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                     422
  _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   .   422    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     GLU    HA      H    1    3.78    .   .   1    .   .   .   .   .   .   .   .   422    1    
    2     .   1    1    1     1     GLU    HB2     H    1    2.01    .   .   2    .   .   .   .   .   .   .   .   422    1    
    3     .   1    1    1     1     GLU    HB3     H    1    1.96    .   .   2    .   .   .   .   .   .   .   .   422    1    
    4     .   1    1    1     1     GLU    HG2     H    1    2.38    .   .   1    .   .   .   .   .   .   .   .   422    1    
    5     .   1    1    1     1     GLU    HG3     H    1    2.38    .   .   1    .   .   .   .   .   .   .   .   422    1    
    6     .   1    1    2     2     CYS    H       H    1    8.95    .   .   1    .   .   .   .   .   .   .   .   422    1    
    7     .   1    1    2     2     CYS    HA      H    1    4.54    .   .   1    .   .   .   .   .   .   .   .   422    1    
    8     .   1    1    2     2     CYS    HB2     H    1    3.77    .   .   2    .   .   .   .   .   .   .   .   422    1    
    9     .   1    1    2     2     CYS    HB3     H    1    2.52    .   .   2    .   .   .   .   .   .   .   .   422    1    
    10    .   1    1    3     3     CYS    H       H    1    9.28    .   .   1    .   .   .   .   .   .   .   .   422    1    
    11    .   1    1    3     3     CYS    HA      H    1    4.49    .   .   1    .   .   .   .   .   .   .   .   422    1    
    12    .   1    1    3     3     CYS    HB2     H    1    3.19    .   .   2    .   .   .   .   .   .   .   .   422    1    
    13    .   1    1    3     3     CYS    HB3     H    1    2.82    .   .   2    .   .   .   .   .   .   .   .   422    1    
    14    .   1    1    4     4     ASN    H       H    1    7.13    .   .   1    .   .   .   .   .   .   .   .   422    1    
    15    .   1    1    4     4     ASN    HA      H    1    4.94    .   .   1    .   .   .   .   .   .   .   .   422    1    
    16    .   1    1    4     4     ASN    HB2     H    1    2.71    .   .   2    .   .   .   .   .   .   .   .   422    1    
    17    .   1    1    4     4     ASN    HB3     H    1    2.56    .   .   2    .   .   .   .   .   .   .   .   422    1    
    18    .   1    1    4     4     ASN    HD21    H    1    8.11    .   .   2    .   .   .   .   .   .   .   .   422    1    
    19    .   1    1    4     4     ASN    HD22    H    1    7.49    .   .   2    .   .   .   .   .   .   .   .   422    1    
    20    .   1    1    5     5     PRO    HA      H    1    4       .   .   1    .   .   .   .   .   .   .   .   422    1    
    21    .   1    1    5     5     PRO    HB2     H    1    2.23    .   .   2    .   .   .   .   .   .   .   .   422    1    
    22    .   1    1    5     5     PRO    HB3     H    1    1.78    .   .   2    .   .   .   .   .   .   .   .   422    1    
    23    .   1    1    5     5     PRO    HG2     H    1    1.97    .   .   2    .   .   .   .   .   .   .   .   422    1    
    24    .   1    1    5     5     PRO    HG3     H    1    1.88    .   .   2    .   .   .   .   .   .   .   .   422    1    
    25    .   1    1    5     5     PRO    HD2     H    1    3.77    .   .   2    .   .   .   .   .   .   .   .   422    1    
    26    .   1    1    5     5     PRO    HD3     H    1    3.68    .   .   2    .   .   .   .   .   .   .   .   422    1    
    27    .   1    1    6     6     ALA    H       H    1    8.79    .   .   1    .   .   .   .   .   .   .   .   422    1    
    28    .   1    1    6     6     ALA    HA      H    1    4.01    .   .   1    .   .   .   .   .   .   .   .   422    1    
    29    .   1    1    6     6     ALA    HB1     H    1    1.28    .   .   1    .   .   .   .   .   .   .   .   422    1    
    30    .   1    1    6     6     ALA    HB2     H    1    1.28    .   .   1    .   .   .   .   .   .   .   .   422    1    
    31    .   1    1    6     6     ALA    HB3     H    1    1.28    .   .   1    .   .   .   .   .   .   .   .   422    1    
    32    .   1    1    7     7     CYS    H       H    1    8.02    .   .   1    .   .   .   .   .   .   .   .   422    1    
    33    .   1    1    7     7     CYS    HA      H    1    4.05    .   .   1    .   .   .   .   .   .   .   .   422    1    
    34    .   1    1    7     7     CYS    HB2     H    1    3.36    .   .   2    .   .   .   .   .   .   .   .   422    1    
    35    .   1    1    7     7     CYS    HB3     H    1    2.75    .   .   2    .   .   .   .   .   .   .   .   422    1    
    36    .   1    1    8     8     GLY    H       H    1    7.71    .   .   1    .   .   .   .   .   .   .   .   422    1    
    37    .   1    1    8     8     GLY    HA2     H    1    3.92    .   .   2    .   .   .   .   .   .   .   .   422    1    
    38    .   1    1    8     8     GLY    HA3     H    1    3.54    .   .   2    .   .   .   .   .   .   .   .   422    1    
    39    .   1    1    9     9     ARG    HA      H    1    4.07    .   .   1    .   .   .   .   .   .   .   .   422    1    
    40    .   1    1    9     9     ARG    HB2     H    1    1.66    .   .   2    .   .   .   .   .   .   .   .   422    1    
    41    .   1    1    9     9     ARG    HB3     H    1    1.52    .   .   2    .   .   .   .   .   .   .   .   422    1    
    42    .   1    1    9     9     ARG    HG2     H    1    1.46    .   .   2    .   .   .   .   .   .   .   .   422    1    
    43    .   1    1    9     9     ARG    HG3     H    1    1.31    .   .   2    .   .   .   .   .   .   .   .   422    1    
    44    .   1    1    9     9     ARG    HD2     H    1    3.08    .   .   1    .   .   .   .   .   .   .   .   422    1    
    45    .   1    1    9     9     ARG    HD3     H    1    3.08    .   .   1    .   .   .   .   .   .   .   .   422    1    
    46    .   1    1    9     9     ARG    HE      H    1    7.79    .   .   1    .   .   .   .   .   .   .   .   422    1    
    47    .   1    1    10    10    HIS    H       H    1    8.1     .   .   1    .   .   .   .   .   .   .   .   422    1    
    48    .   1    1    10    10    HIS    HA      H    1    4.62    .   .   1    .   .   .   .   .   .   .   .   422    1    
    49    .   1    1    10    10    HIS    HB2     H    1    3.3     .   .   2    .   .   .   .   .   .   .   .   422    1    
    50    .   1    1    10    10    HIS    HB3     H    1    3.03    .   .   2    .   .   .   .   .   .   .   .   422    1    
    51    .   1    1    10    10    HIS    HD1     H    1    7.26    .   .   1    .   .   .   .   .   .   .   .   422    1    
    52    .   1    1    10    10    HIS    HD2     H    1    7.26    .   .   1    .   .   .   .   .   .   .   .   422    1    
    53    .   1    1    10    10    HIS    HE1     H    1    8.95    .   .   1    .   .   .   .   .   .   .   .   422    1    
    54    .   1    1    10    10    HIS    HE2     H    1    8.95    .   .   1    .   .   .   .   .   .   .   .   422    1    
    55    .   1    1    11    11    TYR    HA      H    1    4.25    .   .   1    .   .   .   .   .   .   .   .   422    1    
    56    .   1    1    11    11    TYR    HB2     H    1    2.89    .   .   2    .   .   .   .   .   .   .   .   422    1    
    57    .   1    1    11    11    TYR    HB3     H    1    2.79    .   .   2    .   .   .   .   .   .   .   .   422    1    
    58    .   1    1    11    11    TYR    HD1     H    1    6.96    .   .   1    .   .   .   .   .   .   .   .   422    1    
    59    .   1    1    11    11    TYR    HD2     H    1    6.96    .   .   1    .   .   .   .   .   .   .   .   422    1    
    60    .   1    1    11    11    TYR    HE1     H    1    6.54    .   .   1    .   .   .   .   .   .   .   .   422    1    
    61    .   1    1    11    11    TYR    HE2     H    1    6.54    .   .   1    .   .   .   .   .   .   .   .   422    1    
    62    .   1    1    11    11    TYR    HH      H    1    9.12    .   .   1    .   .   .   .   .   .   .   .   422    1    
    63    .   1    1    12    12    SER    HA      H    1    4.18    .   .   1    .   .   .   .   .   .   .   .   422    1    
    64    .   1    1    12    12    SER    HB2     H    1    3.61    .   .   2    .   .   .   .   .   .   .   .   422    1    
    65    .   1    1    12    12    SER    HB3     H    1    3.5     .   .   2    .   .   .   .   .   .   .   .   422    1    
  stop_

save_