    .   75    .   .   19    G    H2'    .   18036    1    
    76    .   1    1    19    19    G    H8     H    1    7.575    0.002    .   1    .   76    .   .   19    G    H8     .   18036    1    
    77    .   1    1    20    20    U    H1'    H    1    5.568    .        .   1    .   77    .   .   20    U    H1'    .   18036    1    
    78    .   1    1    20    20    U    H2'    H    1    4.354    0.015    .   1    .   78    .   .   20    U    H2'    .   18036    1    
    79    .   1    1    20    20    U    H5     H    1    5.027    0.005    .   1    .   79    .   .   20    U    H5     .   18036    1    
    80    .   1    1    20    20    U    H6     H    1    7.714    0.002    .   1    .   80    .   .   20    U    H6     .   18036    1    
    81    .   1    1    21    21    C    H1'    H    1    5.430    .        .   1    .   81    .   .   21    C    H1'    .   18036    1    
    82    .   1    1    21    21    C    H2'    H    1    4.360    0.007    .   1    .   82    .   .   21    C    H2'    .   18036    1    
    83    .   1    1    21    21    C    H5     H    1    5.610    0.004    .   1    .   83    .   .   21    C    H5     .   18036    1    
    84    .   1    1    21    21    C    H6     H    1    7.816    0.005    .   1    .   84    .   .   21    C    H6     .   18036    1    
    85    .   1    1    22    22    C    H1'    H    1    5.663    0.005    .   1    .   85    .   .   22    C    H1'    .   18036    1    
    86    .   1    1    22    22    C    H2'    H    1    3.900    .        .   1    .   86    .   .   22    C    H2'    .   18036    1    
    87    .   1    1    22    22    C    H3'    H    1    4.132    .        .   1    .   87    .   .   22    C    H3'    .   18036    1    
    88    .   1    1    22    22    C    H5     H    1    5.528    .        .   1    .   88    .   .   22    C    H5     .   18036    1    
    89    .   1    1    22    22    C    H6     H    1    7.624    0.007    .   1    .   89    .   .   22    C    H6     .   18036    1    
  stop_

save_