###################################
     #  Assigned chemical shift lists  #
     ###################################

###################################################################
#       Chemical Shift Ambiguity Index Value Definitions          #
#                                                                 #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains.                              #
#                                                                 #
#   Index Value            Definition                             #
#                                                                 #
#      1             Unique (including isolated methyl protons,   #
#                         geminal atoms, and geminal methyl       #
#                         groups with identical chemical shifts)  #
#                         (e.g. ILE HD11, HD12, HD13 protons)     #
#      2             Ambiguity of geminal atoms or geminal methyl #
#                         proton groups (e.g. ASP HB2 and HB3     #
#                         protons, LEU CD1 and CD2 carbons, or    #
#                         LEU HD11, HD12, HD13 and HD21, HD22,    #
#                         HD23 methyl protons)                    #
#      3             Aromatic atoms on opposite sides of          #
#                         symmetrical rings (e.g. TYR HE1 and HE2 #
#                         protons)                                #
#      4             Intraresidue ambiguities (e.g. LYS HG and    #
#                         HD protons or TRP HZ2 and HZ3 protons)  #
#      5             Interresidue ambiguities (LYS 12 vs. LYS 27) #
#      6             Intermolecular ambiguities (e.g. ASP 31 CA   #
#                         in monomer 1 and ASP 31 CA in monomer 2 #
#                         of an asymmetrical homodimer, duplex    #
#                         DNA assignments, or other assignments   #
#                         that may apply to atoms in one or more  #
#                         molecule in the molecular assembly)     #
#      9             Ambiguous, specific ambiguity not defined    #
#                                                                 #
###################################################################

save_assigned_chemical_shifts_1
   _Assigned_chem_shift_list.Sf_category                  assigned_chemical_shifts
   _Assigned_chem_shift_list.Sf_framecode                 assigned_chemical_shifts_1
   _Assigned_chem_shift_list.Entry_ID                     52318
   _Assigned_chem_shift_list.ID                           1
   _Assigned_chem_shift_list.Name                         'ecPDF (1-147) / BB4 (secondary form)'
   _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   $chem_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

     6    '3D HNCA'         .   .   .   52318   1    
     7    '3D HN(CO)CA'     .   .   .   52318   1    
     8    '3D HN(CO)CACB'   .   .   .   52318   1    
     9    '3D HNCACB'       .   .   .   52318   1    
     10   '3D HNCO'         .   .   .   52318   1    
     11   '3D HNCACO'       .   .   .   52318   1    
     12   '3D H(CCO)NH'     .   .   .   52318   1    

   stop_

   loop_
      _Chem_shift_software.Software_ID
      _Chem_shift_software.Software_label
      _Chem_shift_software.Method_ID
      _Chem_shift_software.Method_label
      _Chem_shift_software.Entry_ID
      _Chem_shift_software.Assigned_chem_shift_list_ID

     1   $software_1   .   .   52318   1    

   stop_

   loop_
      _Atom_chem_shift.ID
      _Atom_chem_shift.Assembly_atom_ID
      _Atom_chem_shift.Entity_assembly_ID
      _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID
      _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   4     4     SER   C     C   13   174.107   0.000   .   1   .   .   .   .   .   1     SER   C     .   52318   1    
     2     .   1   .   1   4     4     SER   CA    C   13   58.274    0.049   .   1   .   .   .   .   .   1     SER   CA    .   52318   1    
     3     .   1   .   1   4     4     SER   CB    C   13   63.465    0.020   .   1   .   .   .   .   .   1     SER   CB    .   52318   1    
     4     .   1   .   1   5     5     VAL   H     H   1    7.927     0.002   .   1   .   .   .   .   .   2     VAL   H     .   52318   1    
     5     .   1   .   1   5     5     VAL   C     C   13   175.978   0.000   .   1   .   .   .   .   .   2     VAL   C     .   52318   1    
     6     .   1   .   1   5     5     VAL   CA    C   13   62.838    0.000   .   1   .   .   .   .   .   2     VAL   CA    .   52318   1    
     7     .   1   .   1   5     5     VAL   CB    C   13   32.610    0.000   .   1   .   .   .   .   .   2     VAL   CB    .   52318   1    
     8     .   1   .   1   5     5     VAL   N     N   15   120.616   0.040   .   1   .   .   .   .   .   2     VAL   N     .   52318   1    
     9     .   1   .   1   7     7     GLN   C     C   13   174.844   0.004   .   1   .   .   .   .   .   4     GLN   C     .   52318   1    
     10    .   1   .   1   7     7     GLN   CA    C   13   55.020    0.042   .   1   .   .   .   .   .   4     GLN   CA    .   52318   1    
     11    .   1   .   1   7     7     GLN   CG    C   13   33.878    0.000   .   1   .   .   .   .   .   4     GLN   CG    .   52318   1    
     12    .   1   .   1   8     8     VAL   H     H   1    8.349     0.004   .   1   .   .   .   .   .   5     VAL   H     .   52318   1    
     13    .   1   .   1   8     8     VAL   C     C   13   176.388   0.018   .   1   .   .   .   .   .   5     VAL   C     .   52318   1    
     14    .   1   .   1   8     8     VAL   CA    C   13   62.119    0.049   .   1   .   .   .   .   .   5     VAL   CA    .   52318   1    
     15    .   1   .   1   8     8     VAL   CB    C   13   32.018    0.000   .   1   .   .   .   .   .   5     VAL   CB    .   52318   1    
     16    .   1   .   1   8     8     VAL   N     N   15   125.908   0.055   .   1   .   .   .   .   .   5     VAL   N     .   52318   1    
     17    .   1   .   1   9     9     LEU   H     H   1    9.091     0.004   .   1   .   .   .   .   .   6     LEU   H     .   52318   1    
     18    .   1   .   1   9     9     LEU   C     C   13   176.637   0.000   .   1   .   .   .   .   .   6     LEU   C     .   52318   1    
     19    .   1   .   1   9     9     LEU   CA    C   13   54.440    0.023   .   1   .   .   .   .   .   6     LEU   CA    .   52318   1    
     20    .   1   .   1   9     9     LEU   N     N   15   127.369   0.109   .   1   .   .   .   .   .   6     LEU   N     .   52318   1    
     21    .   1   .   1   14    14    GLU   C     C   13   179.443   0.000   .   1   .   .   .   .   .   11    GLU   C     .   52318   1    
     22    .   1   .   1   14    14    GLU   CA    C   13   58.868    0.012   .   1   .   .   .   .   .   11    GLU   CA    .   52318   1    
     23    .   1   .   1   14    14    GLU   CB    C   13   29.242    0.034   .   1   .   .   .   .   .   11    GLU   CB    .   52318   1    
     24    .   1   .   1   14    14    GLU   CG    C   13   36.128    0.000   .   1   .   .   .   .   .   11    GLU   CG    .   52318   1    
     25    .   1   .   1   15    15    ARG   H     H   1    9.446     0.003   .   1   .   .   .   .   .   12    ARG   H     .   52318   1    
     26    .   1   .   1   15    15    ARG   C     C   13   177.357   0.007   .   1   .   .   .   .   .   12    ARG   C     .   52318   1    
     27    .   1   .   1   15    15    ARG   CA    C   13   59.552    0.000   .   1   .   .   .   .   .   12    ARG   CA    .   52318   1    
     28    .   1   .   1   15    15    ARG   N     N   15   122.818   0.008   .   1   .   .   .   .   .   12    ARG   N     .   52318   1    
     29    .   1   .   1   16    16    LEU   H     H   1    7.277     0.002   .   1   .   .   .   .   .   13    LEU   H     .   52318   1    
     30    .   1   .   1   16    16    LEU   C     C   13   176.418   0.010   .   1   .   .   .   .   .   13    LEU   C     .   52318   1    
     31    .   1   .   1   16    16    LEU   CA    C   13   55.887    0.036   .   1   .   .   .   .   .   13    LEU   CA    .   52318   1    
     32    .   1   .   1   16    16    LEU   CB    C   13   43.155    0.000   .   1   .   .   .   .   .   13    LEU   CB    .   52318   1    
     33    .   1   .   1   16    16    LEU   CG    C   13   26.365    0.000   .   1   .   .   .   .   .   13    LEU   CG    .   52318   1    
     34    .   1   .   1   16    16    LEU   N     N   15   113.317   0.025   .   1   .   .   .   .   .   13    LEU   N     .   52318   1    
     35    .   1   .   1   17    17    ARG   H     H   1    7.405     0.003   .   1   .   .   .   .   .   14    ARG   H     .   52318   1    
     36    .   1   .   1   17    17    ARG   C     C   13   176.059   0.000   .   1   .   .   .   .   .   14    ARG   C     .   52318   1    
     37    .   1   .   1   17    17    ARG   CA    C   13   53.737    0.000   .   1   .   .   .   .   .   14    ARG   CA    .   52318   1    
     38    .   1   .   1   17    17    ARG   CB    C   13   30.417    0.000   .   1   .   .   .   .   .   14    ARG   CB    .   52318   1    
     39    .   1   .   1   17    17    ARG   N     N   15   113.855   0.087   .   1   .   .   .   .   .   14    ARG   N     .   52318   1    
     40    .   1   .   1   19    19    VAL   C     C   13   176.755   0.000   .   1   .   .   .   .   .   16    VAL   C     .   52318   1    
     41    .   1   .   1   20    20    ALA   H     H   1    8.395     0.001   .   1   .   .   .   .   .   17    ALA   H     .   52318   1    
     42    .   1   .   1   20    20    ALA   C     C   13   178.387   0.002   .   1   .   .   .   .   .   17    ALA   C     .   52318   1    
     43    .   1   .   1   20    20    ALA   CA    C   13   52.748    0.039   .   1   .   .   .   .   .   17    ALA   CA    .   52318   1    
     44    .   1   .   1   20    20    ALA   CB    C   13   20.463    0.032   .   1   .   .   .   .   .   17    ALA   CB    .   52318   1    
     45    .   1   .   1   20    20    ALA   N     N   15   131.634   0.102   .   1   .   .   .   .   .   17    ALA   N     .   52318   1    
     46    .   1   .   1   21    21    LYS   H     H   1    8.086     0.006   .   1   .   .   .   .   .   18    LYS   H     .   52318   1    
     47    .   1   .   1   21    21    LYS   C     C   13   174.414   0.000   .   1   .   .   .   .   .   18    LYS   C     .   52318   1    
     48    .   1   .   1   21    21    LYS   CA    C   13   54.050    0.000   .   1   .   .   .   .   .   18    LYS   CA    .   52318   1    
     49    .   1   .   1   21    21    LYS   CB    C   13   32.812    0.000   .   1   .   .   .   .   .   18    LYS   CB    .   52318   1    
     50    .   1   .   1   21    21    LYS   N     N   15   122.794   0.074   .   1   .   .   .   .   .   18    LYS   N     .   52318   1    
     51    .   1   .   1   22    22    PRO   C     C   13   176.614   0.010   .   1   .   .   .   .   .   19    PRO   C     .   52318   1    
     52    .   1   .   1   22    22    PRO   CA    C   13   63.128    0.065   .   1   .   .   .   .   .   19    PRO   CA    .   52318   1    
     53    .   1   .   1   22    22    PRO   CB    C   13   31.415    0.071   .   1   .   .   .   .   .   19    PRO   CB    .   52318   1    
     54    .   1   .   1   22    22    PRO   CG    C   13   27.729    0.000   .   1   .   .   .   .   .   19    PRO   CG    .   52318   1    
     55    .   1   .   1   23    23    VAL   H     H   1    10.281    0.004   .   1   .   .   .   .   .   20    VAL   H     .   52318   1    
     56    .   1   .   1   23    23    VAL   C     C   13   177.847   0.000   .   1   .   .   .   .   .   20    VAL   C     .   52318   1    
     57    .   1   .   1   23    23    VAL   CA    C   13   63.001    0.000   .   1   .   .   .   .   .   20    VAL   CA    .   52318   1    
     58    .   1   .   1   23    23    VAL   N     N   15   126.369   0.032   .   1   .   .   .   .   .   20    VAL   N     .   52318   1    
     59    .   1   .   1   35    35    ASP   C     C   13   180.047   0.000   .   1   .   .   .   .   .   32    ASP   C     .   52318   1    
     60    .   1   .   1   35    35    ASP   CA    C   13   58.223    0.036   .   1   .   .   .   .   .   32    ASP   CA    .   52318   1    
     61    .   1   .   1   35    35    ASP   CB    C   13   39.761    0.000   .   1   .   .   .   .   .   32    ASP   CB    .   52318   1    
     62    .   1   .   1   36    36    ASP   H     H   1    8.851     0.004   .   1   .   .   .   .   .   33    ASP   H     .   52318   1    
     63    .   1   .   1   36    36    ASP   C     C   13   180.183   0.007   .   1   .   .   .   .   .   33    ASP   C     .   52318   1    
     64    .   1   .   1   36    36    ASP   CA    C   13   57.584    0.036   .   1   .   .   .   .   .   33    ASP   CA    .   52318   1    
     65    .   1   .   1   36    36    ASP   CB    C   13   39.953    0.048   .   1   .   .   .   .   .   33    ASP   CB    .   52318   1    
     66    .   1   .   1   36    36    ASP   N     N   15   124.110   0.037   .   1   .   .   .   .   .   33    ASP   N     .   52318   1    
     67    .   1   .   1   37    37    MET   H     H   1    9.281     0.005   .   1   .   .   .   .   .   34    MET   H     .   52318   1    
     68    .   1   .   1   37    37    MET   C     C   13   178.106   0.002   .   1   .   .   .   .   .   34    MET   C     .   52318   1    
     69    .   1   .   1   37    37    MET   CA    C   13   60.654    0.028   .   1   .   .   .   .   .   34    MET   CA    .   52318   1    
     70    .   1   .   1   37    37    MET   N     N   15   124.386   0.109   .   1   .   .   .   .   .   34    MET   N     .   52318   1    
     71    .   1   .   1   38    38    PHE   H     H   1    8.593     0.002   .   1   .   .   .   .   .   35    PHE   H     .   52318   1    
     72    .   1   .   1   38    38    PHE   C     C   13   177.338   0.000   .   1   .   .   .   .   .   35    PHE   C     .   52318   1    
     73    .   1   .   1   38    38    PHE   CA    C   13   64.274    0.000   .   1   .   .   .   .   .   35    PHE   CA    .   52318   1    
     74    .   1   .   1   38    38    PHE   CB    C   13   38.982    0.000   .   1   .   .   .   .   .   35    PHE   CB    .   52318   1    
     75    .   1   .   1   38    38    PHE   N     N   15   118.594   0.125   .   1   .   .   .   .   .   35    PHE   N     .   52318   1    
     76    .   1   .   1   45    45    GLU   C     C   13   176.305   0.000   .   1   .   .   .   .   .   42    GLU   C     .   52318   1    
     77    .   1   .   1   45    45    GLU   CA    C   13   57.530    0.000   .   1   .   .   .   .   .   42    GLU   CA    .   52318   1    
     78    .   1   .   1   45    45    GLU   CB    C   13   26.507    0.000   .   1   .   .   .   .   .   42    GLU   CB    .   52318   1    
     79    .   1   .   1   46    46    GLY   H     H   1    8.557     0.004   .   1   .   .   .   .   .   43    GLY   H     .   52318   1    
     80    .   1   .   1   46    46    GLY   CA    C   13   44.190    0.000   .   1   .   .   .   .   .   43    GLY   CA    .   52318   1    
     81    .   1   .   1   46    46    GLY   N     N   15   103.761   0.002   .   1   .   .   .   .   .   43    GLY   N     .   52318   1    
     82    .   1   .   1   51    51    ALA   C     C   13   179.124   0.000   .   1   .   .   .   .   .   48    ALA   C     .   52318   1    
     83    .   1   .   1   51    51    ALA   CA    C   13   56.158    0.029   .   1   .   .   .   .   .   48    ALA   CA    .   52318   1    
     84    .   1   .   1   51    51    ALA   CB    C   13   18.533    0.033   .   1   .   .   .   .   .   48    ALA   CB    .   52318   1    
     85    .   1   .   1   52    52    THR   H     H   1    7.037     0.002   .   1   .   .   .   .   .   49    THR   H     .   52318   1    
     86    .   1   .   1   52    52    THR   C     C   13   176.526   0.000   .   1   .   .   .   .   .   49    THR   C     .   52318   1    
     87    .   1   .   1   52    52    THR   CA    C   13   67.397    0.000   .   1   .   .   .   .   .   49    THR   CA    .   52318   1    
     88    .   1   .   1   52    52    THR   CB    C   13   72.587    0.000   .   1   .   .   .   .   .   49    THR   CB    .   52318   1    
     89    .   1   .   1   52    52    THR   N     N   15   113.303   0.072   .   1   .   .   .   .   .   49    THR   N     .   52318   1    
     90    .   1   .   1   54    54    VAL   C     C   13   175.330   0.000   .   1   .   .   .   .   .   51    VAL   C     .   52318   1    
     91    .   1   .   1   55    55    ASP   H     H   1    7.813     0.000   .   1   .   .   .   .   .   52    ASP   H     .   52318   1    
     92    .   1   .   1   55    55    ASP   N     N   15   117.724   0.000   .   1   .   .   .   .   .   52    ASP   N     .   52318   1    
     93    .   1   .   1   57    57    HIS   C     C   13   178.026   0.000   .   1   .   .   .   .   .   54    HIS   C     .   52318   1    
     94    .   1   .   1   58    58    GLN   H     H   1    8.057     0.005   .   1   .   .   .   .   .   55    GLN   H     .   52318   1    
     95    .   1   .   1   58    58    GLN   C     C   13   177.018   0.000   .   1   .   .   .   .   .   55    GLN   C     .   52318   1    
     96    .   1   .   1   58    58    GLN   CA    C   13   53.897    0.030   .   1   .   .   .   .   .   55    GLN   CA    .   52318   1    
     97    .   1   .   1   58    58    GLN   CB    C   13   29.863    0.000   .   1   .   .   .   .   .   55    GLN   CB    .   52318   1    
     98    .   1   .   1   58    58    GLN   CG    C   13   35.370    0.000   .   1   .   .   .   .   .   55    GLN   CG    .   52318   1    
     99    .   1   .   1   58    58    GLN   N     N   15   120.157   0.119   .   1   .   .   .   .   .   55    GLN   N     .   52318   1    
     100   .   1   .   1   65    65    VAL   C     C   13   176.909   0.000   .   1   .   .   .   .   .   62    VAL   C     .   52318   1    
     101   .   1   .   1   65    65    VAL   CA    C   13   60.453    0.040   .   1   .   .   .   .   .   62    VAL   CA    .   52318   1    
     102   .   1   .   1   65    65    VAL   CB    C   13   31.122    0.000   .   1   .   .   .   .   .   62    VAL   CB    .   52318   1    
     103   .   1   .   1   66    66    SER   H     H   1    9.244     0.002   .   1   .   .   .   .   .   63    SER   H     .   52318   1    
     104   .   1   .   1   66    66    SER   CA    C   13   59.219    0.013   .   1   .   .   .   .   .   63    SER   CA    .   52318   1    
     105   .   1   .   1   66    66    SER   CB    C   13   65.122    0.035   .   1   .   .   .   .   .   63    SER   CB    .   52318   1    
     106   .   1   .   1   66    66    SER   N     N   15   122.460   0.072   .   1   .   .   .   .   .   63    SER   N     .   52318   1    
     107   .   1   .   1   69    69    ARG   C     C   13   175.027   0.017   .   1   .   .   .   .   .   66    ARG   C     .   52318   1    
     108   .   1   .   1   69    69    ARG   CA    C   13   55.734    0.003   .   1   .   .   .   .   .   66    ARG   CA    .   52318   1    
     109   .   1   .   1   70    70    ASP   H     H   1    8.047     0.000   .   1   .   .   .   .   .   67    ASP   H     .   52318   1    
     110   .   1   .   1   70    70    ASP   C     C   13   176.197   0.000   .   1   .   .   .   .   .   67    ASP   C     .   52318   1    
     111   .   1   .   1   70    70    ASP   CA    C   13   52.188    0.000   .   1   .   .   .   .   .   67    ASP   CA    .   52318   1    
     112   .   1   .   1   70    70    ASP   CB    C   13   41.252    0.000   .   1   .   .   .   .   .   67    ASP   CB    .   52318   1    
     113   .   1   .   1   70    70    ASP   N     N   15   117.205   0.082   .   1   .   .   .   .   .   67    ASP   N     .   52318   1    
     114   .   1   .   1   74    74    VAL   C     C   13   174.504   0.011   .   1   .   .   .   .   .   71    VAL   C     .   52318   1    
     115   .   1   .   1   74    74    VAL   CA    C   13   61.296    0.011   .   1   .   .   .   .   .   71    VAL   CA    .   52318   1    
     116   .   1   .   1   74    74    VAL   CB    C   13   34.548    0.000   .   1   .   .   .   .   .   71    VAL   CB    .   52318   1    
     117   .   1   .   1   75    75    LEU   H     H   1    8.961     0.003   .   1   .   .   .   .   .   72    LEU   H     .   52318   1    
     118   .   1   .   1   75    75    LEU   C     C   13   174.449   0.000   .   1   .   .   .   .   .   72    LEU   C     .   52318   1    
     119   .   1   .   1   75    75    LEU   CA    C   13   53.296    0.000   .   1   .   .   .   .   .   72    LEU   CA    .   52318   1    
     120   .   1   .   1   75    75    LEU   N     N   15   124.026   0.011   .   1   .   .   .   .   .   72    LEU   N     .   52318   1    
     121   .   1   .   1   76    76    ILE   H     H   1    9.158     0.004   .   1   .   .   .   .   .   73    ILE   H     .   52318   1    
     122   .   1   .   1   76    76    ILE   C     C   13   175.190   0.007   .   1   .   .   .   .   .   73    ILE   C     .   52318   1    
     123   .   1   .   1   76    76    ILE   CA    C   13   60.085    0.000   .   1   .   .   .   .   .   73    ILE   CA    .   52318   1    
     124   .   1   .   1   76    76    ILE   N     N   15   124.842   0.119   .   1   .   .   .   .   .   73    ILE   N     .   52318   1    
     125   .   1   .   1   102   102   LEU   C     C   13   176.284   0.000   .   1   .   .   .   .   .   99    LEU   C     .   52318   1    
     126   .   1   .   1   102   102   LEU   CA    C   13   55.259    0.040   .   1   .   .   .   .   .   99    LEU   CA    .   52318   1    
     127   .   1   .   1   102   102   LEU   CB    C   13   42.632    0.000   .   1   .   .   .   .   .   99    LEU   CB    .   52318   1    
     128   .   1   .   1   103   103   VAL   H     H   1    7.250     0.004   .   1   .   .   .   .   .   100   VAL   H     .   52318   1    
     129   .   1   .   1   103   103   VAL   C     C   13   173.353   0.000   .   1   .   .   .   .   .   100   VAL   C     .   52318   1    
     130   .   1   .   1   103   103   VAL   CA    C   13   58.355    0.000   .   1   .   .   .   .   .   100   VAL   CA    .   52318   1    
     131   .   1   .   1   103   103   VAL   N     N   15   124.790   0.000   .   1   .   .   .   .   .   100   VAL   N     .   52318   1    
     132   .   1   .   1   106   106   ALA   C     C   13   177.524   0.009   .   1   .   .   .   .   .   103   ALA   C     .   52318   1    
     133   .   1   .   1   106   106   ALA   CA    C   13   51.742    0.031   .   1   .   .   .   .   .   103   ALA   CA    .   52318   1    
     134   .   1   .   1   106   106   ALA   CB    C   13   18.837    0.004   .   1   .   .   .   .   .   103   ALA   CB    .   52318   1    
     135   .   1   .   1   107   107   GLU   H     H   1    7.064     0.002   .   1   .   .   .   .   .   104   GLU   H     .   52318   1    
     136   .   1   .   1   107   107   GLU   C     C   13   175.102   0.007   .   1   .   .   .   .   .   104   GLU   C     .   52318   1    
     137   .   1   .   1   107   107   GLU   CA    C   13   57.371    0.013   .   1   .   .   .   .   .   104   GLU   CA    .   52318   1    
     138   .   1   .   1   107   107   GLU   CB    C   13   31.365    0.051   .   1   .   .   .   .   .   104   GLU   CB    .   52318   1    
     139   .   1   .   1   107   107   GLU   CG    C   13   36.459    0.000   .   1   .   .   .   .   .   104   GLU   CG    .   52318   1    
     140   .   1   .   1   107   107   GLU   N     N   15   121.047   0.003   .   1   .   .   .   .   .   104   GLU   N     .   52318   1    
     141   .   1   .   1   108   108   LYS   H     H   1    8.188     0.003   .   1   .   .   .   .   .   105   LYS   H     .   52318   1    
     142   .   1   .   1   108   108   LYS   C     C   13   176.253   0.000   .   1   .   .   .   .   .   105   LYS   C     .   52318   1    
     143   .   1   .   1   108   108   LYS   CA    C   13   54.325    0.000   .   1   .   .   .   .   .   105   LYS   CA    .   52318   1    
     144   .   1   .   1   108   108   LYS   CB    C   13   35.950    0.000   .   1   .   .   .   .   .   105   LYS   CB    .   52318   1    
     145   .   1   .   1   108   108   LYS   N     N   15   115.039   0.010   .   1   .   .   .   .   .   105   LYS   N     .   52318   1    
     146   .   1   .   1   110   110   LYS   C     C   13   175.619   0.000   .   1   .   .   .   .   .   107   LYS   C     .   52318   1    
     147   .   1   .   1   110   110   LYS   CA    C   13   55.135    0.004   .   1   .   .   .   .   .   107   LYS   CA    .   52318   1    
     148   .   1   .   1   111   111   ILE   H     H   1    9.136     0.001   .   1   .   .   .   .   .   108   ILE   H     .   52318   1    
     149   .   1   .   1   111   111   ILE   CA    C   13   57.618    0.000   .   1   .   .   .   .   .   108   ILE   CA    .   52318   1    
     150   .   1   .   1   111   111   ILE   N     N   15   121.628   0.027   .   1   .   .   .   .   .   108   ILE   N     .   52318   1    
     151   .   1   .   1   130   130   ALA   C     C   13   181.559   0.000   .   1   .   .   .   .   .   127   ALA   C     .   52318   1    
     152   .   1   .   1   130   130   ALA   CA    C   13   55.392    0.084   .   1   .   .   .   .   .   127   ALA   CA    .   52318   1    
     153   .   1   .   1   130   130   ALA   CB    C   13   18.424    0.104   .   1   .   .   .   .   .   127   ALA   CB    .   52318   1    
     154   .   1   .   1   131   131   ILE   H     H   1    7.603     0.003   .   1   .   .   .   .   .   128   ILE   H     .   52318   1    
     155   .   1   .   1   131   131   ILE   C     C   13   176.440   0.000   .   1   .   .   .   .   .   128   ILE   C     .   52318   1    
     156   .   1   .   1   131   131   ILE   CA    C   13   66.352    0.055   .   1   .   .   .   .   .   128   ILE   CA    .   52318   1    
     157   .   1   .   1   131   131   ILE   CB    C   13   39.154    0.000   .   1   .   .   .   .   .   128   ILE   CB    .   52318   1    
     158   .   1   .   1   131   131   ILE   N     N   15   122.126   0.045   .   1   .   .   .   .   .   128   ILE   N     .   52318   1    
     159   .   1   .   1   132   132   CYS   H     H   1    9.039     0.005   .   1   .   .   .   .   .   129   CYS   H     .   52318   1    
     160   .   1   .   1   132   132   CYS   C     C   13   177.320   0.012   .   1   .   .   .   .   .   129   CYS   C     .   52318   1    
     161   .   1   .   1   132   132   CYS   CA    C   13   63.090    0.082   .   1   .   .   .   .   .   129   CYS   CA    .   52318   1    
     162   .   1   .   1   132   132   CYS   CB    C   13   27.478    0.000   .   1   .   .   .   .   .   129   CYS   CB    .   52318   1    
     163   .   1   .   1   132   132   CYS   N     N   15   120.520   0.076   .   1   .   .   .   .   .   129   CYS   N     .   52318   1    
     164   .   1   .   1   133   133   ILE   H     H   1    8.900     0.004   .   1   .   .   .   .   .   130   ILE   H     .   52318   1    
     165   .   1   .   1   133   133   ILE   CA    C   13   67.584    0.000   .   1   .   .   .   .   .   130   ILE   CA    .   52318   1    
     166   .   1   .   1   133   133   ILE   CB    C   13   38.575    0.000   .   1   .   .   .   .   .   130   ILE   CB    .   52318   1    
     167   .   1   .   1   133   133   ILE   N     N   15   118.197   0.045   .   1   .   .   .   .   .   130   ILE   N     .   52318   1    
     168   .   1   .   1   139   139   HIS   C     C   13   179.274   0.026   .   1   .   .   .   .   .   136   HIS   C     .   52318   1    
     169   .   1   .   1   139   139   HIS   CA    C   13   59.941    0.047   .   1   .   .   .   .   .   136   HIS   CA    .   52318   1    
     170   .   1   .   1   139   139   HIS   CB    C   13   29.556    0.012   .   1   .   .   .   .   .   136   HIS   CB    .   52318   1    
     171   .   1   .   1   140   140   LEU   H     H   1    7.255     0.002   .   1   .   .   .   .   .   137   LEU   H     .   52318   1    
     172   .   1   .   1   140   140   LEU   C     C   13   179.308   0.000   .   1   .   .   .   .   .   137   LEU   C     .   52318   1    
     173   .   1   .   1   140   140   LEU   CA    C   13   56.139    0.059   .   1   .   .   .   .   .   137   LEU   CA    .   52318   1    
     174   .   1   .   1   140   140   LEU   CB    C   13   43.084    0.000   .   1   .   .   .   .   .   137   LEU   CB    .   52318   1    
     175   .   1   .   1   140   140   LEU   N     N   15   111.634   0.041   .   1   .   .   .   .   .   137   LEU   N     .   52318   1    
     176   .   1   .   1   141   141   VAL   H     H   1    7.723     0.001   .   1   .   .   .   .   .   138   VAL   H     .   52318   1    
     177   .   1   .   1   141   141   VAL   C     C   13   174.810   0.000   .   1   .   .   .   .   .   138   VAL   C     .   52318   1    
     178   .   1   .   1   141   141   VAL   CA    C   13   60.356    0.000   .   1   .   .   .   .   .   138   VAL   CA    .   52318   1    
     179   .   1   .   1   141   141   VAL   CB    C   13   30.429    0.000   .   1   .   .   .   .   .   138   VAL   CB    .   52318   1    
     180   .   1   .   1   141   141   VAL   N     N   15   112.095   0.023   .   1   .   .   .   .   .   138   VAL   N     .   52318   1    
     181   .   1   .   1   147   147   ASP   C     C   13   177.625   0.000   .   1   .   .   .   .   .   144   ASP   C     .   52318   1    
     182   .   1   .   1   148   148   TYR   H     H   1    7.292     0.004   .   1   .   .   .   .   .   145   TYR   H     .   52318   1    
     183   .   1   .   1   148   148   TYR   C     C   13   175.767   0.002   .   1   .   .   .   .   .   145   TYR   C     .   52318   1    
     184   .   1   .   1   148   148   TYR   CA    C   13   59.922    0.110   .   1   .   .   .   .   .   145   TYR   CA    .   52318   1    
     185   .   1   .   1   148   148   TYR   CB    C   13   38.217    0.018   .   1   .   .   .   .   .   145   TYR   CB    .   52318   1    
     186   .   1   .   1   148   148   TYR   N     N   15   114.946   0.044   .   1   .   .   .   .   .   145   TYR   N     .   52318   1    
     187   .   1   .   1   149   149   LEU   H     H   1    7.383     0.001   .   1   .   .   .   .   .   146   LEU   H     .   52318   1    
     188   .   1   .   1   149   149   LEU   C     C   13   176.151   0.004   .   1   .   .   .   .   .   146   LEU   C     .   52318   1    
     189   .   1   .   1   149   149   LEU   CA    C   13   54.807    0.028   .   1   .   .   .   .   .   146   LEU   CA    .   52318   1    
     190   .   1   .   1   149   149   LEU   CB    C   13   41.963    0.069   .   1   .   .   .   .   .   146   LEU   CB    .   52318   1    
     191   .   1   .   1   149   149   LEU   CG    C   13   27.986    0.000   .   1   .   .   .   .   .   146   LEU   CG    .   52318   1    
     192   .   1   .   1   149   149   LEU   CD1   C   13   25.214    0.000   .   2   .   .   .   .   .   146   LEU   CD1   .   52318   1    
     193   .   1   .   1   149   149   LEU   CD2   C   13   22.930    0.000   .   2   .   .   .   .   .   146   LEU   CD2   .   52318   1    
     194   .   1   .   1   149   149   LEU   N     N   15   120.299   0.228   .   1   .   .   .   .   .   146   LEU   N     .   52318   1    
     195   .   1   .   1   150   150   SER   H     H   1    7.570     0.002   .   1   .   .   .   .   .   147   SER   H     .   52318   1    
     196   .   1   .   1   150   150   SER   C     C   13   178.438   0.000   .   1   .   .   .   .   .   147   SER   C     .   52318   1    
     197   .   1   .   1   150   150   SER   CA    C   13   60.074    0.000   .   1   .   .   .   .   .   147   SER   CA    .   52318   1    
     198   .   1   .   1   150   150   SER   CB    C   13   64.977    0.000   .   1   .   .   .   .   .   147   SER   CB    .   52318   1    
     199   .   1   .   1   150   150   SER   N     N   15   120.878   0.035   .   1   .   .   .   .   .   147   SER   N     .   52318   1    

   stop_

save_