Content for NMR-STAR saveframe, "shift_set_2"

    save_shift_set_2
  _Assigned_chem_shift_list.Sf_category                  assigned_chemical_shifts
  _Assigned_chem_shift_list.Sf_framecode                 shift_set_2
  _Assigned_chem_shift_list.Entry_ID                     5660
  _Assigned_chem_shift_list.ID                           3
  _Assigned_chem_shift_list.Sample_condition_list_ID     1
  _Assigned_chem_shift_list.Sample_condition_list_label  $Ex-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                      
;
Ferricytochrome c in 30% acetonitrile and 70% water solution exists 
as mixture of atleast four NMR-observable conformers. 
For this deposition we described each conformer as a component for a 
single sample (i.e., sample 1). 
So there are four components representing four conformers of ferricyt c.
Proton chemical shifts of component 1 of sample 1. 
Lysine-ligated ferricytochrome c (IVa* form).
;

  _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   .   5660    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    .   2    2    1    1    HEM    HBA1    H    1    2.00     0.02    .   1    .   .   .   .   .   .   .   .   5660    3    
    2    .   2    2    1    1    HEM    HBA2    H    1    0.98     0.02    .   1    .   .   .   .   .   .   .   .   5660    3    
    3    .   2    2    1    1    HEM    HAA1    H    1    0.00     0.02    .   1    .   .   .   .   .   .   .   .   5660    3    
    4    .   2    2    1    1    HEM    HAA2    H    1    -1.02    0.02    .   1    .   .   .   .   .   .   .   .   5660    3    
    5    .   2    2    1    1    HEM    HMB1    H    1    12.93    0.02    .   2    .   .   .   .   .   .   .   .   5660    3    
    6    .   2    2    1    1    HEM    HMC1    H    1    11.45    0.02    .   2    .   .   .   .   .   .   .   .   5660    3    
    7    .   2    2    1    1    HEM    HMD1    H    1    21.11    0.02    .   2    .   .   .   .   .   .   .   .   5660    3    
    8    .   2    2    1    1    HEM    HMA1    H    1    22.87    0.02    .   2    .   .   .   .   .   .   .   .   5660    3    
    9    .   2    2    1    1    HEM    HHB     H    1    -6.06    0.02    .   1    .   .   .   .   .   .   .   .   5660    3    
  stop_

save_