###################################
     #  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_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                     16709
   _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            0.01
   _Assigned_chem_shift_list.Chem_shift_13C_err           0.1
   _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      'spectral resolution'
   _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 COSY'    .   .   .   16709   1    
     2   '2D 1H-1H NOESY'   .   .   .   16709   1    
     3   '2D 1H-1H TOCSY'   .   .   .   16709   1    
     4   '2D 1H-13C HSQC'   .   .   .   16709   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    2KT   C4     C   13   5.852     0.400   .   1   .   .   .   .   1    2KT   C4     .   16709   1    
     2     .   1   1   1    1    2KT   Q4     H   1    0.980     0.020   .   1   .   .   .   .   1    2KT   Q4     .   16709   1    
     3     .   1   1   1    1    2KT   C3     C   13   30.078    0.400   .   1   .   .   .   .   1    2KT   C3     .   16709   1    
     4     .   1   1   1    1    2KT   H32    H   1    2.817     0.020   .   2   .   .   .   .   1    2KT   H32    .   16709   1    
     5     .   1   1   1    1    2KT   H33    H   1    2.817     0.020   .   2   .   .   .   .   1    2KT   H33    .   16709   1    
     6     .   1   1   2    2    DBU   H      H   1    10.195    0.020   .   1   .   .   .   .   2    DBU   H      .   16709   1    
     7     .   1   1   2    2    DBU   CB     C   13   124.946   0.400   .   1   .   .   .   .   2    DBU   CB     .   16709   1    
     8     .   1   1   2    2    DBU   HB     H   1    5.957     0.020   .   1   .   .   .   .   2    DBU   HB     .   16709   1    
     9     .   1   1   2    2    DBU   CG     C   13   11.162    0.400   .   1   .   .   .   .   2    DBU   CG     .   16709   1    
     10    .   1   1   2    2    DBU   QG     H   1    1.822     0.020   .   1   .   .   .   .   2    DBU   QG     .   16709   1    
     11    .   1   1   3    3    PRO   HA     H   1    4.426     0.020   .   1   .   .   .   .   3    PRO   HA     .   16709   1    
     12    .   1   1   3    3    PRO   HB2    H   1    1.963     0.020   .   2   .   .   .   .   3    PRO   HB2    .   16709   1    
     13    .   1   1   3    3    PRO   HB3    H   1    1.963     0.020   .   2   .   .   .   .   3    PRO   HB3    .   16709   1    
     14    .   1   1   3    3    PRO   HD2    H   1    3.638     0.020   .   2   .   .   .   .   3    PRO   HD2    .   16709   1    
     15    .   1   1   3    3    PRO   HD3    H   1    3.566     0.020   .   2   .   .   .   .   3    PRO   HD3    .   16709   1    
     16    .   1   1   3    3    PRO   HG2    H   1    2.379     0.020   .   2   .   .   .   .   3    PRO   HG2    .   16709   1    
     17    .   1   1   3    3    PRO   HG3    H   1    1.963     0.020   .   2   .   .   .   .   3    PRO   HG3    .   16709   1    
     18    .   1   1   3    3    PRO   CA     C   13   61.703    0.400   .   1   .   .   .   .   3    PRO   CA     .   16709   1    
     19    .   1   1   3    3    PRO   CB     C   13   24.549    0.400   .   1   .   .   .   .   3    PRO   CB     .   16709   1    
     20    .   1   1   3    3    PRO   CD     C   13   49.638    0.400   .   1   .   .   .   .   3    PRO   CD     .   16709   1    
     21    .   1   1   3    3    PRO   CG     C   13   29.446    0.400   .   1   .   .   .   .   3    PRO   CG     .   16709   1    
     22    .   1   1   4    4    ALA   H      H   1    8.115     0.020   .   1   .   .   .   .   4    ALA   H      .   16709   1    
     23    .   1   1   4    4    ALA   HA     H   1    4.326     0.020   .   1   .   .   .   .   4    ALA   HA     .   16709   1    
     24    .   1   1   4    4    ALA   HB1    H   1    1.492     0.020   .   1   .   .   .   .   4    ALA   HB     .   16709   1    
     25    .   1   1   4    4    ALA   HB2    H   1    1.492     0.020   .   1   .   .   .   .   4    ALA   HB     .   16709   1    
     26    .   1   1   4    4    ALA   HB3    H   1    1.492     0.020   .   1   .   .   .   .   4    ALA   HB     .   16709   1    
     27    .   1   1   4    4    ALA   CA     C   13   50.503    0.400   .   1   .   .   .   .   4    ALA   CA     .   16709   1    
     28    .   1   1   4    4    ALA   CB     C   13   15.660    0.400   .   1   .   .   .   .   4    ALA   CB     .   16709   1    
     29    .   1   1   5    5    DBU   H      H   1    9.040     0.020   .   1   .   .   .   .   5    DBU   H      .   16709   1    
     30    .   1   1   5    5    DBU   CB     C   13   127.731   0.400   .   1   .   .   .   .   5    DBU   CB     .   16709   1    
     31    .   1   1   5    5    DBU   HB     H   1    6.391     0.020   .   1   .   .   .   .   5    DBU   HB     .   16709   1    
     32    .   1   1   5    5    DBU   CG     C   13   11.681    0.400   .   1   .   .   .   .   5    DBU   CG     .   16709   1    
     33    .   1   1   5    5    DBU   QG     H   1    1.810     0.020   .   1   .   .   .   .   5    DBU   QG     .   16709   1    
     34    .   1   1   6    6    DBU   H      H   1    9.458     0.020   .   1   .   .   .   .   6    DBU   H      .   16709   1    
     35    .   1   1   6    6    DBU   CB     C   13   131.251   0.400   .   1   .   .   .   .   6    DBU   CB     .   16709   1    
     36    .   1   1   6    6    DBU   HB     H   1    6.672     0.020   .   1   .   .   .   .   6    DBU   HB     .   16709   1    
     37    .   1   1   6    6    DBU   CG     C   13   11.798    0.400   .   1   .   .   .   .   6    DBU   CG     .   16709   1    
     38    .   1   1   6    6    DBU   QG     H   1    1.846     0.020   .   1   .   .   .   .   6    DBU   QG     .   16709   1    
     39    .   1   1   7    7    DAL   H      H   1    8.014     0.020   .   1   .   .   .   .   7    DAL   H      .   16709   1    
     40    .   1   1   7    7    DAL   CA     C   13   55.325    0.400   .   1   .   .   .   .   7    DAL   CA     .   16709   1    
     41    .   1   1   7    7    DAL   HA     H   1    4.433     0.020   .   1   .   .   .   .   7    DAL   HA     .   16709   1    
     42    .   1   1   7    7    DAL   CB     C   13   32.223    0.400   .   1   .   .   .   .   7    DAL   CB     .   16709   1    
     43    .   1   1   7    7    DAL   HB2    H   1    3.309     0.020   .   2   .   .   .   .   7    DAL   HB2    .   16709   1    
     44    .   1   1   7    7    DAL   HB3    H   1    3.078     0.020   .   2   .   .   .   .   7    DAL   HB3    .   16709   1    
     45    .   1   1   8    8    DHA   H      H   1    9.432     0.020   .   1   .   .   .   .   8    DHA   H      .   16709   1    
     46    .   1   1   8    8    DHA   CA     C   13   107.652   0.400   .   1   .   .   .   .   8    DHA   CA     .   16709   1    
     47    .   1   1   8    8    DHA   HB2    H   1    5.441     0.020   .   2   .   .   .   .   8    DHA   HB2    .   16709   1    
     48    .   1   1   8    8    DHA   HB3    H   1    5.097     0.020   .   2   .   .   .   .   8    DHA   HB3    .   16709   1    
     49    .   1   1   9    9    TRP   H      H   1    9.103     0.020   .   1   .   .   .   .   9    TRP   H      .   16709   1    
     50    .   1   1   9    9    TRP   HA     H   1    4.468     0.020   .   1   .   .   .   .   9    TRP   HA     .   16709   1    
     51    .   1   1   9    9    TRP   HB2    H   1    3.351     0.020   .   2   .   .   .   .   9    TRP   HB2    .   16709   1    
     52    .   1   1   9    9    TRP   HB3    H   1    3.351     0.020   .   2   .   .   .   .   9    TRP   HB3    .   16709   1    
     53    .   1   1   9    9    TRP   HD1    H   1    7.203     0.020   .   1   .   .   .   .   9    TRP   HD1    .   16709   1    
     54    .   1   1   9    9    TRP   HE1    H   1    10.396    0.020   .   1   .   .   .   .   9    TRP   HE1    .   16709   1    
     55    .   1   1   9    9    TRP   HE3    H   1    7.567     0.020   .   1   .   .   .   .   9    TRP   HE3    .   16709   1    
     56    .   1   1   9    9    TRP   HH2    H   1    7.127     0.020   .   1   .   .   .   .   9    TRP   HH2    .   16709   1    
     57    .   1   1   9    9    TRP   HZ2    H   1    7.366     0.020   .   1   .   .   .   .   9    TRP   HZ2    .   16709   1    
     58    .   1   1   9    9    TRP   HZ3    H   1    7.035     0.020   .   1   .   .   .   .   9    TRP   HZ3    .   16709   1    
     59    .   1   1   9    9    TRP   CA     C   13   58.172    0.400   .   1   .   .   .   .   9    TRP   CA     .   16709   1    
     60    .   1   1   9    9    TRP   CB     C   13   27.084    0.400   .   1   .   .   .   .   9    TRP   CB     .   16709   1    
     61    .   1   1   9    9    TRP   CD1    C   13   123.317   0.400   .   1   .   .   .   .   9    TRP   CD1    .   16709   1    
     62    .   1   1   9    9    TRP   CE3    C   13   117.416   0.400   .   1   .   .   .   .   9    TRP   CE3    .   16709   1    
     63    .   1   1   9    9    TRP   CH2    C   13   121.133   0.400   .   1   .   .   .   .   9    TRP   CH2    .   16709   1    
     64    .   1   1   9    9    TRP   CZ2    C   13   111.398   0.400   .   1   .   .   .   .   9    TRP   CZ2    .   16709   1    
     65    .   1   1   9    9    TRP   CZ3    C   13   118.508   0.400   .   1   .   .   .   .   9    TRP   CZ3    .   16709   1    
     66    .   1   1   10   10   THR   H      H   1    8.030     0.020   .   1   .   .   .   .   10   THR   H      .   16709   1    
     67    .   1   1   10   10   THR   HA     H   1    3.819     0.020   .   1   .   .   .   .   10   THR   HA     .   16709   1    
     68    .   1   1   10   10   THR   HB     H   1    4.383     0.020   .   1   .   .   .   .   10   THR   HB     .   16709   1    
     69    .   1   1   10   10   THR   HG21   H   1    1.270     0.020   .   1   .   .   .   .   10   THR   HG2    .   16709   1    
     70    .   1   1   10   10   THR   HG22   H   1    1.270     0.020   .   1   .   .   .   .   10   THR   HG2    .   16709   1    
     71    .   1   1   10   10   THR   HG23   H   1    1.270     0.020   .   1   .   .   .   .   10   THR   HG2    .   16709   1    
     72    .   1   1   10   10   THR   CA     C   13   64.229    0.400   .   1   .   .   .   .   10   THR   CA     .   16709   1    
     73    .   1   1   10   10   THR   CB     C   13   65.645    0.400   .   1   .   .   .   .   10   THR   CB     .   16709   1    
     74    .   1   1   10   10   THR   CG2    C   13   19.256    0.400   .   1   .   .   .   .   10   THR   CG2    .   16709   1    
     75    .   1   1   11   11   CYS   H      H   1    8.018     0.020   .   1   .   .   .   .   11   CYS   H      .   16709   1    
     76    .   1   1   11   11   CYS   HA     H   1    3.858     0.020   .   1   .   .   .   .   11   CYS   HA     .   16709   1    
     77    .   1   1   11   11   CYS   HB2    H   1    3.167     0.020   .   2   .   .   .   .   11   CYS   HB2    .   16709   1    
     78    .   1   1   11   11   CYS   HB3    H   1    2.847     0.020   .   2   .   .   .   .   11   CYS   HB3    .   16709   1    
     79    .   1   1   11   11   CYS   CA     C   13   57.844    0.400   .   1   .   .   .   .   11   CYS   CA     .   16709   1    
     80    .   1   1   11   11   CYS   CB     C   13   32.190    0.400   .   1   .   .   .   .   11   CYS   CB     .   16709   1    
     81    .   1   1   12   12   ILE   H      H   1    8.197     0.020   .   1   .   .   .   .   12   ILE   H      .   16709   1    
     82    .   1   1   12   12   ILE   HA     H   1    3.673     0.020   .   1   .   .   .   .   12   ILE   HA     .   16709   1    
     83    .   1   1   12   12   ILE   HB     H   1    1.993     0.020   .   1   .   .   .   .   12   ILE   HB     .   16709   1    
     84    .   1   1   12   12   ILE   HD11   H   1    0.643     0.020   .   1   .   .   .   .   12   ILE   HD1    .   16709   1    
     85    .   1   1   12   12   ILE   HD12   H   1    0.643     0.020   .   1   .   .   .   .   12   ILE   HD1    .   16709   1    
     86    .   1   1   12   12   ILE   HD13   H   1    0.643     0.020   .   1   .   .   .   .   12   ILE   HD1    .   16709   1    
     87    .   1   1   12   12   ILE   HG12   H   1    1.672     0.020   .   2   .   .   .   .   12   ILE   HG12   .   16709   1    
     88    .   1   1   12   12   ILE   HG13   H   1    1.054     0.020   .   2   .   .   .   .   12   ILE   HG13   .   16709   1    
     89    .   1   1   12   12   ILE   HG21   H   1    0.863     0.020   .   1   .   .   .   .   12   ILE   HG2    .   16709   1    
     90    .   1   1   12   12   ILE   HG22   H   1    0.863     0.020   .   1   .   .   .   .   12   ILE   HG2    .   16709   1    
     91    .   1   1   12   12   ILE   HG23   H   1    0.863     0.020   .   1   .   .   .   .   12   ILE   HG2    .   16709   1    
     92    .   1   1   12   12   ILE   CA     C   13   62.744    0.400   .   1   .   .   .   .   12   ILE   CA     .   16709   1    
     93    .   1   1   12   12   ILE   CB     C   13   34.926    0.400   .   1   .   .   .   .   12   ILE   CB     .   16709   1    
     94    .   1   1   12   12   ILE   CD1    C   13   9.322     0.400   .   1   .   .   .   .   12   ILE   CD1    .   16709   1    
     95    .   1   1   12   12   ILE   CG1    C   13   26.088    0.400   .   1   .   .   .   .   12   ILE   CG1    .   16709   1    
     96    .   1   1   12   12   ILE   CG2    C   13   14.012    0.400   .   1   .   .   .   .   12   ILE   CG2    .   16709   1    
     97    .   1   1   13   13   DBU   H      H   1    9.576     0.020   .   1   .   .   .   .   13   DBU   H      .   16709   1    
     98    .   1   1   13   13   DBU   CB     C   13   127.948   0.400   .   1   .   .   .   .   13   DBU   CB     .   16709   1    
     99    .   1   1   13   13   DBU   HB     H   1    6.213     0.020   .   1   .   .   .   .   13   DBU   HB     .   16709   1    
     100   .   1   1   13   13   DBU   CG     C   13   10.993    0.400   .   1   .   .   .   .   13   DBU   CG     .   16709   1    
     101   .   1   1   13   13   DBU   QG     H   1    1.430     0.020   .   1   .   .   .   .   13   DBU   QG     .   16709   1    
     102   .   1   1   14   14   ALA   H      H   1    7.931     0.020   .   1   .   .   .   .   14   ALA   H      .   16709   1    
     103   .   1   1   14   14   ALA   HA     H   1    4.139     0.020   .   1   .   .   .   .   14   ALA   HA     .   16709   1    
     104   .   1   1   14   14   ALA   HB1    H   1    1.483     0.020   .   1   .   .   .   .   14   ALA   HB     .   16709   1    
     105   .   1   1   14   14   ALA   HB2    H   1    1.483     0.020   .   1   .   .   .   .   14   ALA   HB     .   16709   1    
     106   .   1   1   14   14   ALA   HB3    H   1    1.483     0.020   .   1   .   .   .   .   14   ALA   HB     .   16709   1    
     107   .   1   1   14   14   ALA   CA     C   13   52.007    0.400   .   1   .   .   .   .   14   ALA   CA     .   16709   1    
     108   .   1   1   14   14   ALA   CB     C   13   15.126    0.400   .   1   .   .   .   .   14   ALA   CB     .   16709   1    
     109   .   1   1   15   15   GLY   H      H   1    7.931     0.020   .   1   .   .   .   .   15   GLY   H      .   16709   1    
     110   .   1   1   15   15   GLY   HA2    H   1    3.890     0.020   .   2   .   .   .   .   15   GLY   HA2    .   16709   1    
     111   .   1   1   15   15   GLY   HA3    H   1    3.862     0.020   .   2   .   .   .   .   15   GLY   HA3    .   16709   1    
     112   .   1   1   15   15   GLY   CA     C   13   44.078    0.400   .   1   .   .   .   .   15   GLY   CA     .   16709   1    
     113   .   1   1   16   16   VAL   H      H   1    8.270     0.020   .   1   .   .   .   .   16   VAL   H      .   16709   1    
     114   .   1   1   16   16   VAL   HA     H   1    3.775     0.020   .   1   .   .   .   .   16   VAL   HA     .   16709   1    
     115   .   1   1   16   16   VAL   HB     H   1    2.301     0.020   .   1   .   .   .   .   16   VAL   HB     .   16709   1    
     116   .   1   1   16   16   VAL   HG11   H   1    1.002     0.020   .   2   .   .   .   .   16   VAL   HG1    .   16709   1    
     117   .   1   1   16   16   VAL   HG12   H   1    1.002     0.020   .   2   .   .   .   .   16   VAL   HG1    .   16709   1    
     118   .   1   1   16   16   VAL   HG13   H   1    1.002     0.020   .   2   .   .   .   .   16   VAL   HG1    .   16709   1    
     119   .   1   1   16   16   VAL   HG21   H   1    0.989     0.020   .   2   .   .   .   .   16   VAL   HG2    .   16709   1    
     120   .   1   1   16   16   VAL   HG22   H   1    0.989     0.020   .   2   .   .   .   .   16   VAL   HG2    .   16709   1    
     121   .   1   1   16   16   VAL   HG23   H   1    0.989     0.020   .   2   .   .   .   .   16   VAL   HG2    .   16709   1    
     122   .   1   1   16   16   VAL   CA     C   13   63.893    0.400   .   1   .   .   .   .   16   VAL   CA     .   16709   1    
     123   .   1   1   16   16   VAL   CB     C   13   28.673    0.400   .   1   .   .   .   .   16   VAL   CB     .   16709   1    
     124   .   1   1   16   16   VAL   CG1    C   13   19.313    0.400   .   1   .   .   .   .   16   VAL   CG1    .   16709   1    
     125   .   1   1   16   16   VAL   CG2    C   13   18.090    0.400   .   1   .   .   .   .   16   VAL   CG2    .   16709   1    
     126   .   1   1   17   17   DBU   H      H   1    9.439     0.020   .   1   .   .   .   .   17   DBU   H      .   16709   1    
     127   .   1   1   17   17   DBU   CB     C   13   128.295   0.400   .   1   .   .   .   .   17   DBU   CB     .   16709   1    
     128   .   1   1   17   17   DBU   HB     H   1    6.339     0.020   .   1   .   .   .   .   17   DBU   HB     .   16709   1    
     129   .   1   1   17   17   DBU   CG     C   13   11.411    0.400   .   1   .   .   .   .   17   DBU   CG     .   16709   1    
     130   .   1   1   17   17   DBU   QG     H   1    1.813     0.020   .   1   .   .   .   .   17   DBU   QG     .   16709   1    
     131   .   1   1   18   18   VAL   H      H   1    7.935     0.020   .   1   .   .   .   .   18   VAL   H      .   16709   1    
     132   .   1   1   18   18   VAL   HA     H   1    3.804     0.020   .   1   .   .   .   .   18   VAL   HA     .   16709   1    
     133   .   1   1   18   18   VAL   HB     H   1    2.270     0.020   .   1   .   .   .   .   18   VAL   HB     .   16709   1    
     134   .   1   1   18   18   VAL   HG11   H   1    1.114     0.020   .   2   .   .   .   .   18   VAL   HG1    .   16709   1    
     135   .   1   1   18   18   VAL   HG12   H   1    1.114     0.020   .   2   .   .   .   .   18   VAL   HG1    .   16709   1    
     136   .   1   1   18   18   VAL   HG13   H   1    1.114     0.020   .   2   .   .   .   .   18   VAL   HG1    .   16709   1    
     137   .   1   1   18   18   VAL   HG21   H   1    0.996     0.020   .   2   .   .   .   .   18   VAL   HG2    .   16709   1    
     138   .   1   1   18   18   VAL   HG22   H   1    0.996     0.020   .   2   .   .   .   .   18   VAL   HG2    .   16709   1    
     139   .   1   1   18   18   VAL   HG23   H   1    0.996     0.020   .   2   .   .   .   .   18   VAL   HG2    .   16709   1    
     140   .   1   1   18   18   VAL   CA     C   13   63.830    0.400   .   1   .   .   .   .   18   VAL   CA     .   16709   1    
     141   .   1   1   18   18   VAL   CB     C   13   28.970    0.400   .   1   .   .   .   .   18   VAL   CB     .   16709   1    
     142   .   1   1   18   18   VAL   CG1    C   13   19.532    0.400   .   1   .   .   .   .   18   VAL   CG1    .   16709   1    
     143   .   1   1   18   18   VAL   CG2    C   13   18.475    0.400   .   1   .   .   .   .   18   VAL   CG2    .   16709   1    
     144   .   1   1   19   19   DAL   H      H   1    8.620     0.020   .   1   .   .   .   .   19   DAL   H      .   16709   1    
     145   .   1   1   19   19   DAL   CA     C   13   57.703    0.400   .   1   .   .   .   .   19   DAL   CA     .   16709   1    
     146   .   1   1   19   19   DAL   HA     H   1    4.050     0.020   .   1   .   .   .   .   19   DAL   HA     .   16709   1    
     147   .   1   1   19   19   DAL   CB     C   13   29.094    0.400   .   1   .   .   .   .   19   DAL   CB     .   16709   1    
     148   .   1   1   19   19   DAL   HB2    H   1    3.987     0.020   .   2   .   .   .   .   19   DAL   HB2    .   16709   1    
     149   .   1   1   19   19   DAL   HB3    H   1    2.555     0.020   .   2   .   .   .   .   19   DAL   HB3    .   16709   1    
     150   .   1   1   20   20   ALA   H      H   1    8.671     0.020   .   1   .   .   .   .   20   ALA   H      .   16709   1    
     151   .   1   1   20   20   ALA   HA     H   1    4.051     0.020   .   1   .   .   .   .   20   ALA   HA     .   16709   1    
     152   .   1   1   20   20   ALA   HB1    H   1    1.410     0.020   .   1   .   .   .   .   20   ALA   HB     .   16709   1    
     153   .   1   1   20   20   ALA   HB2    H   1    1.410     0.020   .   1   .   .   .   .   20   ALA   HB     .   16709   1    
     154   .   1   1   20   20   ALA   HB3    H   1    1.410     0.020   .   1   .   .   .   .   20   ALA   HB     .   16709   1    
     155   .   1   1   20   20   ALA   CA     C   13   52.605    0.400   .   1   .   .   .   .   20   ALA   CA     .   16709   1    
     156   .   1   1   20   20   ALA   CB     C   13   15.298    0.400   .   1   .   .   .   .   20   ALA   CB     .   16709   1    
     157   .   1   1   21   21   SER   H      H   1    7.458     0.020   .   1   .   .   .   .   21   SER   H      .   16709   1    
     158   .   1   1   21   21   SER   HA     H   1    4.583     0.020   .   1   .   .   .   .   21   SER   HA     .   16709   1    
     159   .   1   1   21   21   SER   HB2    H   1    3.934     0.020   .   2   .   .   .   .   21   SER   HB2    .   16709   1    
     160   .   1   1   21   21   SER   HB3    H   1    3.840     0.020   .   2   .   .   .   .   21   SER   HB3    .   16709   1    
     161   .   1   1   21   21   SER   CA     C   13   57.580    0.400   .   1   .   .   .   .   21   SER   CA     .   16709   1    
     162   .   1   1   21   21   SER   CB     C   13   62.393    0.400   .   1   .   .   .   .   21   SER   CB     .   16709   1    
     163   .   1   1   22   22   LEU   H      H   1    8.190     0.020   .   1   .   .   .   .   22   LEU   H      .   16709   1    
     164   .   1   1   22   22   LEU   HA     H   1    4.568     0.020   .   1   .   .   .   .   22   LEU   HA     .   16709   1    
     165   .   1   1   22   22   LEU   HB2    H   1    1.694     0.020   .   2   .   .   .   .   22   LEU   HB2    .   16709   1    
     166   .   1   1   22   22   LEU   HB3    H   1    1.641     0.020   .   2   .   .   .   .   22   LEU   HB3    .   16709   1    
     167   .   1   1   22   22   LEU   HD11   H   1    0.917     0.020   .   2   .   .   .   .   22   LEU   HD1    .   16709   1    
     168   .   1   1   22   22   LEU   HD12   H   1    0.917     0.020   .   2   .   .   .   .   22   LEU   HD1    .   16709   1    
     169   .   1   1   22   22   LEU   HD13   H   1    0.917     0.020   .   2   .   .   .   .   22   LEU   HD1    .   16709   1    
     170   .   1   1   22   22   LEU   HD21   H   1    0.901     0.020   .   2   .   .   .   .   22   LEU   HD2    .   16709   1    
     171   .   1   1   22   22   LEU   HD22   H   1    0.901     0.020   .   2   .   .   .   .   22   LEU   HD2    .   16709   1    
     172   .   1   1   22   22   LEU   HD23   H   1    0.901     0.020   .   2   .   .   .   .   22   LEU   HD2    .   16709   1    
     173   .   1   1   22   22   LEU   HG     H   1    1.723     0.020   .   1   .   .   .   .   22   LEU   HG     .   16709   1    
     174   .   1   1   22   22   LEU   CA     C   13   52.007    0.400   .   1   .   .   .   .   22   LEU   CA     .   16709   1    
     175   .   1   1   22   22   LEU   CB     C   13   42.388    0.400   .   1   .   .   .   .   22   LEU   CB     .   16709   1    
     176   .   1   1   22   22   LEU   CD1    C   13   22.478    0.400   .   1   .   .   .   .   22   LEU   CD1    .   16709   1    
     177   .   1   1   22   22   LEU   CD2    C   13   20.221    0.400   .   1   .   .   .   .   22   LEU   CD2    .   16709   1    
     178   .   1   1   22   22   LEU   CG     C   13   23.905    0.400   .   1   .   .   .   .   22   LEU   CG     .   16709   1    
     179   .   1   1   23   23   CYS   H      H   1    9.022     0.020   .   1   .   .   .   .   23   CYS   H      .   16709   1    
     180   .   1   1   23   23   CYS   HA     H   1    4.605     0.020   .   1   .   .   .   .   23   CYS   HA     .   16709   1    
     181   .   1   1   23   23   CYS   HB2    H   1    3.747     0.020   .   2   .   .   .   .   23   CYS   HB2    .   16709   1    
     182   .   1   1   23   23   CYS   HB3    H   1    2.605     0.020   .   2   .   .   .   .   23   CYS   HB3    .   16709   1    
     183   .   1   1   23   23   CYS   CA     C   13   58.289    0.400   .   1   .   .   .   .   23   CYS   CA     .   16709   1    
     184   .   1   1   23   23   CYS   CB     C   13   29.621    0.400   .   1   .   .   .   .   23   CYS   CB     .   16709   1    
     185   .   1   1   24   24   PRO   HA     H   1    4.320     0.020   .   1   .   .   .   .   24   PRO   HA     .   16709   1    
     186   .   1   1   24   24   PRO   HB2    H   1    2.318     0.020   .   2   .   .   .   .   24   PRO   HB2    .   16709   1    
     187   .   1   1   24   24   PRO   HB3    H   1    2.022     0.020   .   2   .   .   .   .   24   PRO   HB3    .   16709   1    
     188   .   1   1   24   24   PRO   HD2    H   1    3.994     0.020   .   2   .   .   .   .   24   PRO   HD2    .   16709   1    
     189   .   1   1   24   24   PRO   HD3    H   1    3.657     0.020   .   2   .   .   .   .   24   PRO   HD3    .   16709   1    
     190   .   1   1   24   24   PRO   HG2    H   1    2.251     0.020   .   2   .   .   .   .   24   PRO   HG2    .   16709   1    
     191   .   1   1   24   24   PRO   HG3    H   1    2.092     0.020   .   2   .   .   .   .   24   PRO   HG3    .   16709   1    
     192   .   1   1   24   24   PRO   CA     C   13   61.493    0.400   .   1   .   .   .   .   24   PRO   CA     .   16709   1    
     193   .   1   1   24   24   PRO   CB     C   13   28.987    0.400   .   1   .   .   .   .   24   PRO   CB     .   16709   1    
     194   .   1   1   24   24   PRO   CD     C   13   47.316    0.400   .   1   .   .   .   .   24   PRO   CD     .   16709   1    
     195   .   1   1   24   24   PRO   CG     C   13   25.178    0.400   .   1   .   .   .   .   24   PRO   CG     .   16709   1    
     196   .   1   1   25   25   ABA   H      H   1    8.393     0.020   .   1   .   .   .   .   25   ABA   H      .   16709   1    
     197   .   1   1   25   25   ABA   HA     H   1    5.003     0.020   .   1   .   .   .   .   25   ABA   HA     .   16709   1    
     198   .   1   1   25   25   ABA   CB     C   13   42.627    0.400   .   1   .   .   .   .   25   ABA   CB     .   16709   1    
     199   .   1   1   25   25   ABA   HB     H   1    3.661     0.020   .   1   .   .   .   .   25   ABA   HB     .   16709   1    
     200   .   1   1   25   25   ABA   CG     C   13   19.949    0.400   .   1   .   .   .   .   25   ABA   CG     .   16709   1    
     201   .   1   1   25   25   ABA   QG     H   1    1.342     0.020   .   1   .   .   .   .   25   ABA   QG     .   16709   1    
     202   .   1   1   26   26   DBU   H      H   1    9.684     0.020   .   1   .   .   .   .   26   DBU   H      .   16709   1    
     203   .   1   1   26   26   DBU   CB     C   13   130.767   0.400   .   1   .   .   .   .   26   DBU   CB     .   16709   1    
     204   .   1   1   26   26   DBU   HB     H   1    6.473     0.020   .   1   .   .   .   .   26   DBU   HB     .   16709   1    
     205   .   1   1   26   26   DBU   CG     C   13   12.874    0.400   .   1   .   .   .   .   26   DBU   CG     .   16709   1    
     206   .   1   1   26   26   DBU   QG     H   1    1.825     0.020   .   1   .   .   .   .   26   DBU   QG     .   16709   1    
     207   .   1   1   27   27   LYS   H      H   1    8.138     0.020   .   1   .   .   .   .   27   LYS   H      .   16709   1    
     208   .   1   1   27   27   LYS   HA     H   1    4.838     0.020   .   1   .   .   .   .   27   LYS   HA     .   16709   1    
     209   .   1   1   27   27   LYS   HB2    H   1    2.231     0.020   .   2   .   .   .   .   27   LYS   HB2    .   16709   1    
     210   .   1   1   27   27   LYS   HB3    H   1    1.593     0.020   .   2   .   .   .   .   27   LYS   HB3    .   16709   1    
     211   .   1   1   27   27   LYS   HD2    H   1    1.822     0.020   .   2   .   .   .   .   27   LYS   HD2    .   16709   1    
     212   .   1   1   27   27   LYS   HD3    H   1    1.695     0.020   .   2   .   .   .   .   27   LYS   HD3    .   16709   1    
     213   .   1   1   27   27   LYS   HE2    H   1    3.021     0.020   .   2   .   .   .   .   27   LYS   HE2    .   16709   1    
     214   .   1   1   27   27   LYS   HE3    H   1    3.021     0.020   .   2   .   .   .   .   27   LYS   HE3    .   16709   1    
     215   .   1   1   27   27   LYS   HG2    H   1    1.558     0.020   .   2   .   .   .   .   27   LYS   HG2    .   16709   1    
     216   .   1   1   27   27   LYS   HG3    H   1    1.514     0.020   .   2   .   .   .   .   27   LYS   HG3    .   16709   1    
     217   .   1   1   27   27   LYS   HZ1    H   1    7.813     0.020   .   1   .   .   .   .   27   LYS   HZ1    .   16709   1    
     218   .   1   1   27   27   LYS   HZ2    H   1    7.813     0.020   .   1   .   .   .   .   27   LYS   HZ2    .   16709   1    
     219   .   1   1   27   27   LYS   HZ3    H   1    7.813     0.020   .   1   .   .   .   .   27   LYS   HZ3    .   16709   1    
     220   .   1   1   27   27   LYS   CB     C   13   29.790    0.400   .   1   .   .   .   .   27   LYS   CB     .   16709   1    
     221   .   1   1   27   27   LYS   CD     C   13   26.606    0.400   .   1   .   .   .   .   27   LYS   CD     .   16709   1    
     222   .   1   1   27   27   LYS   CE     C   13   39.558    0.400   .   1   .   .   .   .   27   LYS   CE     .   16709   1    
     223   .   1   1   27   27   LYS   CG     C   13   22.362    0.400   .   1   .   .   .   .   27   LYS   CG     .   16709   1    
     224   .   1   1   28   28   CYS   H      H   1    8.049     0.020   .   1   .   .   .   .   28   CYS   H      .   16709   1    
     225   .   1   1   28   28   CYS   HA     H   1    4.433     0.020   .   1   .   .   .   .   28   CYS   HA     .   16709   1    
     226   .   1   1   28   28   CYS   HB2    H   1    3.512     0.020   .   2   .   .   .   .   28   CYS   HB2    .   16709   1    
     227   .   1   1   28   28   CYS   HB3    H   1    3.184     0.020   .   2   .   .   .   .   28   CYS   HB3    .   16709   1    
     228   .   1   1   28   28   CYS   CA     C   13   53.448    0.400   .   1   .   .   .   .   28   CYS   CA     .   16709   1    
     229   .   1   1   28   28   CYS   CB     C   13   33.091    0.400   .   1   .   .   .   .   28   CYS   CB     .   16709   1    
     230   .   1   1   30   30   SER   H      H   1    8.213     0.020   .   1   .   .   .   .   30   SER   H      .   16709   1    
     231   .   1   1   30   30   SER   HA     H   1    4.179     0.020   .   1   .   .   .   .   30   SER   HA     .   16709   1    
     232   .   1   1   30   30   SER   HB2    H   1    3.871     0.020   .   2   .   .   .   .   30   SER   HB2    .   16709   1    
     233   .   1   1   30   30   SER   HB3    H   1    3.740     0.020   .   2   .   .   .   .   30   SER   HB3    .   16709   1    
     234   .   1   1   30   30   SER   CA     C   13   59.776    0.400   .   1   .   .   .   .   30   SER   CA     .   16709   1    
     235   .   1   1   30   30   SER   CB     C   13   60.422    0.400   .   1   .   .   .   .   30   SER   CB     .   16709   1    
     236   .   1   1   31   31   ARG   H      H   1    7.992     0.020   .   1   .   .   .   .   31   ARG   H      .   16709   1    
     237   .   1   1   31   31   ARG   HA     H   1    4.652     0.020   .   1   .   .   .   .   31   ARG   HA     .   16709   1    
     238   .   1   1   31   31   ARG   HB2    H   1    2.179     0.020   .   2   .   .   .   .   31   ARG   HB2    .   16709   1    
     239   .   1   1   31   31   ARG   HB3    H   1    1.638     0.020   .   2   .   .   .   .   31   ARG   HB3    .   16709   1    
     240   .   1   1   31   31   ARG   HD2    H   1    3.314     0.020   .   2   .   .   .   .   31   ARG   HD2    .   16709   1    
     241   .   1   1   31   31   ARG   HD3    H   1    3.314     0.020   .   2   .   .   .   .   31   ARG   HD3    .   16709   1    
     242   .   1   1   31   31   ARG   HE     H   1    7.476     0.020   .   1   .   .   .   .   31   ARG   HE     .   16709   1    
     243   .   1   1   31   31   ARG   HG2    H   1    1.720     0.020   .   2   .   .   .   .   31   ARG   HG2    .   16709   1    
     244   .   1   1   31   31   ARG   HG3    H   1    1.637     0.020   .   2   .   .   .   .   31   ARG   HG3    .   16709   1    
     245   .   1   1   31   31   ARG   CA     C   13   51.611    0.400   .   1   .   .   .   .   31   ARG   CA     .   16709   1    
     246   .   1   1   31   31   ARG   CB     C   13   26.941    0.400   .   1   .   .   .   .   31   ARG   CB     .   16709   1    
     247   .   1   1   31   31   ARG   CD     C   13   40.625    0.400   .   1   .   .   .   .   31   ARG   CD     .   16709   1    
     248   .   1   1   31   31   ARG   CG     C   13   24.751    0.400   .   1   .   .   .   .   31   ARG   CG     .   16709   1    
     249   .   1   1   32   32   CYS   H      H   1    7.477     0.020   .   1   .   .   .   .   32   CYS   H      .   16709   1    
     250   .   1   1   32   32   CYS   HA     H   1    4.167     0.020   .   1   .   .   .   .   32   CYS   HA     .   16709   1    
     251   .   1   1   32   32   CYS   HB2    H   1    3.704     0.020   .   2   .   .   .   .   32   CYS   HB2    .   16709   1    
     252   .   1   1   32   32   CYS   HB3    H   1    2.949     0.020   .   2   .   .   .   .   32   CYS   HB3    .   16709   1    
     253   .   1   1   32   32   CYS   CA     C   13   59.680    0.400   .   1   .   .   .   .   32   CYS   CA     .   16709   1    
     254   .   1   1   32   32   CYS   CB     C   13   36.982    0.400   .   1   .   .   .   .   32   CYS   CB     .   16709   1    

   stop_

save_