Content for NMR-STAR saveframe, "assigned_chemical_shifts_one"

    save_assigned_chemical_shifts_one
  _Assigned_chem_shift_list.Sf_category                  assigned_chemical_shifts
  _Assigned_chem_shift_list.Sf_framecode                 assigned_chemical_shifts_one
  _Assigned_chem_shift_list.Entry_ID                     4179
  _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_one
  _Assigned_chem_shift_list.Chem_shift_reference_ID      1
  _Assigned_chem_shift_list.Chem_shift_reference_label   $chemical_shift_reference_one
  _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                      
;
There was a minor conformer present due to cis-trans isomerization about the 
N-acetyl-proline peptide bond.  Chemical shifts of the NH and alpha 
protons are reported for Pro5-Tyr10 of the minor conformer and for the 
beta proton of Ser6.  The remaining protons appeared to have the same 
chemical shift as in both the cis and the trans conformers or they were 
not assigned.
;

  _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_one   .   4179    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     PRO    HA      H    1    4.61    .   .   1    .   .   .   .   .   .   .   .   4179    1    
    2     .   1    1    1     1     PRO    HB2     H    1    1.95    .   .   2    .   .   .   .   .   .   .   .   4179    1    
    3     .   1    1    1     1     PRO    HB3     H    1    1.86    .   .   2    .   .   .   .   .   .   .   .   4179    1    
    4     .   1    1    1     1     PRO    HG2     H    1    2.10    .   .   1    .   .   .   .   .   .   .   .   4179    1    
    5     .   1    1    1     1     PRO    HG3     H    1    2.10    .   .   1    .   .   .   .   .   .   .   .   4179    1    
    6     .   1    1    1     1     PRO    HD2     H    1    2.40    .   .   1    .   .   .   .   .   .   .   .   4179    1    
    7     .   1    1    1     1     PRO    HD3     H    1    2.40    .   .   1    .   .   .   .   .   .   .   .   4179    1    
    8     .   1    1    2     2     SER    H       H    1    8.38    .   .   1    .   .   .   .   .   .   .   .   4179    1    
    9     .   1    1    2     2     SER    HA      H    1    4.35    .   .   1    .   .   .   .   .   .   .   .   4179    1    
    10    .   1    1    2     2     SER    HB2     H    1    3.82    .   .   1    .   .   .   .   .   .   .   .   4179    1    
    11    .   1    1    2     2     SER    HB3     H    1    3.82    .   .   1    .   .   .   .   .   .   .   .   4179    1    
    12    .   1    1    3     3     VAL    H       H    1    8.03    .   .   1    .   .   .   .   .   .   .   .   4179    1    
    13    .   1    1    3     3     VAL    HA      H    1    4.07    .   .   1    .   .   .   .   .   .   .   .   4179    1    
    14    .   1    1    3     3     VAL    HB      H    1    2.08    .   .   1    .   .   .   .   .   .   .   .   4179    1    
    15    .   1    1    3     3     VAL    HG11    H    1    0.92    .   .   1    .   .   .   .   .   .   .   .   4179    1    
    16    .   1    1    3     3     VAL    HG12    H    1    0.92    .   .   1    .   .   .   .   .   .   .   .   4179    1    
    17    .   1    1    3     3     VAL    HG13    H    1    0.92    .   .   1    .   .   .   .   .   .   .   .   4179    1    
    18    .   1    1    3     3     VAL    HG21    H    1    0.92    .   .   1    .   .   .   .   .   .   .   .   4179    1    
    19    .   1    1    3     3     VAL    HG22    H    1    0.92    .   .   1    .   .   .   .   .   .   .   .   4179    1    
    20    .   1    1    3     3     VAL    HG23    H    1    0.92    .   .   1    .   .   .   .   .   .   .   .   4179    1    
    21    .   1    1    4     4     ARG    H       H    1    8.31    .   .   1    .   .   .   .   .   .   .   .   4179    1    
    22    .   1    1    4     4     ARG    HA      H    1    4.18    .   .   1    .   .   .   .   .   .   .   .   4179    1    
    23    .   1    1    4     4     ARG    HB2     H    1    1.57    .   .   2    .   .   .   .   .   .   .   .   4179    1    
    24    .   1    1    4     4     ARG    HB3     H    1    1.52    .   .   2    .   .   .   .   .   .   .   .   4179    1    
    25    .   1    1    4     4     ARG    HG2     H    1    1.70    .   .   1    .   .   .   .   .   .   .   .   4179    1    
    26    .   1    1    4     4     ARG    HG3     H    1    1.70    .   .   1    .   .   .   .   .   .   .   .   4179    1    
    27    .   1    1    4     4     ARG    HD2     H    1    3.14    .   .   2    .   .   .   .   .   .   .   .   4179    1    
    28    .   1    1    4     4     ARG    HD3     H    1    3.90    .   .   2    .   .   .   .   .   .   .   .   4179    1    
    29    .   1    1    5     5     LYS    H       H    1    8.25    .   .   1    .   .   .   .   .   .   .   .   4179    1    
    30    .   1    1    5     5     LYS    HA      H    1    4.17    .   .   1    .   .   .   .   .   .   .   .   4179    1    
    31    .   1    1    5     5     LYS    HB2     H    1    1.32    .   .   2    .   .   .   .   .   .   .   .   4179    1    
    32    .   1    1    5     5     LYS    HB3     H    1    1.23    .   .   2    .   .   .   .   .   .   .   .   4179    1    
    33    .   1    1    5     5     LYS    HG2     H    1    1.65    .   .   1    .   .   .   .   .   .   .   .   4179    1    
    34    .   1    1    5     5     LYS    HG3     H    1    1.65    .   .   1    .   .   .   .   .   .   .   .   4179    1    
    35    .   1    1    5     5     LYS    HD2     H    1    2.93    .   .   1    .   .   .   .   .   .   .   .   4179    1    
    36    .   1    1    5     5     LYS    HD3     H    1    2.93    .   .   1    .   .   .   .   .   .   .   .   4179    1    
    37    .   1    1    6     6     TYR    H       H    1    8.19    .   .   1    .   .   .   .   .   .   .   .   4179    1    
    38    .   1    1    6     6     TYR    HA      H    1    4.41    .   .   1    .   .   .   .   .   .   .   .   4179    1    
    39    .   1    1    6     6     TYR    HB2     H    1    3.05    .   .   2    .   .   .   .   .   .   .   .   4179    1    
    40    .   1    1    6     6     TYR    HB3     H    1    2.89    .   .   2    .   .   .   .   .   .   .   .   4179    1    
    41    .   1    1    7     7     ALA    H       H    1    8.20    .   .   1    .   .   .   .   .   .   .   .   4179    1    
    42    .   1    1    7     7     ALA    HA      H    1    4.21    .   .   1    .   .   .   .   .   .   .   .   4179    1    
    43    .   1    1    7     7     ALA    HB1     H    1    1.36    .   .   1    .   .   .   .   .   .   .   .   4179    1    
    44    .   1    1    7     7     ALA    HB2     H    1    1.36    .   .   1    .   .   .   .   .   .   .   .   4179    1    
    45    .   1    1    7     7     ALA    HB3     H    1    1.36    .   .   1    .   .   .   .   .   .   .   .   4179    1    
    46    .   1    1    8     8     ARG    H       H    1    8.24    .   .   1    .   .   .   .   .   .   .   .   4179    1    
    47    .   1    1    8     8     ARG    HA      H    1    4.18    .   .   1    .   .   .   .   .   .   .   .   4179    1    
    48    .   1    1    8     8     ARG    HB2     H    1    1.63    .   .   1    .   .   .   .   .   .   .   .   4179    1    
    49    .   1    1    8     8     ARG    HB3     H    1    1.63    .   .   1    .   .   .   .   .   .   .   .   4179    1    
    50    .   1    1    8     8     ARG    HG2     H    1    1.83    .   .   2    .   .   .   .   .   .   .   .   4179    1    
    51    .   1    1    8     8     ARG    HG3     H    1    1.76    .   .   2    .   .   .   .   .   .   .   .   4179    1    
    52    .   1    1    8     8     ARG    HD2     H    1    4.08    .   .   2    .   .   .   .   .   .   .   .   4179    1    
    53    .   1    1    8     8     ARG    HD3     H    1    3.19    .   .   2    .   .   .   .   .   .   .   .   4179    1    
    54    .   1    1    8     8     ARG    HE      H    1    7.20    .   .   1    .   .   .   .   .   .   .   .   4179    1    
    55    .   1    1    9     9     GLU    H       H    1    8.48    .   .   1    .   .   .   .   .   .   .   .   4179    1    
    56    .   1    1    9     9     GLU    HA      H    1    4.23    .   .   1    .   .   .   .   .   .   .   .   4179    1    
    57    .   1    1    9     9     GLU    HB2     H    1    1.97    .   .   1    .   .   .   .   .   .   .   .   4179    1    
    58    .   1    1    9     9     GLU    HB3     H    1    1.97    .   .   1    .   .   .   .   .   .   .   .   4179    1    
    59    .   1    1    9     9     GLU    HG2     H    1    2.29    .   .   2    .   .   .   .   .   .   .   .   4179    1    
    60    .   1    1    9     9     GLU    HG3     H    1    2.06    .   .   2    .   .   .   .   .   .   .   .   4179    1    
    61    .   1    1    10    10    LYS    H       H    1    8.40    .   .   1    .   .   .   .   .   .   .   .   4179    1    
    62    .   1    1    10    10    LYS    HA      H    1    4.21    .   .   1    .   .   .   .   .   .   .   .   4179    1    
    63    .   1    1    10    10    LYS    HB2     H    1    1.80    .   .   1    .   .   .   .   .   .   .   .   4179    1    
    64    .   1    1    10    10    LYS    HB3     H    1    1.80    .   .   1    .   .   .   .   .   .   .   .   4179    1    
    65    .   1    1    10    10    LYS    HG2     H    1    1.67    .   .   2    .   .   .   .   .   .   .   .   4179    1    
    66    .   1    1    10    10    LYS    HG3     H    1    1.44    .   .   2    .   .   .   .   .   .   .   .   4179    1    
    67    .   1    1    10    10    LYS    HD2     H    1    2.97    .   .   1    .   .   .   .   .   .   .   .   4179    1    
    68    .   1    1    10    10    LYS    HD3     H    1    2.97    .   .   1    .   .   .   .   .   .   .   .   4179    1    
    69    .   1    1    10    10    LYS    HE2     H    1    3.92    .   .   1    .   .   .   .   .   .   .   .   4179    1    
    70    .   1    1    10    10    LYS    HE3     H    1    3.92    .   .   1    .   .   .   .   .   .   .   .   4179    1    
    71    .   1    1    11    11    GLY    H       H    1    8.41    .   .   1    .   .   .   .   .   .   .   .   4179    1    
    72    .   1    1    11    11    GLY    HA2     H    1    3.93    .   .   1    .   .   .   .   .   .   .   .   4179    1    
    73    .   1    1    11    11    GLY    HA3     H    1    3.93    .   .   1    .   .   .   .   .   .   .   .   4179    1    
    74    .   1    1    12    12    VAL    H       H    1    7.97    .   .   1    .   .   .   .   .   .   .   .   4179    1    
    75    .   1    1    12    12    VAL    HA      H    1    4.07    .   .   1    .   .   .   .   .   .   .   .   4179    1    
    76    .   1    1    12    12    VAL    HB      H    1    2.09    .   .   1    .   .   .   .   .   .   .   .   4179    1    
    77    .   1    1    12    12    VAL    HG11    H    1    0.94    .   .   1    .   .   .   .   .   .   .   .   4179    1    
    78    .   1    1    12    12    VAL    HG12    H    1    0.94    .   .   1    .   .   .   .   .   .   .   .   4179    1    
    79    .   1    1    12    12    VAL    HG13    H    1    0.94    .   .   1    .   .   .   .   .   .   .   .   4179    1    
    80    .   1    1    12    12    VAL    HG21    H    1    0.94    .   .   1    .   .   .   .   .   .   .   .   4179    1    
    81    .   1    1    12    12    VAL    HG22    H    1    0.94    .   .   1    .   .   .   .   .   .   .   .   4179    1    
    82    .   1    1    12    12    VAL    HG23    H    1    0.94    .   .   1    .   .   .   .   .   .   .   .   4179    1    
  stop_

save_