Content for NMR-STAR saveframe, "chem_shift_list_2"

    save_chem_shift_list_2
  _Assigned_chem_shift_list.Sf_category                  assigned_chemical_shifts
  _Assigned_chem_shift_list.Sf_framecode                 chem_shift_list_2
  _Assigned_chem_shift_list.Entry_ID                     6627
  _Assigned_chem_shift_list.ID                           2
  _Assigned_chem_shift_list.Sample_condition_list_ID     2
  _Assigned_chem_shift_list.Sample_condition_list_label  $conditions_2
  _Assigned_chem_shift_list.Chem_shift_reference_ID      1
  _Assigned_chem_shift_list.Chem_shift_reference_label   $chemical_shift_referencing
  _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                      'D2O solution'
  _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    '1H13C HSQC'  2    $sample_2   isotropic    6627    2    
    2    HMBC          2    $sample_2   isotropic    6627    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      .   1    1    1     1     CYS    HA      H    1     4.49      0.02    .   1    .   .   .   .   1     CYS    HA     .   6627    2    
    2      .   1    1    1     1     CYS    HB2     H    1     3.36      0.02    .   2    .   .   .   .   1     CYS    HB2    .   6627    2    
    3      .   1    1    1     1     CYS    HB3     H    1     3.02      0.02    .   2    .   .   .   .   1     CYS    HB3    .   6627    2    
    4      .   1    1    1     1     CYS    C       C    13    174.2     0.5     .   1    .   .   .   .   1     CYS    C      .   6627    2    
    5      .   1    1    1     1     CYS    CA      C    13    59.2      0.5     .   1    .   .   .   .   1     CYS    CA     .   6627    2    
    6      .   1    1    1     1     CYS    CB      C    13    48.9      0.5     .   1    .   .   .   .   1     CYS    CB     .   6627    2    
    7      .   1    1    2     2     GLY    HA2     H    1     3.76      0.02    .   2    .   .   .   .   2     GLY    HA1    .   6627    2    
    8      .   1    1    2     2     GLY    HA3     H    1     3.88      0.02    .   2    .   .   .   .   2     GLY    HA2    .   6627    2    
    9      .   1    1    2     2     GLY    C       C    13    173.5     0.5     .   1    .   .   .   .   2     GLY    C      .   6627    2    
    10     .   1    1    2     2     GLY    CA      C    13    46.4      0.5     .   1    .   .   .   .   2     GLY    CA     .   6627    2    
    11     .   1    1    3     3     GLU    HA      H    1     4.81      0.02    .   1    .   .   .   .   3     GLU    HA     .   6627    2    
    12     .   1    1    3     3     GLU    HB2     H    1     2.10      0.02    .   2    .   .   .   .   3     GLU    HB2    .   6627    2    
    13     .   1    1    3     3     GLU    HB3     H    1     1.91      0.02    .   2    .   .   .   .   3     GLU    HB3    .   6627    2    
    14     .   1    1    3     3     GLU    HG2     H    1     2.55      0.02    .   1    .   .   .   .   3     GLU    HG2    .   6627    2    
    15     .   1    1    3     3     GLU    HG3     H    1     2.55      0.02    .   1    .   .   .   .   3     GLU    HG3    .   6627    2    
    16     .   1    1    3     3     GLU    C       C    13    174.6     0.5     .   1    .   .   .   .   3     GLU    C      .   6627    2    
    17     .   1    1    3     3     GLU    CA      C    13    54.4      0.5     .   1    .   .   .   .   3     GLU    CA     .   6627    2    
    18     .   1    1    3     3     GLU    CB      C    13    32.5      0.5     .   1    .   .   .   .   3     GLU    CB     .   6627    2    
    19     .   1    1    3     3     GLU    CG      C    13    33.5      0.5     .   1    .   .   .   .   3     GLU    CG     .   6627    2    
    20     .   1    1    3     3     GLU    CD      C    13    180.9     0.5     .   1    .   .   .   .   3     GLU    CD     .   6627    2    
    21     .   1    1    4     4     THR    HA      H    1     4.59      0.02    .   1    .   .   .   .   4     THR    HA     .   6627    2    
    22     .   1    1    4     4     THR    HB      H    1     4.46      0.02    .   1    .   .   .   .   4     THR    HB     .   6627    2    
    23     .   1    1    4     4     THR    HG21    H    1     1.16      0.02    .   1    .   .   .   .   4     THR    HG2    .   6627    2    
    24     .   1    1    4     4     THR    HG22    H    1     1.16      0.02    .   1    .   .   .   .   4     THR    HG2    .   6627    2    
    25     .   1    1    4     4     THR    HG23    H    1     1.16      0.02    .   1    .   .   .   .   4     THR    HG2    .   6627    2    
    26     .   1    1    4     4     THR    C       C    13    173.4     0.5     .   1    .   .   .   .   4     THR    C      .   6627    2    
    27     .   1    1    4     4     THR    CA      C    13    60.2      0.5     .   1    .   .   .   .   4     THR    CA     .   6627    2    
    28     .   1    1    4     4     THR    CB      C    13    70.6      0.5     .   1    .   .   .   .   4     THR    CB     .   6627    2    
    29     .   1    1    4     4     THR    CG2     C    13    21.6      0.5     .   1    .   .   .   .   4     THR    CG2    .   6627    2    
    30     .   1    1    5     5     CYS    HA      H    1     4.94      0.02    .   1    .   .   .   .   5     CYS    HA     .   6627    2    
    31     .   1    1    5     5     CYS    HB2     H    1     2.97      0.02    .   2    .   .   .   .   5     CYS    HB2    .   6627    2    
    32     .   1    1    5     5     CYS    HB3     H    1     3.21      0.02    .   2    .   .   .   .   5     CYS    HB3    .   6627    2    
    33     .   1    1    5     5     CYS    C       C    13    175.2     0.5     .   1    .   .   .   .   5     CYS    C      .   6627    2    
    34     .   1    1    5     5     CYS    CA      C    13    54.8      0.5     .   1    .   .   .   .   5     CYS    CA     .   6627    2    
    35     .   1    1    5     5     CYS    CB      C    13    47.2      0.5     .   1    .   .   .   .   5     CYS    CB     .   6627    2    
    36     .   1    1    6     6     VAL    HA      H    1     3.91      0.02    .   1    .   .   .   .   6     VAL    HA     .   6627    2    
    37     .   1    1    6     6     VAL    HB      H    1     2.05      0.02    .   1    .   .   .   .   6     VAL    HB     .   6627    2    
    38     .   1    1    6     6     VAL    HG11    H    1     1.03      0.02    .   2    .   .   .   .   6     VAL    HG1    .   6627    2    
    39     .   1    1    6     6     VAL    HG12    H    1     1.03      0.02    .   2    .   .   .   .   6     VAL    HG1    .   6627    2    
    40     .   1    1    6     6     VAL    HG13    H    1     1.03      0.02    .   2    .   .   .   .   6     VAL    HG1    .   6627    2    
    41     .   1    1    6     6     VAL    HG21    H    1     0.97      0.02    .   2    .   .   .   .   6     VAL    HG2    .   6627    2    
    42     .   1    1    6     6     VAL    HG22    H    1     0.97      0.02    .   2    .   .   .   .   6     VAL    HG2    .   6627    2    
    43     .   1    1    6     6     VAL    HG23    H    1     0.97      0.02    .   2    .   .   .   .   6     VAL    HG2    .   6627    2    
    44     .   1    1    6     6     VAL    C       C    13    177.9     0.5     .   1    .   .   .   .   6     VAL    C      .   6627    2    
    45     .   1    1    6     6     VAL    CA      C    13    64.9      0.5     .   1    .   .   .   .   6     VAL    CA     .   6627    2    
    46     .   1    1    6     6     VAL    CB      C    13    32.0      0.5     .   1    .   .   .   .   6     VAL    CB     .   6627    2    
    47     .   1    1    6     6     VAL    CG1     C    13    21.1      0.5     .   1    .   .   .   .   6     VAL    CG1    .   6627    2    
    48     .   1    1    6     6     VAL    CG2     C    13    21.7      0.5     .   1    .   .   .   .   6     VAL    CG2    .   6627    2    
    49     .   1    1    7     7     GLY    HA2     H    1     4.25      0.02    .   2    .   .   .   .   7     GLY    HA1    .   6627    2    
    50     .   1    1    7     7     GLY    HA3     H    1     3.87      0.02    .   2    .   .   .   .   7     GLY    HA2    .   6627    2    
    51     .   1    1    7     7     GLY    C       C    13    175.3     0.5     .   1    .   .   .   .   7     GLY    C      .   6627    2    
    52     .   1    1    7     7     GLY    CA      C    13    45.8      0.5     .   1    .   .   .   .   7     GLY    CA     .   6627    2    
    53     .   1    1    8     8     GLY    HA2     H    1     4.05      0.02    .   2    .   .   .   .   8     GLY    HA1    .   6627    2    
    54     .   1    1    8     8     GLY    HA3     H    1     4.40      0.02    .   2    .   .   .   .   8     GLY    HA2    .   6627    2    
    55     .   1    1    8     8     GLY    C       C    13    173.5     0.5     .   1    .   .   .   .   8     GLY    C      .   6627    2    
    56     .   1    1    8     8     GLY    CA      C    13    45.5      0.5     .   1    .   .   .   .   8     GLY    CA     .   6627    2    
    57     .   1    1    9     9     THR    HA      H    1     4.72      0.02    .   1    .   .   .   .   9     THR    HA     .   6627    2    
    58     .   1    1    9     9     THR    HB      H    1     4.13      0.02    .   1    .   .   .   .   9     THR    HB     .   6627    2    
    59     .   1    1    9     9     THR    HG21    H    1     1.17      0.02    .   1    .   .   .   .   9     THR    HG2    .   6627    2    
    60     .   1    1    9     9     THR    HG22    H    1     1.17      0.02    .   1    .   .   .   .   9     THR    HG2    .   6627    2    
    61     .   1    1    9     9     THR    HG23    H    1     1.17      0.02    .   1    .   .   .   .   9     THR    HG2    .   6627    2    
    62     .   1    1    9     9     THR    C       C    13    173.7     0.5     .   1    .   .   .   .   9     THR    C      .   6627    2    
    63     .   1    1    9     9     THR    CA      C    13    60.7      0.5     .   1    .   .   .   .   9     THR    CA     .   6627    2    
    64     .   1    1    9     9     THR    CB      C    13    71.4      0.5     .   1    .   .   .   .   9     THR    CB     .   6627    2    
    65     .   1    1    9     9     THR    CG2     C    13    21.2      0.5     .   1    .   .   .   .   9     THR    CG2    .   6627    2    
    66     .   1    1    10    10    CYS    HA      H    1     4.74      0.02    .   1    .   .   .   .   10    CYS    HA     .   6627    2    
    67     .   1    1    10    10    CYS    HB2     H    1     2.83      0.02    .   2    .   .   .   .   10    CYS    HB2    .   6627    2    
    68     .   1    1    10    10    CYS    HB3     H    1     3.06      0.02    .   2    .   .   .   .   10    CYS    HB3    .   6627    2    
    69     .   1    1    10    10    CYS    CA      C    13    55.3      0.5     .   1    .   .   .   .   10    CYS    CA     .   6627    2    
    70     .   1    1    10    10    CYS    CB      C    13    45.2      0.5     .   1    .   .   .   .   10    CYS    CB     .   6627    2    
    71     .   1    1    11    11    ASN    HA      H    1     4.72      0.02    .   1    .   .   .   .   11    ASN    HA     .   6627    2    
    72     .   1    1    11    11    ASN    HB2     H    1     2.82      0.02    .   1    .   .   .   .   11    ASN    HB2    .   6627    2    
    73     .   1    1    11    11    ASN    HB3     H    1     2.82      0.02    .   1    .   .   .   .   11    ASN    HB3    .   6627    2    
    74     .   1    1    11    11    ASN    C       C    13    175.8     0.5     .   1    .   .   .   .   11    ASN    C      .   6627    2    
    75     .   1    1    11    11    ASN    CA      C    13    54.2      0.5     .   1    .   .   .   .   11    ASN    CA     .   6627    2    
    76     .   1    1    11    11    ASN    CB      C    13    39.5      0.5     .   1    .   .   .   .   11    ASN    CB     .   6627    2    
    77     .   1    1    11    11    ASN    CG      C    13    176.8     0.5     .   1    .   .   .   .   11    ASN    CG     .   6627    2    
    78     .   1    1    12    12    THR    HA      H    1     4.53      0.02    .   1    .   .   .   .   12    THR    HA     .   6627    2    
    79     .   1    1    12    12    THR    HB      H    1     4.21      0.02    .   1    .   .   .   .   12    THR    HB     .   6627    2    
    80     .   1    1    12    12    THR    HG21    H    1     1.34      0.02    .   1    .   .   .   .   12    THR    HG2    .   6627    2    
    81     .   1    1    12    12    THR    HG22    H    1     1.34      0.02    .   1    .   .   .   .   12    THR    HG2    .   6627    2    
    82     .   1    1    12    12    THR    HG23    H    1     1.34      0.02    .   1    .   .   .   .   12    THR    HG2    .   6627    2    
    83     .   1    1    12    12    THR    C       C    13    172.5     0.5     .   1    .   .   .   .   12    THR    C      .   6627    2    
    84     .   1    1    12    12    THR    CA      C    13    61.1      0.5     .   1    .   .   .   .   12    THR    CA     .   6627    2    
    85     .   1    1    12    12    THR    CB      C    13    69.8      0.5     .   1    .   .   .   .   12    THR    CB     .   6627    2    
    86     .   1    1    12    12    THR    CG2     C    13    21.9      0.5     .   1    .   .   .   .   12    THR    CG2    .   6627    2    
    87     .   1    1    13    13    PRO    HA      H    1     4.29      0.02    .   1    .   .   .   .   13    PRO    HA     .   6627    2    
    88     .   1    1    13    13    PRO    HB2     H    1     2.33      0.02    .   2    .   .   .   .   13    PRO    HB2    .   6627    2    
    89     .   1    1    13    13    PRO    HB3     H    1     1.93      0.02    .   2    .   .   .   .   13    PRO    HB3    .   6627    2    
    90     .   1    1    13    13    PRO    HG2     H    1     2.16      0.02    .   2    .   .   .   .   13    PRO    HG2    .   6627    2    
    91     .   1    1    13    13    PRO    HG3     H    1     2.03      0.02    .   2    .   .   .   .   13    PRO    HG3    .   6627    2    
    92     .   1    1    13    13    PRO    HD2     H    1     4.15      0.02    .   2    .   .   .   .   13    PRO    HD2    .   6627    2    
    93     .   1    1    13    13    PRO    HD3     H    1     3.73      0.02    .   2    .   .   .   .   13    PRO    HD3    .   6627    2    
    94     .   1    1    13    13    PRO    C       C    13    177.0     0.5     .   1    .   .   .   .   13    PRO    C      .   6627    2    
    95     .   1    1    13    13    PRO    CA      C    13    64.2      0.5     .   1    .   .   .   .   13    PRO    CA     .   6627    2    
    96     .   1    1    13    13    PRO    CB      C    13    31.9      0.5     .   1    .   .   .   .   13    PRO    CB     .   6627    2    
    97     .   1    1    13    13    PRO    CG      C    13    27.6      0.5     .   1    .   .   .   .   13    PRO    CG     .   6627    2    
    98     .   1    1    13    13    PRO    CD      C    13    51.6      0.5     .   1    .   .   .   .   13    PRO    CD     .   6627    2    
    99     .   1    1    14    14    GLY    HA2     H    1     3.71      0.02    .   2    .   .   .   .   14    GLY    HA1    .   6627    2    
    100    .   1    1    14    14    GLY    HA3     H    1     4.20      0.02    .   2    .   .   .   .   14    GLY    HA2    .   6627    2    
    101    .   1    1    14    14    GLY    C       C    13    174.2     0.5     .   1    .   .   .   .   14    GLY    C      .   6627    2    
    102    .   1    1    14    14    GLY    CA      C    13    45.2      0.5     .   1    .   .   .   .   14    GLY    CA     .   6627    2    
    103    .   1    1    15    15    CYS    HA      H    1     5.33      0.02    .   1    .   .   .   .   15    CYS    HA     .   6627    2    
    104    .   1    1    15    15    CYS    HB2     H    1     3.82      0.02    .   2    .   .   .   .   15    CYS    HB2    .   6627    2    
    105    .   1    1    15    15    CYS    HB3     H    1     2.66      0.02    .   2    .   .   .   .   15    CYS    HB3    .   6627    2    
    106    .   1    1    15    15    CYS    C       C    13    173.5     0.5     .   1    .   .   .   .   15    CYS    C      .   6627    2    
    107    .   1    1    15    15    CYS    CA      C    13    57.9      0.5     .   1    .   .   .   .   15    CYS    CA     .   6627    2    
    108    .   1    1    15    15    CYS    CB      C    13    49.8      0.5     .   1    .   .   .   .   15    CYS    CB     .   6627    2    
    109    .   1    1    16    16    THR    HA      H    1     4.55      0.02    .   1    .   .   .   .   16    THR    HA     .   6627    2    
    110    .   1    1    16    16    THR    HB      H    1     4.05      0.02    .   1    .   .   .   .   16    THR    HB     .   6627    2    
    111    .   1    1    16    16    THR    HG21    H    1     1.14      0.02    .   1    .   .   .   .   16    THR    HG2    .   6627    2    
    112    .   1    1    16    16    THR    HG22    H    1     1.14      0.02    .   1    .   .   .   .   16    THR    HG2    .   6627    2    
    113    .   1    1    16    16    THR    HG23    H    1     1.14      0.02    .   1    .   .   .   .   16    THR    HG2    .   6627    2    
    114    .   1    1    16    16    THR    C       C    13    174.0     0.5     .   1    .   .   .   .   16    THR    C      .   6627    2    
    115    .   1    1    16    16    THR    CA      C    13    60.3      0.5     .   1    .   .   .   .   16    THR    CA     .   6627    2    
    116    .   1    1    16    16    THR    CB      C    13    71.3      0.5     .   1    .   .   .   .   16    THR    CB     .   6627    2    
    117    .   1    1    16    16    THR    CG2     C    13    21.1      0.5     .   1    .   .   .   .   16    THR    CG2    .   6627    2    
    118    .   1    1    17    17    CYS    HA      H    1     4.61      0.02    .   1    .   .   .   .   17    CYS    HA     .   6627    2    
    119    .   1    1    17    17    CYS    HB2     H    1     2.85      0.02    .   2    .   .   .   .   17    CYS    HB2    .   6627    2    
    120    .   1    1    17    17    CYS    HB3     H    1     3.12      0.02    .   2    .   .   .   .   17    CYS    HB3    .   6627    2    
    121    .   1    1    17    17    CYS    C       C    13    174.5     0.5     .   1    .   .   .   .   17    CYS    C      .   6627    2    
    122    .   1    1    17    17    CYS    CA      C    13    56.4      0.5     .   1    .   .   .   .   17    CYS    CA     .   6627    2    
    123    .   1    1    17    17    CYS    CB      C    13    40.1      0.5     .   1    .   .   .   .   17    CYS    CB     .   6627    2    
    124    .   1    1    18    18    SER    HA      H    1     4.78      0.02    .   1    .   .   .   .   18    SER    HA     .   6627    2    
    125    .   1    1    18    18    SER    HB2     H    1     3.86      0.02    .   1    .   .   .   .   18    SER    HB2    .   6627    2    
    126    .   1    1    18    18    SER    HB3     H    1     3.86      0.02    .   1    .   .   .   .   18    SER    HB3    .   6627    2    
    127    .   1    1    18    18    SER    C       C    13    174.1     0.5     .   1    .   .   .   .   18    SER    C      .   6627    2    
    128    .   1    1    18    18    SER    CA      C    13    56.5      0.5     .   1    .   .   .   .   18    SER    CA     .   6627    2    
    129    .   1    1    18    18    SER    CB      C    13    61.3      0.5     .   1    .   .   .   .   18    SER    CB     .   6627    2    
    130    .   1    1    19    19    TRP    HA      H    1     4.10      0.02    .   1    .   .   .   .   19    TRP    HA     .   6627    2    
    131    .   1    1    19    19    TRP    HB2     H    1     3.28      0.02    .   1    .   .   .   .   19    TRP    HB2    .   6627    2    
    132    .   1    1    19    19    TRP    HB3     H    1     3.28      0.02    .   1    .   .   .   .   19    TRP    HB3    .   6627    2    
    133    .   1    1    19    19    TRP    HD1     H    1     7.31      0.02    .   1    .   .   .   .   19    TRP    HD1    .   6627    2    
    134    .   1    1    19    19    TRP    HE3     H    1     7.46      0.02    .   1    .   .   .   .   19    TRP    HE3    .   6627    2    
    135    .   1    1    19    19    TRP    HZ2     H    1     7.54      0.02    .   1    .   .   .   .   19    TRP    HZ2    .   6627    2    
    136    .   1    1    19    19    TRP    HZ3     H    1     7.14      0.02    .   1    .   .   .   .   19    TRP    HZ3    .   6627    2    
    137    .   1    1    19    19    TRP    HH2     H    1     7.26      0.02    .   1    .   .   .   .   19    TRP    HH2    .   6627    2    
    138    .   1    1    19    19    TRP    C       C    13    175.3     0.5     .   1    .   .   .   .   19    TRP    C      .   6627    2    
    139    .   1    1    19    19    TRP    CA      C    13    59.1      0.5     .   1    .   .   .   .   19    TRP    CA     .   6627    2    
    140    .   1    1    19    19    TRP    CB      C    13    29.9      0.5     .   1    .   .   .   .   19    TRP    CB     .   6627    2    
    141    .   1    1    19    19    TRP    CG      C    13    110.5     0.5     .   1    .   .   .   .   19    TRP    CG     .   6627    2    
    142    .   1    1    19    19    TRP    CD1     C    13    128.0     0.5     .   1    .   .   .   .   19    TRP    CD1    .   6627    2    
    143    .   1    1    19    19    TRP    CD2     C    13    129.1     0.5     .   1    .   .   .   .   19    TRP    CD2    .   6627    2    
    144    .   1    1    19    19    TRP    CE2     C    13    139.0     0.5     .   1    .   .   .   .   19    TRP    CE2    .   6627    2    
    145    .   1    1    19    19    TRP    CE3     C    13    121.4     0.5     .   1    .   .   .   .   19    TRP    CE3    .   6627    2    
    146    .   1    1    19    19    TRP    CZ2     C    13    114.3     0.5     .   1    .   .   .   .   19    TRP    CZ2    .   6627    2    
    147    .   1    1    19    19    TRP    CZ3     C    13    122.1     0.5     .   1    .   .   .   .   19    TRP    CZ3    .   6627    2    
    148    .   1    1    19    19    TRP    CH2     C    13    124.7     0.5     .   1    .   .   .   .   19    TRP    CH2    .   6627    2    
    149    .   1    1    20    20    PRO    HA      H    1     3.46      0.02    .   1    .   .   .   .   20    PRO    HA     .   6627    2    
    150    .   1    1    20    20    PRO    HB2     H    1     1.71      0.02    .   2    .   .   .   .   20    PRO    HB2    .   6627    2    
    151    .   1    1    20    20    PRO    HB3     H    1     -0.095    0.02    .   2    .   .   .   .   20    PRO    HB3    .   6627    2    
    152    .   1    1    20    20    PRO    HD2     H    1     3.26      0.02    .   1    .   .   .   .   20    PRO    HD2    .   6627    2    
    153    .   1    1    20    20    PRO    HD3     H    1     3.26      0.02    .   1    .   .   .   .   20    PRO    HD3    .   6627    2    
    154    .   1    1    20    20    PRO    CA      C    13    65.0      0.5     .   1    .   .   .   .   20    PRO    CA     .   6627    2    
    155    .   1    1    20    20    PRO    CB      C    13    32.3      0.5     .   1    .   .   .   .   20    PRO    CB     .   6627    2    
    156    .   1    1    20    20    PRO    CD      C    13    48.9      0.5     .   1    .   .   .   .   20    PRO    CD     .   6627    2    
    157    .   1    1    21    21    VAL    HA      H    1     4.26      0.02    .   1    .   .   .   .   21    VAL    HA     .   6627    2    
    158    .   1    1    21    21    VAL    HB      H    1     1.95      0.02    .   1    .   .   .   .   21    VAL    HB     .   6627    2    
    159    .   1    1    21    21    VAL    HG11    H    1     0.87      0.02    .   2    .   .   .   .   21    VAL    HG1    .   6627    2    
    160    .   1    1    21    21    VAL    HG12    H    1     0.87      0.02    .   2    .   .   .   .   21    VAL    HG1    .   6627    2    
    161    .   1    1    21    21    VAL    HG13    H    1     0.87      0.02    .   2    .   .   .   .   21    VAL    HG1    .   6627    2    
    162    .   1    1    21    21    VAL    HG21    H    1     0.85      0.02    .   2    .   .   .   .   21    VAL    HG2    .   6627    2    
    163    .   1    1    21    21    VAL    HG22    H    1     0.85      0.02    .   2    .   .   .   .   21    VAL    HG2    .   6627    2    
    164    .   1    1    21    21    VAL    HG23    H    1     0.85      0.02    .   2    .   .   .   .   21    VAL    HG2    .   6627    2    
    165    .   1    1    21    21    VAL    CA      C    13    61.8      0.5     .   1    .   .   .   .   21    VAL    CA     .   6627    2    
    166    .   1    1    21    21    VAL    CB      C    13    35.2      0.5     .   1    .   .   .   .   21    VAL    CB     .   6627    2    
    167    .   1    1    21    21    VAL    CG1     C    13    21.4      0.5     .   1    .   .   .   .   21    VAL    CG1    .   6627    2    
    168    .   1    1    21    21    VAL    CG2     C    13    20.9      0.5     .   1    .   .   .   .   21    VAL    CG2    .   6627    2    
    169    .   1    1    22    22    CYS    HA      H    1     5.14      0.02    .   1    .   .   .   .   22    CYS    HA     .   6627    2    
    170    .   1    1    22    22    CYS    HB2     H    1     3.24      0.02    .   2    .   .   .   .   22    CYS    HB2    .   6627    2    
    171    .   1    1    22    22    CYS    HB3     H    1     2.78      0.02    .   2    .   .   .   .   22    CYS    HB3    .   6627    2    
    172    .   1    1    22    22    CYS    CA      C    13    56.8      0.5     .   1    .   .   .   .   22    CYS    CA     .   6627    2    
    173    .   1    1    22    22    CYS    CB      C    13    43.8      0.5     .   1    .   .   .   .   22    CYS    CB     .   6627    2    
    174    .   1    1    23    23    THR    HA      H    1     5.07      0.02    .   1    .   .   .   .   23    THR    HA     .   6627    2    
    175    .   1    1    23    23    THR    HB      H    1     3.73      0.02    .   1    .   .   .   .   23    THR    HB     .   6627    2    
    176    .   1    1    23    23    THR    HG21    H    1     0.90      0.02    .   1    .   .   .   .   23    THR    HG2    .   6627    2    
    177    .   1    1    23    23    THR    HG22    H    1     0.90      0.02    .   1    .   .   .   .   23    THR    HG2    .   6627    2    
    178    .   1    1    23    23    THR    HG23    H    1     0.90      0.02    .   1    .   .   .   .   23    THR    HG2    .   6627    2    
    179    .   1    1    23    23    THR    C       C    13    174.5     0.5     .   1    .   .   .   .   23    THR    C      .   6627    2    
    180    .   1    1    23    23    THR    CA      C    13    51.7      0.5     .   1    .   .   .   .   23    THR    CA     .   6627    2    
    181    .   1    1    23    23    THR    CB      C    13    72.5      0.5     .   1    .   .   .   .   23    THR    CB     .   6627    2    
    182    .   1    1    23    23    THR    CG2     C    13    21.2      0.5     .   1    .   .   .   .   23    THR    CG2    .   6627    2    
    183    .   1    1    24    24    ARG    HA      H    1     4.78      0.02    .   1    .   .   .   .   24    ARG    HA     .   6627    2    
    184    .   1    1    24    24    ARG    HB2     H    1     1.71      0.02    .   1    .   .   .   .   24    ARG    HB2    .   6627    2    
    185    .   1    1    24    24    ARG    HB3     H    1     1.71      0.02    .   1    .   .   .   .   24    ARG    HB3    .   6627    2    
    186    .   1    1    24    24    ARG    HG2     H    1     1.40      0.02    .   2    .   .   .   .   24    ARG    HG2    .   6627    2    
    187    .   1    1    24    24    ARG    HD2     H    1     3.18      0.02    .   1    .   .   .   .   24    ARG    HD2    .   6627    2    
    188    .   1    1    24    24    ARG    HD3     H    1     3.18      0.02    .   1    .   .   .   .   24    ARG    HD3    .   6627    2    
    189    .   1    1    24    24    ARG    C       C    13    176.7     0.5     .   1    .   .   .   .   24    ARG    C      .   6627    2    
    190    .   1    1    24    24    ARG    CA      C    13    55.6      0.5     .   1    .   .   .   .   24    ARG    CA     .   6627    2    
    191    .   1    1    24    24    ARG    CB      C    13    32.9      0.5     .   1    .   .   .   .   24    ARG    CB     .   6627    2    
    192    .   1    1    24    24    ARG    CG      C    13    24.1      0.5     .   1    .   .   .   .   24    ARG    CG     .   6627    2    
    193    .   1    1    24    24    ARG    CD      C    13    43.7      0.5     .   1    .   .   .   .   24    ARG    CD     .   6627    2    
    194    .   1    1    25    25    ASN    HA      H    1     4.41      0.02    .   1    .   .   .   .   25    ASN    HA     .   6627    2    
    195    .   1    1    25    25    ASN    HB2     H    1     3.11      0.02    .   2    .   .   .   .   25    ASN    HB2    .   6627    2    
    196    .   1    1    25    25    ASN    HB3     H    1     2.86      0.02    .   2    .   .   .   .   25    ASN    HB3    .   6627    2    
    197    .   1    1    25    25    ASN    C       C    13    174.8     0.5     .   1    .   .   .   .   25    ASN    C      .   6627    2    
    198    .   1    1    25    25    ASN    CA      C    13    54.5      0.5     .   1    .   .   .   .   25    ASN    CA     .   6627    2    
    199    .   1    1    25    25    ASN    CB      C    13    37.7      0.5     .   1    .   .   .   .   25    ASN    CB     .   6627    2    
    200    .   1    1    25    25    ASN    CG      C    13    178.0     0.5     .   1    .   .   .   .   25    ASN    CG     .   6627    2    
    201    .   1    1    26    26    GLY    HA2     H    1     4.26      0.02    .   2    .   .   .   .   26    GLY    HA1    .   6627    2    
    202    .   1    1    26    26    GLY    HA3     H    1     3.61      0.02    .   2    .   .   .   .   26    GLY    HA2    .   6627    2    
    203    .   1    1    26    26    GLY    C       C    13    173.8     0.5     .   1    .   .   .   .   26    GLY    C      .   6627    2    
    204    .   1    1    26    26    GLY    CA      C    13    45.0      0.5     .   1    .   .   .   .   26    GLY    CA     .   6627    2    
    205    .   1    1    27    27    LEU    HA      H    1     5.09      0.02    .   1    .   .   .   .   27    LEU    HA     .   6627    2    
    206    .   1    1    27    27    LEU    HB2     H    1     1.95      0.02    .   2    .   .   .   .   27    LEU    HB2    .   6627    2    
    207    .   1    1    27    27    LEU    HB3     H    1     1.49      0.02    .   2    .   .   .   .   27    LEU    HB3    .   6627    2    
    208    .   1    1    27    27    LEU    HG      H    1     1.72      0.02    .   1    .   .   .   .   27    LEU    HG     .   6627    2    
    209    .   1    1    27    27    LEU    HD11    H    1     1.00      0.02    .   2    .   .   .   .   27    LEU    HD1    .   6627    2    
    210    .   1    1    27    27    LEU    HD12    H    1     1.00      0.02    .   2    .   .   .   .   27    LEU    HD1    .   6627    2    
    211    .   1    1    27    27    LEU    HD13    H    1     1.00      0.02    .   2    .   .   .   .   27    LEU    HD1    .   6627    2    
    212    .   1    1    27    27    LEU    HD21    H    1     0.93      0.02    .   2    .   .   .   .   27    LEU    HD2    .   6627    2    
    213    .   1    1    27    27    LEU    HD22    H    1     0.93      0.02    .   2    .   .   .   .   27    LEU    HD2    .   6627    2    
    214    .   1    1    27    27    LEU    HD23    H    1     0.93      0.02    .   2    .   .   .   .   27    LEU    HD2    .   6627    2    
    215    .   1    1    27    27    LEU    C       C    13    173.4     0.5     .   1    .   .   .   .   27    LEU    C      .   6627    2    
    216    .   1    1    27    27    LEU    CA      C    13    59.6      0.5     .   1    .   .   .   .   27    LEU    CA     .   6627    2    
    217    .   1    1    27    27    LEU    CB      C    13    43.9      0.5     .   1    .   .   .   .   27    LEU    CB     .   6627    2    
    218    .   1    1    27    27    LEU    CG      C    13    26.8      0.5     .   1    .   .   .   .   27    LEU    CG     .   6627    2    
    219    .   1    1    27    27    LEU    CD1     C    13    25.3      0.5     .   1    .   .   .   .   27    LEU    CD1    .   6627    2    
    220    .   1    1    27    27    LEU    CD2     C    13    22.6      0.5     .   1    .   .   .   .   27    LEU    CD2    .   6627    2    
    221    .   1    1    28    28    PRO    HA      H    1     5.08      0.02    .   1    .   .   .   .   28    PRO    HA     .   6627    2    
    222    .   1    1    28    28    PRO    HB2     H    1     2.48      0.02    .   2    .   .   .   .   28    PRO    HB2    .   6627    2    
    223    .   1    1    28    28    PRO    HB3     H    1     1.73      0.02    .   2    .   .   .   .   28    PRO    HB3    .   6627    2    
    224    .   1    1    28    28    PRO    HG2     H    1     2.19      0.02    .   2    .   .   .   .   28    PRO    HG2    .   6627    2    
    225    .   1    1    28    28    PRO    HG3     H    1     2.08      0.02    .   2    .   .   .   .   28    PRO    HG3    .   6627    2    
    226    .   1    1    28    28    PRO    HD2     H    1     3.83      0.02    .   2    .   .   .   .   28    PRO    HD2    .   6627    2    
    227    .   1    1    28    28    PRO    HD3     H    1     3.76      0.02    .   2    .   .   .   .   28    PRO    HD3    .   6627    2    
    228    .   1    1    28    28    PRO    C       C    13    175.9     0.5     .   1    .   .   .   .   28    PRO    C      .   6627    2    
    229    .   1    1    28    28    PRO    CA      C    13    62.6      0.5     .   1    .   .   .   .   28    PRO    CA     .   6627    2    
    230    .   1    1    28    28    PRO    CB      C    13    28.0      0.5     .   1    .   .   .   .   28    PRO    CB     .   6627    2    
    231    .   1    1    28    28    PRO    CG      C    13    27.3      0.5     .   1    .   .   .   .   28    PRO    CG     .   6627    2    
    232    .   1    1    28    28    PRO    CD      C    13    50.3      0.5     .   1    .   .   .   .   28    PRO    CD     .   6627    2    
    233    .   1    1    29    29    VAL    HA      H    1     4.67      0.02    .   1    .   .   .   .   29    VAL    HA     .   6627    2    
    234    .   1    1    29    29    VAL    HB      H    1     2.59      0.02    .   1    .   .   .   .   29    VAL    HB     .   6627    2    
    235    .   1    1    29    29    VAL    HG11    H    1     0.90      0.02    .   2    .   .   .   .   29    VAL    HG1    .   6627    2    
    236    .   1    1    29    29    VAL    HG12    H    1     0.90      0.02    .   2    .   .   .   .   29    VAL    HG1    .   6627    2    
    237    .   1    1    29    29    VAL    HG13    H    1     0.90      0.02    .   2    .   .   .   .   29    VAL    HG1    .   6627    2    
    238    .   1    1    29    29    VAL    HG21    H    1     0.86      0.02    .   2    .   .   .   .   29    VAL    HG2    .   6627    2    
    239    .   1    1    29    29    VAL    HG22    H    1     0.86      0.02    .   2    .   .   .   .   29    VAL    HG2    .   6627    2    
    240    .   1    1    29    29    VAL    HG23    H    1     0.86      0.02    .   2    .   .   .   .   29    VAL    HG2    .   6627    2    
    241    .   1    1    29    29    VAL    C       C    13    176.3     0.5     .   1    .   .   .   .   29    VAL    C      .   6627    2    
    242    .   1    1    29    29    VAL    CA      C    13    60.5      0.5     .   1    .   .   .   .   29    VAL    CA     .   6627    2    
    243    .   1    1    29    29    VAL    CB      C    13    31.3      0.5     .   1    .   .   .   .   29    VAL    CB     .   6627    2    
    244    .   1    1    29    29    VAL    CG1     C    13    18.8      0.5     .   1    .   .   .   .   29    VAL    CG1    .   6627    2    
    245    .   1    1    29    29    VAL    CG2     C    13    21.4      0.5     .   1    .   .   .   .   29    VAL    CG2    .   6627    2    
  stop_

save_