Content for NMR-STAR saveframe, "chemical_shift_set_2"

    save_chemical_shift_set_2
  _Assigned_chem_shift_list.Sf_category                  assigned_chemical_shifts
  _Assigned_chem_shift_list.Sf_framecode                 chemical_shift_set_2
  _Assigned_chem_shift_list.Entry_ID                     5532
  _Assigned_chem_shift_list.ID                           2
  _Assigned_chem_shift_list.Sample_condition_list_ID     1
  _Assigned_chem_shift_list.Sample_condition_list_label  $sample_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   .   5532    2    
  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     .   2    2    1    1    PRO    C       C    13    156.212    0.000    .   1    .   .   .   .   .   .   .   .   5532    2    
    2     .   2    2    1    1    PRO    CA      C    13    61.910     0.037    .   1    .   .   .   .   .   .   .   .   5532    2    
    3     .   2    2    1    1    PRO    CB      C    13    32.527     0.061    .   1    .   .   .   .   .   .   .   .   5532    2    
    4     .   2    2    1    1    PRO    CD      C    13    49.220     0.064    .   1    .   .   .   .   .   .   .   .   5532    2    
    5     .   2    2    1    1    PRO    CG      C    13    26.093     0.056    .   1    .   .   .   .   .   .   .   .   5532    2    
    6     .   2    2    1    1    PRO    HA      H    1     4.297      0.030    .   1    .   .   .   .   .   .   .   .   5532    2    
    7     .   2    2    1    1    PRO    HB2     H    1     1.808      0.025    .   1    .   .   .   .   .   .   .   .   5532    2    
    8     .   2    2    1    1    PRO    HB3     H    1     2.259      0.019    .   1    .   .   .   .   .   .   .   .   5532    2    
    9     .   2    2    1    1    PRO    HG2     H    1     1.658      0.008    .   1    .   .   .   .   .   .   .   .   5532    2    
    10    .   2    2    1    1    PRO    HG3     H    1     1.852      0.006    .   1    .   .   .   .   .   .   .   .   5532    2    
    11    .   2    2    1    1    PRO    HD2     H    1     3.158      0.017    .   1    .   .   .   .   .   .   .   .   5532    2    
    12    .   2    2    2    2    GLU    CA      C    13    54.173     0.060    .   1    .   .   .   .   .   .   .   .   5532    2    
    13    .   2    2    2    2    GLU    CB      C    13    29.436     0.057    .   1    .   .   .   .   .   .   .   .   5532    2    
    14    .   2    2    2    2    GLU    CG      C    13    35.480     0.071    .   1    .   .   .   .   .   .   .   .   5532    2    
    15    .   2    2    2    2    GLU    HA      H    1     4.569      0.027    .   1    .   .   .   .   .   .   .   .   5532    2    
    16    .   2    2    2    2    GLU    HB2     H    1     1.812      0.008    .   1    .   .   .   .   .   .   .   .   5532    2    
    17    .   2    2    2    2    GLU    HB3     H    1     1.961      0.010    .   1    .   .   .   .   .   .   .   .   5532    2    
    18    .   2    2    2    2    GLU    H       H    1     8.598      0.009    .   1    .   .   .   .   .   .   .   .   5532    2    
    19    .   2    2    2    2    GLU    N       N    15    121.096    0.000    .   1    .   .   .   .   .   .   .   .   5532    2    
    20    .   2    2    2    2    GLU    HG2     H    1     2.262      0.017    .   1    .   .   .   .   .   .   .   .   5532    2    
    21    .   2    2    3    3    PRO    C       C    13    150.585    0.000    .   1    .   .   .   .   .   .   .   .   5532    2    
    22    .   2    2    3    3    PRO    CB      C    13    32.008     0.086    .   1    .   .   .   .   .   .   .   .   5532    2    
    23    .   2    2    3    3    PRO    CD      C    13    50.420     0.092    .   1    .   .   .   .   .   .   .   .   5532    2    
    24    .   2    2    3    3    PRO    CG      C    13    27.621     0.061    .   1    .   .   .   .   .   .   .   .   5532    2    
    25    .   2    2    3    3    PRO    HA      H    1     4.336      0.072    .   1    .   .   .   .   .   .   .   .   5532    2    
    26    .   2    2    3    3    PRO    HB2     H    1     1.789      0.084    .   1    .   .   .   .   .   .   .   .   5532    2    
    27    .   2    2    3    3    PRO    HB3     H    1     1.900      0.082    .   1    .   .   .   .   .   .   .   .   5532    2    
    28    .   2    2    3    3    PRO    HD2     H    1     3.574      0.008    .   1    .   .   .   .   .   .   .   .   5532    2    
    29    .   2    2    3    3    PRO    HD3     H    1     3.852      0.011    .   1    .   .   .   .   .   .   .   .   5532    2    
    30    .   2    2    3    3    PRO    HG2     H    1     1.733      0.011    .   1    .   .   .   .   .   .   .   .   5532    2    
    31    .   2    2    3    3    PRO    HG3     H    1     2.030      0.015    .   1    .   .   .   .   .   .   .   .   5532    2    
    32    .   2    2    4    4    THR    C       C    13    178.588    0.000    .   1    .   .   .   .   .   .   .   .   5532    2    
    33    .   2    2    4    4    THR    CA      C    13    59.275     0.080    .   1    .   .   .   .   .   .   .   .   5532    2    
    34    .   2    2    4    4    THR    CB      C    13    73.891     0.083    .   1    .   .   .   .   .   .   .   .   5532    2    
    35    .   2    2    4    4    THR    CG2     C    13    23.345     0.033    .   1    .   .   .   .   .   .   .   .   5532    2    
    36    .   2    2    4    4    THR    HA      H    1     4.547      0.007    .   1    .   .   .   .   .   .   .   .   5532    2    
    37    .   2    2    4    4    THR    HB      H    1     4.442      0.026    .   1    .   .   .   .   .   .   .   .   5532    2    
    38    .   2    2    4    4    THR    HG1     H    1     6.124      0.014    .   1    .   .   .   .   .   .   .   .   5532    2    
    39    .   2    2    4    4    THR    H       H    1     7.952      0.008    .   1    .   .   .   .   .   .   .   .   5532    2    
    40    .   2    2    4    4    THR    N       N    15    117.195    0.000    .   1    .   .   .   .   .   .   .   .   5532    2    
    41    .   2    2    4    4    THR    HG21    H    1     1.226      0.017    .   1    .   .   .   .   .   .   .   .   5532    2    
    42    .   2    2    4    4    THR    HG22    H    1     1.226      0.017    .   1    .   .   .   .   .   .   .   .   5532    2    
    43    .   2    2    4    4    THR    HG23    H    1     1.226      0.017    .   1    .   .   .   .   .   .   .   .   5532    2    
    44    .   2    2    5    5    ALA    CA      C    13    49.036     0.043    .   1    .   .   .   .   .   .   .   .   5532    2    
    45    .   2    2    5    5    ALA    CB      C    13    20.016     0.036    .   1    .   .   .   .   .   .   .   .   5532    2    
    46    .   2    2    5    5    ALA    HA      H    1     4.254      0.020    .   1    .   .   .   .   .   .   .   .   5532    2    
    47    .   2    2    5    5    ALA    H       H    1     8.994      0.013    .   1    .   .   .   .   .   .   .   .   5532    2    
    48    .   2    2    5    5    ALA    N       N    15    115.284    0.000    .   1    .   .   .   .   .   .   .   .   5532    2    
    49    .   2    2    5    5    ALA    HB1     H    1     0.943      0.012    .   1    .   .   .   .   .   .   .   .   5532    2    
    50    .   2    2    5    5    ALA    HB2     H    1     0.943      0.012    .   1    .   .   .   .   .   .   .   .   5532    2    
    51    .   2    2    5    5    ALA    HB3     H    1     0.943      0.012    .   1    .   .   .   .   .   .   .   .   5532    2    
    52    .   2    2    6    6    PRO    CA      C    13    60.268     0.047    .   1    .   .   .   .   .   .   .   .   5532    2    
    53    .   2    2    6    6    PRO    CB      C    13    29.905     0.058    .   1    .   .   .   .   .   .   .   .   5532    2    
    54    .   2    2    6    6    PRO    CD      C    13    48.571     0.042    .   1    .   .   .   .   .   .   .   .   5532    2    
    55    .   2    2    6    6    PRO    CG      C    13    26.200     0.056    .   1    .   .   .   .   .   .   .   .   5532    2    
    56    .   2    2    6    6    PRO    HA      H    1     4.054      0.008    .   1    .   .   .   .   .   .   .   .   5532    2    
    57    .   2    2    6    6    PRO    HB2     H    1     1.729      0.010    .   1    .   .   .   .   .   .   .   .   5532    2    
    58    .   2    2    6    6    PRO    HB3     H    1     1.939      0.009    .   1    .   .   .   .   .   .   .   .   5532    2    
    59    .   2    2    6    6    PRO    HD2     H    1     2.095      0.012    .   1    .   .   .   .   .   .   .   .   5532    2    
    60    .   2    2    6    6    PRO    HD3     H    1     3.243      0.017    .   1    .   .   .   .   .   .   .   .   5532    2    
    61    .   2    2    6    6    PRO    HG2     H    1     0.648      0.012    .   1    .   .   .   .   .   .   .   .   5532    2    
    62    .   2    2    6    6    PRO    HG3     H    1     1.090      0.011    .   1    .   .   .   .   .   .   .   .   5532    2    
    63    .   2    2    7    7    PRO    C       C    13    181.355    0.000    .   1    .   .   .   .   .   .   .   .   5532    2    
    64    .   2    2    7    7    PRO    CA      C    13    62.439     0.000    .   1    .   .   .   .   .   .   .   .   5532    2    
    65    .   2    2    7    7    PRO    CB      C    13    31.821     0.062    .   1    .   .   .   .   .   .   .   .   5532    2    
    66    .   2    2    7    7    PRO    CD      C    13    50.159     0.050    .   1    .   .   .   .   .   .   .   .   5532    2    
    67    .   2    2    7    7    PRO    CG      C    13    27.235     0.067    .   1    .   .   .   .   .   .   .   .   5532    2    
    68    .   2    2    7    7    PRO    HA      H    1     4.703      0.012    .   1    .   .   .   .   .   .   .   .   5532    2    
    69    .   2    2    7    7    PRO    HB2     H    1     1.971      0.009    .   1    .   .   .   .   .   .   .   .   5532    2    
    70    .   2    2    7    7    PRO    HB3     H    1     2.267      0.005    .   1    .   .   .   .   .   .   .   .   5532    2    
    71    .   2    2    7    7    PRO    HD2     H    1     3.705      0.014    .   1    .   .   .   .   .   .   .   .   5532    2    
    72    .   2    2    7    7    PRO    HD3     H    1     3.869      0.015    .   1    .   .   .   .   .   .   .   .   5532    2    
    73    .   2    2    7    7    PRO    HG2     H    1     2.132      0.005    .   1    .   .   .   .   .   .   .   .   5532    2    
    74    .   2    2    8    8    GLU    C       C    13    173.168    0.000    .   1    .   .   .   .   .   .   .   .   5532    2    
    75    .   2    2    8    8    GLU    CA      C    13    57.487     0.054    .   1    .   .   .   .   .   .   .   .   5532    2    
    76    .   2    2    8    8    GLU    CB      C    13    30.202     0.094    .   1    .   .   .   .   .   .   .   .   5532    2    
    77    .   2    2    8    8    GLU    CG      C    13    35.961     0.125    .   1    .   .   .   .   .   .   .   .   5532    2    
    78    .   2    2    8    8    GLU    HA      H    1     3.648      0.012    .   1    .   .   .   .   .   .   .   .   5532    2    
    79    .   2    2    8    8    GLU    HB2     H    1     1.713      0.009    .   1    .   .   .   .   .   .   .   .   5532    2    
    80    .   2    2    8    8    GLU    HB3     H    1     1.820      0.044    .   1    .   .   .   .   .   .   .   .   5532    2    
    81    .   2    2    8    8    GLU    H       H    1     8.313      0.019    .   1    .   .   .   .   .   .   .   .   5532    2    
    82    .   2    2    8    8    GLU    N       N    15    120.877    0.000    .   1    .   .   .   .   .   .   .   .   5532    2    
    83    .   2    2    8    8    GLU    HG2     H    1     1.991      0.065    .   1    .   .   .   .   .   .   .   .   5532    2    
    84    .   2    2    9    9    GLU    CA      C    13    57.293     0.031    .   1    .   .   .   .   .   .   .   .   5532    2    
    85    .   2    2    9    9    GLU    CB      C    13    31.310     0.080    .   1    .   .   .   .   .   .   .   .   5532    2    
    86    .   2    2    9    9    GLU    CG      C    13    36.410     0.041    .   1    .   .   .   .   .   .   .   .   5532    2    
    87    .   2    2    9    9    GLU    HA      H    1     4.083      0.029    .   1    .   .   .   .   .   .   .   .   5532    2    
    88    .   2    2    9    9    GLU    HB2     H    1     1.707      0.009    .   1    .   .   .   .   .   .   .   .   5532    2    
    89    .   2    2    9    9    GLU    HB3     H    1     1.986      0.010    .   1    .   .   .   .   .   .   .   .   5532    2    
    90    .   2    2    9    9    GLU    H       H    1     7.628      0.014    .   1    .   .   .   .   .   .   .   .   5532    2    
    91    .   2    2    9    9    GLU    N       N    15    128.572    0.000    .   1    .   .   .   .   .   .   .   .   5532    2    
    92    .   2    2    9    9    GLU    HG2     H    1     2.225      0.019    .   1    .   .   .   .   .   .   .   .   5532    2    
  stop_

save_