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                     705
  _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   .   705    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    13    13    PHE    HD1     H    1    6.95    0.01    .   1    .   .   .   .   .   .   .   .   705    1    
    2     .   1    1    13    13    PHE    HD2     H    1    6.95    0.01    .   1    .   .   .   .   .   .   .   .   705    1    
    3     .   1    1    13    13    PHE    HE1     H    1    7.31    0.01    .   1    .   .   .   .   .   .   .   .   705    1    
    4     .   1    1    13    13    PHE    HE2     H    1    7.31    0.01    .   1    .   .   .   .   .   .   .   .   705    1    
    5     .   1    1    13    13    PHE    HZ      H    1    7.31    0.01    .   1    .   .   .   .   .   .   .   .   705    1    
    6     .   1    1    26    26    TYR    HD1     H    1    6.80    0.01    .   1    .   .   .   .   .   .   .   .   705    1    
    7     .   1    1    26    26    TYR    HD2     H    1    6.80    0.01    .   1    .   .   .   .   .   .   .   .   705    1    
    8     .   1    1    26    26    TYR    HE1     H    1    6.37    0.01    .   1    .   .   .   .   .   .   .   .   705    1    
    9     .   1    1    26    26    TYR    HE2     H    1    6.37    0.01    .   1    .   .   .   .   .   .   .   .   705    1    
    10    .   1    1    28    28    LEU    HD11    H    1    0.74    0.01    .   2    .   .   .   .   .   .   .   .   705    1    
    11    .   1    1    28    28    LEU    HD12    H    1    0.74    0.01    .   2    .   .   .   .   .   .   .   .   705    1    
    12    .   1    1    28    28    LEU    HD13    H    1    0.74    0.01    .   2    .   .   .   .   .   .   .   .   705    1    
    13    .   1    1    28    28    LEU    HD21    H    1    0.80    0.01    .   2    .   .   .   .   .   .   .   .   705    1    
    14    .   1    1    28    28    LEU    HD22    H    1    0.80    0.01    .   2    .   .   .   .   .   .   .   .   705    1    
    15    .   1    1    28    28    LEU    HD23    H    1    0.80    0.01    .   2    .   .   .   .   .   .   .   .   705    1    
    16    .   1    1    34    34    TYR    HD1     H    1    7.03    0.01    .   1    .   .   .   .   .   .   .   .   705    1    
    17    .   1    1    34    34    TYR    HD2     H    1    6.75    0.01    .   1    .   .   .   .   .   .   .   .   705    1    
    18    .   1    1    34    34    TYR    HE1     H    1    6.87    0.01    .   1    .   .   .   .   .   .   .   .   705    1    
    19    .   1    1    34    34    TYR    HE2     H    1    6.91    0.01    .   1    .   .   .   .   .   .   .   .   705    1    
    20    .   1    1    41    41    TYR    HD1     H    1    6.89    0.01    .   1    .   .   .   .   .   .   .   .   705    1    
    21    .   1    1    41    41    TYR    HD2     H    1    6.89    0.01    .   1    .   .   .   .   .   .   .   .   705    1    
    22    .   1    1    41    41    TYR    HE1     H    1    6.74    0.01    .   1    .   .   .   .   .   .   .   .   705    1    
    23    .   1    1    41    41    TYR    HE2     H    1    6.74    0.01    .   1    .   .   .   .   .   .   .   .   705    1    
  stop_

save_