Content for NMR-STAR saveframe, "tAIP-III_D2A_assignments"

    save_tAIP-III_D2A_assignments
  _Assigned_chem_shift_list.Sf_category                  assigned_chemical_shifts
  _Assigned_chem_shift_list.Sf_framecode                 tAIP-III_D2A_assignments
  _Assigned_chem_shift_list.Entry_ID                     21042
  _Assigned_chem_shift_list.ID                           1
  _Assigned_chem_shift_list.Sample_condition_list_ID     1
  _Assigned_chem_shift_list.Sample_condition_list_label  $sample_conditions_1
  _Assigned_chem_shift_list.Chem_shift_reference_ID      1
  _Assigned_chem_shift_list.Chem_shift_reference_label   $chemical_shift_reference_1
  _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    '2D 1H-1H TOCSY'  1    $sample_1   isotropic    21042    1    
    2    '2D 1H-1H COSY'   1    $sample_1   isotropic    21042    1    
    3    '2D 1H-1H ROESY'  1    $sample_1   isotropic    21042    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    ACE    H1      H    1    1.869    0.005    .   1    .   .   .   .   c1    A    HA#     .   21042    1    
    2     .   1    1    1    1    ACE    H2      H    1    1.869    0.005    .   1    .   .   .   .   c1    A    HA#     .   21042    1    
    3     .   1    1    1    1    ACE    H3      H    1    1.869    0.005    .   1    .   .   .   .   c1    A    HA#     .   21042    1    
    4     .   1    1    2    2    CYS    H       H    1    8.081    0.004    .   1    .   .   .   .   2     C    HN      .   21042    1    
    5     .   1    1    2    2    CYS    HA      H    1    4.321    0.004    .   1    .   .   .   .   2     C    HA      .   21042    1    
    6     .   1    1    2    2    CYS    HB2     H    1    3.195    0.005    .   1    .   .   .   .   2     C    HB1     .   21042    1    
    7     .   1    1    2    2    CYS    HB3     H    1    2.788    0.004    .   1    .   .   .   .   2     C    HB2     .   21042    1    
    8     .   1    1    3    3    ALA    H       H    1    8.116    0.003    .   1    .   .   .   .   3     A    HN      .   21042    1    
    9     .   1    1    3    3    ALA    HA      H    1    4.110    0.002    .   1    .   .   .   .   3     A    HA      .   21042    1    
    10    .   1    1    3    3    ALA    HB1     H    1    1.137    0.006    .   1    .   .   .   .   3     A    HB#     .   21042    1    
    11    .   1    1    3    3    ALA    HB2     H    1    1.137    0.006    .   1    .   .   .   .   3     A    HB#     .   21042    1    
    12    .   1    1    3    3    ALA    HB3     H    1    1.137    0.006    .   1    .   .   .   .   3     A    HB#     .   21042    1    
    13    .   1    1    4    4    PHE    H       H    1    8.053    0.004    .   1    .   .   .   .   4     F    HN      .   21042    1    
    14    .   1    1    4    4    PHE    HA      H    1    4.334    0.002    .   1    .   .   .   .   4     F    HA      .   21042    1    
    15    .   1    1    4    4    PHE    HB2     H    1    3.121    0.006    .   1    .   .   .   .   4     F    HB1     .   21042    1    
    16    .   1    1    4    4    PHE    HB3     H    1    3.058    0.006    .   1    .   .   .   .   4     F    HB2     .   21042    1    
    17    .   1    1    4    4    PHE    HD1     H    1    7.177    0.005    .   3    .   .   .   .   4     F    HD#     .   21042    1    
    18    .   1    1    4    4    PHE    HD2     H    1    7.177    0.005    .   3    .   .   .   .   4     F    HD#     .   21042    1    
    19    .   1    1    4    4    PHE    HE1     H    1    7.274    0.004    .   3    .   .   .   .   4     F    HE#     .   21042    1    
    20    .   1    1    4    4    PHE    HE2     H    1    7.274    0.004    .   3    .   .   .   .   4     F    HE#     .   21042    1    
    21    .   1    1    5    5    LEU    H       H    1    7.859    0.005    .   1    .   .   .   .   5     L    HN      .   21042    1    
    22    .   1    1    5    5    LEU    HA      H    1    4.130    0.002    .   1    .   .   .   .   5     L    HA      .   21042    1    
    23    .   1    1    5    5    LEU    HB2     H    1    1.670    0.004    .   1    .   .   .   .   5     L    HB1     .   21042    1    
    24    .   1    1    5    5    LEU    HB3     H    1    1.502    0.004    .   1    .   .   .   .   5     L    HB2     .   21042    1    
    25    .   1    1    5    5    LEU    HD11    H    1    0.779    0.007    .   2    .   .   .   .   5     L    HD1#    .   21042    1    
    26    .   1    1    5    5    LEU    HD12    H    1    0.779    0.007    .   2    .   .   .   .   5     L    HD1#    .   21042    1    
    27    .   1    1    5    5    LEU    HD13    H    1    0.779    0.007    .   2    .   .   .   .   5     L    HD1#    .   21042    1    
    28    .   1    1    5    5    LEU    HD21    H    1    0.697    0.004    .   2    .   .   .   .   5     L    HD2#    .   21042    1    
    29    .   1    1    5    5    LEU    HD22    H    1    0.697    0.004    .   2    .   .   .   .   5     L    HD2#    .   21042    1    
    30    .   1    1    5    5    LEU    HD23    H    1    0.697    0.004    .   2    .   .   .   .   5     L    HD2#    .   21042    1    
    31    .   1    1    5    5    LEU    HG      H    1    1.210    0.006    .   1    .   .   .   .   5     L    HG      .   21042    1    
    32    .   1    1    6    6    LEU    H       H    1    8.210    0.004    .   1    .   .   .   .   6     L    HN      .   21042    1    
    33    .   1    1    6    6    LEU    HA      H    1    4.519    0.001    .   1    .   .   .   .   6     L    HA      .   21042    1    
    34    .   1    1    6    6    LEU    HB2     H    1    1.720    0.007    .   1    .   .   .   .   6     L    HB1     .   21042    1    
    35    .   1    1    6    6    LEU    HB3     H    1    1.656    0.011    .   1    .   .   .   .   6     L    HB2     .   21042    1    
    36    .   1    1    6    6    LEU    HD11    H    1    0.879    0.005    .   2    .   .   .   .   6     L    HD1#    .   21042    1    
    37    .   1    1    6    6    LEU    HD12    H    1    0.879    0.005    .   2    .   .   .   .   6     L    HD1#    .   21042    1    
    38    .   1    1    6    6    LEU    HD13    H    1    0.879    0.005    .   2    .   .   .   .   6     L    HD1#    .   21042    1    
    39    .   1    1    6    6    LEU    HD21    H    1    0.777    0.003    .   2    .   .   .   .   6     L    HD2#    .   21042    1    
    40    .   1    1    6    6    LEU    HD22    H    1    0.777    0.003    .   2    .   .   .   .   6     L    HD2#    .   21042    1    
    41    .   1    1    6    6    LEU    HD23    H    1    0.777    0.003    .   2    .   .   .   .   6     L    HD2#    .   21042    1    
    42    .   1    1    6    6    LEU    HG      H    1    1.562    0.013    .   1    .   .   .   .   6     L    HG      .   21042    1    
  stop_

save_