Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"

    save_assigned_chem_shift_list_1
  _Assigned_chem_shift_list.Sf_category                  assigned_chemical_shifts
  _Assigned_chem_shift_list.Sf_framecode                 assigned_chem_shift_list_1
  _Assigned_chem_shift_list.Entry_ID                     19932
  _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 NOESY'  .   .   .   19932    1    
  stop_

  loop_
    _Chem_shift_software.Software_ID
    _Chem_shift_software.Software_label
    _Chem_shift_software.Method_ID
    _Chem_shift_software.Method_label
    _Chem_shift_software.Entry_ID
    _Chem_shift_software.Assigned_chem_shift_list_ID

    1    $SPARKY   .   .   19932    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    2     2     81S    H4     H    1    4.116    0.004    .   1    .   .   .   A    2     81S    H4     .   19932    1    
    2     .   1    1    2     2     81S    H5     H    1    2.131    0.005    .   1    .   .   .   A    2     81S    H5     .   19932    1    
    3     .   1    1    2     2     81S    H6     H    1    1.947    0.003    .   1    .   .   .   A    2     81S    H6     .   19932    1    
    4     .   1    1    2     2     81S    H7     H    1    2.861    0.002    .   1    .   .   .   A    2     81S    H7     .   19932    1    
    5     .   1    1    2     2     81S    H8     H    1    2.980    0.002    .   1    .   .   .   A    2     81S    H8     .   19932    1    
    6     .   1    1    2     2     81S    H9     H    1    2.399    0.001    .   1    .   .   .   A    2     81S    H9     .   19932    1    
    7     .   1    1    3     3     ALA    H      H    1    8.474    0.000    .   1    .   .   .   A    3     ALA    H      .   19932    1    
    8     .   1    1    3     3     ALA    HA     H    1    3.798    0.001    .   1    .   .   .   A    3     ALA    HA     .   19932    1    
    9     .   1    1    3     3     ALA    HB1    H    1    1.125    0.001    .   1    .   .   .   A    3     ALA    HB1    .   19932    1    
    10    .   1    1    3     3     ALA    HB2    H    1    1.125    0.001    .   1    .   .   .   A    3     ALA    HB2    .   19932    1    
    11    .   1    1    3     3     ALA    HB3    H    1    1.125    0.001    .   1    .   .   .   A    3     ALA    HB3    .   19932    1    
    12    .   1    1    4     4     SER    H      H    1    7.502    0.003    .   1    .   .   .   A    4     SER    H      .   19932    1    
    13    .   1    1    4     4     SER    HA     H    1    4.202    0.002    .   1    .   .   .   A    4     SER    HA     .   19932    1    
    14    .   1    1    4     4     SER    HB2    H    1    3.718    0.000    .   1    .   .   .   A    4     SER    HB2    .   19932    1    
    15    .   1    1    4     4     SER    HB3    H    1    3.571    0.008    .   1    .   .   .   A    4     SER    HB3    .   19932    1    
    16    .   1    1    5     5     ASP    H      H    1    7.282    0.001    .   1    .   .   .   A    5     ASP    H      .   19932    1    
    17    .   1    1    5     5     ASP    HA     H    1    4.662    0.000    .   1    .   .   .   A    5     ASP    HA     .   19932    1    
    18    .   1    1    5     5     ASP    HB2    H    1    2.842    0.012    .   1    .   .   .   A    5     ASP    HB2    .   19932    1    
    19    .   1    1    5     5     ASP    HB3    H    1    2.391    0.002    .   1    .   .   .   A    5     ASP    HB3    .   19932    1    
    20    .   1    1    6     6     PRO    HA     H    1    4.122    0.006    .   1    .   .   .   A    6     PRO    HA     .   19932    1    
    21    .   1    1    6     6     PRO    HB2    H    1    2.124    0.003    .   1    .   .   .   A    6     PRO    HB2    .   19932    1    
    22    .   1    1    6     6     PRO    HB3    H    1    1.735    0.004    .   1    .   .   .   A    6     PRO    HB3    .   19932    1    
    23    .   1    1    6     6     PRO    HG2    H    1    1.781    0.016    .   1    .   .   .   A    6     PRO    HG2    .   19932    1    
    24    .   1    1    6     6     PRO    HG3    H    1    1.781    0.016    .   1    .   .   .   A    6     PRO    HG3    .   19932    1    
    25    .   1    1    6     6     PRO    HD2    H    1    3.794    0.002    .   1    .   .   .   A    6     PRO    HD2    .   19932    1    
    26    .   1    1    6     6     PRO    HD3    H    1    3.736    0.004    .   1    .   .   .   A    6     PRO    HD3    .   19932    1    
    27    .   1    1    7     7     ARG    H      H    1    8.158    0.001    .   1    .   .   .   A    7     ARG    H      .   19932    1    
    28    .   1    1    7     7     ARG    HA     H    1    3.967    0.005    .   1    .   .   .   A    7     ARG    HA     .   19932    1    
    29    .   1    1    7     7     ARG    HB2    H    1    1.662    0.002    .   1    .   .   .   A    7     ARG    HB2    .   19932    1    
    30    .   1    1    7     7     ARG    HB3    H    1    1.526    0.002    .   1    .   .   .   A    7     ARG    HB3    .   19932    1    
    31    .   1    1    7     7     ARG    HG2    H    1    1.393    0.001    .   1    .   .   .   A    7     ARG    HG2    .   19932    1    
    32    .   1    1    7     7     ARG    HG3    H    1    1.393    0.001    .   1    .   .   .   A    7     ARG    HG3    .   19932    1    
    33    .   1    1    7     7     ARG    HD2    H    1    2.964    0.000    .   1    .   .   .   A    7     ARG    HD2    .   19932    1    
    34    .   1    1    7     7     ARG    HD3    H    1    2.910    0.002    .   1    .   .   .   A    7     ARG    HD3    .   19932    1    
    35    .   1    1    7     7     ARG    HE     H    1    7.338    0.001    .   1    .   .   .   A    7     ARG    HE     .   19932    1    
    36    .   1    1    8     8     CYS    H      H    1    7.513    0.003    .   1    .   .   .   A    8     CYS    H      .   19932    1    
    37    .   1    1    8     8     CYS    HA     H    1    4.103    0.009    .   1    .   .   .   A    8     CYS    HA     .   19932    1    
    38    .   1    1    8     8     CYS    HB2    H    1    2.972    0.007    .   1    .   .   .   A    8     CYS    HB2    .   19932    1    
    39    .   1    1    8     8     CYS    HB3    H    1    2.851    0.009    .   1    .   .   .   A    8     CYS    HB3    .   19932    1    
    40    .   1    1    9     9     ALA    H      H    1    7.805    0.001    .   1    .   .   .   A    9     ALA    H      .   19932    1    
    41    .   1    1    9     9     ALA    HA     H    1    3.848    0.004    .   1    .   .   .   A    9     ALA    HA     .   19932    1    
    42    .   1    1    9     9     ALA    HB1    H    1    1.025    0.002    .   1    .   .   .   A    9     ALA    HB1    .   19932    1    
    43    .   1    1    9     9     ALA    HB2    H    1    1.025    0.002    .   1    .   .   .   A    9     ALA    HB2    .   19932    1    
    44    .   1    1    9     9     ALA    HB3    H    1    1.025    0.002    .   1    .   .   .   A    9     ALA    HB3    .   19932    1    
    45    .   1    1    10    10    TRP    H      H    1    7.454    0.000    .   1    .   .   .   A    10    TRP    H      .   19932    1    
    46    .   1    1    10    10    TRP    HA     H    1    4.421    0.001    .   1    .   .   .   A    10    TRP    HA     .   19932    1    
    47    .   1    1    10    10    TRP    HB2    H    1    3.115    0.002    .   1    .   .   .   A    10    TRP    HB2    .   19932    1    
    48    .   1    1    10    10    TRP    HB3    H    1    3.045    0.003    .   1    .   .   .   A    10    TRP    HB3    .   19932    1    
    49    .   1    1    10    10    TRP    HD1    H    1    7.014    0.001    .   1    .   .   .   A    10    TRP    HD1    .   19932    1    
    50    .   1    1    10    10    TRP    HE1    H    1    9.969    0.000    .   1    .   .   .   A    10    TRP    HE1    .   19932    1    
    51    .   1    1    10    10    TRP    HE3    H    1    7.279    0.004    .   1    .   .   .   A    10    TRP    HE3    .   19932    1    
    52    .   1    1    10    10    TRP    HZ2    H    1    7.223    0.000    .   1    .   .   .   A    10    TRP    HZ2    .   19932    1    
    53    .   1    1    10    10    TRP    HZ3    H    1    6.880    0.002    .   1    .   .   .   A    10    TRP    HZ3    .   19932    1    
    54    .   1    1    10    10    TRP    HH2    H    1    6.950    0.002    .   1    .   .   .   A    10    TRP    HH2    .   19932    1    
    55    .   1    1    11    11    ARG    H      H    1    7.694    0.003    .   1    .   .   .   A    11    ARG    H      .   19932    1    
    56    .   1    1    11    11    ARG    HA     H    1    3.898    0.001    .   1    .   .   .   A    11    ARG    HA     .   19932    1    
    57    .   1    1    11    11    ARG    HB2    H    1    1.245    0.005    .   1    .   .   .   A    11    ARG    HB2    .   19932    1    
    58    .   1    1    11    11    ARG    HB3    H    1    1.245    0.005    .   1    .   .   .   A    11    ARG    HB3    .   19932    1    
    59    .   1    1    11    11    ARG    HG2    H    1    1.001    0.005    .   1    .   .   .   A    11    ARG    HG2    .   19932    1    
    60    .   1    1    11    11    ARG    HG3    H    1    0.891    0.001    .   1    .   .   .   A    11    ARG    HG3    .   19932    1    
    61    .   1    1    11    11    ARG    HD2    H    1    2.759    0.002    .   1    .   .   .   A    11    ARG    HD2    .   19932    1    
    62    .   1    1    11    11    ARG    HD3    H    1    2.759    0.002    .   1    .   .   .   A    11    ARG    HD3    .   19932    1    
    63    .   1    1    11    11    ARG    HE     H    1    6.914    0.002    .   1    .   .   .   A    11    ARG    HE     .   19932    1    
    64    .   1    1    12    12    CYS    H      H    1    7.855    0.003    .   1    .   .   .   A    12    CYS    H      .   19932    1    
    65    .   1    1    12    12    CYS    HA     H    1    4.210    0.002    .   1    .   .   .   A    12    CYS    HA     .   19932    1    
    66    .   1    1    12    12    CYS    HB2    H    1    2.796    0.001    .   1    .   .   .   A    12    CYS    HB2    .   19932    1    
    67    .   1    1    12    12    CYS    HB3    H    1    2.493    0.002    .   1    .   .   .   A    12    CYS    HB3    .   19932    1    
  stop_

save_