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                     139
  _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   .   139    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    8     8     GLU    HA      H    1    4.27    .   .   1    .   .   .   .   .   .   .   .   139    1    
    2     .   1    1    8     8     GLU    HB2     H    1    2.07    .   .   1    .   .   .   .   .   .   .   .   139    1    
    3     .   1    1    8     8     GLU    HB3     H    1    2.07    .   .   1    .   .   .   .   .   .   .   .   139    1    
    4     .   1    1    8     8     GLU    HG2     H    1    2.72    .   .   2    .   .   .   .   .   .   .   .   139    1    
    5     .   1    1    8     8     GLU    HG3     H    1    2.42    .   .   2    .   .   .   .   .   .   .   .   139    1    
    6     .   1    1    9     9     LEU    HA      H    1    4.62    .   .   1    .   .   .   .   .   .   .   .   139    1    
    7     .   1    1    9     9     LEU    HB2     H    1    1.81    .   .   2    .   .   .   .   .   .   .   .   139    1    
    8     .   1    1    9     9     LEU    HB3     H    1    1.69    .   .   2    .   .   .   .   .   .   .   .   139    1    
    9     .   1    1    9     9     LEU    HG      H    1    1.52    .   .   1    .   .   .   .   .   .   .   .   139    1    
    10    .   1    1    9     9     LEU    HD11    H    1    .93     .   .   2    .   .   .   .   .   .   .   .   139    1    
    11    .   1    1    9     9     LEU    HD12    H    1    .93     .   .   2    .   .   .   .   .   .   .   .   139    1    
    12    .   1    1    9     9     LEU    HD13    H    1    .93     .   .   2    .   .   .   .   .   .   .   .   139    1    
    13    .   1    1    9     9     LEU    HD21    H    1    .86     .   .   2    .   .   .   .   .   .   .   .   139    1    
    14    .   1    1    9     9     LEU    HD22    H    1    .86     .   .   2    .   .   .   .   .   .   .   .   139    1    
    15    .   1    1    9     9     LEU    HD23    H    1    .86     .   .   2    .   .   .   .   .   .   .   .   139    1    
    16    .   1    1    10    10    CYS    H       H    1    6.92    .   .   1    .   .   .   .   .   .   .   .   139    1    
    17    .   1    1    11    11    CYS    H       H    1    7.69    .   .   1    .   .   .   .   .   .   .   .   139    1    
    18    .   1    1    12    12    ASN    H       H    1    7.13    .   .   1    .   .   .   .   .   .   .   .   139    1    
    19    .   1    1    12    12    ASN    HA      H    1    5.2     .   .   1    .   .   .   .   .   .   .   .   139    1    
    20    .   1    1    12    12    ASN    HB2     H    1    2.8     .   .   2    .   .   .   .   .   .   .   .   139    1    
    21    .   1    1    12    12    ASN    HB3     H    1    2.73    .   .   2    .   .   .   .   .   .   .   .   139    1    
    22    .   1    1    13    13    PRO    HA      H    1    4.3     .   .   1    .   .   .   .   .   .   .   .   139    1    
    23    .   1    1    13    13    PRO    HB2     H    1    2.3     .   .   1    .   .   .   .   .   .   .   .   139    1    
    24    .   1    1    13    13    PRO    HB3     H    1    2.3     .   .   1    .   .   .   .   .   .   .   .   139    1    
    25    .   1    1    13    13    PRO    HG2     H    1    1.95    .   .   1    .   .   .   .   .   .   .   .   139    1    
    26    .   1    1    13    13    PRO    HG3     H    1    1.95    .   .   1    .   .   .   .   .   .   .   .   139    1    
    27    .   1    1    13    13    PRO    HD2     H    1    3.65    .   .   1    .   .   .   .   .   .   .   .   139    1    
    28    .   1    1    13    13    PRO    HD3     H    1    3.65    .   .   1    .   .   .   .   .   .   .   .   139    1    
    29    .   1    1    14    14    ALA    H       H    1    8.47    .   .   1    .   .   .   .   .   .   .   .   139    1    
    30    .   1    1    14    14    ALA    HA      H    1    4.35    .   .   1    .   .   .   .   .   .   .   .   139    1    
    31    .   1    1    14    14    ALA    HB1     H    1    1.4     .   .   1    .   .   .   .   .   .   .   .   139    1    
    32    .   1    1    14    14    ALA    HB2     H    1    1.4     .   .   1    .   .   .   .   .   .   .   .   139    1    
    33    .   1    1    14    14    ALA    HB3     H    1    1.4     .   .   1    .   .   .   .   .   .   .   .   139    1    
    34    .   1    1    15    15    CYS    H       H    1    7.71    .   .   1    .   .   .   .   .   .   .   .   139    1    
    35    .   1    1    15    15    CYS    HA      H    1    4.6     .   .   1    .   .   .   .   .   .   .   .   139    1    
    36    .   1    1    15    15    CYS    HB2     H    1    3.48    .   .   2    .   .   .   .   .   .   .   .   139    1    
    37    .   1    1    15    15    CYS    HB3     H    1    3.2     .   .   2    .   .   .   .   .   .   .   .   139    1    
    38    .   1    1    16    16    THR    H       H    1    8.57    .   .   1    .   .   .   .   .   .   .   .   139    1    
    39    .   1    1    16    16    THR    HA      H    1    4.05    .   .   1    .   .   .   .   .   .   .   .   139    1    
    40    .   1    1    16    16    THR    HB      H    1    4.07    .   .   1    .   .   .   .   .   .   .   .   139    1    
    41    .   1    1    16    16    THR    HG21    H    1    1.27    .   .   1    .   .   .   .   .   .   .   .   139    1    
    42    .   1    1    16    16    THR    HG22    H    1    1.27    .   .   1    .   .   .   .   .   .   .   .   139    1    
    43    .   1    1    16    16    THR    HG23    H    1    1.27    .   .   1    .   .   .   .   .   .   .   .   139    1    
    44    .   1    1    17    17    GLY    H       H    1    8.9     .   .   1    .   .   .   .   .   .   .   .   139    1    
    45    .   1    1    17    17    GLY    HA2     H    1    3.75    .   .   2    .   .   .   .   .   .   .   .   139    1    
    46    .   1    1    17    17    GLY    HA3     H    1    4.1     .   .   2    .   .   .   .   .   .   .   .   139    1    
    47    .   1    1    18    18    CYS    H       H    1    7.51    .   .   1    .   .   .   .   .   .   .   .   139    1    
    48    .   1    1    18    18    CYS    HA      H    1    4.7     .   .   1    .   .   .   .   .   .   .   .   139    1    
    49    .   1    1    18    18    CYS    HB2     H    1    2.9     .   .   1    .   .   .   .   .   .   .   .   139    1    
    50    .   1    1    18    18    CYS    HB3     H    1    2.9     .   .   1    .   .   .   .   .   .   .   .   139    1    
    51    .   1    1    19    19    TYR    H       H    1    7.81    .   .   1    .   .   .   .   .   .   .   .   139    1    
    52    .   1    1    19    19    TYR    HA      H    1    4.5     .   .   1    .   .   .   .   .   .   .   .   139    1    
    53    .   1    1    19    19    TYR    HB2     H    1    3.15    .   .   2    .   .   .   .   .   .   .   .   139    1    
    54    .   1    1    19    19    TYR    HB3     H    1    2.9     .   .   2    .   .   .   .   .   .   .   .   139    1    
    55    .   1    1    19    19    TYR    HD1     H    1    6.85    .   .   1    .   .   .   .   .   .   .   .   139    1    
    56    .   1    1    19    19    TYR    HD2     H    1    6.85    .   .   1    .   .   .   .   .   .   .   .   139    1    
    57    .   1    1    19    19    TYR    HE1     H    1    7.15    .   .   1    .   .   .   .   .   .   .   .   139    1    
    58    .   1    1    19    19    TYR    HE2     H    1    7.15    .   .   1    .   .   .   .   .   .   .   .   139    1    
  stop_

save_