Content for NMR-STAR saveframe, "chemical_shift_set_3"

    save_chemical_shift_set_3
  _Assigned_chem_shift_list.Sf_category                  assigned_chemical_shifts
  _Assigned_chem_shift_list.Sf_framecode                 chemical_shift_set_3
  _Assigned_chem_shift_list.Entry_ID                     5279
  _Assigned_chem_shift_list.ID                           3
  _Assigned_chem_shift_list.Sample_condition_list_ID     1
  _Assigned_chem_shift_list.Sample_condition_list_label  $sample_cond_1
  _Assigned_chem_shift_list.Chem_shift_reference_ID      1
  _Assigned_chem_shift_list.Chem_shift_reference_label   $chemical_shift_reference
  _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_1   .   5279    3    
  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     .   3    2    1    1    HEC    HHC     H    1    -1.402    .   .   .   .   .   .   .   .   .   .   .   5279    3    
    2     .   3    2    1    1    HEC    HAD1    H    1    17.774    .   .   .   .   .   .   .   .   .   .   .   5279    3    
    3     .   3    2    1    1    HEC    HAA1    H    1    4.686     .   .   .   .   .   .   .   .   .   .   .   5279    3    
    4     .   3    2    1    1    HEC    HAA2    H    1    3.105     .   .   .   .   .   .   .   .   .   .   .   5279    3    
    5     .   3    2    1    1    HEC    HHD     H    1    10.259    .   .   .   .   .   .   .   .   .   .   .   5279    3    
    6     .   3    2    1    1    HEC    HBD2    H    1    -1.075    .   .   .   .   .   .   .   .   .   .   .   5279    3    
    7     .   3    2    1    1    HEC    HBA1    H    1    -1.195    .   .   .   .   .   .   .   .   .   .   .   5279    3    
    8     .   3    2    1    1    HEC    HBA2    H    1    -1.318    .   .   .   .   .   .   .   .   .   .   .   5279    3    
    9     .   3    2    1    1    HEC    HAB     H    1    -1.721    .   .   .   .   .   .   .   .   .   .   .   5279    3    
    10    .   3    2    1    1    HEC    HAC     H    1    -0.778    .   .   .   .   .   .   .   .   .   .   .   5279    3    
    11    .   3    2    1    1    HEC    HMB1    H    1    14.63     .   .   .   .   .   .   .   .   .   .   .   5279    3    
    12    .   3    2    1    1    HEC    HMB2    H    1    14.63     .   .   .   .   .   .   .   .   .   .   .   5279    3    
    13    .   3    2    1    1    HEC    HMB3    H    1    14.63     .   .   .   .   .   .   .   .   .   .   .   5279    3    
    14    .   3    2    1    1    HEC    HMC1    H    1    14.375    .   .   .   .   .   .   .   .   .   .   .   5279    3    
    15    .   3    2    1    1    HEC    HMC2    H    1    14.375    .   .   .   .   .   .   .   .   .   .   .   5279    3    
    16    .   3    2    1    1    HEC    HMC3    H    1    14.375    .   .   .   .   .   .   .   .   .   .   .   5279    3    
    17    .   3    2    1    1    HEC    HMD1    H    1    18.124    .   .   .   .   .   .   .   .   .   .   .   5279    3    
    18    .   3    2    1    1    HEC    HMD2    H    1    18.124    .   .   .   .   .   .   .   .   .   .   .   5279    3    
    19    .   3    2    1    1    HEC    HMD3    H    1    18.124    .   .   .   .   .   .   .   .   .   .   .   5279    3    
    20    .   3    2    1    1    HEC    HMA1    H    1    -0.841    .   .   .   .   .   .   .   .   .   .   .   5279    3    
    21    .   3    2    1    1    HEC    HMA2    H    1    -0.841    .   .   .   .   .   .   .   .   .   .   .   5279    3    
    22    .   3    2    1    1    HEC    HMA3    H    1    -0.841    .   .   .   .   .   .   .   .   .   .   .   5279    3    
    23    .   3    2    1    1    HEC    HBB1    H    1    -1.37     .   .   .   .   .   .   .   .   .   .   .   5279    3    
    24    .   3    2    1    1    HEC    HBB2    H    1    -1.37     .   .   .   .   .   .   .   .   .   .   .   5279    3    
    25    .   3    2    1    1    HEC    HBB3    H    1    -1.37     .   .   .   .   .   .   .   .   .   .   .   5279    3    
    26    .   3    2    1    1    HEC    HBC1    H    1    -0.789    .   .   .   .   .   .   .   .   .   .   .   5279    3    
    27    .   3    2    1    1    HEC    HBC2    H    1    -0.789    .   .   .   .   .   .   .   .   .   .   .   5279    3    
    28    .   3    2    1    1    HEC    HBC3    H    1    -0.789    .   .   .   .   .   .   .   .   .   .   .   5279    3    
  stop_

save_