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                     18914
  _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'  .   .   .   18914    1    
    3    '2D 1H-13C HSQC'  .   .   .   18914    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     GLY    HA2     H    1     4.143     0.01    .   1    .   .   .   A    1     GLY    HA2     .   18914    1    
    2      .   1    1    1     1     GLY    HA3     H    1     3.548     0.01    .   1    .   .   .   A    1     GLY    HA3     .   18914    1    
    3      .   1    1    1     1     GLY    H       H    1     8.487     0.01    .   1    .   .   .   A    1     GLY    H1      .   18914    1    
    4      .   1    1    1     1     GLY    CA      C    13    45.271    0.01    .   1    .   .   .   A    1     GLY    CA      .   18914    1    
    5      .   1    1    2     2     VAL    H       H    1     7.724     0.01    .   1    .   .   .   A    2     VAL    H       .   18914    1    
    6      .   1    1    2     2     VAL    HA      H    1     4.240     0.01    .   1    .   .   .   A    2     VAL    HA      .   18914    1    
    7      .   1    1    2     2     VAL    HB      H    1     2.066     0.01    .   1    .   .   .   A    2     VAL    HB      .   18914    1    
    8      .   1    1    2     2     VAL    HG11    H    1     0.918     0.01    .   1    .   .   .   A    2     VAL    HG11    .   18914    1    
    9      .   1    1    2     2     VAL    HG12    H    1     0.918     0.01    .   1    .   .   .   A    2     VAL    HG12    .   18914    1    
    10     .   1    1    2     2     VAL    HG13    H    1     0.918     0.01    .   1    .   .   .   A    2     VAL    HG13    .   18914    1    
    11     .   1    1    2     2     VAL    HG21    H    1     0.918     0.01    .   1    .   .   .   A    2     VAL    HG21    .   18914    1    
    12     .   1    1    2     2     VAL    HG22    H    1     0.918     0.01    .   1    .   .   .   A    2     VAL    HG22    .   18914    1    
    13     .   1    1    2     2     VAL    HG23    H    1     0.918     0.01    .   1    .   .   .   A    2     VAL    HG23    .   18914    1    
    14     .   1    1    2     2     VAL    CA      C    13    61.651    0.01    .   1    .   .   .   A    2     VAL    CA      .   18914    1    
    15     .   1    1    2     2     VAL    CB      C    13    33.894    0.01    .   1    .   .   .   A    2     VAL    CB      .   18914    1    
    16     .   1    1    2     2     VAL    CG1     C    13    20.943    0.01    .   1    .   .   .   A    2     VAL    CG1     .   18914    1    
    17     .   1    1    2     2     VAL    CG2     C    13    20.943    0.01    .   1    .   .   .   A    2     VAL    CG2     .   18914    1    
    18     .   1    1    3     3     ABA    CA      C    13    57.680    0.01    .   1    .   .   .   A    3     ABA    CA      .   18914    1    
    19     .   1    1    3     3     ABA    CB      C    13    27.559    0.01    .   1    .   .   .   A    3     ABA    CB      .   18914    1    
    20     .   1    1    3     3     ABA    H       H    1     8.858     0.01    .   1    .   .   .   A    3     ABA    H       .   18914    1    
    21     .   1    1    3     3     ABA    HA      H    1     4.606     0.01    .   1    .   .   .   A    3     ABA    HA      .   18914    1    
    22     .   1    1    3     3     ABA    HB2     H    1     1.656     0.01    .   1    .   .   .   A    3     ABA    HB2     .   18914    1    
    23     .   1    1    3     3     ABA    HB3     H    1     1.740     0.01    .   1    .   .   .   A    3     ABA    HB3     .   18914    1    
    24     .   1    1    3     3     ABA    HG1     H    1     0.817     0.01    .   1    .   .   .   A    3     ABA    QG      .   18914    1    
    25     .   1    1    3     3     ABA    HG2     H    1     0.817     0.01    .   1    .   .   .   A    3     ABA    QG      .   18914    1    
    26     .   1    1    3     3     ABA    HG3     H    1     0.817     0.01    .   1    .   .   .   A    3     ABA    QG      .   18914    1    
    27     .   1    1    4     4     ARG    H       H    1     8.644     0.01    .   1    .   .   .   A    4     ARG    H       .   18914    1    
    28     .   1    1    4     4     ARG    HA      H    1     4.692     0.01    .   1    .   .   .   A    4     ARG    HA      .   18914    1    
    29     .   1    1    4     4     ARG    HB2     H    1     1.816     0.01    .   1    .   .   .   A    4     ARG    HB2     .   18914    1    
    30     .   1    1    4     4     ARG    HB3     H    1     1.816     0.01    .   1    .   .   .   A    4     ARG    HB3     .   18914    1    
    31     .   1    1    4     4     ARG    HG2     H    1     1.656     0.01    .   1    .   .   .   A    4     ARG    HG2     .   18914    1    
    32     .   1    1    4     4     ARG    HG3     H    1     1.596     0.01    .   1    .   .   .   A    4     ARG    HG3     .   18914    1    
    33     .   1    1    4     4     ARG    HD2     H    1     3.201     0.01    .   1    .   .   .   A    4     ARG    HD2     .   18914    1    
    34     .   1    1    4     4     ARG    HD3     H    1     3.201     0.01    .   1    .   .   .   A    4     ARG    HD3     .   18914    1    
    35     .   1    1    4     4     ARG    HE      H    1     7.192     0.01    .   1    .   .   .   A    4     ARG    HE      .   18914    1    
    36     .   1    1    4     4     ARG    CA      C    13    54.848    0.01    .   1    .   .   .   A    4     ARG    CA      .   18914    1    
    37     .   1    1    4     4     ARG    CB      C    13    32.416    0.01    .   1    .   .   .   A    4     ARG    CB      .   18914    1    
    38     .   1    1    4     4     ARG    CG      C    13    27.202    0.01    .   1    .   .   .   A    4     ARG    CG      .   18914    1    
    39     .   1    1    4     4     ARG    CD      C    13    43.140    0.01    .   1    .   .   .   A    4     ARG    CD      .   18914    1    
    40     .   1    1    5     5     CYS    H       H    1     9.053     0.01    .   1    .   .   .   A    5     CYS    H       .   18914    1    
    41     .   1    1    5     5     CYS    HA      H    1     5.506     0.01    .   1    .   .   .   A    5     CYS    HA      .   18914    1    
    42     .   1    1    5     5     CYS    HB2     H    1     2.626     0.01    .   1    .   .   .   A    5     CYS    HB2     .   18914    1    
    43     .   1    1    5     5     CYS    HB3     H    1     3.026     0.01    .   1    .   .   .   A    5     CYS    HB3     .   18914    1    
    44     .   1    1    5     5     CYS    CA      C    13    55.473    0.01    .   1    .   .   .   A    5     CYS    CA      .   18914    1    
    45     .   1    1    5     5     CYS    CB      C    13    46.967    0.01    .   1    .   .   .   A    5     CYS    CB      .   18914    1    
    46     .   1    1    6     6     VAL    H       H    1     8.656     0.01    .   1    .   .   .   A    6     VAL    H       .   18914    1    
    47     .   1    1    6     6     VAL    HA      H    1     4.350     0.01    .   1    .   .   .   A    6     VAL    HA      .   18914    1    
    48     .   1    1    6     6     VAL    HB      H    1     2.018     0.01    .   1    .   .   .   A    6     VAL    HB      .   18914    1    
    49     .   1    1    6     6     VAL    HG11    H    1     0.920     0.01    .   1    .   .   .   A    6     VAL    HG11    .   18914    1    
    50     .   1    1    6     6     VAL    HG12    H    1     0.920     0.01    .   1    .   .   .   A    6     VAL    HG12    .   18914    1    
    51     .   1    1    6     6     VAL    HG13    H    1     0.920     0.01    .   1    .   .   .   A    6     VAL    HG13    .   18914    1    
    52     .   1    1    6     6     VAL    HG21    H    1     0.920     0.01    .   1    .   .   .   A    6     VAL    HG21    .   18914    1    
    53     .   1    1    6     6     VAL    HG22    H    1     0.920     0.01    .   1    .   .   .   A    6     VAL    HG22    .   18914    1    
    54     .   1    1    6     6     VAL    HG23    H    1     0.920     0.01    .   1    .   .   .   A    6     VAL    HG23    .   18914    1    
    55     .   1    1    6     6     VAL    CA      C    13    60.916    0.01    .   1    .   .   .   A    6     VAL    CA      .   18914    1    
    56     .   1    1    6     6     VAL    CB      C    13    35.341    0.01    .   1    .   .   .   A    6     VAL    CB      .   18914    1    
    57     .   1    1    6     6     VAL    CG1     C    13    20.462    0.01    .   1    .   .   .   A    6     VAL    CG1     .   18914    1    
    58     .   1    1    6     6     VAL    CG2     C    13    20.462    0.01    .   1    .   .   .   A    6     VAL    CG2     .   18914    1    
    59     .   1    1    7     7     ABA    CA      C    13    56.955    0.01    .   1    .   .   .   A    7     ABA    CA      .   18914    1    
    60     .   1    1    7     7     ABA    CB      C    13    27.724    0.01    .   1    .   .   .   A    7     ABA    CB      .   18914    1    
    61     .   1    1    7     7     ABA    H       H    1     8.786     0.01    .   1    .   .   .   A    7     ABA    H       .   18914    1    
    62     .   1    1    7     7     ABA    HA      H    1     4.809     0.01    .   1    .   .   .   A    7     ABA    HA      .   18914    1    
    63     .   1    1    7     7     ABA    HB2     H    1     1.569     0.01    .   1    .   .   .   A    7     ABA    HB2     .   18914    1    
    64     .   1    1    7     7     ABA    HB3     H    1     1.681     0.01    .   1    .   .   .   A    7     ABA    HB3     .   18914    1    
    65     .   1    1    7     7     ABA    HG1     H    1     0.705     0.01    .   1    .   .   .   A    7     ABA    QG      .   18914    1    
    66     .   1    1    7     7     ABA    HG2     H    1     0.705     0.01    .   1    .   .   .   A    7     ABA    QG      .   18914    1    
    67     .   1    1    7     7     ABA    HG3     H    1     0.705     0.01    .   1    .   .   .   A    7     ABA    QG      .   18914    1    
    68     .   1    1    8     8     ARG    H       H    1     8.485     0.01    .   1    .   .   .   A    8     ARG    H       .   18914    1    
    69     .   1    1    8     8     ARG    HA      H    1     4.590     0.01    .   1    .   .   .   A    8     ARG    HA      .   18914    1    
    70     .   1    1    8     8     ARG    HB2     H    1     1.764     0.01    .   1    .   .   .   A    8     ARG    HB2     .   18914    1    
    71     .   1    1    8     8     ARG    HB3     H    1     1.764     0.01    .   1    .   .   .   A    8     ARG    HB3     .   18914    1    
    72     .   1    1    8     8     ARG    HG2     H    1     1.527     0.01    .   1    .   .   .   A    8     ARG    HG2     .   18914    1    
    73     .   1    1    8     8     ARG    HG3     H    1     1.649     0.01    .   1    .   .   .   A    8     ARG    HG3     .   18914    1    
    74     .   1    1    8     8     ARG    HD2     H    1     3.221     0.01    .   1    .   .   .   A    8     ARG    HD2     .   18914    1    
    75     .   1    1    8     8     ARG    HD3     H    1     3.221     0.01    .   1    .   .   .   A    8     ARG    HD3     .   18914    1    
    76     .   1    1    8     8     ARG    HE      H    1     7.240     0.01    .   1    .   .   .   A    8     ARG    HE      .   18914    1    
    77     .   1    1    8     8     ARG    CA      C    13    55.142    0.01    .   1    .   .   .   A    8     ARG    CA      .   18914    1    
    78     .   1    1    8     8     ARG    CB      C    13    32.503    0.01    .   1    .   .   .   A    8     ARG    CB      .   18914    1    
    79     .   1    1    8     8     ARG    CG      C    13    27.318    0.01    .   1    .   .   .   A    8     ARG    CG      .   18914    1    
    80     .   1    1    8     8     ARG    CD      C    13    43.215    0.01    .   1    .   .   .   A    8     ARG    CD      .   18914    1    
    81     .   1    1    9     9     ARG    H       H    1     9.525     0.01    .   1    .   .   .   A    9     ARG    H       .   18914    1    
    82     .   1    1    9     9     ARG    HA      H    1     3.928     0.01    .   1    .   .   .   A    9     ARG    HA      .   18914    1    
    83     .   1    1    9     9     ARG    HB2     H    1     1.829     0.01    .   1    .   .   .   A    9     ARG    HB2     .   18914    1    
    84     .   1    1    9     9     ARG    HB3     H    1     2.044     0.01    .   1    .   .   .   A    9     ARG    HB3     .   18914    1    
    85     .   1    1    9     9     ARG    HG2     H    1     1.627     0.01    .   1    .   .   .   A    9     ARG    HG2     .   18914    1    
    86     .   1    1    9     9     ARG    HG3     H    1     1.627     0.01    .   1    .   .   .   A    9     ARG    HG3     .   18914    1    
    87     .   1    1    9     9     ARG    HD2     H    1     3.222     0.01    .   1    .   .   .   A    9     ARG    HD2     .   18914    1    
    88     .   1    1    9     9     ARG    HD3     H    1     3.222     0.01    .   1    .   .   .   A    9     ARG    HD3     .   18914    1    
    89     .   1    1    9     9     ARG    HE      H    1     7.224     0.01    .   1    .   .   .   A    9     ARG    HE      .   18914    1    
    90     .   1    1    9     9     ARG    CA      C    13    56.907    0.01    .   1    .   .   .   A    9     ARG    CA      .   18914    1    
    91     .   1    1    9     9     ARG    CB      C    13    28.198    0.01    .   1    .   .   .   A    9     ARG    CB      .   18914    1    
    92     .   1    1    9     9     ARG    CD      C    13    43.350    0.01    .   1    .   .   .   A    9     ARG    CD      .   18914    1    
    93     .   1    1    10    10    GLY    H       H    1     8.487     0.01    .   1    .   .   .   A    10    GLY    H       .   18914    1    
    94     .   1    1    10    10    GLY    HA2     H    1     4.143     0.01    .   1    .   .   .   A    10    GLY    HA2     .   18914    1    
    95     .   1    1    10    10    GLY    HA3     H    1     3.548     0.01    .   1    .   .   .   A    10    GLY    HA3     .   18914    1    
    96     .   1    1    10    10    GLY    CA      C    13    45.271    0.01    .   1    .   .   .   A    10    GLY    CA      .   18914    1    
    97     .   1    1    11    11    VAL    H       H    1     7.724     0.01    .   1    .   .   .   A    11    VAL    H       .   18914    1    
    98     .   1    1    11    11    VAL    HA      H    1     4.240     0.01    .   1    .   .   .   A    11    VAL    HA      .   18914    1    
    99     .   1    1    11    11    VAL    HB      H    1     2.066     0.01    .   1    .   .   .   A    11    VAL    HB      .   18914    1    
    100    .   1    1    11    11    VAL    HG11    H    1     0.918     0.01    .   1    .   .   .   A    11    VAL    HG11    .   18914    1    
    101    .   1    1    11    11    VAL    HG12    H    1     0.918     0.01    .   1    .   .   .   A    11    VAL    HG12    .   18914    1    
    102    .   1    1    11    11    VAL    HG13    H    1     0.918     0.01    .   1    .   .   .   A    11    VAL    HG13    .   18914    1    
    103    .   1    1    11    11    VAL    HG21    H    1     0.918     0.01    .   1    .   .   .   A    11    VAL    HG21    .   18914    1    
    104    .   1    1    11    11    VAL    HG22    H    1     0.918     0.01    .   1    .   .   .   A    11    VAL    HG22    .   18914    1    
    105    .   1    1    11    11    VAL    HG23    H    1     0.918     0.01    .   1    .   .   .   A    11    VAL    HG23    .   18914    1    
    106    .   1    1    11    11    VAL    CA      C    13    61.651    0.01    .   1    .   .   .   A    11    VAL    CA      .   18914    1    
    107    .   1    1    11    11    VAL    CB      C    13    33.894    0.01    .   1    .   .   .   A    11    VAL    CB      .   18914    1    
    108    .   1    1    11    11    VAL    CG1     C    13    20.943    0.01    .   1    .   .   .   A    11    VAL    CG1     .   18914    1    
    109    .   1    1    11    11    VAL    CG2     C    13    20.943    0.01    .   1    .   .   .   A    11    VAL    CG2     .   18914    1    
    110    .   1    1    12    12    ABA    CA      C    13    57.680    0.01    .   1    .   .   .   A    12    ABA    CA      .   18914    1    
    111    .   1    1    12    12    ABA    CB      C    13    27.559    0.01    .   1    .   .   .   A    12    ABA    CB      .   18914    1    
    112    .   1    1    12    12    ABA    H       H    1     8.858     0.01    .   1    .   .   .   A    12    ABA    H       .   18914    1    
    113    .   1    1    12    12    ABA    HA      H    1     4.606     0.01    .   1    .   .   .   A    12    ABA    HA      .   18914    1    
    114    .   1    1    12    12    ABA    HB2     H    1     1.656     0.01    .   1    .   .   .   A    12    ABA    HB2     .   18914    1    
    115    .   1    1    12    12    ABA    HB3     H    1     1.740     0.01    .   1    .   .   .   A    12    ABA    HB3     .   18914    1    
    116    .   1    1    12    12    ABA    HG1     H    1     0.817     0.01    .   1    .   .   .   A    12    ABA    QG      .   18914    1    
    117    .   1    1    12    12    ABA    HG2     H    1     0.817     0.01    .   1    .   .   .   A    12    ABA    QG      .   18914    1    
    118    .   1    1    12    12    ABA    HG3     H    1     0.817     0.01    .   1    .   .   .   A    12    ABA    QG      .   18914    1    
    119    .   1    1    13    13    ARG    H       H    1     8.644     0.01    .   1    .   .   .   A    13    ARG    H       .   18914    1    
    120    .   1    1    13    13    ARG    HA      H    1     4.692     0.01    .   1    .   .   .   A    13    ARG    HA      .   18914    1    
    121    .   1    1    13    13    ARG    HB2     H    1     1.816     0.01    .   1    .   .   .   A    13    ARG    HB2     .   18914    1    
    122    .   1    1    13    13    ARG    HB3     H    1     1.816     0.01    .   1    .   .   .   A    13    ARG    HB3     .   18914    1    
    123    .   1    1    13    13    ARG    HG2     H    1     1.656     0.01    .   1    .   .   .   A    13    ARG    HG2     .   18914    1    
    124    .   1    1    13    13    ARG    HG3     H    1     1.596     0.01    .   1    .   .   .   A    13    ARG    HG3     .   18914    1    
    125    .   1    1    13    13    ARG    HD2     H    1     3.201     0.01    .   1    .   .   .   A    13    ARG    HD2     .   18914    1    
    126    .   1    1    13    13    ARG    HD3     H    1     3.201     0.01    .   1    .   .   .   A    13    ARG    HD3     .   18914    1    
    127    .   1    1    13    13    ARG    HE      H    1     7.192     0.01    .   1    .   .   .   A    13    ARG    HE      .   18914    1    
    128    .   1    1    13    13    ARG    CA      C    13    54.848    0.01    .   1    .   .   .   A    13    ARG    CA      .   18914    1    
    129    .   1    1    13    13    ARG    CB      C    13    32.416    0.01    .   1    .   .   .   A    13    ARG    CB      .   18914    1    
    130    .   1    1    13    13    ARG    CG      C    13    27.202    0.01    .   1    .   .   .   A    13    ARG    CG      .   18914    1    
    131    .   1    1    13    13    ARG    CD      C    13    43.140    0.01    .   1    .   .   .   A    13    ARG    CD      .   18914    1    
    132    .   1    1    14    14    CYS    H       H    1     9.053     0.01    .   1    .   .   .   A    14    CYS    H       .   18914    1    
    133    .   1    1    14    14    CYS    HA      H    1     5.506     0.01    .   1    .   .   .   A    14    CYS    HA      .   18914    1    
    134    .   1    1    14    14    CYS    HB2     H    1     2.626     0.01    .   1    .   .   .   A    14    CYS    HB2     .   18914    1    
    135    .   1    1    14    14    CYS    HB3     H    1     3.026     0.01    .   1    .   .   .   A    14    CYS    HB3     .   18914    1    
    136    .   1    1    14    14    CYS    CA      C    13    55.473    0.01    .   1    .   .   .   A    14    CYS    CA      .   18914    1    
    137    .   1    1    14    14    CYS    CB      C    13    46.967    0.01    .   1    .   .   .   A    14    CYS    CB      .   18914    1    
    138    .   1    1    15    15    VAL    H       H    1     8.656     0.01    .   1    .   .   .   A    15    VAL    H       .   18914    1    
    139    .   1    1    15    15    VAL    HA      H    1     4.350     0.01    .   1    .   .   .   A    15    VAL    HA      .   18914    1    
    140    .   1    1    15    15    VAL    HB      H    1     2.018     0.01    .   1    .   .   .   A    15    VAL    HB      .   18914    1    
    141    .   1    1    15    15    VAL    HG11    H    1     0.920     0.01    .   1    .   .   .   A    15    VAL    HG11    .   18914    1    
    142    .   1    1    15    15    VAL    HG12    H    1     0.920     0.01    .   1    .   .   .   A    15    VAL    HG12    .   18914    1    
    143    .   1    1    15    15    VAL    HG13    H    1     0.920     0.01    .   1    .   .   .   A    15    VAL    HG13    .   18914    1    
    144    .   1    1    15    15    VAL    HG21    H    1     0.920     0.01    .   1    .   .   .   A    15    VAL    HG21    .   18914    1    
    145    .   1    1    15    15    VAL    HG22    H    1     0.920     0.01    .   1    .   .   .   A    15    VAL    HG22    .   18914    1    
    146    .   1    1    15    15    VAL    HG23    H    1     0.920     0.01    .   1    .   .   .   A    15    VAL    HG23    .   18914    1    
    147    .   1    1    15    15    VAL    CA      C    13    60.916    0.01    .   1    .   .   .   A    15    VAL    CA      .   18914    1    
    148    .   1    1    15    15    VAL    CB      C    13    35.341    0.01    .   1    .   .   .   A    15    VAL    CB      .   18914    1    
    149    .   1    1    15    15    VAL    CG1     C    13    20.462    0.01    .   1    .   .   .   A    15    VAL    CG1     .   18914    1    
    150    .   1    1    15    15    VAL    CG2     C    13    20.462    0.01    .   1    .   .   .   A    15    VAL    CG2     .   18914    1    
    151    .   1    1    16    16    ABA    CA      C    13    56.955    0.01    .   1    .   .   .   A    16    ABA    CA      .   18914    1    
    152    .   1    1    16    16    ABA    CB      C    13    27.724    0.01    .   1    .   .   .   A    16    ABA    CB      .   18914    1    
    153    .   1    1    16    16    ABA    H       H    1     8.786     0.01    .   1    .   .   .   A    16    ABA    H       .   18914    1    
    154    .   1    1    16    16    ABA    HA      H    1     4.809     0.01    .   1    .   .   .   A    16    ABA    HA      .   18914    1    
    155    .   1    1    16    16    ABA    HB2     H    1     1.569     0.01    .   1    .   .   .   A    16    ABA    HB2     .   18914    1    
    156    .   1    1    16    16    ABA    HB3     H    1     1.681     0.01    .   1    .   .   .   A    16    ABA    HB3     .   18914    1    
    157    .   1    1    16    16    ABA    HG1     H    1     0.705     0.01    .   1    .   .   .   A    16    ABA    QG      .   18914    1    
    158    .   1    1    16    16    ABA    HG2     H    1     0.705     0.01    .   1    .   .   .   A    16    ABA    QG      .   18914    1    
    159    .   1    1    16    16    ABA    HG3     H    1     0.705     0.01    .   1    .   .   .   A    16    ABA    QG      .   18914    1    
    160    .   1    1    17    17    ARG    H       H    1     8.485     0.01    .   1    .   .   .   A    17    ARG    H       .   18914    1    
    161    .   1    1    17    17    ARG    HA      H    1     4.590     0.01    .   1    .   .   .   A    17    ARG    HA      .   18914    1    
    162    .   1    1    17    17    ARG    HB2     H    1     1.764     0.01    .   1    .   .   .   A    17    ARG    HB2     .   18914    1    
    163    .   1    1    17    17    ARG    HB3     H    1     1.764     0.01    .   1    .   .   .   A    17    ARG    HB3     .   18914    1    
    164    .   1    1    17    17    ARG    HG2     H    1     1.527     0.01    .   1    .   .   .   A    17    ARG    HG2     .   18914    1    
    165    .   1    1    17    17    ARG    HG3     H    1     1.649     0.01    .   1    .   .   .   A    17    ARG    HG3     .   18914    1    
    166    .   1    1    17    17    ARG    HD2     H    1     3.221     0.01    .   1    .   .   .   A    17    ARG    HD2     .   18914    1    
    167    .   1    1    17    17    ARG    HD3     H    1     3.221     0.01    .   1    .   .   .   A    17    ARG    HD3     .   18914    1    
    168    .   1    1    17    17    ARG    HE      H    1     7.240     0.01    .   1    .   .   .   A    17    ARG    HE      .   18914    1    
    169    .   1    1    17    17    ARG    CA      C    13    55.142    0.01    .   1    .   .   .   A    17    ARG    CA      .   18914    1    
    170    .   1    1    17    17    ARG    CB      C    13    32.503    0.01    .   1    .   .   .   A    17    ARG    CB      .   18914    1    
    171    .   1    1    17    17    ARG    CG      C    13    27.318    0.01    .   1    .   .   .   A    17    ARG    CG      .   18914    1    
    172    .   1    1    17    17    ARG    CD      C    13    43.215    0.01    .   1    .   .   .   A    17    ARG    CD      .   18914    1    
    173    .   1    1    18    18    ARG    H       H    1     9.525     0.01    .   1    .   .   .   A    18    ARG    H       .   18914    1    
    174    .   1    1    18    18    ARG    HA      H    1     3.928     0.01    .   1    .   .   .   A    18    ARG    HA      .   18914    1    
    175    .   1    1    18    18    ARG    HB2     H    1     1.829     0.01    .   1    .   .   .   A    18    ARG    HB2     .   18914    1    
    176    .   1    1    18    18    ARG    HB3     H    1     2.044     0.01    .   1    .   .   .   A    18    ARG    HB3     .   18914    1    
    177    .   1    1    18    18    ARG    HG2     H    1     1.627     0.01    .   1    .   .   .   A    18    ARG    HG2     .   18914    1    
    178    .   1    1    18    18    ARG    HG3     H    1     1.627     0.01    .   1    .   .   .   A    18    ARG    HG3     .   18914    1    
    179    .   1    1    18    18    ARG    HD2     H    1     3.222     0.01    .   1    .   .   .   A    18    ARG    HD2     .   18914    1    
    180    .   1    1    18    18    ARG    HD3     H    1     3.222     0.01    .   1    .   .   .   A    18    ARG    HD3     .   18914    1    
    181    .   1    1    18    18    ARG    HE      H    1     7.224     0.01    .   1    .   .   .   A    18    ARG    HE      .   18914    1    
    182    .   1    1    18    18    ARG    CA      C    13    56.907    0.01    .   1    .   .   .   A    18    ARG    CA      .   18914    1    
    183    .   1    1    18    18    ARG    CB      C    13    28.198    0.01    .   1    .   .   .   A    18    ARG    CB      .   18914    1    
    184    .   1    1    18    18    ARG    CD      C    13    43.350    0.01    .   1    .   .   .   A    18    ARG    CD      .   18914    1    
  stop_

save_