Content for NMR-STAR saveframe, "chemical_shift_set_3"

    save_chemical_shift_set_3
  _Assigned_chem_shift_list.Sf_category                  assigned_chemical_shifts
  _Assigned_chem_shift_list.Sf_framecode                 chemical_shift_set_3
  _Assigned_chem_shift_list.Entry_ID                     6559
  _Assigned_chem_shift_list.ID                           3
  _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   .   6559    3    
    .   .   2    $sample_2   .   6559    3    
  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     3.893      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    2      .   1    1    1     1     GLY    CA      C    13    43.374     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    3      .   1    1    2     2     SER    HA      H    1     4.457      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    4      .   1    1    2     2     SER    HB2     H    1     3.849      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    5      .   1    1    2     2     SER    CA      C    13    58.331     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    6      .   1    1    2     2     SER    CB      C    13    64.103     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    7      .   1    1    3     3     ARG    HA      H    1     4.309      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    8      .   1    1    3     3     ARG    HB2     H    1     1.832      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    9      .   1    1    3     3     ARG    HG2     H    1     1.631      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    10     .   1    1    3     3     ARG    HD2     H    1     3.191      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    11     .   1    1    3     3     ARG    CA      C    13    56.392     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    12     .   1    1    3     3     ARG    CB      C    13    30.802     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    13     .   1    1    3     3     ARG    CG      C    13    27.291     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    14     .   1    1    3     3     ARG    CD      C    13    43.463     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    15     .   1    1    4     4     ARG    HA      H    1     4.316      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    16     .   1    1    4     4     ARG    HB2     H    1     1.827      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    17     .   1    1    4     4     ARG    HG2     H    1     1.633      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    18     .   1    1    4     4     ARG    HD2     H    1     3.191      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    19     .   1    1    4     4     ARG    CA      C    13    56.458     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    20     .   1    1    4     4     ARG    CB      C    13    30.813     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    21     .   1    1    4     4     ARG    CG      C    13    27.296     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    22     .   1    1    4     4     ARG    CD      C    13    43.487     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    23     .   1    1    5     5     ALA    HA      H    1     4.310      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    24     .   1    1    5     5     ALA    HB1     H    1     1.388      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    25     .   1    1    5     5     ALA    HB2     H    1     1.388      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    26     .   1    1    5     5     ALA    HB3     H    1     1.388      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    27     .   1    1    5     5     ALA    CA      C    13    52.873     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    28     .   1    1    5     5     ALA    CB      C    13    19.334     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    29     .   1    1    6     6     SER    HA      H    1     4.453      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    30     .   1    1    6     6     SER    HB2     H    1     3.848      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    31     .   1    1    6     6     SER    CA      C    13    58.354     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    32     .   1    1    6     6     SER    CB      C    13    64.131     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    33     .   1    1    7     7     VAL    HA      H    1     4.157      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    34     .   1    1    7     7     VAL    HB      H    1     2.067      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    35     .   1    1    7     7     VAL    HG11    H    1     0.944      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    36     .   1    1    7     7     VAL    HG12    H    1     0.944      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    37     .   1    1    7     7     VAL    HG13    H    1     0.944      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    38     .   1    1    7     7     VAL    CA      C    13    62.755     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    39     .   1    1    7     7     VAL    CB      C    13    32.617     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    40     .   1    1    7     7     VAL    CG1     C    13    20.972     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    41     .   1    1    8     8     GLY    HA2     H    1     3.982      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    42     .   1    1    8     8     GLY    CA      C    13    45.407     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    43     .   1    1    9     9     SER    HA      H    1     4.504      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    44     .   1    1    9     9     SER    HB2     H    1     3.854      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    45     .   1    1    9     9     SER    CA      C    13    58.381     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    46     .   1    1    9     9     SER    CB      C    13    64.131     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    47     .   1    1    10    10    ALA    HA      H    1     4.314      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    48     .   1    1    10    10    ALA    HB1     H    1     1.387      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    49     .   1    1    10    10    ALA    HB2     H    1     1.387      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    50     .   1    1    10    10    ALA    HB3     H    1     1.387      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    51     .   1    1    10    10    ALA    CA      C    13    52.863     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    52     .   1    1    10    10    ALA    CB      C    13    19.349     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    53     .   1    1    11    11    LYS    HA      H    1     4.310      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    54     .   1    1    11    11    LYS    HB2     H    1     1.779      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    55     .   1    1    11    11    LYS    HG2     H    1     1.447      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    56     .   1    1    11    11    LYS    HD2     H    1     1.674      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    57     .   1    1    11    11    LYS    CA      C    13    56.413     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    58     .   1    1    11    11    LYS    CB      C    13    33.079     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    59     .   1    1    11    11    LYS    CG      C    13    24.950     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    60     .   1    1    11    11    LYS    CD      C    13    29.216     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    61     .   1    1    12    12    SER    HA      H    1     4.516      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    62     .   1    1    12    12    SER    HB2     H    1     4.011      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    63     .   1    1    12    12    SER    HB3     H    1     3.848      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    64     .   1    1    12    12    SER    CA      C    13    58.034     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    65     .   1    1    12    12    SER    CB      C    13    64.084     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    66     .   1    1    13    13    MET    HA      H    1     4.426      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    67     .   1    1    13    13    MET    HB2     H    1     1.947      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    68     .   1    1    13    13    MET    HB3     H    1     1.821      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    69     .   1    1    13    13    MET    HG2     H    1     2.478      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    70     .   1    1    13    13    MET    HG3     H    1     2.335      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    71     .   1    1    13    13    MET    CA      C    13    55.405     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    72     .   1    1    13    13    MET    CB      C    13    32.160     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    73     .   1    1    13    13    MET    CG      C    13    32.307     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    74     .   1    1    14    14    TRP    HA      H    1     5.234      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    75     .   1    1    14    14    TRP    HB2     H    1     3.173      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    76     .   1    1    14    14    TRP    HB3     H    1     3.068      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    77     .   1    1    14    14    TRP    HD1     H    1     7.334      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    78     .   1    1    14    14    TRP    HE3     H    1     7.395      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    79     .   1    1    14    14    TRP    HZ2     H    1     7.505      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    80     .   1    1    14    14    TRP    HZ3     H    1     7.003      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    81     .   1    1    14    14    TRP    HH2     H    1     7.056      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    82     .   1    1    14    14    TRP    CA      C    13    56.865     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    83     .   1    1    14    14    TRP    CB      C    13    31.309     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    84     .   1    1    14    14    TRP    CD1     C    13    128.467    0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    85     .   1    1    14    14    TRP    CE3     C    13    120.693    0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    86     .   1    1    14    14    TRP    CZ2     C    13    81.812     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    87     .   1    1    14    14    TRP    CZ3     C    13    123.741    0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    88     .   1    1    14    14    TRP    CH2     C    13    91.616     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    89     .   1    1    15    15    THR    HA      H    1     4.843      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    90     .   1    1    15    15    THR    HB      H    1     4.244      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    91     .   1    1    15    15    THR    HG21    H    1     1.320      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    92     .   1    1    15    15    THR    HG22    H    1     1.320      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    93     .   1    1    15    15    THR    HG23    H    1     1.320      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    94     .   1    1    15    15    THR    CA      C    13    59.836     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    95     .   1    1    15    15    THR    CB      C    13    72.397     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    96     .   1    1    15    15    THR    CG2     C    13    22.439     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    97     .   1    1    16    16    GLU    HA      H    1     4.595      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    98     .   1    1    16    16    GLU    HB2     H    1     1.781      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    99     .   1    1    16    16    GLU    HG2     H    1     2.102      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    100    .   1    1    16    16    GLU    CA      C    13    55.385     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    101    .   1    1    16    16    GLU    CB      C    13    30.014     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    102    .   1    1    16    16    GLU    CG      C    13    33.181     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    103    .   1    1    17    17    HIS    HA      H    1     4.447      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    104    .   1    1    17    17    HIS    HB2     H    1     2.656      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    105    .   1    1    17    17    HIS    HB3     H    1     1.182      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    106    .   1    1    17    17    HIS    HD2     H    1     6.675      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    107    .   1    1    17    17    HIS    HE1     H    1     8.623      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    108    .   1    1    17    17    HIS    CA      C    13    53.946     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    109    .   1    1    17    17    HIS    CB      C    13    32.350     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    110    .   1    1    17    17    HIS    CD2     C    13    119.512    0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    111    .   1    1    17    17    HIS    CE1     C    13    137.228    0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    112    .   1    1    18    18    LYS    HA      H    1     5.153      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    113    .   1    1    18    18    LYS    HB2     H    1     1.693      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    114    .   1    1    18    18    LYS    HG2     H    1     1.394      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    115    .   1    1    18    18    LYS    HD2     H    1     1.610      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    116    .   1    1    18    18    LYS    HE2     H    1     2.927      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    117    .   1    1    18    18    LYS    CA      C    13    54.833     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    118    .   1    1    18    18    LYS    CB      C    13    34.975     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    119    .   1    1    18    18    LYS    CG      C    13    24.856     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    120    .   1    1    18    18    LYS    CD      C    13    29.244     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    121    .   1    1    18    18    LYS    CE      C    13    42.155     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    122    .   1    1    19    19    SER    HB2     H    1     4.593      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    123    .   1    1    19    19    SER    HB3     H    1     4.168      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    124    .   1    1    19    19    SER    CB      C    13    63.186     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    125    .   1    1    20    20    PRO    HA      H    1     4.428      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    126    .   1    1    20    20    PRO    HB2     H    1     2.438      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    127    .   1    1    20    20    PRO    HG2     H    1     2.078      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    128    .   1    1    20    20    PRO    HD2     H    1     4.025      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    129    .   1    1    20    20    PRO    HD3     H    1     3.930      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    130    .   1    1    20    20    PRO    CA      C    13    66.096     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    131    .   1    1    20    20    PRO    CB      C    13    32.023     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    132    .   1    1    20    20    PRO    CG      C    13    28.073     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    133    .   1    1    20    20    PRO    CD      C    13    51.240     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    134    .   1    1    21    21    ASP    HB2     H    1     3.072      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    135    .   1    1    21    21    ASP    HB3     H    1     2.817      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    136    .   1    1    21    21    ASP    CB      C    13    38.856     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    137    .   1    1    22    22    GLY    HA2     H    1     4.332      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    138    .   1    1    22    22    GLY    HA3     H    1     3.624      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    139    .   1    1    22    22    GLY    CA      C    13    45.703     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    140    .   1    1    23    23    ARG    HA      H    1     4.503      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    141    .   1    1    23    23    ARG    HB2     H    1     1.935      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    142    .   1    1    23    23    ARG    HB3     H    1     1.850      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    143    .   1    1    23    23    ARG    HG2     H    1     1.627      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    144    .   1    1    23    23    ARG    HD2     H    1     2.528      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    145    .   1    1    23    23    ARG    CA      C    13    56.242     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    146    .   1    1    23    23    ARG    CB      C    13    29.534     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    147    .   1    1    23    23    ARG    CG      C    13    27.319     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    148    .   1    1    23    23    ARG    CD      C    13    43.517     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    149    .   1    1    24    24    THR    HA      H    1     4.934      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    150    .   1    1    24    24    THR    HB      H    1     4.031      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    151    .   1    1    24    24    THR    HG21    H    1     0.913      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    152    .   1    1    24    24    THR    HG22    H    1     0.913      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    153    .   1    1    24    24    THR    HG23    H    1     0.913      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    154    .   1    1    24    24    THR    CA      C    13    63.587     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    155    .   1    1    24    24    THR    CB      C    13    70.266     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    156    .   1    1    24    24    THR    CG2     C    13    22.455     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    157    .   1    1    25    25    TYR    HA      H    1     4.987      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    158    .   1    1    25    25    TYR    HB2     H    1     2.699      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    159    .   1    1    25    25    TYR    HB3     H    1     2.385      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    160    .   1    1    25    25    TYR    HD1     H    1     6.841      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    161    .   1    1    25    25    TYR    HE1     H    1     6.245      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    162    .   1    1    25    25    TYR    CA      C    13    55.558     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    163    .   1    1    25    25    TYR    CB      C    13    40.415     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    164    .   1    1    25    25    TYR    CD1     C    13    133.906    0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    165    .   1    1    25    25    TYR    CE1     C    13    118.222    0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    166    .   1    1    26    26    TYR    HA      H    1     5.376      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    167    .   1    1    26    26    TYR    HB2     H    1     2.889      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    168    .   1    1    26    26    TYR    HB3     H    1     2.716      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    169    .   1    1    26    26    TYR    HD1     H    1     6.837      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    170    .   1    1    26    26    TYR    HE1     H    1     6.688      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    171    .   1    1    26    26    TYR    CA      C    13    56.773     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    172    .   1    1    26    26    TYR    CB      C    13    41.438     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    173    .   1    1    26    26    TYR    CD1     C    13    133.928    0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    174    .   1    1    26    26    TYR    CE1     C    13    117.671    0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    175    .   1    1    27    27    TYR    HA      H    1     5.724      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    176    .   1    1    27    27    TYR    HB2     H    1     2.694      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    177    .   1    1    27    27    TYR    HD1     H    1     6.979      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    178    .   1    1    27    27    TYR    HE1     H    1     6.581      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    179    .   1    1    27    27    TYR    CA      C    13    56.191     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    180    .   1    1    27    27    TYR    CB      C    13    43.329     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    181    .   1    1    27    27    TYR    CD1     C    13    133.642    0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    182    .   1    1    27    27    TYR    CE1     C    13    117.888    0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    183    .   1    1    28    28    ASN    HA      H    1     4.442      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    184    .   1    1    28    28    ASN    HB2     H    1     2.300      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    185    .   1    1    28    28    ASN    HB3     H    1     0.035      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    186    .   1    1    28    28    ASN    CA      C    13    51.575     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    187    .   1    1    28    28    ASN    CB      C    13    38.310     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    188    .   1    1    29    29    THR    HA      H    1     3.670      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    189    .   1    1    29    29    THR    HB      H    1     4.275      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    190    .   1    1    29    29    THR    HG21    H    1     1.383      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    191    .   1    1    29    29    THR    HG22    H    1     1.383      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    192    .   1    1    29    29    THR    HG23    H    1     1.383      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    193    .   1    1    29    29    THR    CA      C    13    64.379     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    194    .   1    1    29    29    THR    CB      C    13    69.058     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    195    .   1    1    29    29    THR    CG2     C    13    22.435     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    196    .   1    1    30    30    GLU    HA      H    1     4.293      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    197    .   1    1    30    30    GLU    HB2     H    1     2.070      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    198    .   1    1    30    30    GLU    HG2     H    1     2.301      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    199    .   1    1    30    30    GLU    CA      C    13    57.851     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    200    .   1    1    30    30    GLU    CB      C    13    28.945     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    201    .   1    1    30    30    GLU    CG      C    13    33.302     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    202    .   1    1    31    31    THR    HA      H    1     4.088      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    203    .   1    1    31    31    THR    HB      H    1     4.249      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    204    .   1    1    31    31    THR    HG21    H    1     0.942      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    205    .   1    1    31    31    THR    HG22    H    1     0.942      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    206    .   1    1    31    31    THR    HG23    H    1     0.942      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    207    .   1    1    31    31    THR    CA      C    13    61.838     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    208    .   1    1    31    31    THR    CB      C    13    70.238     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    209    .   1    1    31    31    THR    CG2     C    13    21.176     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    210    .   1    1    32    32    LYS    HA      H    1     3.630      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    211    .   1    1    32    32    LYS    HB2     H    1     2.101      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    212    .   1    1    32    32    LYS    HB3     H    1     2.050      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    213    .   1    1    32    32    LYS    HG2     H    1     1.192      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    214    .   1    1    32    32    LYS    HD2     H    1     1.610      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    215    .   1    1    32    32    LYS    HE2     H    1     2.966      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    216    .   1    1    32    32    LYS    CA      C    13    57.506     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    217    .   1    1    32    32    LYS    CB      C    13    28.632     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    218    .   1    1    32    32    LYS    CG      C    13    25.261     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    219    .   1    1    32    32    LYS    CD      C    13    29.123     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    220    .   1    1    32    32    LYS    CE      C    13    42.324     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    221    .   1    1    33    33    GLN    HA      H    1     4.450      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    222    .   1    1    33    33    GLN    HB2     H    1     2.030      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    223    .   1    1    33    33    GLN    HB3     H    1     1.730      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    224    .   1    1    33    33    GLN    HG2     H    1     2.292      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    225    .   1    1    33    33    GLN    CA      C    13    55.000     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    226    .   1    1    33    33    GLN    CB      C    13    31.566     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    227    .   1    1    33    33    GLN    CG      C    13    33.690     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    228    .   1    1    34    34    SER    HA      H    1     6.105      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    229    .   1    1    34    34    SER    HB2     H    1     3.652      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    230    .   1    1    34    34    SER    HB3     H    1     3.578      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    231    .   1    1    34    34    SER    CA      C    13    56.796     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    232    .   1    1    34    34    SER    CB      C    13    66.351     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    233    .   1    1    35    35    THR    HB      H    1     4.216      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    234    .   1    1    35    35    THR    HG21    H    1     1.194      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    235    .   1    1    35    35    THR    HG22    H    1     1.194      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    236    .   1    1    35    35    THR    HG23    H    1     1.194      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    237    .   1    1    35    35    THR    CB      C    13    69.862     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    238    .   1    1    35    35    THR    CG2     C    13    20.559     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    239    .   1    1    36    36    TRP    HA      H    1     5.143      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    240    .   1    1    36    36    TRP    HB2     H    1     3.671      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    241    .   1    1    36    36    TRP    HB3     H    1     3.173      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    242    .   1    1    36    36    TRP    HD1     H    1     7.361      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    243    .   1    1    36    36    TRP    HE3     H    1     8.134      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    244    .   1    1    36    36    TRP    HZ2     H    1     7.347      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    245    .   1    1    36    36    TRP    HZ3     H    1     6.897      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    246    .   1    1    36    36    TRP    HH2     H    1     7.077      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    247    .   1    1    36    36    TRP    CA      C    13    58.162     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    248    .   1    1    36    36    TRP    CB      C    13    31.024     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    249    .   1    1    36    36    TRP    CD1     C    13    128.289    0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    250    .   1    1    36    36    TRP    CE3     C    13    121.995    0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    251    .   1    1    36    36    TRP    CZ2     C    13    114.894    0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    252    .   1    1    36    36    TRP    CZ3     C    13    122.596    0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    253    .   1    1    36    36    TRP    CH2     C    13    124.559    0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    254    .   1    1    37    37    GLU    HA      H    1     4.447      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    255    .   1    1    37    37    GLU    HB2     H    1     1.855      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    256    .   1    1    37    37    GLU    HG2     H    1     2.382      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    257    .   1    1    37    37    GLU    CA      C    13    54.517     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    258    .   1    1    37    37    GLU    CB      C    13    29.420     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    259    .   1    1    37    37    GLU    CG      C    13    33.071     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    260    .   1    1    38    38    LYS    HA      H    1     2.914      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    261    .   1    1    38    38    LYS    HB2     H    1     1.356      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    262    .   1    1    38    38    LYS    HB3     H    1     1.271      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    263    .   1    1    38    38    LYS    HG2     H    1     1.019      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    264    .   1    1    38    38    LYS    HG3     H    1     0.822      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    265    .   1    1    38    38    LYS    CA      C    13    54.600     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    266    .   1    1    38    38    LYS    CB      C    13    32.454     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    267    .   1    1    38    38    LYS    CG      C    13    24.062     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    268    .   1    1    39    39    PRO    HA      H    1     3.930      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    269    .   1    1    39    39    PRO    HB2     H    1     1.171      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    270    .   1    1    39    39    PRO    HG2     H    1     0.777      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    271    .   1    1    39    39    PRO    HG3     H    1     0.385      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    272    .   1    1    39    39    PRO    HD2     H    1     2.511      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    273    .   1    1    39    39    PRO    HD3     H    1     2.338      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    274    .   1    1    39    39    PRO    CA      C    13    62.608     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    275    .   1    1    39    39    PRO    CB      C    13    31.879     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    276    .   1    1    39    39    PRO    CG      C    13    26.108     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    277    .   1    1    39    39    PRO    CD      C    13    50.469     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    278    .   1    1    40    40    ASP    HA      H    1     4.570      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    279    .   1    1    40    40    ASP    HB2     H    1     2.815      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    280    .   1    1    40    40    ASP    HB3     H    1     2.746      0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    281    .   1    1    40    40    ASP    CA      C    13    52.986     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
    282    .   1    1    40    40    ASP    CB      C    13    38.401     0.0    .   .   .   .   .   .   .   .   .   .   6559    3    
  stop_

save_