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                     20036
  _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                      'The proton located at C5 on the triazole ring has the value of 8.27 ppm.'
  _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 ROESY'  .   .   .   20036    1    
    2    '2D 1H-1H TOCSY'  .   .   .   20036    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    PHE    HA      H    1    5.193    0.009    .   1    .   .   .   .   1    PHE    HA     .   20036    1    
    2     .   1    1    1    1    PHE    HB2     H    1    3.493    0.051    .   2    .   .   .   .   1    PHE    QB     .   20036    1    
    3     .   1    1    1    1    PHE    HB3     H    1    3.493    0.051    .   2    .   .   .   .   1    PHE    QB     .   20036    1    
    4     .   1    1    1    1    PHE    HD1     H    1    7.081    0        .   3    .   .   .   .   1    PHE    QD     .   20036    1    
    5     .   1    1    1    1    PHE    HD2     H    1    7.081    0        .   3    .   .   .   .   1    PHE    QD     .   20036    1    
    6     .   1    1    2    2    TRP    H       H    1    8.007    0.003    .   1    .   .   .   .   2    TRP    HN     .   20036    1    
    7     .   1    1    2    2    TRP    HA      H    1    4.429    0.001    .   1    .   .   .   .   2    TRP    HA     .   20036    1    
    8     .   1    1    2    2    TRP    HB2     H    1    3.088    0.004    .   2    .   .   .   .   2    TRP    QB     .   20036    1    
    9     .   1    1    2    2    TRP    HB3     H    1    3.088    0.004    .   2    .   .   .   .   2    TRP    QB     .   20036    1    
    10    .   1    1    2    2    TRP    HD1     H    1    7.102    0        .   1    .   .   .   .   2    TRP    HD1    .   20036    1    
    11    .   1    1    2    2    TRP    HE3     H    1    7.521    0        .   1    .   .   .   .   2    TRP    HE3    .   20036    1    
    12    .   1    1    3    3    LYS    H       H    1    7.824    0.005    .   1    .   .   .   .   3    LYS    HN     .   20036    1    
    13    .   1    1    3    3    LYS    HA      H    1    3.953    0.003    .   1    .   .   .   .   3    LYS    HA     .   20036    1    
    14    .   1    1    3    3    LYS    HB2     H    1    1.678    0.084    .   2    .   .   .   .   3    LYS    QB     .   20036    1    
    15    .   1    1    3    3    LYS    HB3     H    1    1.678    0.084    .   2    .   .   .   .   3    LYS    QB     .   20036    1    
    16    .   1    1    3    3    LYS    HD2     H    1    1.489    0        .   2    .   .   .   .   3    LYS    QD     .   20036    1    
    17    .   1    1    3    3    LYS    HD3     H    1    1.489    0        .   2    .   .   .   .   3    LYS    QD     .   20036    1    
    18    .   1    1    3    3    LYS    HE2     H    1    2.705    0        .   2    .   .   .   .   3    LYS    QE     .   20036    1    
    19    .   1    1    3    3    LYS    HE3     H    1    2.705    0        .   2    .   .   .   .   3    LYS    QE     .   20036    1    
    20    .   1    1    3    3    LYS    HG2     H    1    1.182    0        .   2    .   .   .   .   3    LYS    QG     .   20036    1    
    21    .   1    1    3    3    LYS    HG3     H    1    1.182    0        .   2    .   .   .   .   3    LYS    QG     .   20036    1    
    22    .   1    1    3    3    LYS    HZ1     H    1    7.614    0.003    .   1    .   .   .   .   3    LYS    QZ     .   20036    1    
    23    .   1    1    3    3    LYS    HZ2     H    1    7.614    0.003    .   1    .   .   .   .   3    LYS    QZ     .   20036    1    
    24    .   1    1    3    3    LYS    HZ3     H    1    7.614    0.003    .   1    .   .   .   .   3    LYS    QZ     .   20036    1    
    25    .   1    1    4    4    THR    H       H    1    7.766    0.004    .   1    .   .   .   .   4    THR    HN     .   20036    1    
    26    .   1    1    4    4    THR    HA      H    1    4.532    0.002    .   1    .   .   .   .   4    THR    HA     .   20036    1    
    27    .   1    1    4    4    THR    HB      H    1    4.229    0.004    .   1    .   .   .   .   4    THR    HB     .   20036    1    
    28    .   1    1    4    4    THR    HG1     H    1    5.16     0.004    .   1    .   .   .   .   4    THR    HG1    .   20036    1    
    29    .   1    1    4    4    THR    HG21    H    1    1.129    0.001    .   1    .   .   .   .   4    THR    QG2    .   20036    1    
    30    .   1    1    4    4    THR    HG22    H    1    1.129    0.001    .   1    .   .   .   .   4    THR    QG2    .   20036    1    
    31    .   1    1    4    4    THR    HG23    H    1    1.129    0.001    .   1    .   .   .   .   4    THR    QG2    .   20036    1    
  stop_

save_