Content for NMR-STAR saveframe, "shift_set_protein"

    save_shift_set_protein
  _Assigned_chem_shift_list.Sf_category                  assigned_chemical_shifts
  _Assigned_chem_shift_list.Sf_framecode                 shift_set_protein
  _Assigned_chem_shift_list.Entry_ID                     5660
  _Assigned_chem_shift_list.ID                           1
  _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. 
M80-ligated ferricytochrome c (III*-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    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    18    18    HIS    HB2    H    1    9.00     0.02    .   2    .   .   .   .   .   .   .   .   5660    1    
    2    .   1    1    18    18    HIS    HB3    H    1    14.60    0.02    .   2    .   .   .   .   .   .   .   .   5660    1    
    3    .   1    1    18    18    HIS    HD2    H    1    24.50    0.02    .   2    .   .   .   .   .   .   .   .   5660    1    
    4    .   1    1    30    30    PRO    HG2    H    1    -0.90    0.02    .   2    .   .   .   .   .   .   .   .   5660    1    
    5    .   1    1    30    30    PRO    HD2    H    1    -4.43    0.02    .   2    .   .   .   .   .   .   .   .   5660    1    
    6    .   1    1    30    30    PRO    HD3    H    1    -2.32    0.02    .   2    .   .   .   .   .   .   .   .   5660    1    
    7    .   1    1    59    59    TRP    HH2    H    1    7.51     0.02    .   2    .   .   .   .   .   .   .   .   5660    1    
  stop_

save_