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                     1487
  _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    unknown    1    $sample_one   .   1487    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    46     46     HIS    HB2    H    1    18.5    .   .   1    .   .   .   .   .   .   .   .   1487    1    
    2     .   1    1    46     46     HIS    HB3    H    1    -5.3    .   .   1    .   .   .   .   .   .   .   .   1487    1    
    3     .   1    1    46     46     HIS    HE2    H    1    50.1    .   .   1    .   .   .   .   .   .   .   .   1487    1    
    4     .   1    1    48     48     HIS    HD1    H    1    35.2    .   .   1    .   .   .   .   .   .   .   .   1487    1    
    5     .   1    1    48     48     HIS    HD2    H    1    28.8    .   .   1    .   .   .   .   .   .   .   .   1487    1    
    6     .   1    1    48     48     HIS    HE1    H    1    20      .   .   1    .   .   .   .   .   .   .   .   1487    1    
    7     .   1    1    63     63     HIS    HD2    H    1    66.6    .   .   1    .   .   .   .   .   .   .   .   1487    1    
    8     .   1    1    71     71     HIS    HD2    H    1    50.1    .   .   1    .   .   .   .   .   .   .   .   1487    1    
    9     .   1    1    80     80     HIS    HD2    H    1    49.3    .   .   1    .   .   .   .   .   .   .   .   1487    1    
    10    .   1    1    83     83     ASP    HB2    H    1    37.2    .   .   1    .   .   .   .   .   .   .   .   1487    1    
    11    .   1    1    83     83     ASP    HB3    H    1    37.2    .   .   1    .   .   .   .   .   .   .   .   1487    1    
    12    .   1    1    120    120    HIS    HD1    H    1    57      .   .   1    .   .   .   .   .   .   .   .   1487    1    
    13    .   1    1    120    120    HIS    HD2    H    1    24      .   .   1    .   .   .   .   .   .   .   .   1487    1    
    14    .   1    1    120    120    HIS    HE1    H    1    38.9    .   .   1    .   .   .   .   .   .   .   .   1487    1    
  stop_

save_