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                      25917
   _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'   .   .   .   25917   1
      2   '2D 1H-1H NOESY'   .   .   .   25917   1
      3   '2D 1H-15N HSQC'   .   .   .   25917   1
      4   '2D 1H-13C HSQC'   .   .   .   25917   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    TYR   HA     H   1    4.389     0.000   .   .   .   .   .   A   1    TYR   HA     .   25917   1
      2     .   1   1   1    1    TYR   HB2    H   1    3.240     0.000   .   .   .   .   .   A   1    TYR   HB2    .   25917   1
      3     .   1   1   1    1    TYR   HB3    H   1    3.293     0.002   .   .   .   .   .   A   1    TYR   HB3    .   25917   1
      4     .   1   1   1    1    TYR   CA     C   13   54.341    0.000   .   .   .   .   .   A   1    TYR   CA     .   25917   1
      5     .   1   1   1    1    TYR   CB     C   13   35.812    0.000   .   .   .   .   .   A   1    TYR   CB     .   25917   1
      6     .   1   1   2    2    CYS   H      H   1    8.171     0.000   .   .   .   .   .   A   2    CYS   H      .   25917   1
      7     .   1   1   2    2    CYS   HA     H   1    5.094     0.001   .   .   .   .   .   A   2    CYS   HA     .   25917   1
      8     .   1   1   2    2    CYS   HB2    H   1    2.952     0.000   .   .   .   .   .   A   2    CYS   HB2    .   25917   1
      9     .   1   1   2    2    CYS   HB3    H   1    3.195     0.000   .   .   .   .   .   A   2    CYS   HB3    .   25917   1
      10    .   1   1   2    2    CYS   CA     C   13   51.805    0.000   .   .   .   .   .   A   2    CYS   CA     .   25917   1
      11    .   1   1   2    2    CYS   CB     C   13   40.451    0.019   .   .   .   .   .   A   2    CYS   CB     .   25917   1
      12    .   1   1   2    2    CYS   N      N   15   117.668   0.000   .   .   .   .   .   A   2    CYS   N      .   25917   1
      13    .   1   1   3    3    GLN   H      H   1    9.221     0.000   .   .   .   .   .   A   3    GLN   H      .   25917   1
      14    .   1   1   3    3    GLN   HA     H   1    4.517     0.000   .   .   .   .   .   A   3    GLN   HA     .   25917   1
      15    .   1   1   3    3    GLN   HB2    H   1    2.195     0.000   .   .   .   .   .   A   3    GLN   HB2    .   25917   1
      16    .   1   1   3    3    GLN   HB3    H   1    2.365     0.000   .   .   .   .   .   A   3    GLN   HB3    .   25917   1
      17    .   1   1   3    3    GLN   HG2    H   1    2.120     0.095   .   .   .   .   .   A   3    GLN   HG2    .   25917   1
      18    .   1   1   3    3    GLN   HG3    H   1    2.773     0.000   .   .   .   .   .   A   3    GLN   HG3    .   25917   1
      19    .   1   1   3    3    GLN   HE21   H   1    7.251     0.000   .   .   .   .   .   A   3    GLN   HE21   .   25917   1
      20    .   1   1   3    3    GLN   HE22   H   1    8.788     0.000   .   .   .   .   .   A   3    GLN   HE22   .   25917   1
      21    .   1   1   3    3    GLN   CA     C   13   52.011    0.000   .   .   .   .   .   A   3    GLN   CA     .   25917   1
      22    .   1   1   3    3    GLN   CB     C   13   28.970    0.000   .   .   .   .   .   A   3    GLN   CB     .   25917   1
      23    .   1   1   3    3    GLN   CG     C   13   30.694    1.201   .   .   .   .   .   A   3    GLN   CG     .   25917   1
      24    .   1   1   3    3    GLN   N      N   15   117.434   0.000   .   .   .   .   .   A   3    GLN   N      .   25917   1
      25    .   1   1   3    3    GLN   NE2    N   15   112.742   0.023   .   .   .   .   .   A   3    GLN   NE2    .   25917   1
      26    .   1   1   4    4    LYS   H      H   1    5.270     0.000   .   .   .   .   .   A   4    LYS   H      .   25917   1
      27    .   1   1   4    4    LYS   HA     H   1    3.708     0.000   .   .   .   .   .   A   4    LYS   HA     .   25917   1
      28    .   1   1   4    4    LYS   HB2    H   1    -0.434    0.000   .   .   .   .   .   A   4    LYS   HB2    .   25917   1
      29    .   1   1   4    4    LYS   HB3    H   1    1.440     0.000   .   .   .   .   .   A   4    LYS   HB3    .   25917   1
      30    .   1   1   4    4    LYS   HG2    H   1    0.432     0.000   .   .   .   .   .   A   4    LYS   HG2    .   25917   1
      31    .   1   1   4    4    LYS   HG3    H   1    0.685     0.000   .   .   .   .   .   A   4    LYS   HG3    .   25917   1
      32    .   1   1   4    4    LYS   HD2    H   1    1.335     0.009   .   .   .   .   .   A   4    LYS   HD2    .   25917   1
      33    .   1   1   4    4    LYS   HD3    H   1    1.335     0.009   .   .   .   .   .   A   4    LYS   HD3    .   25917   1
      34    .   1   1   4    4    LYS   HE2    H   1    2.833     0.005   .   .   .   .   .   A   4    LYS   HE2    .   25917   1
      35    .   1   1   4    4    LYS   HE3    H   1    2.833     0.005   .   .   .   .   .   A   4    LYS   HE3    .   25917   1
      36    .   1   1   4    4    LYS   CA     C   13   52.506    0.000   .   .   .   .   .   A   4    LYS   CA     .   25917   1
      37    .   1   1   4    4    LYS   CB     C   13   29.985    0.033   .   .   .   .   .   A   4    LYS   CB     .   25917   1
      38    .   1   1   4    4    LYS   CG     C   13   22.747    0.021   .   .   .   .   .   A   4    LYS   CG     .   25917   1
      39    .   1   1   4    4    LYS   CD     C   13   26.263    0.000   .   .   .   .   .   A   4    LYS   CD     .   25917   1
      40    .   1   1   4    4    LYS   CE     C   13   39.250    0.000   .   .   .   .   .   A   4    LYS   CE     .   25917   1
      41    .   1   1   5    5    TRP   H      H   1    7.941     0.000   .   .   .   .   .   A   5    TRP   H      .   25917   1
      42    .   1   1   5    5    TRP   HA     H   1    4.317     0.000   .   .   .   .   .   A   5    TRP   HA     .   25917   1
      43    .   1   1   5    5    TRP   HB2    H   1    3.120     0.000   .   .   .   .   .   A   5    TRP   HB2    .   25917   1
      44    .   1   1   5    5    TRP   HB3    H   1    3.120     0.000   .   .   .   .   .   A   5    TRP   HB3    .   25917   1
      45    .   1   1   5    5    TRP   HD1    H   1    7.476     0.000   .   .   .   .   .   A   5    TRP   HD1    .   25917   1
      46    .   1   1   5    5    TRP   HE1    H   1    10.741    0.000   .   .   .   .   .   A   5    TRP   HE1    .   25917   1
      47    .   1   1   5    5    TRP   HE3    H   1    7.582     0.000   .   .   .   .   .   A   5    TRP   HE3    .   25917   1
      48    .   1   1   5    5    TRP   HZ2    H   1    7.550     0.005   .   .   .   .   .   A   5    TRP   HZ2    .   25917   1
      49    .   1   1   5    5    TRP   HZ3    H   1    7.180     0.002   .   .   .   .   .   A   5    TRP   HZ3    .   25917   1
      50    .   1   1   5    5    TRP   HH2    H   1    7.287     0.001   .   .   .   .   .   A   5    TRP   HH2    .   25917   1
      51    .   1   1   5    5    TRP   CA     C   13   56.591    0.000   .   .   .   .   .   A   5    TRP   CA     .   25917   1
      52    .   1   1   5    5    TRP   CB     C   13   25.632    0.000   .   .   .   .   .   A   5    TRP   CB     .   25917   1
      53    .   1   1   5    5    TRP   N      N   15   118.577   0.000   .   .   .   .   .   A   5    TRP   N      .   25917   1
      54    .   1   1   5    5    TRP   NE1    N   15   129.900   0.000   .   .   .   .   .   A   5    TRP   NE1    .   25917   1
      55    .   1   1   6    6    MET   H      H   1    9.139     0.000   .   .   .   .   .   A   6    MET   H      .   25917   1
      56    .   1   1   6    6    MET   HA     H   1    3.924     0.000   .   .   .   .   .   A   6    MET   HA     .   25917   1
      57    .   1   1   6    6    MET   HB2    H   1    0.624     0.005   .   .   .   .   .   A   6    MET   HB2    .   25917   1
      58    .   1   1   6    6    MET   HB3    H   1    1.379     0.004   .   .   .   .   .   A   6    MET   HB3    .   25917   1
      59    .   1   1   6    6    MET   HG2    H   1    1.775     0.014   .   .   .   .   .   A   6    MET   HG2    .   25917   1
      60    .   1   1   6    6    MET   HG3    H   1    1.951     0.000   .   .   .   .   .   A   6    MET   HG3    .   25917   1
      61    .   1   1   6    6    MET   CA     C   13   53.883    0.000   .   .   .   .   .   A   6    MET   CA     .   25917   1
      62    .   1   1   6    6    MET   CB     C   13   27.846    0.000   .   .   .   .   .   A   6    MET   CB     .   25917   1
      63    .   1   1   6    6    MET   CG     C   13   24.596    0.019   .   .   .   .   .   A   6    MET   CG     .   25917   1
      64    .   1   1   6    6    MET   N      N   15   118.041   0.000   .   .   .   .   .   A   6    MET   N      .   25917   1
      65    .   1   1   7    7    TRP   H      H   1    8.676     0.000   .   .   .   .   .   A   7    TRP   H      .   25917   1
      66    .   1   1   7    7    TRP   HA     H   1    5.075     0.000   .   .   .   .   .   A   7    TRP   HA     .   25917   1
      67    .   1   1   7    7    TRP   HB2    H   1    3.468     0.000   .   .   .   .   .   A   7    TRP   HB2    .   25917   1
      68    .   1   1   7    7    TRP   HB3    H   1    3.619     0.000   .   .   .   .   .   A   7    TRP   HB3    .   25917   1
      69    .   1   1   7    7    TRP   HD1    H   1    7.123     0.000   .   .   .   .   .   A   7    TRP   HD1    .   25917   1
      70    .   1   1   7    7    TRP   HE1    H   1    10.239    0.000   .   .   .   .   .   A   7    TRP   HE1    .   25917   1
      71    .   1   1   7    7    TRP   HE3    H   1    7.768     0.000   .   .   .   .   .   A   7    TRP   HE3    .   25917   1
      72    .   1   1   7    7    TRP   HZ2    H   1    7.633     0.000   .   .   .   .   .   A   7    TRP   HZ2    .   25917   1
      73    .   1   1   7    7    TRP   HZ3    H   1    7.253     0.005   .   .   .   .   .   A   7    TRP   HZ3    .   25917   1
      74    .   1   1   7    7    TRP   HH2    H   1    7.370     0.000   .   .   .   .   .   A   7    TRP   HH2    .   25917   1
      75    .   1   1   7    7    TRP   CA     C   13   53.113    0.000   .   .   .   .   .   A   7    TRP   CA     .   25917   1
      76    .   1   1   7    7    TRP   CB     C   13   26.919    0.000   .   .   .   .   .   A   7    TRP   CB     .   25917   1
      77    .   1   1   7    7    TRP   N      N   15   121.757   0.000   .   .   .   .   .   A   7    TRP   N      .   25917   1
      78    .   1   1   7    7    TRP   NE1    N   15   128.978   0.000   .   .   .   .   .   A   7    TRP   NE1    .   25917   1
      79    .   1   1   8    8    THR   H      H   1    8.533     0.000   .   .   .   .   .   A   8    THR   H      .   25917   1
      80    .   1   1   8    8    THR   HA     H   1    4.576     0.000   .   .   .   .   .   A   8    THR   HA     .   25917   1
      81    .   1   1   8    8    THR   HB     H   1    4.317     0.000   .   .   .   .   .   A   8    THR   HB     .   25917   1
      82    .   1   1   8    8    THR   HG21   H   1    1.313     0.000   .   .   .   .   .   A   8    THR   HG21   .   25917   1
      83    .   1   1   8    8    THR   HG22   H   1    1.313     0.000   .   .   .   .   .   A   8    THR   HG22   .   25917   1
      84    .   1   1   8    8    THR   HG23   H   1    1.313     0.000   .   .   .   .   .   A   8    THR   HG23   .   25917   1
      85    .   1   1   8    8    THR   CA     C   13   60.134    0.000   .   .   .   .   .   A   8    THR   CA     .   25917   1
      86    .   1   1   8    8    THR   CB     C   13   67.139    0.000   .   .   .   .   .   A   8    THR   CB     .   25917   1
      87    .   1   1   8    8    THR   CG2    C   13   19.267    0.000   .   .   .   .   .   A   8    THR   CG2    .   25917   1
      88    .   1   1   8    8    THR   N      N   15   112.611   0.000   .   .   .   .   .   A   8    THR   N      .   25917   1
      89    .   1   1   9    9    CYS   H      H   1    7.841     0.000   .   .   .   .   .   A   9    CYS   H      .   25917   1
      90    .   1   1   9    9    CYS   HA     H   1    5.198     0.000   .   .   .   .   .   A   9    CYS   HA     .   25917   1
      91    .   1   1   9    9    CYS   HB2    H   1    3.340     0.000   .   .   .   .   .   A   9    CYS   HB2    .   25917   1
      92    .   1   1   9    9    CYS   HB3    H   1    3.440     0.000   .   .   .   .   .   A   9    CYS   HB3    .   25917   1
      93    .   1   1   9    9    CYS   CA     C   13   50.915    0.000   .   .   .   .   .   A   9    CYS   CA     .   25917   1
      94    .   1   1   9    9    CYS   CB     C   13   45.428    0.000   .   .   .   .   .   A   9    CYS   CB     .   25917   1
      95    .   1   1   9    9    CYS   N      N   15   116.041   0.000   .   .   .   .   .   A   9    CYS   N      .   25917   1
      96    .   1   1   10   10   ASP   H      H   1    8.744     0.000   .   .   .   .   .   A   10   ASP   H      .   25917   1
      97    .   1   1   10   10   ASP   HA     H   1    4.433     0.000   .   .   .   .   .   A   10   ASP   HA     .   25917   1
      98    .   1   1   10   10   ASP   HB2    H   1    3.218     0.000   .   .   .   .   .   A   10   ASP   HB2    .   25917   1
      99    .   1   1   10   10   ASP   HB3    H   1    3.218     0.000   .   .   .   .   .   A   10   ASP   HB3    .   25917   1
      100   .   1   1   10   10   ASP   CA     C   13   51.222    0.000   .   .   .   .   .   A   10   ASP   CA     .   25917   1
      101   .   1   1   10   10   ASP   CB     C   13   37.016    0.000   .   .   .   .   .   A   10   ASP   CB     .   25917   1
      102   .   1   1   10   10   ASP   N      N   15   118.399   0.000   .   .   .   .   .   A   10   ASP   N      .   25917   1
      103   .   1   1   11   11   SER   H      H   1    8.424     0.000   .   .   .   .   .   A   11   SER   H      .   25917   1
      104   .   1   1   11   11   SER   HA     H   1    4.124     0.003   .   .   .   .   .   A   11   SER   HA     .   25917   1
      105   .   1   1   11   11   SER   HB2    H   1    3.944     0.000   .   .   .   .   .   A   11   SER   HB2    .   25917   1
      106   .   1   1   11   11   SER   HB3    H   1    3.944     0.000   .   .   .   .   .   A   11   SER   HB3    .   25917   1
      107   .   1   1   11   11   SER   CA     C   13   59.020    0.000   .   .   .   .   .   A   11   SER   CA     .   25917   1
      108   .   1   1   11   11   SER   CB     C   13   60.066    0.000   .   .   .   .   .   A   11   SER   CB     .   25917   1
      109   .   1   1   11   11   SER   N      N   15   112.253   0.000   .   .   .   .   .   A   11   SER   N      .   25917   1
      110   .   1   1   12   12   GLU   H      H   1    8.239     0.000   .   .   .   .   .   A   12   GLU   H      .   25917   1
      111   .   1   1   12   12   GLU   HA     H   1    4.481     0.000   .   .   .   .   .   A   12   GLU   HA     .   25917   1
      112   .   1   1   12   12   GLU   HB2    H   1    2.051     0.000   .   .   .   .   .   A   12   GLU   HB2    .   25917   1
      113   .   1   1   12   12   GLU   HB3    H   1    2.172     0.000   .   .   .   .   .   A   12   GLU   HB3    .   25917   1
      114   .   1   1   12   12   GLU   HG2    H   1    2.427     0.000   .   .   .   .   .   A   12   GLU   HG2    .   25917   1
      115   .   1   1   12   12   GLU   HG3    H   1    2.427     0.000   .   .   .   .   .   A   12   GLU   HG3    .   25917   1
      116   .   1   1   12   12   GLU   CA     C   13   53.836    0.000   .   .   .   .   .   A   12   GLU   CA     .   25917   1
      117   .   1   1   12   12   GLU   CB     C   13   26.863    0.002   .   .   .   .   .   A   12   GLU   CB     .   25917   1
      118   .   1   1   12   12   GLU   CG     C   13   30.915    0.000   .   .   .   .   .   A   12   GLU   CG     .   25917   1
      119   .   1   1   12   12   GLU   N      N   15   124.186   0.000   .   .   .   .   .   A   12   GLU   N      .   25917   1
      120   .   1   1   13   13   ARG   H      H   1    8.194     0.000   .   .   .   .   .   A   13   ARG   H      .   25917   1
      121   .   1   1   13   13   ARG   HA     H   1    4.557     0.000   .   .   .   .   .   A   13   ARG   HA     .   25917   1
      122   .   1   1   13   13   ARG   HB2    H   1    1.820     0.000   .   .   .   .   .   A   13   ARG   HB2    .   25917   1
      123   .   1   1   13   13   ARG   HB3    H   1    1.820     0.000   .   .   .   .   .   A   13   ARG   HB3    .   25917   1
      124   .   1   1   13   13   ARG   HG2    H   1    1.440     0.000   .   .   .   .   .   A   13   ARG   HG2    .   25917   1
      125   .   1   1   13   13   ARG   HG3    H   1    1.636     0.000   .   .   .   .   .   A   13   ARG   HG3    .   25917   1
      126   .   1   1   13   13   ARG   HD2    H   1    3.071     0.000   .   .   .   .   .   A   13   ARG   HD2    .   25917   1
      127   .   1   1   13   13   ARG   HD3    H   1    3.221     0.000   .   .   .   .   .   A   13   ARG   HD3    .   25917   1
      128   .   1   1   13   13   ARG   HE     H   1    7.056     0.000   .   .   .   .   .   A   13   ARG   HE     .   25917   1
      129   .   1   1   13   13   ARG   CA     C   13   51.992    0.000   .   .   .   .   .   A   13   ARG   CA     .   25917   1
      130   .   1   1   13   13   ARG   CB     C   13   26.776    0.000   .   .   .   .   .   A   13   ARG   CB     .   25917   1
      131   .   1   1   13   13   ARG   CG     C   13   24.115    0.024   .   .   .   .   .   A   13   ARG   CG     .   25917   1
      132   .   1   1   13   13   ARG   CD     C   13   41.008    0.026   .   .   .   .   .   A   13   ARG   CD     .   25917   1
      133   .   1   1   13   13   ARG   N      N   15   116.195   0.000   .   .   .   .   .   A   13   ARG   N      .   25917   1
      134   .   1   1   14   14   LYS   H      H   1    7.969     0.000   .   .   .   .   .   A   14   LYS   H      .   25917   1
      135   .   1   1   14   14   LYS   HA     H   1    4.405     0.000   .   .   .   .   .   A   14   LYS   HA     .   25917   1
      136   .   1   1   14   14   LYS   HB2    H   1    1.773     0.000   .   .   .   .   .   A   14   LYS   HB2    .   25917   1
      137   .   1   1   14   14   LYS   HB3    H   1    1.923     0.000   .   .   .   .   .   A   14   LYS   HB3    .   25917   1
      138   .   1   1   14   14   LYS   HG2    H   1    1.475     0.008   .   .   .   .   .   A   14   LYS   HG2    .   25917   1
      139   .   1   1   14   14   LYS   HG3    H   1    1.706     0.005   .   .   .   .   .   A   14   LYS   HG3    .   25917   1
      140   .   1   1   14   14   LYS   HD2    H   1    3.087     0.004   .   .   .   .   .   A   14   LYS   HD2    .   25917   1
      141   .   1   1   14   14   LYS   HD3    H   1    3.087     0.004   .   .   .   .   .   A   14   LYS   HD3    .   25917   1
      142   .   1   1   14   14   LYS   HE2    H   1    3.082     0.000   .   .   .   .   .   A   14   LYS   HE2    .   25917   1
      143   .   1   1   14   14   LYS   HE3    H   1    3.082     0.000   .   .   .   .   .   A   14   LYS   HE3    .   25917   1
      144   .   1   1   14   14   LYS   HZ1    H   1    7.549     0.000   .   .   .   .   .   A   14   LYS   HZ1    .   25917   1
      145   .   1   1   14   14   LYS   HZ2    H   1    7.549     0.000   .   .   .   .   .   A   14   LYS   HZ2    .   25917   1
      146   .   1   1   14   14   LYS   HZ3    H   1    7.549     0.000   .   .   .   .   .   A   14   LYS   HZ3    .   25917   1
      147   .   1   1   14   14   LYS   CA     C   13   53.159    0.000   .   .   .   .   .   A   14   LYS   CA     .   25917   1
      148   .   1   1   14   14   LYS   CB     C   13   31.014    0.020   .   .   .   .   .   A   14   LYS   CB     .   25917   1
      149   .   1   1   14   14   LYS   CG     C   13   26.469    0.001   .   .   .   .   .   A   14   LYS   CG     .   25917   1
      150   .   1   1   14   14   LYS   CE     C   13   39.385    0.000   .   .   .   .   .   A   14   LYS   CE     .   25917   1
      151   .   1   1   14   14   LYS   N      N   15   121.150   0.000   .   .   .   .   .   A   14   LYS   N      .   25917   1
      152   .   1   1   15   15   CYS   H      H   1    9.162     0.000   .   .   .   .   .   A   15   CYS   H      .   25917   1
      153   .   1   1   15   15   CYS   HA     H   1    4.937     0.001   .   .   .   .   .   A   15   CYS   HA     .   25917   1
      154   .   1   1   15   15   CYS   HB2    H   1    2.534     0.000   .   .   .   .   .   A   15   CYS   HB2    .   25917   1
      155   .   1   1   15   15   CYS   HB3    H   1    3.013     0.007   .   .   .   .   .   A   15   CYS   HB3    .   25917   1
      156   .   1   1   15   15   CYS   CA     C   13   53.093    0.000   .   .   .   .   .   A   15   CYS   CA     .   25917   1
      157   .   1   1   15   15   CYS   CB     C   13   38.004    0.000   .   .   .   .   .   A   15   CYS   CB     .   25917   1
      158   .   1   1   15   15   CYS   N      N   15   119.435   0.000   .   .   .   .   .   A   15   CYS   N      .   25917   1
      159   .   1   1   16   16   CYS   H      H   1    9.123     0.000   .   .   .   .   .   A   16   CYS   H      .   25917   1
      160   .   1   1   16   16   CYS   HA     H   1    4.555     0.000   .   .   .   .   .   A   16   CYS   HA     .   25917   1
      161   .   1   1   16   16   CYS   HB2    H   1    2.393     0.000   .   .   .   .   .   A   16   CYS   HB2    .   25917   1
      162   .   1   1   16   16   CYS   HB3    H   1    3.376     0.002   .   .   .   .   .   A   16   CYS   HB3    .   25917   1
      163   .   1   1   16   16   CYS   CA     C   13   51.362    0.000   .   .   .   .   .   A   16   CYS   CA     .   25917   1
      164   .   1   1   16   16   CYS   CB     C   13   37.233    0.070   .   .   .   .   .   A   16   CYS   CB     .   25917   1
      165   .   1   1   16   16   CYS   N      N   15   120.864   0.000   .   .   .   .   .   A   16   CYS   N      .   25917   1
      166   .   1   1   17   17   GLU   H      H   1    8.305     0.000   .   .   .   .   .   A   17   GLU   H      .   25917   1
      167   .   1   1   17   17   GLU   HA     H   1    4.083     0.000   .   .   .   .   .   A   17   GLU   HA     .   25917   1
      168   .   1   1   17   17   GLU   HB2    H   1    2.025     0.000   .   .   .   .   .   A   17   GLU   HB2    .   25917   1
      169   .   1   1   17   17   GLU   HB3    H   1    2.082     0.000   .   .   .   .   .   A   17   GLU   HB3    .   25917   1
      170   .   1   1   17   17   GLU   HG2    H   1    2.432     0.000   .   .   .   .   .   A   17   GLU   HG2    .   25917   1
      171   .   1   1   17   17   GLU   HG3    H   1    2.432     0.000   .   .   .   .   .   A   17   GLU   HG3    .   25917   1
      172   .   1   1   17   17   GLU   CA     C   13   54.840    0.000   .   .   .   .   .   A   17   GLU   CA     .   25917   1
      173   .   1   1   17   17   GLU   CB     C   13   25.898    0.042   .   .   .   .   .   A   17   GLU   CB     .   25917   1
      174   .   1   1   17   17   GLU   CG     C   13   31.093    0.000   .   .   .   .   .   A   17   GLU   CG     .   25917   1
      175   .   1   1   17   17   GLU   N      N   15   118.077   0.000   .   .   .   .   .   A   17   GLU   N      .   25917   1
      176   .   1   1   18   18   GLY   H      H   1    8.861     0.000   .   .   .   .   .   A   18   GLY   H      .   25917   1
      177   .   1   1   18   18   GLY   HA2    H   1    4.298     0.000   .   .   .   .   .   A   18   GLY   HA2    .   25917   1
      178   .   1   1   18   18   GLY   HA3    H   1    3.706     0.000   .   .   .   .   .   A   18   GLY   HA3    .   25917   1
      179   .   1   1   18   18   GLY   CA     C   13   42.012    0.000   .   .   .   .   .   A   18   GLY   CA     .   25917   1
      180   .   1   1   18   18   GLY   N      N   15   111.182   0.000   .   .   .   .   .   A   18   GLY   N      .   25917   1
      181   .   1   1   19   19   MET   H      H   1    7.528     0.000   .   .   .   .   .   A   19   MET   H      .   25917   1
      182   .   1   1   19   19   MET   HA     H   1    5.097     0.000   .   .   .   .   .   A   19   MET   HA     .   25917   1
      183   .   1   1   19   19   MET   HB2    H   1    1.925     0.000   .   .   .   .   .   A   19   MET   HB2    .   25917   1
      184   .   1   1   19   19   MET   HB3    H   1    2.174     0.007   .   .   .   .   .   A   19   MET   HB3    .   25917   1
      185   .   1   1   19   19   MET   HG2    H   1    2.368     0.006   .   .   .   .   .   A   19   MET   HG2    .   25917   1
      186   .   1   1   19   19   MET   HG3    H   1    2.368     0.006   .   .   .   .   .   A   19   MET   HG3    .   25917   1
      187   .   1   1   19   19   MET   CA     C   13   51.128    0.000   .   .   .   .   .   A   19   MET   CA     .   25917   1
      188   .   1   1   19   19   MET   CB     C   13   34.904    0.014   .   .   .   .   .   A   19   MET   CB     .   25917   1
      189   .   1   1   19   19   MET   CG     C   13   30.485    0.000   .   .   .   .   .   A   19   MET   CG     .   25917   1
      190   .   1   1   19   19   MET   N      N   15   117.827   0.000   .   .   .   .   .   A   19   MET   N      .   25917   1
      191   .   1   1   20   20   VAL   H      H   1    9.110     0.000   .   .   .   .   .   A   20   VAL   H      .   25917   1
      192   .   1   1   20   20   VAL   HA     H   1    4.473     0.000   .   .   .   .   .   A   20   VAL   HA     .   25917   1
      193   .   1   1   20   20   VAL   HB     H   1    1.939     0.000   .   .   .   .   .   A   20   VAL   HB     .   25917   1
      194   .   1   1   20   20   VAL   HG11   H   1    0.856     0.000   .   .   .   .   .   A   20   VAL   HG11   .   25917   1
      195   .   1   1   20   20   VAL   HG12   H   1    0.856     0.000   .   .   .   .   .   A   20   VAL   HG12   .   25917   1
      196   .   1   1   20   20   VAL   HG13   H   1    0.856     0.000   .   .   .   .   .   A   20   VAL   HG13   .   25917   1
      197   .   1   1   20   20   VAL   HG21   H   1    0.856     0.000   .   .   .   .   .   A   20   VAL   HG21   .   25917   1
      198   .   1   1   20   20   VAL   HG22   H   1    0.856     0.000   .   .   .   .   .   A   20   VAL   HG22   .   25917   1
      199   .   1   1   20   20   VAL   HG23   H   1    0.856     0.000   .   .   .   .   .   A   20   VAL   HG23   .   25917   1
      200   .   1   1   20   20   VAL   CA     C   13   56.451    0.000   .   .   .   .   .   A   20   VAL   CA     .   25917   1
      201   .   1   1   20   20   VAL   CB     C   13   32.117    0.000   .   .   .   .   .   A   20   VAL   CB     .   25917   1
      202   .   1   1   20   20   VAL   CG1    C   13   18.088    0.000   .   .   .   .   .   A   20   VAL   CG1    .   25917   1
      203   .   1   1   20   20   VAL   N      N   15   116.719   0.000   .   .   .   .   .   A   20   VAL   N      .   25917   1
      204   .   1   1   21   21   CYS   H      H   1    8.943     0.000   .   .   .   .   .   A   21   CYS   H      .   25917   1
      205   .   1   1   21   21   CYS   HA     H   1    4.808     0.000   .   .   .   .   .   A   21   CYS   HA     .   25917   1
      206   .   1   1   21   21   CYS   HB2    H   1    2.854     0.000   .   .   .   .   .   A   21   CYS   HB2    .   25917   1
      207   .   1   1   21   21   CYS   HB3    H   1    3.337     0.000   .   .   .   .   .   A   21   CYS   HB3    .   25917   1
      208   .   1   1   21   21   CYS   CA     C   13   52.509    0.000   .   .   .   .   .   A   21   CYS   CA     .   25917   1
      209   .   1   1   21   21   CYS   CB     C   13   37.078    0.028   .   .   .   .   .   A   21   CYS   CB     .   25917   1
      210   .   1   1   21   21   CYS   N      N   15   122.699   0.000   .   .   .   .   .   A   21   CYS   N      .   25917   1
      211   .   1   1   22   22   ARG   H      H   1    8.248     0.000   .   .   .   .   .   A   22   ARG   H      .   25917   1
      212   .   1   1   22   22   ARG   HA     H   1    4.522     0.000   .   .   .   .   .   A   22   ARG   HA     .   25917   1
      213   .   1   1   22   22   ARG   HB2    H   1    1.591     0.000   .   .   .   .   .   A   22   ARG   HB2    .   25917   1
      214   .   1   1   22   22   ARG   HB3    H   1    1.736     0.000   .   .   .   .   .   A   22   ARG   HB3    .   25917   1
      215   .   1   1   22   22   ARG   HG2    H   1    1.479     0.000   .   .   .   .   .   A   22   ARG   HG2    .   25917   1
      216   .   1   1   22   22   ARG   HG3    H   1    1.559     0.002   .   .   .   .   .   A   22   ARG   HG3    .   25917   1
      217   .   1   1   22   22   ARG   HD2    H   1    3.129     0.000   .   .   .   .   .   A   22   ARG   HD2    .   25917   1
      218   .   1   1   22   22   ARG   HD3    H   1    3.256     0.000   .   .   .   .   .   A   22   ARG   HD3    .   25917   1
      219   .   1   1   22   22   ARG   HE     H   1    7.243     0.001   .   .   .   .   .   A   22   ARG   HE     .   25917   1
      220   .   1   1   22   22   ARG   CA     C   13   52.576    0.000   .   .   .   .   .   A   22   ARG   CA     .   25917   1
      221   .   1   1   22   22   ARG   CB     C   13   33.792    6.612   .   .   .   .   .   A   22   ARG   CB     .   25917   1
      222   .   1   1   22   22   ARG   CG     C   13   26.398    0.000   .   .   .   .   .   A   22   ARG   CG     .   25917   1
      223   .   1   1   22   22   ARG   N      N   15   134.904   0.000   .   .   .   .   .   A   22   ARG   N      .   25917   1
      224   .   1   1   23   23   LEU   H      H   1    8.108     0.000   .   .   .   .   .   A   23   LEU   H      .   25917   1
      225   .   1   1   23   23   LEU   HA     H   1    3.723     0.005   .   .   .   .   .   A   23   LEU   HA     .   25917   1
      226   .   1   1   23   23   LEU   HB2    H   1    1.027     0.005   .   .   .   .   .   A   23   LEU   HB2    .   25917   1
      227   .   1   1   23   23   LEU   HB3    H   1    2.153     0.000   .   .   .   .   .   A   23   LEU   HB3    .   25917   1
      228   .   1   1   23   23   LEU   HG     H   1    1.384     0.008   .   .   .   .   .   A   23   LEU   HG     .   25917   1
      229   .   1   1   23   23   LEU   HD11   H   1    0.808     0.000   .   .   .   .   .   A   23   LEU   HD11   .   25917   1
      230   .   1   1   23   23   LEU   HD12   H   1    0.808     0.000   .   .   .   .   .   A   23   LEU   HD12   .   25917   1
      231   .   1   1   23   23   LEU   HD13   H   1    0.808     0.000   .   .   .   .   .   A   23   LEU   HD13   .   25917   1
      232   .   1   1   23   23   LEU   HD21   H   1    0.808     0.000   .   .   .   .   .   A   23   LEU   HD21   .   25917   1
      233   .   1   1   23   23   LEU   HD22   H   1    0.808     0.000   .   .   .   .   .   A   23   LEU   HD22   .   25917   1
      234   .   1   1   23   23   LEU   HD23   H   1    0.808     0.000   .   .   .   .   .   A   23   LEU   HD23   .   25917   1
      235   .   1   1   23   23   LEU   CA     C   13   58.762    0.000   .   .   .   .   .   A   23   LEU   CA     .   25917   1
      236   .   1   1   23   23   LEU   CB     C   13   37.343    0.019   .   .   .   .   .   A   23   LEU   CB     .   25917   1
      237   .   1   1   23   23   LEU   CG     C   13   24.734    0.000   .   .   .   .   .   A   23   LEU   CG     .   25917   1
      238   .   1   1   23   23   LEU   CD1    C   13   20.593    0.000   .   .   .   .   .   A   23   LEU   CD1    .   25917   1
      239   .   1   1   23   23   LEU   N      N   15   123.936   0.000   .   .   .   .   .   A   23   LEU   N      .   25917   1
      240   .   1   1   24   24   TRP   H      H   1    8.115     0.000   .   .   .   .   .   A   24   TRP   H      .   25917   1
      241   .   1   1   24   24   TRP   HA     H   1    5.319     0.000   .   .   .   .   .   A   24   TRP   HA     .   25917   1
      242   .   1   1   24   24   TRP   HB2    H   1    2.698     0.000   .   .   .   .   .   A   24   TRP   HB2    .   25917   1
      243   .   1   1   24   24   TRP   HB3    H   1    3.002     0.004   .   .   .   .   .   A   24   TRP   HB3    .   25917   1
      244   .   1   1   24   24   TRP   HD1    H   1    7.063     0.000   .   .   .   .   .   A   24   TRP   HD1    .   25917   1
      245   .   1   1   24   24   TRP   HE1    H   1    10.235    0.000   .   .   .   .   .   A   24   TRP   HE1    .   25917   1
      246   .   1   1   24   24   TRP   HE3    H   1    7.793     0.816   .   .   .   .   .   A   24   TRP   HE3    .   25917   1
      247   .   1   1   24   24   TRP   HZ2    H   1    7.465     0.000   .   .   .   .   .   A   24   TRP   HZ2    .   25917   1
      248   .   1   1   24   24   TRP   HZ3    H   1    6.924     0.002   .   .   .   .   .   A   24   TRP   HZ3    .   25917   1
      249   .   1   1   24   24   TRP   HH2    H   1    7.641     0.010   .   .   .   .   .   A   24   TRP   HH2    .   25917   1
      250   .   1   1   24   24   TRP   CA     C   13   53.633    0.000   .   .   .   .   .   A   24   TRP   CA     .   25917   1
      251   .   1   1   24   24   TRP   CB     C   13   29.503    0.028   .   .   .   .   .   A   24   TRP   CB     .   25917   1
      252   .   1   1   24   24   TRP   N      N   15   123.699   0.000   .   .   .   .   .   A   24   TRP   N      .   25917   1
      253   .   1   1   24   24   TRP   NE1    N   15   129.418   0.000   .   .   .   .   .   A   24   TRP   NE1    .   25917   1
      254   .   1   1   25   25   CYS   H      H   1    8.671     0.000   .   .   .   .   .   A   25   CYS   H      .   25917   1
      255   .   1   1   25   25   CYS   HA     H   1    4.915     0.000   .   .   .   .   .   A   25   CYS   HA     .   25917   1
      256   .   1   1   25   25   CYS   HB2    H   1    3.174     0.006   .   .   .   .   .   A   25   CYS   HB2    .   25917   1
      257   .   1   1   25   25   CYS   HB3    H   1    3.388     0.004   .   .   .   .   .   A   25   CYS   HB3    .   25917   1
      258   .   1   1   25   25   CYS   CA     C   13   53.656    0.000   .   .   .   .   .   A   25   CYS   CA     .   25917   1
      259   .   1   1   25   25   CYS   CB     C   13   37.264    0.030   .   .   .   .   .   A   25   CYS   CB     .   25917   1
      260   .   1   1   25   25   CYS   N      N   15   118.684   0.000   .   .   .   .   .   A   25   CYS   N      .   25917   1
      261   .   1   1   26   26   LYS   H      H   1    9.316     0.000   .   .   .   .   .   A   26   LYS   H      .   25917   1
      262   .   1   1   26   26   LYS   HA     H   1    4.973     0.000   .   .   .   .   .   A   26   LYS   HA     .   25917   1
      263   .   1   1   26   26   LYS   HB2    H   1    1.731     0.000   .   .   .   .   .   A   26   LYS   HB2    .   25917   1
      264   .   1   1   26   26   LYS   HB3    H   1    2.035     0.000   .   .   .   .   .   A   26   LYS   HB3    .   25917   1
      265   .   1   1   26   26   LYS   HG2    H   1    1.479     0.000   .   .   .   .   .   A   26   LYS   HG2    .   25917   1
      266   .   1   1   26   26   LYS   HG3    H   1    1.615     0.000   .   .   .   .   .   A   26   LYS   HG3    .   25917   1
      267   .   1   1   26   26   LYS   HE2    H   1    2.830     0.001   .   .   .   .   .   A   26   LYS   HE2    .   25917   1
      268   .   1   1   26   26   LYS   HE3    H   1    2.830     0.001   .   .   .   .   .   A   26   LYS   HE3    .   25917   1
      269   .   1   1   26   26   LYS   HZ1    H   1    7.610     0.002   .   .   .   .   .   A   26   LYS   HZ1    .   25917   1
      270   .   1   1   26   26   LYS   HZ2    H   1    7.610     0.002   .   .   .   .   .   A   26   LYS   HZ2    .   25917   1
      271   .   1   1   26   26   LYS   HZ3    H   1    7.610     0.002   .   .   .   .   .   A   26   LYS   HZ3    .   25917   1
      272   .   1   1   26   26   LYS   CA     C   13   52.104    0.000   .   .   .   .   .   A   26   LYS   CA     .   25917   1
      273   .   1   1   26   26   LYS   CB     C   13   32.887    0.014   .   .   .   .   .   A   26   LYS   CB     .   25917   1
      274   .   1   1   26   26   LYS   CG     C   13   24.038    0.027   .   .   .   .   .   A   26   LYS   CG     .   25917   1
      275   .   1   1   26   26   LYS   CE     C   13   39.115    0.000   .   .   .   .   .   A   26   LYS   CE     .   25917   1
      276   .   1   1   26   26   LYS   N      N   15   124.865   0.000   .   .   .   .   .   A   26   LYS   N      .   25917   1
      277   .   1   1   27   27   LYS   H      H   1    8.461     0.000   .   .   .   .   .   A   27   LYS   H      .   25917   1
      278   .   1   1   27   27   LYS   HA     H   1    4.303     0.000   .   .   .   .   .   A   27   LYS   HA     .   25917   1
      279   .   1   1   27   27   LYS   HB2    H   1    1.629     0.012   .   .   .   .   .   A   27   LYS   HB2    .   25917   1
      280   .   1   1   27   27   LYS   HB3    H   1    1.768     0.000   .   .   .   .   .   A   27   LYS   HB3    .   25917   1
      281   .   1   1   27   27   LYS   HG2    H   1    1.161     0.000   .   .   .   .   .   A   27   LYS   HG2    .   25917   1
      282   .   1   1   27   27   LYS   HG3    H   1    1.161     0.000   .   .   .   .   .   A   27   LYS   HG3    .   25917   1
      283   .   1   1   27   27   LYS   HE2    H   1    2.825     0.000   .   .   .   .   .   A   27   LYS   HE2    .   25917   1
      284   .   1   1   27   27   LYS   HE3    H   1    2.825     0.000   .   .   .   .   .   A   27   LYS   HE3    .   25917   1
      285   .   1   1   27   27   LYS   HZ1    H   1    7.448     0.000   .   .   .   .   .   A   27   LYS   HZ1    .   25917   1
      286   .   1   1   27   27   LYS   HZ2    H   1    7.448     0.000   .   .   .   .   .   A   27   LYS   HZ2    .   25917   1
      287   .   1   1   27   27   LYS   HZ3    H   1    7.448     0.000   .   .   .   .   .   A   27   LYS   HZ3    .   25917   1
      288   .   1   1   27   27   LYS   C      C   13   54.469    0.000   .   .   .   .   .   A   27   LYS   C      .   25917   1
      289   .   1   1   27   27   LYS   CB     C   13   30.360    0.000   .   .   .   .   .   A   27   LYS   CB     .   25917   1
      290   .   1   1   27   27   LYS   CG     C   13   22.775    0.000   .   .   .   .   .   A   27   LYS   CG     .   25917   1
      291   .   1   1   27   27   LYS   CE     C   13   39.234    0.000   .   .   .   .   .   A   27   LYS   CE     .   25917   1
      292   .   1   1   27   27   LYS   N      N   15   119.792   0.000   .   .   .   .   .   A   27   LYS   N      .   25917   1
      293   .   1   1   28   28   LYS   H      H   1    8.157     0.000   .   .   .   .   .   A   28   LYS   H      .   25917   1
      294   .   1   1   28   28   LYS   HA     H   1    4.106     0.000   .   .   .   .   .   A   28   LYS   HA     .   25917   1
      295   .   1   1   28   28   LYS   HB2    H   1    1.510     0.000   .   .   .   .   .   A   28   LYS   HB2    .   25917   1
      296   .   1   1   28   28   LYS   HB3    H   1    1.629     0.000   .   .   .   .   .   A   28   LYS   HB3    .   25917   1
      297   .   1   1   28   28   LYS   HG2    H   1    1.146     0.000   .   .   .   .   .   A   28   LYS   HG2    .   25917   1
      298   .   1   1   28   28   LYS   HG3    H   1    1.146     0.000   .   .   .   .   .   A   28   LYS   HG3    .   25917   1
      299   .   1   1   28   28   LYS   HE2    H   1    2.735     0.001   .   .   .   .   .   A   28   LYS   HE2    .   25917   1
      300   .   1   1   28   28   LYS   HE3    H   1    2.735     0.001   .   .   .   .   .   A   28   LYS   HE3    .   25917   1
      301   .   1   1   28   28   LYS   HZ1    H   1    7.443     0.006   .   .   .   .   .   A   28   LYS   HZ1    .   25917   1
      302   .   1   1   28   28   LYS   HZ2    H   1    7.443     0.006   .   .   .   .   .   A   28   LYS   HZ2    .   25917   1
      303   .   1   1   28   28   LYS   HZ3    H   1    7.443     0.006   .   .   .   .   .   A   28   LYS   HZ3    .   25917   1
      304   .   1   1   28   28   LYS   CA     C   13   53.883    0.000   .   .   .   .   .   A   28   LYS   CA     .   25917   1
      305   .   1   1   28   28   LYS   CB     C   13   30.390    0.013   .   .   .   .   .   A   28   LYS   CB     .   25917   1
      306   .   1   1   28   28   LYS   CG     C   13   22.126    0.000   .   .   .   .   .   A   28   LYS   CG     .   25917   1
      307   .   1   1   28   28   LYS   CE     C   13   39.088    0.000   .   .   .   .   .   A   28   LYS   CE     .   25917   1
      308   .   1   1   28   28   LYS   N      N   15   122.343   0.000   .   .   .   .   .   A   28   LYS   N      .   25917   1
      309   .   1   1   29   29   LEU   H      H   1    8.290     0.300   .   .   .   .   .   A   29   LEU   H      .   25917   1
      310   .   1   1   29   29   LEU   HA     H   1    4.320     0.000   .   .   .   .   .   A   29   LEU   HA     .   25917   1
      311   .   1   1   29   29   LEU   HB2    H   1    1.721     0.123   .   .   .   .   .   A   29   LEU   HB2    .   25917   1
      312   .   1   1   29   29   LEU   HB3    H   1    1.650     0.196   .   .   .   .   .   A   29   LEU   HB3    .   25917   1
      313   .   1   1   29   29   LEU   HG     H   1    1.365     0.000   .   .   .   .   .   A   29   LEU   HG     .   25917   1
      314   .   1   1   29   29   LEU   HD11   H   1    0.886     0.005   .   .   .   .   .   A   29   LEU   HD11   .   25917   1
      315   .   1   1   29   29   LEU   HD12   H   1    0.886     0.005   .   .   .   .   .   A   29   LEU   HD12   .   25917   1
      316   .   1   1   29   29   LEU   HD13   H   1    0.886     0.005   .   .   .   .   .   A   29   LEU   HD13   .   25917   1
      317   .   1   1   29   29   LEU   HD21   H   1    0.812     0.007   .   .   .   .   .   A   29   LEU   HD21   .   25917   1
      318   .   1   1   29   29   LEU   HD22   H   1    0.812     0.007   .   .   .   .   .   A   29   LEU   HD22   .   25917   1
      319   .   1   1   29   29   LEU   HD23   H   1    0.812     0.007   .   .   .   .   .   A   29   LEU   HD23   .   25917   1
      320   .   1   1   29   29   LEU   CA     C   13   52.134    0.000   .   .   .   .   .   A   29   LEU   CA     .   25917   1
      321   .   1   1   29   29   LEU   CB     C   13   26.262    0.080   .   .   .   .   .   A   29   LEU   CB     .   25917   1
      322   .   1   1   29   29   LEU   CD1    C   13   22.047    0.000   .   .   .   .   .   A   29   LEU   CD1    .   25917   1
      323   .   1   1   29   29   LEU   CD2    C   13   22.047    0.000   .   .   .   .   .   A   29   LEU   CD2    .   25917   1
      324   .   1   1   29   29   LEU   N      N   15   118.006   0.000   .   .   .   .   .   A   29   LEU   N      .   25917   1
      325   .   1   1   30   30   TRP   H      H   1    8.009     0.000   .   .   .   .   .   A   30   TRP   H      .   25917   1
      326   .   1   1   30   30   TRP   HA     H   1    4.643     0.000   .   .   .   .   .   A   30   TRP   HA     .   25917   1
      327   .   1   1   30   30   TRP   HB2    H   1    3.228     0.000   .   .   .   .   .   A   30   TRP   HB2    .   25917   1
      328   .   1   1   30   30   TRP   HB3    H   1    3.321     0.002   .   .   .   .   .   A   30   TRP   HB3    .   25917   1
      329   .   1   1   30   30   TRP   HD1    H   1    7.252     0.000   .   .   .   .   .   A   30   TRP   HD1    .   25917   1
      330   .   1   1   30   30   TRP   HE1    H   1    10.163    0.000   .   .   .   .   .   A   30   TRP   HE1    .   25917   1
      331   .   1   1   30   30   TRP   HZ2    H   1    7.494     0.004   .   .   .   .   .   A   30   TRP   HZ2    .   25917   1
      332   .   1   1   30   30   TRP   CA     C   13   53.813    0.000   .   .   .   .   .   A   30   TRP   CA     .   25917   1
      333   .   1   1   30   30   TRP   CB     C   13   27.048    0.014   .   .   .   .   .   A   30   TRP   CB     .   25917   1
      334   .   1   1   30   30   TRP   N      N   15   121.543   0.000   .   .   .   .   .   A   30   TRP   N      .   25917   1
      335   .   1   1   30   30   TRP   NE1    N   15   129.172   0.000   .   .   .   .   .   A   30   TRP   NE1    .   25917   1
   stop_
save_