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                     16399
  _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'  .   .   .   16399    1    
    2    '2D 1H-1H NOESY'  .   .   .   16399    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     SER    HA      H    1    4.85     .   .   1    .   .   .   .   1     SER    HA      .   16399    1    
    2     .   1    1    1     1     SER    HB2     H    1    4.21     .   .   2    .   .   .   .   1     SER    HB2     .   16399    1    
    3     .   1    1    1     1     SER    HB3     H    1    4.21     .   .   2    .   .   .   .   1     SER    HB3     .   16399    1    
    4     .   1    1    2     2     VAL    H       H    1    8.74     .   .   1    .   .   .   .   2     VAL    H       .   16399    1    
    5     .   1    1    2     2     VAL    HA      H    1    4.85     .   .   1    .   .   .   .   2     VAL    HA      .   16399    1    
    6     .   1    1    2     2     VAL    HB      H    1    2.03     .   .   1    .   .   .   .   2     VAL    HB      .   16399    1    
    7     .   1    1    2     2     VAL    HG11    H    1    0.87     .   .   2    .   .   .   .   2     VAL    MG1     .   16399    1    
    8     .   1    1    2     2     VAL    HG12    H    1    0.87     .   .   2    .   .   .   .   2     VAL    MG1     .   16399    1    
    9     .   1    1    2     2     VAL    HG13    H    1    0.87     .   .   2    .   .   .   .   2     VAL    MG1     .   16399    1    
    10    .   1    1    2     2     VAL    HG21    H    1    0.87     .   .   2    .   .   .   .   2     VAL    MG2     .   16399    1    
    11    .   1    1    2     2     VAL    HG22    H    1    0.87     .   .   2    .   .   .   .   2     VAL    MG2     .   16399    1    
    12    .   1    1    2     2     VAL    HG23    H    1    0.87     .   .   2    .   .   .   .   2     VAL    MG2     .   16399    1    
    13    .   1    1    3     3     THR    H       H    1    8.91     .   .   1    .   .   .   .   3     THR    H       .   16399    1    
    14    .   1    1    3     3     THR    HA      H    1    4.85     .   .   1    .   .   .   .   3     THR    HA      .   16399    1    
    15    .   1    1    3     3     THR    HB      H    1    4.09     .   .   1    .   .   .   .   3     THR    HB      .   16399    1    
    16    .   1    1    3     3     THR    HG1     H    1    2.03     .   .   1    .   .   .   .   3     THR    HG1     .   16399    1    
    17    .   1    1    4     4     TRP    H       H    1    8.79     .   .   1    .   .   .   .   4     TRP    H       .   16399    1    
    18    .   1    1    4     4     TRP    HA      H    1    4.62     .   .   1    .   .   .   .   4     TRP    HA      .   16399    1    
    19    .   1    1    4     4     TRP    HB2     H    1    2.96     .   .   2    .   .   .   .   4     TRP    HB2     .   16399    1    
    20    .   1    1    4     4     TRP    HB3     H    1    2.29     .   .   2    .   .   .   .   4     TRP    HB3     .   16399    1    
    21    .   1    1    4     4     TRP    HD1     H    1    6.82     .   .   1    .   .   .   .   4     TRP    HD1     .   16399    1    
    22    .   1    1    4     4     TRP    HE1     H    1    9.92     .   .   1    .   .   .   .   4     TRP    HE1     .   16399    1    
    23    .   1    1    4     4     TRP    HE3     H    1    5.84     .   .   1    .   .   .   .   4     TRP    HE3     .   16399    1    
    24    .   1    1    4     4     TRP    HH2     H    1    6.96     .   .   1    .   .   .   .   4     TRP    HH2     .   16399    1    
    25    .   1    1    4     4     TRP    HZ2     H    1    7.25     .   .   1    .   .   .   .   4     TRP    HZ2     .   16399    1    
    26    .   1    1    4     4     TRP    HZ3     H    1    6.51     .   .   1    .   .   .   .   4     TRP    HZ3     .   16399    1    
    27    .   1    1    5     5     GLU    H       H    1    8.41     .   .   1    .   .   .   .   5     GLU    H       .   16399    1    
    28    .   1    1    5     5     GLU    HA      H    1    4.20     .   .   1    .   .   .   .   5     GLU    HA      .   16399    1    
    29    .   1    1    5     5     GLU    HB2     H    1    1.75     .   .   2    .   .   .   .   5     GLU    HB2     .   16399    1    
    30    .   1    1    5     5     GLU    HB3     H    1    1.86     .   .   2    .   .   .   .   5     GLU    HB3     .   16399    1    
    31    .   1    1    5     5     GLU    HG2     H    1    2.07     .   .   2    .   .   .   .   5     GLU    HG2     .   16399    1    
    32    .   1    1    5     5     GLU    HG3     H    1    2.07     .   .   2    .   .   .   .   5     GLU    HG3     .   16399    1    
    33    .   1    1    6     6     ASN    H       H    1    8.98     .   .   1    .   .   .   .   6     ASN    H       .   16399    1    
    34    .   1    1    6     6     ASN    HA      H    1    4.21     .   .   1    .   .   .   .   6     ASN    HA      .   16399    1    
    35    .   1    1    6     6     ASN    HB2     H    1    2.84     .   .   2    .   .   .   .   6     ASN    HB2     .   16399    1    
    36    .   1    1    6     6     ASN    HB3     H    1    2.60     .   .   2    .   .   .   .   6     ASN    HB3     .   16399    1    
    37    .   1    1    6     6     ASN    HD21    H    1    7.66     .   .   2    .   .   .   .   6     ASN    HD21    .   16399    1    
    38    .   1    1    6     6     ASN    HD22    H    1    7.66     .   .   2    .   .   .   .   6     ASN    HD22    .   16399    1    
    39    .   1    1    7     7     GLY    H       H    1    7.66     .   .   1    .   .   .   .   7     GLY    H       .   16399    1    
    40    .   1    1    7     7     GLY    HA2     H    1    3.75     .   .   2    .   .   .   .   7     GLY    HA2     .   16399    1    
    41    .   1    1    7     7     GLY    HA3     H    1    3.29     .   .   2    .   .   .   .   7     GLY    HA3     .   16399    1    
    42    .   1    1    8     8     LYS    H       H    1    6.92     .   .   1    .   .   .   .   8     LYS    H       .   16399    1    
    43    .   1    1    8     8     LYS    HA      H    1    4.08     .   .   1    .   .   .   .   8     LYS    HA      .   16399    1    
    44    .   1    1    8     8     LYS    HB2     H    1    1.62     .   .   2    .   .   .   .   8     LYS    HB2     .   16399    1    
    45    .   1    1    8     8     LYS    HB3     H    1    1.62     .   .   2    .   .   .   .   8     LYS    HB3     .   16399    1    
    46    .   1    1    8     8     LYS    HD2     H    1    1.55     .   .   2    .   .   .   .   8     LYS    HD2     .   16399    1    
    47    .   1    1    8     8     LYS    HD3     H    1    1.55     .   .   2    .   .   .   .   8     LYS    HD3     .   16399    1    
    48    .   1    1    8     8     LYS    HG2     H    1    1.10     .   .   2    .   .   .   .   8     LYS    HG2     .   16399    1    
    49    .   1    1    8     8     LYS    HG3     H    1    1.10     .   .   2    .   .   .   .   8     LYS    HG3     .   16399    1    
    50    .   1    1    9     9     TRP    H       H    1    8.38     .   .   1    .   .   .   .   9     TRP    H       .   16399    1    
    51    .   1    1    9     9     TRP    HA      H    1    5.04     .   .   1    .   .   .   .   9     TRP    HA      .   16399    1    
    52    .   1    1    9     9     TRP    HB2     H    1    3.13     .   .   2    .   .   .   .   9     TRP    HB2     .   16399    1    
    53    .   1    1    9     9     TRP    HB3     H    1    3.10     .   .   2    .   .   .   .   9     TRP    HB3     .   16399    1    
    54    .   1    1    9     9     TRP    HD1     H    1    7.41     .   .   1    .   .   .   .   9     TRP    HD1     .   16399    1    
    55    .   1    1    9     9     TRP    HE1     H    1    10.24    .   .   1    .   .   .   .   9     TRP    HE1     .   16399    1    
    56    .   1    1    9     9     TRP    HE3     H    1    7.45     .   .   1    .   .   .   .   9     TRP    HE3     .   16399    1    
    57    .   1    1    9     9     TRP    HH2     H    1    7.16     .   .   1    .   .   .   .   9     TRP    HH2     .   16399    1    
    58    .   1    1    9     9     TRP    HZ2     H    1    7.35     .   .   1    .   .   .   .   9     TRP    HZ2     .   16399    1    
    59    .   1    1    9     9     TRP    HZ3     H    1    7.08     .   .   1    .   .   .   .   9     TRP    HZ3     .   16399    1    
    60    .   1    1    10    10    THR    H       H    1    9.27     .   .   1    .   .   .   .   10    THR    H       .   16399    1    
    61    .   1    1    10    10    THR    HA      H    1    4.50     .   .   1    .   .   .   .   10    THR    HA      .   16399    1    
    62    .   1    1    10    10    THR    HB      H    1    4.07     .   .   1    .   .   .   .   10    THR    HB      .   16399    1    
    63    .   1    1    10    10    THR    HG21    H    1    1.13     .   .   1    .   .   .   .   10    THR    MG      .   16399    1    
    64    .   1    1    10    10    THR    HG22    H    1    1.13     .   .   1    .   .   .   .   10    THR    MG      .   16399    1    
    65    .   1    1    10    10    THR    HG23    H    1    1.13     .   .   1    .   .   .   .   10    THR    MG      .   16399    1    
    66    .   1    1    11    11    VAL    H       H    1    8.59     .   .   1    .   .   .   .   11    VAL    H       .   16399    1    
    67    .   1    1    11    11    VAL    HA      H    1    4.50     .   .   1    .   .   .   .   11    VAL    HA      .   16399    1    
    68    .   1    1    11    11    VAL    HB      H    1    2.04     .   .   1    .   .   .   .   11    VAL    HB      .   16399    1    
    69    .   1    1    11    11    VAL    HG11    H    1    1.00     .   .   2    .   .   .   .   11    VAL    MG1     .   16399    1    
    70    .   1    1    11    11    VAL    HG12    H    1    1.00     .   .   2    .   .   .   .   11    VAL    MG1     .   16399    1    
    71    .   1    1    11    11    VAL    HG13    H    1    1.00     .   .   2    .   .   .   .   11    VAL    MG1     .   16399    1    
    72    .   1    1    11    11    VAL    HG21    H    1    0.95     .   .   2    .   .   .   .   11    VAL    MG2     .   16399    1    
    73    .   1    1    11    11    VAL    HG22    H    1    0.95     .   .   2    .   .   .   .   11    VAL    MG2     .   16399    1    
    74    .   1    1    11    11    VAL    HG23    H    1    0.95     .   .   2    .   .   .   .   11    VAL    MG2     .   16399    1    
    75    .   1    1    12    12    LYS    H       H    1    8.31     .   .   1    .   .   .   .   12    LYS    H       .   16399    1    
    76    .   1    1    12    12    LYS    HA      H    1    4.26     .   .   1    .   .   .   .   12    LYS    HA      .   16399    1    
    77    .   1    1    12    12    LYS    HB2     H    1    1.80     .   .   2    .   .   .   .   12    LYS    HB2     .   16399    1    
    78    .   1    1    12    12    LYS    HB3     H    1    1.80     .   .   2    .   .   .   .   12    LYS    HB3     .   16399    1    
    79    .   1    1    12    12    LYS    HD2     H    1    1.67     .   .   2    .   .   .   .   12    LYS    HD2     .   16399    1    
    80    .   1    1    12    12    LYS    HD3     H    1    1.67     .   .   2    .   .   .   .   12    LYS    HD3     .   16399    1    
    81    .   1    1    12    12    LYS    HG2     H    1    1.35     .   .   2    .   .   .   .   12    LYS    HG2     .   16399    1    
    82    .   1    1    12    12    LYS    HG3     H    1    1.35     .   .   2    .   .   .   .   12    LYS    HG3     .   16399    1    
  stop_

save_