###################################
     #  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                     31097
   _Assigned_chem_shift_list.ID                           1
   _Assigned_chem_shift_list.Name                         .
   _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

     1   '2D 1H-15N HSQC'    .   .   .   31097   1    
     2   '3D 1H-15N NOESY'   .   .   .   31097   1    
     3   '3D HNCACB'         .   .   .   31097   1    
     4   '3D CBCA(CO)NH'     .   .   .   31097   1    
     5   '3D HNCO'           .   .   .   31097   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   18   18   ALA   C    C   13   181.065   .   .   .   .   .   .   .   A   14   ALA   C    .   31097   1    
     2     .   1   .   1   19   19   LYS   H    H   1    7.629     .   .   .   .   .   .   .   A   15   LYS   H    .   31097   1    
     3     .   1   .   1   19   19   LYS   C    C   13   178.548   .   .   .   .   .   .   .   A   15   LYS   C    .   31097   1    
     4     .   1   .   1   19   19   LYS   CA   C   13   60.106    .   .   .   .   .   .   .   A   15   LYS   CA   .   31097   1    
     5     .   1   .   1   19   19   LYS   CB   C   13   32.074    .   .   .   .   .   .   .   A   15   LYS   CB   .   31097   1    
     6     .   1   .   1   19   19   LYS   N    N   15   119.748   .   .   .   .   .   .   .   A   15   LYS   N    .   31097   1    
     7     .   1   .   1   20   20   CYS   H    H   1    7.864     .   .   .   .   .   .   .   A   16   CYS   H    .   31097   1    
     8     .   1   .   1   20   20   CYS   C    C   13   176.791   .   .   .   .   .   .   .   A   16   CYS   C    .   31097   1    
     9     .   1   .   1   20   20   CYS   CA   C   13   64.418    .   .   .   .   .   .   .   A   16   CYS   CA   .   31097   1    
     10    .   1   .   1   20   20   CYS   CB   C   13   26.983    .   .   .   .   .   .   .   A   16   CYS   CB   .   31097   1    
     11    .   1   .   1   20   20   CYS   N    N   15   116.645   .   .   .   .   .   .   .   A   16   CYS   N    .   31097   1    
     12    .   1   .   1   21   21   TRP   H    H   1    7.990     .   .   .   .   .   .   .   A   17   TRP   H    .   31097   1    
     13    .   1   .   1   21   21   TRP   C    C   13   177.916   .   .   .   .   .   .   .   A   17   TRP   C    .   31097   1    
     14    .   1   .   1   21   21   TRP   CA   C   13   56.986    .   .   .   .   .   .   .   A   17   TRP   CA   .   31097   1    
     15    .   1   .   1   21   21   TRP   CB   C   13   29.105    .   .   .   .   .   .   .   A   17   TRP   CB   .   31097   1    
     16    .   1   .   1   21   21   TRP   N    N   15   117.977   .   .   .   .   .   .   .   A   17   TRP   N    .   31097   1    
     17    .   1   .   1   22   22   ALA   H    H   1    7.577     .   .   .   .   .   .   .   A   18   ALA   H    .   31097   1    
     18    .   1   .   1   22   22   ALA   C    C   13   177.876   .   .   .   .   .   .   .   A   18   ALA   C    .   31097   1    
     19    .   1   .   1   22   22   ALA   CA   C   13   53.195    .   .   .   .   .   .   .   A   18   ALA   CA   .   31097   1    
     20    .   1   .   1   22   22   ALA   CB   C   13   20.172    .   .   .   .   .   .   .   A   18   ALA   CB   .   31097   1    
     21    .   1   .   1   22   22   ALA   N    N   15   118.709   .   .   .   .   .   .   .   A   18   ALA   N    .   31097   1    
     22    .   1   .   1   23   23   ASP   H    H   1    8.155     .   .   .   .   .   .   .   A   19   ASP   H    .   31097   1    
     23    .   1   .   1   23   23   ASP   C    C   13   174.634   .   .   .   .   .   .   .   A   19   ASP   C    .   31097   1    
     24    .   1   .   1   23   23   ASP   CA   C   13   53.168    .   .   .   .   .   .   .   A   19   ASP   CA   .   31097   1    
     25    .   1   .   1   23   23   ASP   CB   C   13   42.063    .   .   .   .   .   .   .   A   19   ASP   CB   .   31097   1    
     26    .   1   .   1   23   23   ASP   N    N   15   119.547   .   .   .   .   .   .   .   A   19   ASP   N    .   31097   1    
     27    .   1   .   1   24   24   ALA   H    H   1    8.858     .   .   .   .   .   .   .   A   20   ALA   H    .   31097   1    
     28    .   1   .   1   24   24   ALA   C    C   13   181.068   .   .   .   .   .   .   .   A   20   ALA   C    .   31097   1    
     29    .   1   .   1   24   24   ALA   CA   C   13   55.079    .   .   .   .   .   .   .   A   20   ALA   CA   .   31097   1    
     30    .   1   .   1   24   24   ALA   CB   C   13   18.652    .   .   .   .   .   .   .   A   20   ALA   CB   .   31097   1    
     31    .   1   .   1   24   24   ALA   N    N   15   127.632   .   .   .   .   .   .   .   A   20   ALA   N    .   31097   1    
     32    .   1   .   1   25   25   GLU   H    H   1    8.372     .   .   .   .   .   .   .   A   21   GLU   H    .   31097   1    
     33    .   1   .   1   25   25   GLU   C    C   13   178.891   .   .   .   .   .   .   .   A   21   GLU   C    .   31097   1    
     34    .   1   .   1   25   25   GLU   CA   C   13   56.981    .   .   .   .   .   .   .   A   21   GLU   CA   .   31097   1    
     35    .   1   .   1   25   25   GLU   CB   C   13   30.204    .   .   .   .   .   .   .   A   21   GLU   CB   .   31097   1    
     36    .   1   .   1   25   25   GLU   N    N   15   119.841   .   .   .   .   .   .   .   A   21   GLU   N    .   31097   1    
     37    .   1   .   1   26   26   PHE   H    H   1    7.894     .   .   .   .   .   .   .   A   22   PHE   H    .   31097   1    
     38    .   1   .   1   26   26   PHE   C    C   13   176.456   .   .   .   .   .   .   .   A   22   PHE   C    .   31097   1    
     39    .   1   .   1   26   26   PHE   CA   C   13   61.748    .   .   .   .   .   .   .   A   22   PHE   CA   .   31097   1    
     40    .   1   .   1   26   26   PHE   CB   C   13   38.763    .   .   .   .   .   .   .   A   22   PHE   CB   .   31097   1    
     41    .   1   .   1   26   26   PHE   N    N   15   123.188   .   .   .   .   .   .   .   A   22   PHE   N    .   31097   1    
     42    .   1   .   1   27   27   LYS   H    H   1    8.216     .   .   .   .   .   .   .   A   23   LYS   H    .   31097   1    
     43    .   1   .   1   27   27   LYS   C    C   13   177.125   .   .   .   .   .   .   .   A   23   LYS   C    .   31097   1    
     44    .   1   .   1   27   27   LYS   CA   C   13   60.357    .   .   .   .   .   .   .   A   23   LYS   CA   .   31097   1    
     45    .   1   .   1   27   27   LYS   CB   C   13   31.932    .   .   .   .   .   .   .   A   23   LYS   CB   .   31097   1    
     46    .   1   .   1   27   27   LYS   N    N   15   118.399   .   .   .   .   .   .   .   A   23   LYS   N    .   31097   1    
     47    .   1   .   1   28   28   ALA   H    H   1    7.650     .   .   .   .   .   .   .   A   24   ALA   H    .   31097   1    
     48    .   1   .   1   28   28   ALA   C    C   13   181.163   .   .   .   .   .   .   .   A   24   ALA   C    .   31097   1    
     49    .   1   .   1   28   28   ALA   CA   C   13   55.117    .   .   .   .   .   .   .   A   24   ALA   CA   .   31097   1    
     50    .   1   .   1   28   28   ALA   CB   C   13   17.955    .   .   .   .   .   .   .   A   24   ALA   CB   .   31097   1    
     51    .   1   .   1   28   28   ALA   N    N   15   117.426   .   .   .   .   .   .   .   A   24   ALA   N    .   31097   1    
     52    .   1   .   1   29   29   LYS   H    H   1    7.759     .   .   .   .   .   .   .   A   25   LYS   H    .   31097   1    
     53    .   1   .   1   29   29   LYS   C    C   13   178.313   .   .   .   .   .   .   .   A   25   LYS   C    .   31097   1    
     54    .   1   .   1   29   29   LYS   CA   C   13   59.593    .   .   .   .   .   .   .   A   25   LYS   CA   .   31097   1    
     55    .   1   .   1   29   29   LYS   CB   C   13   31.993    .   .   .   .   .   .   .   A   25   LYS   CB   .   31097   1    
     56    .   1   .   1   29   29   LYS   N    N   15   120.470   .   .   .   .   .   .   .   A   25   LYS   N    .   31097   1    
     57    .   1   .   1   30   30   LEU   H    H   1    8.219     .   .   .   .   .   .   .   A   26   LEU   H    .   31097   1    
     58    .   1   .   1   30   30   LEU   C    C   13   176.429   .   .   .   .   .   .   .   A   26   LEU   C    .   31097   1    
     59    .   1   .   1   30   30   LEU   CA   C   13   57.861    .   .   .   .   .   .   .   A   26   LEU   CA   .   31097   1    
     60    .   1   .   1   30   30   LEU   CB   C   13   41.181    .   .   .   .   .   .   .   A   26   LEU   CB   .   31097   1    
     61    .   1   .   1   30   30   LEU   N    N   15   121.734   .   .   .   .   .   .   .   A   26   LEU   N    .   31097   1    
     62    .   1   .   1   31   31   ILE   H    H   1    7.729     .   .   .   .   .   .   .   A   27   ILE   H    .   31097   1    
     63    .   1   .   1   31   31   ILE   C    C   13   178.531   .   .   .   .   .   .   .   A   27   ILE   C    .   31097   1    
     64    .   1   .   1   31   31   ILE   CA   C   13   65.160    .   .   .   .   .   .   .   A   27   ILE   CA   .   31097   1    
     65    .   1   .   1   31   31   ILE   CB   C   13   38.715    .   .   .   .   .   .   .   A   27   ILE   CB   .   31097   1    
     66    .   1   .   1   31   31   ILE   N    N   15   113.712   .   .   .   .   .   .   .   A   27   ILE   N    .   31097   1    
     67    .   1   .   1   32   32   ALA   H    H   1    7.676     .   .   .   .   .   .   .   A   28   ALA   H    .   31097   1    
     68    .   1   .   1   32   32   ALA   CA   C   13   54.608    .   .   .   .   .   .   .   A   28   ALA   CA   .   31097   1    
     69    .   1   .   1   32   32   ALA   CB   C   13   18.940    .   .   .   .   .   .   .   A   28   ALA   CB   .   31097   1    
     70    .   1   .   1   32   32   ALA   N    N   15   120.004   .   .   .   .   .   .   .   A   28   ALA   N    .   31097   1    
     71    .   1   .   1   34   34   PRO   C    C   13   178.953   .   .   .   .   .   .   .   A   30   PRO   C    .   31097   1    
     72    .   1   .   1   35   35   LYS   H    H   1    8.371     .   .   .   .   .   .   .   A   31   LYS   H    .   31097   1    
     73    .   1   .   1   35   35   LYS   C    C   13   179.457   .   .   .   .   .   .   .   A   31   LYS   C    .   31097   1    
     74    .   1   .   1   35   35   LYS   CA   C   13   61.214    .   .   .   .   .   .   .   A   31   LYS   CA   .   31097   1    
     75    .   1   .   1   35   35   LYS   CB   C   13   32.070    .   .   .   .   .   .   .   A   31   LYS   CB   .   31097   1    
     76    .   1   .   1   35   35   LYS   N    N   15   116.116   .   .   .   .   .   .   .   A   31   LYS   N    .   31097   1    
     77    .   1   .   1   36   36   ALA   H    H   1    7.796     .   .   .   .   .   .   .   A   32   ALA   H    .   31097   1    
     78    .   1   .   1   36   36   ALA   C    C   13   181.265   .   .   .   .   .   .   .   A   32   ALA   C    .   31097   1    
     79    .   1   .   1   36   36   ALA   CA   C   13   54.705    .   .   .   .   .   .   .   A   32   ALA   CA   .   31097   1    
     80    .   1   .   1   36   36   ALA   CB   C   13   18.900    .   .   .   .   .   .   .   A   32   ALA   CB   .   31097   1    
     81    .   1   .   1   36   36   ALA   N    N   15   121.088   .   .   .   .   .   .   .   A   32   ALA   N    .   31097   1    
     82    .   1   .   1   37   37   THR   H    H   1    8.005     .   .   .   .   .   .   .   A   33   THR   H    .   31097   1    
     83    .   1   .   1   37   37   THR   CA   C   13   63.250    .   .   .   .   .   .   .   A   33   THR   CA   .   31097   1    
     84    .   1   .   1   37   37   THR   CB   C   13   68.232    .   .   .   .   .   .   .   A   33   THR   CB   .   31097   1    
     85    .   1   .   1   37   37   THR   N    N   15   116.962   .   .   .   .   .   .   .   A   33   THR   N    .   31097   1    
     86    .   1   .   1   39   39   ALA   C    C   13   182.139   .   .   .   .   .   .   .   A   35   ALA   C    .   31097   1    
     87    .   1   .   1   40   40   ALA   H    H   1    7.555     .   .   .   .   .   .   .   A   36   ALA   H    .   31097   1    
     88    .   1   .   1   40   40   ALA   C    C   13   178.785   .   .   .   .   .   .   .   A   36   ALA   C    .   31097   1    
     89    .   1   .   1   40   40   ALA   CA   C   13   54.470    .   .   .   .   .   .   .   A   36   ALA   CA   .   31097   1    
     90    .   1   .   1   40   40   ALA   CB   C   13   17.830    .   .   .   .   .   .   .   A   36   ALA   CB   .   31097   1    
     91    .   1   .   1   40   40   ALA   N    N   15   121.355   .   .   .   .   .   .   .   A   36   ALA   N    .   31097   1    
     92    .   1   .   1   41   41   GLU   H    H   1    7.453     .   .   .   .   .   .   .   A   37   GLU   H    .   31097   1    
     93    .   1   .   1   41   41   GLU   C    C   13   175.124   .   .   .   .   .   .   .   A   37   GLU   C    .   31097   1    
     94    .   1   .   1   41   41   GLU   CA   C   13   54.627    .   .   .   .   .   .   .   A   37   GLU   CA   .   31097   1    
     95    .   1   .   1   41   41   GLU   CB   C   13   29.546    .   .   .   .   .   .   .   A   37   GLU   CB   .   31097   1    
     96    .   1   .   1   41   41   GLU   N    N   15   117.469   .   .   .   .   .   .   .   A   37   GLU   N    .   31097   1    
     97    .   1   .   1   42   42   SER   H    H   1    7.853     .   .   .   .   .   .   .   A   38   SER   H    .   31097   1    
     98    .   1   .   1   42   42   SER   C    C   13   173.541   .   .   .   .   .   .   .   A   38   SER   C    .   31097   1    
     99    .   1   .   1   42   42   SER   CB   C   13   61.141    .   .   .   .   .   .   .   A   38   SER   CB   .   31097   1    
     100   .   1   .   1   42   42   SER   N    N   15   109.808   .   .   .   .   .   .   .   A   38   SER   N    .   31097   1    
     101   .   1   .   1   43   43   ILE   H    H   1    7.947     .   .   .   .   .   .   .   A   39   ILE   H    .   31097   1    
     102   .   1   .   1   43   43   ILE   C    C   13   174.084   .   .   .   .   .   .   .   A   39   ILE   C    .   31097   1    
     103   .   1   .   1   43   43   ILE   CA   C   13   60.518    .   .   .   .   .   .   .   A   39   ILE   CA   .   31097   1    
     104   .   1   .   1   43   43   ILE   CB   C   13   38.727    .   .   .   .   .   .   .   A   39   ILE   CB   .   31097   1    
     105   .   1   .   1   43   43   ILE   N    N   15   121.678   .   .   .   .   .   .   .   A   39   ILE   N    .   31097   1    
     106   .   1   .   1   44   44   ALA   H    H   1    8.436     .   .   .   .   .   .   .   A   40   ALA   H    .   31097   1    
     107   .   1   .   1   44   44   ALA   C    C   13   176.332   .   .   .   .   .   .   .   A   40   ALA   C    .   31097   1    
     108   .   1   .   1   44   44   ALA   CA   C   13   51.529    .   .   .   .   .   .   .   A   40   ALA   CA   .   31097   1    
     109   .   1   .   1   44   44   ALA   CB   C   13   18.989    .   .   .   .   .   .   .   A   40   ALA   CB   .   31097   1    
     110   .   1   .   1   44   44   ALA   N    N   15   130.608   .   .   .   .   .   .   .   A   40   ALA   N    .   31097   1    
     111   .   1   .   1   45   45   VAL   H    H   1    7.851     .   .   .   .   .   .   .   A   41   VAL   H    .   31097   1    
     112   .   1   .   1   45   45   VAL   CA   C   13   59.439    .   .   .   .   .   .   .   A   41   VAL   CA   .   31097   1    
     113   .   1   .   1   45   45   VAL   N    N   15   123.410   .   .   .   .   .   .   .   A   41   VAL   N    .   31097   1    
     114   .   1   .   1   46   46   PRO   C    C   13   176.849   .   .   .   .   .   .   .   A   42   PRO   C    .   31097   1    
     115   .   1   .   1   47   47   ASP   H    H   1    8.381     .   .   .   .   .   .   .   A   43   ASP   H    .   31097   1    
     116   .   1   .   1   47   47   ASP   C    C   13   176.925   .   .   .   .   .   .   .   A   43   ASP   C    .   31097   1    
     117   .   1   .   1   47   47   ASP   CA   C   13   54.976    .   .   .   .   .   .   .   A   43   ASP   CA   .   31097   1    
     118   .   1   .   1   47   47   ASP   CB   C   13   41.182    .   .   .   .   .   .   .   A   43   ASP   CB   .   31097   1    
     119   .   1   .   1   47   47   ASP   N    N   15   120.782   .   .   .   .   .   .   .   A   43   ASP   N    .   31097   1    
     120   .   1   .   1   48   48   GLY   H    H   1    8.358     .   .   .   .   .   .   .   A   44   GLY   H    .   31097   1    
     121   .   1   .   1   48   48   GLY   C    C   13   173.827   .   .   .   .   .   .   .   A   44   GLY   C    .   31097   1    
     122   .   1   .   1   48   48   GLY   CA   C   13   45.685    .   .   .   .   .   .   .   A   44   GLY   CA   .   31097   1    
     123   .   1   .   1   48   48   GLY   N    N   15   109.166   .   .   .   .   .   .   .   A   44   GLY   N    .   31097   1    
     124   .   1   .   1   49   49   ILE   H    H   1    7.095     .   .   .   .   .   .   .   A   45   ILE   H    .   31097   1    
     125   .   1   .   1   49   49   ILE   C    C   13   175.038   .   .   .   .   .   .   .   A   45   ILE   C    .   31097   1    
     126   .   1   .   1   49   49   ILE   CA   C   13   59.379    .   .   .   .   .   .   .   A   45   ILE   CA   .   31097   1    
     127   .   1   .   1   49   49   ILE   CB   C   13   39.570    .   .   .   .   .   .   .   A   45   ILE   CB   .   31097   1    
     128   .   1   .   1   49   49   ILE   N    N   15   117.189   .   .   .   .   .   .   .   A   45   ILE   N    .   31097   1    
     129   .   1   .   1   50   50   GLU   H    H   1    8.820     .   .   .   .   .   .   .   A   46   GLU   H    .   31097   1    
     130   .   1   .   1   50   50   GLU   C    C   13   173.838   .   .   .   .   .   .   .   A   46   GLU   C    .   31097   1    
     131   .   1   .   1   50   50   GLU   CA   C   13   55.123    .   .   .   .   .   .   .   A   46   GLU   CA   .   31097   1    
     132   .   1   .   1   50   50   GLU   CB   C   13   30.925    .   .   .   .   .   .   .   A   46   GLU   CB   .   31097   1    
     133   .   1   .   1   50   50   GLU   N    N   15   127.745   .   .   .   .   .   .   .   A   46   GLU   N    .   31097   1    
     134   .   1   .   1   51   51   LEU   H    H   1    8.346     .   .   .   .   .   .   .   A   47   LEU   H    .   31097   1    
     135   .   1   .   1   51   51   LEU   C    C   13   174.833   .   .   .   .   .   .   .   A   47   LEU   C    .   31097   1    
     136   .   1   .   1   51   51   LEU   CA   C   13   53.301    .   .   .   .   .   .   .   A   47   LEU   CA   .   31097   1    
     137   .   1   .   1   51   51   LEU   CB   C   13   45.041    .   .   .   .   .   .   .   A   47   LEU   CB   .   31097   1    
     138   .   1   .   1   51   51   LEU   N    N   15   126.219   .   .   .   .   .   .   .   A   47   LEU   N    .   31097   1    
     139   .   1   .   1   52   52   ARG   H    H   1    8.497     .   .   .   .   .   .   .   A   48   ARG   H    .   31097   1    
     140   .   1   .   1   52   52   ARG   C    C   13   174.067   .   .   .   .   .   .   .   A   48   ARG   C    .   31097   1    
     141   .   1   .   1   52   52   ARG   CA   C   13   55.163    .   .   .   .   .   .   .   A   48   ARG   CA   .   31097   1    
     142   .   1   .   1   52   52   ARG   CB   C   13   32.889    .   .   .   .   .   .   .   A   48   ARG   CB   .   31097   1    
     143   .   1   .   1   52   52   ARG   N    N   15   119.349   .   .   .   .   .   .   .   A   48   ARG   N    .   31097   1    
     144   .   1   .   1   53   53   VAL   H    H   1    8.576     .   .   .   .   .   .   .   A   49   VAL   H    .   31097   1    
     145   .   1   .   1   53   53   VAL   C    C   13   176.248   .   .   .   .   .   .   .   A   49   VAL   C    .   31097   1    
     146   .   1   .   1   53   53   VAL   CA   C   13   61.552    .   .   .   .   .   .   .   A   49   VAL   CA   .   31097   1    
     147   .   1   .   1   53   53   VAL   CB   C   13   32.656    .   .   .   .   .   .   .   A   49   VAL   CB   .   31097   1    
     148   .   1   .   1   53   53   VAL   N    N   15   123.151   .   .   .   .   .   .   .   A   49   VAL   N    .   31097   1    
     149   .   1   .   1   54   54   LEU   H    H   1    8.306     .   .   .   .   .   .   .   A   50   LEU   H    .   31097   1    
     150   .   1   .   1   54   54   LEU   C    C   13   177.345   .   .   .   .   .   .   .   A   50   LEU   C    .   31097   1    
     151   .   1   .   1   54   54   LEU   CA   C   13   55.384    .   .   .   .   .   .   .   A   50   LEU   CA   .   31097   1    
     152   .   1   .   1   54   54   LEU   CB   C   13   42.368    .   .   .   .   .   .   .   A   50   LEU   CB   .   31097   1    
     153   .   1   .   1   54   54   LEU   N    N   15   125.953   .   .   .   .   .   .   .   A   50   LEU   N    .   31097   1    
     154   .   1   .   1   55   55   GLU   H    H   1    8.383     .   .   .   .   .   .   .   A   51   GLU   H    .   31097   1    
     155   .   1   .   1   55   55   GLU   CA   C   13   57.017    .   .   .   .   .   .   .   A   51   GLU   CA   .   31097   1    
     156   .   1   .   1   55   55   GLU   CB   C   13   30.296    .   .   .   .   .   .   .   A   51   GLU   CB   .   31097   1    
     157   .   1   .   1   55   55   GLU   N    N   15   121.570   .   .   .   .   .   .   .   A   51   GLU   N    .   31097   1    
     158   .   1   .   1   57   57   THR   C    C   13   174.152   .   .   .   .   .   .   .   A   53   THR   C    .   31097   1    
     159   .   1   .   1   58   58   ALA   H    H   1    8.639     .   .   .   .   .   .   .   A   54   ALA   H    .   31097   1    
     160   .   1   .   1   58   58   ALA   C    C   13   178.764   .   .   .   .   .   .   .   A   54   ALA   C    .   31097   1    
     161   .   1   .   1   58   58   ALA   CA   C   13   54.608    .   .   .   .   .   .   .   A   54   ALA   CA   .   31097   1    
     162   .   1   .   1   58   58   ALA   CB   C   13   18.816    .   .   .   .   .   .   .   A   54   ALA   CB   .   31097   1    
     163   .   1   .   1   58   58   ALA   N    N   15   119.118   .   .   .   .   .   .   .   A   54   ALA   N    .   31097   1    
     164   .   1   .   1   59   59   THR   H    H   1    7.879     .   .   .   .   .   .   .   A   55   THR   H    .   31097   1    
     165   .   1   .   1   59   59   THR   C    C   13   173.749   .   .   .   .   .   .   .   A   55   THR   C    .   31097   1    
     166   .   1   .   1   59   59   THR   CA   C   13   61.336    .   .   .   .   .   .   .   A   55   THR   CA   .   31097   1    
     167   .   1   .   1   59   59   THR   CB   C   13   70.197    .   .   .   .   .   .   .   A   55   THR   CB   .   31097   1    
     168   .   1   .   1   59   59   THR   N    N   15   102.621   .   .   .   .   .   .   .   A   55   THR   N    .   31097   1    
     169   .   1   .   1   60   60   VAL   H    H   1    7.529     .   .   .   .   .   .   .   A   56   VAL   H    .   31097   1    
     170   .   1   .   1   60   60   VAL   C    C   13   175.160   .   .   .   .   .   .   .   A   56   VAL   C    .   31097   1    
     171   .   1   .   1   60   60   VAL   CA   C   13   62.589    .   .   .   .   .   .   .   A   56   VAL   CA   .   31097   1    
     172   .   1   .   1   60   60   VAL   CB   C   13   34.074    .   .   .   .   .   .   .   A   56   VAL   CB   .   31097   1    
     173   .   1   .   1   60   60   VAL   N    N   15   125.144   .   .   .   .   .   .   .   A   56   VAL   N    .   31097   1    
     174   .   1   .   1   61   61   VAL   H    H   1    7.812     .   .   .   .   .   .   .   A   57   VAL   H    .   31097   1    
     175   .   1   .   1   61   61   VAL   CA   C   13   58.659    .   .   .   .   .   .   .   A   57   VAL   CA   .   31097   1    
     176   .   1   .   1   61   61   VAL   CB   C   13   29.539    .   .   .   .   .   .   .   A   57   VAL   CB   .   31097   1    
     177   .   1   .   1   61   61   VAL   N    N   15   126.389   .   .   .   .   .   .   .   A   57   VAL   N    .   31097   1    
     178   .   1   .   1   62   62   ASN   C    C   13   176.272   .   .   .   .   .   .   .   A   58   ASN   C    .   31097   1    
     179   .   1   .   1   63   63   LEU   H    H   1    8.248     .   .   .   .   .   .   .   A   59   LEU   H    .   31097   1    
     180   .   1   .   1   63   63   LEU   C    C   13   176.704   .   .   .   .   .   .   .   A   59   LEU   C    .   31097   1    
     181   .   1   .   1   63   63   LEU   CA   C   13   55.652    .   .   .   .   .   .   .   A   59   LEU   CA   .   31097   1    
     182   .   1   .   1   63   63   LEU   CB   C   13   42.233    .   .   .   .   .   .   .   A   59   LEU   CB   .   31097   1    
     183   .   1   .   1   63   63   LEU   N    N   15   123.740   .   .   .   .   .   .   .   A   59   LEU   N    .   31097   1    
     184   .   1   .   1   64   64   VAL   H    H   1    8.175     .   .   .   .   .   .   .   A   60   VAL   H    .   31097   1    
     185   .   1   .   1   64   64   VAL   C    C   13   174.386   .   .   .   .   .   .   .   A   60   VAL   C    .   31097   1    
     186   .   1   .   1   64   64   VAL   CA   C   13   62.345    .   .   .   .   .   .   .   A   60   VAL   CA   .   31097   1    
     187   .   1   .   1   64   64   VAL   CB   C   13   32.590    .   .   .   .   .   .   .   A   60   VAL   CB   .   31097   1    
     188   .   1   .   1   64   64   VAL   N    N   15   122.608   .   .   .   .   .   .   .   A   60   VAL   N    .   31097   1    
     189   .   1   .   1   65   65   LEU   H    H   1    8.296     .   .   .   .   .   .   .   A   61   LEU   H    .   31097   1    
     190   .   1   .   1   65   65   LEU   CA   C   13   52.721    .   .   .   .   .   .   .   A   61   LEU   CA   .   31097   1    
     191   .   1   .   1   65   65   LEU   CB   C   13   42.360    .   .   .   .   .   .   .   A   61   LEU   CB   .   31097   1    
     192   .   1   .   1   65   65   LEU   N    N   15   126.110   .   .   .   .   .   .   .   A   61   LEU   N    .   31097   1    
     193   .   1   .   1   69   69   PRO   C    C   13   176.569   .   .   .   .   .   .   .   A   65   PRO   C    .   31097   1    
     194   .   1   .   1   70   70   ALA   H    H   1    8.279     .   .   .   .   .   .   .   A   66   ALA   H    .   31097   1    
     195   .   1   .   1   70   70   ALA   C    C   13   177.707   .   .   .   .   .   .   .   A   66   ALA   C    .   31097   1    
     196   .   1   .   1   70   70   ALA   CA   C   13   52.178    .   .   .   .   .   .   .   A   66   ALA   CA   .   31097   1    
     197   .   1   .   1   70   70   ALA   CB   C   13   19.374    .   .   .   .   .   .   .   A   66   ALA   CB   .   31097   1    
     198   .   1   .   1   70   70   ALA   N    N   15   124.636   .   .   .   .   .   .   .   A   66   ALA   N    .   31097   1    
     199   .   1   .   1   71   71   GLU   H    H   1    8.361     .   .   .   .   .   .   .   A   67   GLU   H    .   31097   1    
     200   .   1   .   1   71   71   GLU   C    C   13   177.118   .   .   .   .   .   .   .   A   67   GLU   C    .   31097   1    
     201   .   1   .   1   71   71   GLU   CA   C   13   56.981    .   .   .   .   .   .   .   A   67   GLU   CA   .   31097   1    
     202   .   1   .   1   71   71   GLU   CB   C   13   30.098    .   .   .   .   .   .   .   A   67   GLU   CB   .   31097   1    
     203   .   1   .   1   71   71   GLU   N    N   15   119.882   .   .   .   .   .   .   .   A   67   GLU   N    .   31097   1    
     204   .   1   .   1   72   72   GLY   H    H   1    8.421     .   .   .   .   .   .   .   A   68   GLY   H    .   31097   1    
     205   .   1   .   1   72   72   GLY   C    C   13   173.964   .   .   .   .   .   .   .   A   68   GLY   C    .   31097   1    
     206   .   1   .   1   72   72   GLY   CA   C   13   45.219    .   .   .   .   .   .   .   A   68   GLY   CA   .   31097   1    
     207   .   1   .   1   72   72   GLY   N    N   15   110.339   .   .   .   .   .   .   .   A   68   GLY   N    .   31097   1    
     208   .   1   .   1   73   73   GLU   H    H   1    8.122     .   .   .   .   .   .   .   A   69   GLU   H    .   31097   1    
     209   .   1   .   1   73   73   GLU   C    C   13   176.434   .   .   .   .   .   .   .   A   69   GLU   C    .   31097   1    
     210   .   1   .   1   73   73   GLU   CA   C   13   56.450    .   .   .   .   .   .   .   A   69   GLU   CA   .   31097   1    
     211   .   1   .   1   73   73   GLU   CB   C   13   30.477    .   .   .   .   .   .   .   A   69   GLU   CB   .   31097   1    
     212   .   1   .   1   73   73   GLU   N    N   15   120.178   .   .   .   .   .   .   .   A   69   GLU   N    .   31097   1    
     213   .   1   .   1   74   74   LEU   H    H   1    8.347     .   .   .   .   .   .   .   A   70   LEU   H    .   31097   1    
     214   .   1   .   1   74   74   LEU   C    C   13   177.239   .   .   .   .   .   .   .   A   70   LEU   C    .   31097   1    
     215   .   1   .   1   74   74   LEU   CA   C   13   55.102    .   .   .   .   .   .   .   A   70   LEU   CA   .   31097   1    
     216   .   1   .   1   74   74   LEU   CB   C   13   42.606    .   .   .   .   .   .   .   A   70   LEU   CB   .   31097   1    
     217   .   1   .   1   74   74   LEU   N    N   15   123.190   .   .   .   .   .   .   .   A   70   LEU   N    .   31097   1    
     218   .   1   .   1   75   75   SER   H    H   1    8.616     .   .   .   .   .   .   .   A   71   SER   H    .   31097   1    
     219   .   1   .   1   75   75   SER   C    C   13   174.596   .   .   .   .   .   .   .   A   71   SER   C    .   31097   1    
     220   .   1   .   1   75   75   SER   CA   C   13   58.007    .   .   .   .   .   .   .   A   71   SER   CA   .   31097   1    
     221   .   1   .   1   75   75   SER   CB   C   13   64.541    .   .   .   .   .   .   .   A   71   SER   CB   .   31097   1    
     222   .   1   .   1   75   75   SER   N    N   15   117.674   .   .   .   .   .   .   .   A   71   SER   N    .   31097   1    
     223   .   1   .   1   76   76   ASP   H    H   1    8.533     .   .   .   .   .   .   .   A   72   ASP   H    .   31097   1    
     224   .   1   .   1   76   76   ASP   C    C   13   177.147   .   .   .   .   .   .   .   A   72   ASP   C    .   31097   1    
     225   .   1   .   1   76   76   ASP   CA   C   13   55.501    .   .   .   .   .   .   .   A   72   ASP   CA   .   31097   1    
     226   .   1   .   1   76   76   ASP   CB   C   13   40.865    .   .   .   .   .   .   .   A   72   ASP   CB   .   31097   1    
     227   .   1   .   1   76   76   ASP   N    N   15   122.579   .   .   .   .   .   .   .   A   72   ASP   N    .   31097   1    
     228   .   1   .   1   77   77   GLU   H    H   1    8.415     .   .   .   .   .   .   .   A   73   GLU   H    .   31097   1    
     229   .   1   .   1   77   77   GLU   C    C   13   176.905   .   .   .   .   .   .   .   A   73   GLU   C    .   31097   1    
     230   .   1   .   1   77   77   GLU   CA   C   13   57.647    .   .   .   .   .   .   .   A   73   GLU   CA   .   31097   1    
     231   .   1   .   1   77   77   GLU   CB   C   13   30.059    .   .   .   .   .   .   .   A   73   GLU   CB   .   31097   1    
     232   .   1   .   1   77   77   GLU   N    N   15   120.461   .   .   .   .   .   .   .   A   73   GLU   N    .   31097   1    
     233   .   1   .   1   78   78   ASP   H    H   1    8.215     .   .   .   .   .   .   .   A   74   ASP   H    .   31097   1    
     234   .   1   .   1   78   78   ASP   C    C   13   177.035   .   .   .   .   .   .   .   A   74   ASP   C    .   31097   1    
     235   .   1   .   1   78   78   ASP   CA   C   13   55.091    .   .   .   .   .   .   .   A   74   ASP   CA   .   31097   1    
     236   .   1   .   1   78   78   ASP   CB   C   13   41.234    .   .   .   .   .   .   .   A   74   ASP   CB   .   31097   1    
     237   .   1   .   1   78   78   ASP   N    N   15   121.049   .   .   .   .   .   .   .   A   74   ASP   N    .   31097   1    
     238   .   1   .   1   79   79   LEU   H    H   1    8.235     .   .   .   .   .   .   .   A   75   LEU   H    .   31097   1    
     239   .   1   .   1   79   79   LEU   C    C   13   178.547   .   .   .   .   .   .   .   A   75   LEU   C    .   31097   1    
     240   .   1   .   1   79   79   LEU   CA   C   13   56.291    .   .   .   .   .   .   .   A   75   LEU   CA   .   31097   1    
     241   .   1   .   1   79   79   LEU   CB   C   13   41.821    .   .   .   .   .   .   .   A   75   LEU   CB   .   31097   1    
     242   .   1   .   1   79   79   LEU   N    N   15   122.598   .   .   .   .   .   .   .   A   75   LEU   N    .   31097   1    
     243   .   1   .   1   80   80   GLY   H    H   1    8.392     .   .   .   .   .   .   .   A   76   GLY   H    .   31097   1    
     244   .   1   .   1   80   80   GLY   C    C   13   174.561   .   .   .   .   .   .   .   A   76   GLY   C    .   31097   1    
     245   .   1   .   1   80   80   GLY   CA   C   13   45.798    .   .   .   .   .   .   .   A   76   GLY   CA   .   31097   1    
     246   .   1   .   1   80   80   GLY   N    N   15   108.127   .   .   .   .   .   .   .   A   76   GLY   N    .   31097   1    
     247   .   1   .   1   81   81   ALA   H    H   1    7.931     .   .   .   .   .   .   .   A   77   ALA   H    .   31097   1    
     248   .   1   .   1   81   81   ALA   C    C   13   178.112   .   .   .   .   .   .   .   A   77   ALA   C    .   31097   1    
     249   .   1   .   1   81   81   ALA   CA   C   13   53.028    .   .   .   .   .   .   .   A   77   ALA   CA   .   31097   1    
     250   .   1   .   1   81   81   ALA   CB   C   13   19.163    .   .   .   .   .   .   .   A   77   ALA   CB   .   31097   1    
     251   .   1   .   1   81   81   ALA   N    N   15   123.123   .   .   .   .   .   .   .   A   77   ALA   N    .   31097   1    
     252   .   1   .   1   82   82   VAL   H    H   1    8.083     .   .   .   .   .   .   .   A   78   VAL   H    .   31097   1    
     253   .   1   .   1   82   82   VAL   C    C   13   176.816   .   .   .   .   .   .   .   A   78   VAL   C    .   31097   1    
     254   .   1   .   1   82   82   VAL   CA   C   13   62.618    .   .   .   .   .   .   .   A   78   VAL   CA   .   31097   1    
     255   .   1   .   1   82   82   VAL   CB   C   13   32.586    .   .   .   .   .   .   .   A   78   VAL   CB   .   31097   1    
     256   .   1   .   1   82   82   VAL   N    N   15   118.916   .   .   .   .   .   .   .   A   78   VAL   N    .   31097   1    
     257   .   1   .   1   83   83   THR   H    H   1    8.213     .   .   .   .   .   .   .   A   79   THR   H    .   31097   1    
     258   .   1   .   1   83   83   THR   C    C   13   175.377   .   .   .   .   .   .   .   A   79   THR   C    .   31097   1    
     259   .   1   .   1   83   83   THR   CA   C   13   62.344    .   .   .   .   .   .   .   A   79   THR   CA   .   31097   1    
     260   .   1   .   1   83   83   THR   CB   C   13   69.977    .   .   .   .   .   .   .   A   79   THR   CB   .   31097   1    
     261   .   1   .   1   83   83   THR   N    N   15   117.105   .   .   .   .   .   .   .   A   79   THR   N    .   31097   1    
     262   .   1   .   1   84   84   GLY   H    H   1    8.283     .   .   .   .   .   .   .   A   80   GLY   H    .   31097   1    
     263   .   1   .   1   84   84   GLY   C    C   13   174.594   .   .   .   .   .   .   .   A   80   GLY   C    .   31097   1    
     264   .   1   .   1   84   84   GLY   CA   C   13   45.689    .   .   .   .   .   .   .   A   80   GLY   CA   .   31097   1    
     265   .   1   .   1   84   84   GLY   N    N   15   110.610   .   .   .   .   .   .   .   A   80   GLY   N    .   31097   1    
     266   .   1   .   1   85   85   GLY   H    H   1    8.222     .   .   .   .   .   .   .   A   81   GLY   H    .   31097   1    
     267   .   1   .   1   85   85   GLY   C    C   13   173.959   .   .   .   .   .   .   .   A   81   GLY   C    .   31097   1    
     268   .   1   .   1   85   85   GLY   CA   C   13   45.372    .   .   .   .   .   .   .   A   81   GLY   CA   .   31097   1    
     269   .   1   .   1   85   85   GLY   N    N   15   108.194   .   .   .   .   .   .   .   A   81   GLY   N    .   31097   1    
     270   .   1   .   1   86   86   LEU   H    H   1    8.023     .   .   .   .   .   .   .   A   82   LEU   H    .   31097   1    
     271   .   1   .   1   86   86   LEU   C    C   13   177.239   .   .   .   .   .   .   .   A   82   LEU   C    .   31097   1    
     272   .   1   .   1   86   86   LEU   CA   C   13   55.209    .   .   .   .   .   .   .   A   82   LEU   CA   .   31097   1    
     273   .   1   .   1   86   86   LEU   CB   C   13   42.568    .   .   .   .   .   .   .   A   82   LEU   CB   .   31097   1    
     274   .   1   .   1   86   86   LEU   N    N   15   121.095   .   .   .   .   .   .   .   A   82   LEU   N    .   31097   1    
     275   .   1   .   1   87   87   THR   H    H   1    8.167     .   .   .   .   .   .   .   A   83   THR   H    .   31097   1    
     276   .   1   .   1   87   87   THR   C    C   13   174.097   .   .   .   .   .   .   .   A   83   THR   C    .   31097   1    
     277   .   1   .   1   87   87   THR   CA   C   13   62.438    .   .   .   .   .   .   .   A   83   THR   CA   .   31097   1    
     278   .   1   .   1   87   87   THR   CB   C   13   69.840    .   .   .   .   .   .   .   A   83   THR   CB   .   31097   1    
     279   .   1   .   1   87   87   THR   N    N   15   114.984   .   .   .   .   .   .   .   A   83   THR   N    .   31097   1    
     280   .   1   .   1   88   88   VAL   H    H   1    8.135     .   .   .   .   .   .   .   A   84   VAL   H    .   31097   1    
     281   .   1   .   1   88   88   VAL   C    C   13   175.605   .   .   .   .   .   .   .   A   84   VAL   C    .   31097   1    
     282   .   1   .   1   88   88   VAL   CA   C   13   62.432    .   .   .   .   .   .   .   A   84   VAL   CA   .   31097   1    
     283   .   1   .   1   88   88   VAL   CB   C   13   32.748    .   .   .   .   .   .   .   A   84   VAL   CB   .   31097   1    
     284   .   1   .   1   88   88   VAL   N    N   15   123.524   .   .   .   .   .   .   .   A   84   VAL   N    .   31097   1    
     285   .   1   .   1   89   89   LEU   H    H   1    8.340     .   .   .   .   .   .   .   A   85   LEU   H    .   31097   1    
     286   .   1   .   1   89   89   LEU   CA   C   13   52.683    .   .   .   .   .   .   .   A   85   LEU   CA   .   31097   1    
     287   .   1   .   1   89   89   LEU   CB   C   13   41.634    .   .   .   .   .   .   .   A   85   LEU   CB   .   31097   1    
     288   .   1   .   1   89   89   LEU   N    N   15   127.994   .   .   .   .   .   .   .   A   85   LEU   N    .   31097   1    
     289   .   1   .   1   90   90   PRO   C    C   13   175.478   .   .   .   .   .   .   .   A   86   PRO   C    .   31097   1    
     290   .   1   .   1   91   91   TRP   H    H   1    7.305     .   .   .   .   .   .   .   A   87   TRP   H    .   31097   1    
     291   .   1   .   1   91   91   TRP   CA   C   13   58.284    .   .   .   .   .   .   .   A   87   TRP   CA   .   31097   1    
     292   .   1   .   1   91   91   TRP   CB   C   13   29.772    .   .   .   .   .   .   .   A   87   TRP   CB   .   31097   1    
     293   .   1   .   1   91   91   TRP   N    N   15   125.028   .   .   .   .   .   .   .   A   87   TRP   N    .   31097   1    

   stop_

save_