Content for NMR-STAR saveframe, "shift_set_1"

    save_shift_set_1
  _Assigned_chem_shift_list.Sf_category                  assigned_chemical_shifts
  _Assigned_chem_shift_list.Sf_framecode                 shift_set_1
  _Assigned_chem_shift_list.Entry_ID                     6006
  _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                      .
  _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   .   6006    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    1    1    PRO    HA      H    1    4.073    0.003    .   1    .   .   .   .   .   .   .   .   6006    1    
    2     .   1    1    1    1    PRO    HB2     H    1    1.837    0.004    .   1    .   .   .   .   .   .   .   .   6006    1    
    3     .   1    1    1    1    PRO    HB3     H    1    2.286    0.004    .   1    .   .   .   .   .   .   .   .   6006    1    
    4     .   1    1    1    1    PRO    HG2     H    1    1.848    0.001    .   1    .   .   .   .   .   .   .   .   6006    1    
    5     .   1    1    1    1    PRO    HG3     H    1    1.848    0.001    .   1    .   .   .   .   .   .   .   .   6006    1    
    6     .   1    1    1    1    PRO    HD2     H    1    3.129    0.005    .   1    .   .   .   .   .   .   .   .   6006    1    
    7     .   1    1    1    1    PRO    HD3     H    1    3.195    0.002    .   1    .   .   .   .   .   .   .   .   6006    1    
    8     .   1    1    2    2    PHE    H       H    1    8.749    0.002    .   1    .   .   .   .   .   .   .   .   6006    1    
    9     .   1    1    2    2    PHE    HA      H    1    4.641    0.005    .   1    .   .   .   .   .   .   .   .   6006    1    
    10    .   1    1    2    2    PHE    HB2     H    1    2.763    0.006    .   1    .   .   .   .   .   .   .   .   6006    1    
    11    .   1    1    2    2    PHE    HB3     H    1    3.076    0.010    .   1    .   .   .   .   .   .   .   .   6006    1    
    12    .   1    1    2    2    PHE    HD1     H    1    7.297    0.002    .   4    .   .   .   .   .   .   .   .   6006    1    
    13    .   1    1    2    2    PHE    HD2     H    1    7.297    0.002    .   4    .   .   .   .   .   .   .   .   6006    1    
    14    .   1    1    2    2    PHE    HE1     H    1    7.297    0.002    .   4    .   .   .   .   .   .   .   .   6006    1    
    15    .   1    1    2    2    PHE    HE2     H    1    7.297    0.002    .   4    .   .   .   .   .   .   .   .   6006    1    
    16    .   1    1    2    2    PHE    HZ      H    1    7.297    0.002    .   4    .   .   .   .   .   .   .   .   6006    1    
    17    .   1    1    3    3    CYS    H       H    1    8.520    0.002    .   1    .   .   .   .   .   .   .   .   6006    1    
    18    .   1    1    3    3    CYS    HA      H    1    4.813    0.001    .   1    .   .   .   .   .   .   .   .   6006    1    
    19    .   1    1    3    3    CYS    HB2     H    1    2.943    0.005    .   1    .   .   .   .   .   .   .   .   6006    1    
    20    .   1    1    3    3    CYS    HB3     H    1    2.839    0.008    .   1    .   .   .   .   .   .   .   .   6006    1    
    21    .   1    1    4    4    ASN    H       H    1    8.219    0.003    .   1    .   .   .   .   .   .   .   .   6006    1    
    22    .   1    1    4    4    ASN    HA      H    1    4.582    0.007    .   1    .   .   .   .   .   .   .   .   6006    1    
    23    .   1    1    4    4    ASN    HB2     H    1    2.998    0.008    .   1    .   .   .   .   .   .   .   .   6006    1    
    24    .   1    1    4    4    ASN    HB3     H    1    2.684    0.005    .   1    .   .   .   .   .   .   .   .   6006    1    
    25    .   1    1    4    4    ASN    HD21    H    1    7.479    0.001    .   1    .   .   .   .   .   .   .   .   6006    1    
    26    .   1    1    4    4    ASN    HD22    H    1    8.040    0.002    .   1    .   .   .   .   .   .   .   .   6006    1    
    27    .   1    1    5    5    ALA    H       H    1    8.786    0.005    .   1    .   .   .   .   .   .   .   .   6006    1    
    28    .   1    1    5    5    ALA    HA      H    1    3.807    0.001    .   1    .   .   .   .   .   .   .   .   6006    1    
    29    .   1    1    5    5    ALA    HB1     H    1    1.017    0.001    .   1    .   .   .   .   .   .   .   .   6006    1    
    30    .   1    1    5    5    ALA    HB2     H    1    1.017    0.001    .   1    .   .   .   .   .   .   .   .   6006    1    
    31    .   1    1    5    5    ALA    HB3     H    1    1.017    0.001    .   1    .   .   .   .   .   .   .   .   6006    1    
    32    .   1    1    6    6    PHE    H       H    1    8.560    0.009    .   1    .   .   .   .   .   .   .   .   6006    1    
    33    .   1    1    6    6    PHE    HA      H    1    4.401    0.002    .   1    .   .   .   .   .   .   .   .   6006    1    
    34    .   1    1    6    6    PHE    HB2     H    1    3.053    0.003    .   1    .   .   .   .   .   .   .   .   6006    1    
    35    .   1    1    6    6    PHE    HB3     H    1    3.053    0.003    .   1    .   .   .   .   .   .   .   .   6006    1    
    36    .   1    1    6    6    PHE    HD1     H    1    7.258    0.008    .   4    .   .   .   .   .   .   .   .   6006    1    
    37    .   1    1    6    6    PHE    HD2     H    1    7.258    0.008    .   4    .   .   .   .   .   .   .   .   6006    1    
    38    .   1    1    6    6    PHE    HE1     H    1    7.258    0.008    .   4    .   .   .   .   .   .   .   .   6006    1    
    39    .   1    1    6    6    PHE    HE2     H    1    7.258    0.008    .   4    .   .   .   .   .   .   .   .   6006    1    
    40    .   1    1    6    6    PHE    HZ      H    1    7.258    0.008    .   4    .   .   .   .   .   .   .   .   6006    1    
    41    .   1    1    7    7    THR    H       H    1    7.791    0.003    .   1    .   .   .   .   .   .   .   .   6006    1    
    42    .   1    1    7    7    THR    HA      H    1    4.204    0.002    .   1    .   .   .   .   .   .   .   .   6006    1    
    43    .   1    1    7    7    THR    HB      H    1    4.174    0.000    .   1    .   .   .   .   .   .   .   .   6006    1    
    44    .   1    1    7    7    THR    HG21    H    1    1.013    0.003    .   1    .   .   .   .   .   .   .   .   6006    1    
    45    .   1    1    7    7    THR    HG22    H    1    1.013    0.003    .   1    .   .   .   .   .   .   .   .   6006    1    
    46    .   1    1    7    7    THR    HG23    H    1    1.013    0.003    .   1    .   .   .   .   .   .   .   .   6006    1    
    47    .   1    1    8    8    GLY    H       H    1    7.839    0.004    .   1    .   .   .   .   .   .   .   .   6006    1    
    48    .   1    1    8    8    GLY    HA2     H    1    3.501    0.008    .   1    .   .   .   .   .   .   .   .   6006    1    
    49    .   1    1    8    8    GLY    HA3     H    1    4.292    0.003    .   1    .   .   .   .   .   .   .   .   6006    1    
    50    .   1    1    9    9    CYS    H       H    1    8.667    0.006    .   1    .   .   .   .   .   .   .   .   6006    1    
    51    .   1    1    9    9    CYS    HA      H    1    4.756    0.006    .   1    .   .   .   .   .   .   .   .   6006    1    
    52    .   1    1    9    9    CYS    HB2     H    1    2.811    0.003    .   1    .   .   .   .   .   .   .   .   6006    1    
    53    .   1    1    9    9    CYS    HB3     H    1    2.962    0.007    .   1    .   .   .   .   .   .   .   .   6006    1    
  stop_

  loop_
    _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID
    _Ambiguous_atom_chem_shift.Atom_chem_shift_ID
    _Ambiguous_atom_chem_shift.Entry_ID
    _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID

    1    16    6006    1    
    1    15    6006    1    
    1    14    6006    1    
    1    13    6006    1    
    1    12    6006    1    
    2    40    6006    1    
    2    39    6006    1    
    2    38    6006    1    
    2    37    6006    1    
    2    36    6006    1    
  stop_

save_