Content for NMR-STAR saveframe, "chemical_shift_assignment_data_set_one"

    save_chemical_shift_assignment_data_set_one
  _Assigned_chem_shift_list.Sf_category                  assigned_chemical_shifts
  _Assigned_chem_shift_list.Sf_framecode                 'chemical_shift_assignment_data_set_one'
  _Assigned_chem_shift_list.Entry_ID                     308
  _Assigned_chem_shift_list.ID                           1
  _Assigned_chem_shift_list.Sample_condition_list_ID     1
  _Assigned_chem_shift_list.Sample_condition_list_label  $sample_condition_set_one
  _Assigned_chem_shift_list.Chem_shift_reference_ID      1
  _Assigned_chem_shift_list.Chem_shift_reference_label   $chem_shift_reference_par_set_one
  _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    $sample_one   .   308    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    11    11    TYR    HD1     H    1    6.84    .   .   1    .   .   .   .   .   .   .   .   308    1    
    2     .   1    1    11    11    TYR    HD2     H    1    6.84    .   .   1    .   .   .   .   .   .   .   .   308    1    
    3     .   1    1    11    11    TYR    HE1     H    1    6.59    .   .   1    .   .   .   .   .   .   .   .   308    1    
    4     .   1    1    11    11    TYR    HE2     H    1    6.59    .   .   1    .   .   .   .   .   .   .   .   308    1    
    5     .   1    1    12    12    TYR    HD1     H    1    6.88    .   .   1    .   .   .   .   .   .   .   .   308    1    
    6     .   1    1    12    12    TYR    HD2     H    1    6.88    .   .   1    .   .   .   .   .   .   .   .   308    1    
    7     .   1    1    12    12    TYR    HE1     H    1    6.53    .   .   1    .   .   .   .   .   .   .   .   308    1    
    8     .   1    1    12    12    TYR    HE2     H    1    6.53    .   .   1    .   .   .   .   .   .   .   .   308    1    
    9     .   1    1    20    20    HIS    HD2     H    1    6.59    .   .   1    .   .   .   .   .   .   .   .   308    1    
    10    .   1    1    20    20    HIS    HE1     H    1    8.03    .   .   1    .   .   .   .   .   .   .   .   308    1    
    11    .   1    1    27    27    TRP    HA      H    1    6.14    .   .   1    .   .   .   .   .   .   .   .   308    1    
    12    .   1    1    27    27    TRP    HD1     H    1    6.93    .   .   1    .   .   .   .   .   .   .   .   308    1    
    13    .   1    1    27    27    TRP    HE3     H    1    6.74    .   .   1    .   .   .   .   .   .   .   .   308    1    
    14    .   1    1    27    27    TRP    HZ2     H    1    6.69    .   .   1    .   .   .   .   .   .   .   .   308    1    
    15    .   1    1    27    27    TRP    HZ3     H    1    5.81    .   .   1    .   .   .   .   .   .   .   .   308    1    
    16    .   1    1    27    27    TRP    HH2     H    1    6.43    .   .   1    .   .   .   .   .   .   .   .   308    1    
    17    .   1    1    34    34    VAL    HA      H    1    4.52    .   .   1    .   .   .   .   .   .   .   .   308    1    
    18    .   1    1    34    34    VAL    HB      H    1    1.26    .   .   1    .   .   .   .   .   .   .   .   308    1    
    19    .   1    1    34    34    VAL    HG11    H    1    .27     .   .   2    .   .   .   .   .   .   .   .   308    1    
    20    .   1    1    34    34    VAL    HG12    H    1    .27     .   .   2    .   .   .   .   .   .   .   .   308    1    
    21    .   1    1    34    34    VAL    HG13    H    1    .27     .   .   2    .   .   .   .   .   .   .   .   308    1    
    22    .   1    1    34    34    VAL    HG21    H    1    .67     .   .   2    .   .   .   .   .   .   .   .   308    1    
    23    .   1    1    34    34    VAL    HG22    H    1    .67     .   .   2    .   .   .   .   .   .   .   .   308    1    
    24    .   1    1    34    34    VAL    HG23    H    1    .67     .   .   2    .   .   .   .   .   .   .   .   308    1    
    25    .   1    1    35    35    TYR    HD1     H    1    6.84    .   .   1    .   .   .   .   .   .   .   .   308    1    
    26    .   1    1    35    35    TYR    HD2     H    1    6.84    .   .   1    .   .   .   .   .   .   .   .   308    1    
    27    .   1    1    35    35    TYR    HE1     H    1    6.69    .   .   1    .   .   .   .   .   .   .   .   308    1    
    28    .   1    1    35    35    TYR    HE2     H    1    6.69    .   .   1    .   .   .   .   .   .   .   .   308    1    
    29    .   1    1    40    40    PHE    HZ      H    1    6.8     .   .   1    .   .   .   .   .   .   .   .   308    1    
    30    .   1    1    63    63    PHE    HD1     H    1    7.15    .   .   1    .   .   .   .   .   .   .   .   308    1    
    31    .   1    1    63    63    PHE    HD2     H    1    7.15    .   .   1    .   .   .   .   .   .   .   .   308    1    
    32    .   1    1    63    63    PHE    HE1     H    1    7.24    .   .   1    .   .   .   .   .   .   .   .   308    1    
    33    .   1    1    63    63    PHE    HE2     H    1    7.24    .   .   1    .   .   .   .   .   .   .   .   308    1    
    34    .   1    1    80    80    ILE    HA      H    1    3.81    .   .   1    .   .   .   .   .   .   .   .   308    1    
    35    .   1    1    80    80    ILE    HB      H    1    1.58    .   .   1    .   .   .   .   .   .   .   .   308    1    
    36    .   1    1    80    80    ILE    HG12    H    1    .25     .   .   2    .   .   .   .   .   .   .   .   308    1    
    37    .   1    1    80    80    ILE    HG13    H    1    1.25    .   .   2    .   .   .   .   .   .   .   .   308    1    
    38    .   1    1    80    80    ILE    HG21    H    1    .77     .   .   1    .   .   .   .   .   .   .   .   308    1    
    39    .   1    1    80    80    ILE    HG22    H    1    .77     .   .   1    .   .   .   .   .   .   .   .   308    1    
    40    .   1    1    80    80    ILE    HG23    H    1    .77     .   .   1    .   .   .   .   .   .   .   .   308    1    
    41    .   1    1    80    80    ILE    HD11    H    1    .79     .   .   1    .   .   .   .   .   .   .   .   308    1    
    42    .   1    1    80    80    ILE    HD12    H    1    .79     .   .   1    .   .   .   .   .   .   .   .   308    1    
    43    .   1    1    80    80    ILE    HD13    H    1    .79     .   .   1    .   .   .   .   .   .   .   .   308    1    
    44    .   1    1    81    81    ILE    HA      H    1    4.4     .   .   1    .   .   .   .   .   .   .   .   308    1    
    45    .   1    1    81    81    ILE    HB      H    1    1.62    .   .   1    .   .   .   .   .   .   .   .   308    1    
    46    .   1    1    81    81    ILE    HG12    H    1    .19     .   .   1    .   .   .   .   .   .   .   .   308    1    
    47    .   1    1    81    81    ILE    HG13    H    1    .19     .   .   1    .   .   .   .   .   .   .   .   308    1    
    48    .   1    1    81    81    ILE    HG21    H    1    .53     .   .   1    .   .   .   .   .   .   .   .   308    1    
    49    .   1    1    81    81    ILE    HG22    H    1    .53     .   .   1    .   .   .   .   .   .   .   .   308    1    
    50    .   1    1    81    81    ILE    HG23    H    1    .53     .   .   1    .   .   .   .   .   .   .   .   308    1    
    51    .   1    1    81    81    ILE    HD11    H    1    -.96    .   .   1    .   .   .   .   .   .   .   .   308    1    
    52    .   1    1    81    81    ILE    HD12    H    1    -.96    .   .   1    .   .   .   .   .   .   .   .   308    1    
    53    .   1    1    81    81    ILE    HD13    H    1    -.96    .   .   1    .   .   .   .   .   .   .   .   308    1    
    54    .   1    1    85    85    HIS    HD2     H    1    7       .   .   1    .   .   .   .   .   .   .   .   308    1    
    55    .   1    1    85    85    HIS    HE1     H    1    7.56    .   .   1    .   .   .   .   .   .   .   .   308    1    
  stop_

save_