###################################
     #  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                     31030
   _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-1H COSY'              .   .   .   31030   1    
     2   '2D 1H-1H TOCSY'             .   .   .   31030   1    
     3   '2D 1H-1H NOESY'             .   .   .   31030   1    
     4   '2D 1H-1H NOESY'             .   .   .   31030   1    
     5   '2D 1H-13C HSQC aliphatic'   .   .   .   31030   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   1    1    BVK   H1     H   1    8.237     0.003   .   1   .   .   150   .   A   1    BVK   H1     .   31030   1    
     2     .   1   .   1   1    1    BVK   H2     H   1    8.237     0.003   .   1   .   .   150   .   A   1    BVK   H2     .   31030   1    
     3     .   1   .   1   1    1    BVK   H3     H   1    8.237     0.003   .   1   .   .   150   .   A   1    BVK   H3     .   31030   1    
     4     .   1   .   1   1    1    BVK   H4     H   1    7.348     0.006   .   1   .   .   159   .   A   1    BVK   H4     .   31030   1    
     5     .   1   .   1   1    1    BVK   H5     H   1    7.383     0.006   .   1   .   .   161   .   A   1    BVK   H5     .   31030   1    
     6     .   1   .   1   1    1    BVK   H6     H   1    7.383     0.006   .   1   .   .   161   .   A   1    BVK   H6     .   31030   1    
     7     .   1   .   1   1    1    BVK   H7     H   1    7.348     0.006   .   1   .   .   159   .   A   1    BVK   H7     .   31030   1    
     8     .   1   .   1   1    1    BVK   H8     H   1    3.188     0.005   .   2   .   .   147   .   A   1    BVK   H8     .   31030   1    
     9     .   1   .   1   1    1    BVK   H9     H   1    2.887     0.006   .   2   .   .   149   .   A   1    BVK   H9     .   31030   1    
     10    .   1   .   1   1    1    BVK   H11    H   1    3.691     0.01    .   1   .   .   175   .   A   1    BVK   H11    .   31030   1    
     11    .   1   .   1   1    1    BVK   C2     C   13   132.616   .       .   1   .   .   160   .   A   1    BVK   C2     .   31030   1    
     12    .   1   .   1   1    1    BVK   C3     C   13   131.901   .       .   1   .   .   162   .   A   1    BVK   C3     .   31030   1    
     13    .   1   .   1   1    1    BVK   C5     C   13   131.901   .       .   1   .   .   162   .   A   1    BVK   C5     .   31030   1    
     14    .   1   .   1   1    1    BVK   C6     C   13   132.616   .       .   1   .   .   160   .   A   1    BVK   C6     .   31030   1    
     15    .   1   .   1   1    1    BVK   CA     C   13   44.265    0.031   .   1   .   .   174   .   A   1    BVK   CA     .   31030   1    
     16    .   1   .   1   2    2    SER   H      H   1    8.455     0.005   .   1   .   .   50    .   A   2    SER   H      .   31030   1    
     17    .   1   .   1   2    2    SER   HA     H   1    4.464     0.017   .   1   .   .   48    .   A   2    SER   HA     .   31030   1    
     18    .   1   .   1   2    2    SER   HB2    H   1    3.906     0.024   .   2   .   .   47    .   A   2    SER   HB2    .   31030   1    
     19    .   1   .   1   2    2    SER   HB3    H   1    3.955     0.017   .   2   .   .   45    .   A   2    SER   HB3    .   31030   1    
     20    .   1   .   1   2    2    SER   CA     C   13   58.501    .       .   1   .   .   49    .   A   2    SER   CA     .   31030   1    
     21    .   1   .   1   2    2    SER   CB     C   13   63.958    0.006   .   1   .   .   46    .   A   2    SER   CB     .   31030   1    
     22    .   1   .   1   3    3    LEU   H      H   1    7.773     0.009   .   1   .   .   37    .   A   3    LEU   H      .   31030   1    
     23    .   1   .   1   3    3    LEU   HA     H   1    3.792     0.013   .   1   .   .   43    .   A   3    LEU   HA     .   31030   1    
     24    .   1   .   1   3    3    LEU   HB2    H   1    1.564     0.017   .   2   .   .   200   .   A   3    LEU   HB2    .   31030   1    
     25    .   1   .   1   3    3    LEU   HB3    H   1    1.168     0.001   .   2   .   .   298   .   A   3    LEU   HB2    .   31030   1    
     26    .   1   .   1   3    3    LEU   HG     H   1    1.814     0.003   .   1   .   .   39    .   A   3    LEU   HG     .   31030   1    
     27    .   1   .   1   3    3    LEU   HD11   H   1    0.834     0.005   .   2   .   .   33    .   A   3    LEU   HD11   .   31030   1    
     28    .   1   .   1   3    3    LEU   HD12   H   1    0.834     0.005   .   2   .   .   33    .   A   3    LEU   HD12   .   31030   1    
     29    .   1   .   1   3    3    LEU   HD13   H   1    0.834     0.005   .   2   .   .   33    .   A   3    LEU   HD13   .   31030   1    
     30    .   1   .   1   3    3    LEU   HD21   H   1    0.834     0.007   .   2   .   .   35    .   A   3    LEU   HD21   .   31030   1    
     31    .   1   .   1   3    3    LEU   HD22   H   1    0.834     0.007   .   2   .   .   35    .   A   3    LEU   HD22   .   31030   1    
     32    .   1   .   1   3    3    LEU   HD23   H   1    0.834     0.007   .   2   .   .   35    .   A   3    LEU   HD23   .   31030   1    
     33    .   1   .   1   3    3    LEU   CA     C   13   64.519    .       .   1   .   .   44    .   A   3    LEU   CA     .   31030   1    
     34    .   1   .   1   3    3    LEU   CB     C   13   41.909    0.03    .   1   .   .   201   .   A   3    LEU   CB     .   31030   1    
     35    .   1   .   1   3    3    LEU   CG     C   13   29.293    .       .   1   .   .   194   .   A   3    LEU   CG     .   31030   1    
     36    .   1   .   1   3    3    LEU   CD1    C   13   22.234    .       .   2   .   .   34    .   A   3    LEU   CD1    .   31030   1    
     37    .   1   .   1   3    3    LEU   CD2    C   13   17.530    .       .   2   .   .   36    .   A   3    LEU   CD2    .   31030   1    
     38    .   1   .   1   4    4    GLU   H      H   1    8.291     0.004   .   1   .   .   116   .   A   4    GLU   H      .   31030   1    
     39    .   1   .   1   4    4    GLU   HA     H   1    3.879     0.009   .   1   .   .   114   .   A   4    GLU   HA     .   31030   1    
     40    .   1   .   1   4    4    GLU   HB2    H   1    1.619     0.004   .   2   .   .   119   .   A   4    GLU   HB2    .   31030   1    
     41    .   1   .   1   4    4    GLU   HB3    H   1    1.619     0.004   .   2   .   .   117   .   A   4    GLU   HB3    .   31030   1    
     42    .   1   .   1   4    4    GLU   HG2    H   1    2.153     0.005   .   1   .   .   113   .   A   4    GLU   HG2    .   31030   1    
     43    .   1   .   1   4    4    GLU   HG3    H   1    2.153     0.005   .   1   .   .   111   .   A   4    GLU   HG3    .   31030   1    
     44    .   1   .   1   4    4    GLU   CA     C   13   59.544    .       .   1   .   .   115   .   A   4    GLU   CA     .   31030   1    
     45    .   1   .   1   4    4    GLU   CB     C   13   29.248    .       .   1   .   .   118   .   A   4    GLU   CB     .   31030   1    
     46    .   1   .   1   4    4    GLU   CG     C   13   37.079    .       .   1   .   .   112   .   A   4    GLU   CG     .   31030   1    
     47    .   1   .   1   5    5    GLN   H      H   1    7.387     0.004   .   1   .   .   100   .   A   5    GLN   H      .   31030   1    
     48    .   1   .   1   5    5    GLN   HA     H   1    4.073     0.01    .   1   .   .   98    .   A   5    GLN   HA     .   31030   1    
     49    .   1   .   1   5    5    GLN   HB2    H   1    1.337     0.005   .   2   .   .   106   .   A   5    GLN   HB2    .   31030   1    
     50    .   1   .   1   5    5    GLN   HB3    H   1    1.495     0.02    .   2   .   .   105   .   A   5    GLN   HB3    .   31030   1    
     51    .   1   .   1   5    5    GLN   HG2    H   1    1.855     0.012   .   2   .   .   103   .   A   5    GLN   HG2    .   31030   1    
     52    .   1   .   1   5    5    GLN   HG3    H   1    1.902     0.013   .   2   .   .   101   .   A   5    GLN   HG3    .   31030   1    
     53    .   1   .   1   5    5    GLN   HE21   H   1    7.483     0.016   .   1   .   .   256   .   A   5    GLN   HE21   .   31030   1    
     54    .   1   .   1   5    5    GLN   HE22   H   1    6.835     0.011   .   1   .   .   257   .   A   5    GLN   HE22   .   31030   1    
     55    .   1   .   1   5    5    GLN   CA     C   13   58.694    .       .   1   .   .   99    .   A   5    GLN   CA     .   31030   1    
     56    .   1   .   1   5    5    GLN   CB     C   13   24.923    0.021   .   1   .   .   104   .   A   5    GLN   CB     .   31030   1    
     57    .   1   .   1   5    5    GLN   CG     C   13   32.788    0.003   .   1   .   .   102   .   A   5    GLN   CG     .   31030   1    
     58    .   1   .   1   6    6    GLU   H      H   1    8.101     0.007   .   1   .   .   89    .   A   6    GLU   H      .   31030   1    
     59    .   1   .   1   6    6    GLU   HA     H   1    4.203     0.012   .   1   .   .   96    .   A   6    GLU   HA     .   31030   1    
     60    .   1   .   1   6    6    GLU   HB2    H   1    1.983     0.013   .   1   .   .   95    .   A   6    GLU   HB2    .   31030   1    
     61    .   1   .   1   6    6    GLU   HB3    H   1    1.983     0.013   .   1   .   .   93    .   A   6    GLU   HB3    .   31030   1    
     62    .   1   .   1   6    6    GLU   HG2    H   1    2.310     0.011   .   2   .   .   92    .   A   6    GLU   HG2    .   31030   1    
     63    .   1   .   1   6    6    GLU   HG3    H   1    2.310     0.011   .   2   .   .   90    .   A   6    GLU   HG3    .   31030   1    
     64    .   1   .   1   6    6    GLU   CA     C   13   57.107    .       .   1   .   .   97    .   A   6    GLU   CA     .   31030   1    
     65    .   1   .   1   6    6    GLU   CB     C   13   29.325    .       .   1   .   .   94    .   A   6    GLU   CB     .   31030   1    
     66    .   1   .   1   6    6    GLU   CG     C   13   34.171    .       .   1   .   .   91    .   A   6    GLU   CG     .   31030   1    
     67    .   1   .   1   7    7    TRP   H      H   1    8.279     0.006   .   1   .   .   57    .   A   7    TRP   H      .   31030   1    
     68    .   1   .   1   7    7    TRP   HA     H   1    4.472     0.009   .   1   .   .   65    .   A   7    TRP   HA     .   31030   1    
     69    .   1   .   1   7    7    TRP   HB2    H   1    3.247     0.006   .   2   .   .   62    .   A   7    TRP   HB2    .   31030   1    
     70    .   1   .   1   7    7    TRP   HB3    H   1    3.362     0.01    .   2   .   .   60    .   A   7    TRP   HB3    .   31030   1    
     71    .   1   .   1   7    7    TRP   HD1    H   1    7.188     0.005   .   1   .   .   59    .   A   7    TRP   HD1    .   31030   1    
     72    .   1   .   1   7    7    TRP   HE1    H   1    9.967     0.001   .   1   .   .   58    .   A   7    TRP   HE1    .   31030   1    
     73    .   1   .   1   7    7    TRP   HE3    H   1    7.130     0.006   .   1   .   .   87    .   A   7    TRP   HE3    .   31030   1    
     74    .   1   .   1   7    7    TRP   HZ2    H   1    7.417     0.006   .   1   .   .   80    .   A   7    TRP   HZ2    .   31030   1    
     75    .   1   .   1   7    7    TRP   HZ3    H   1    7.614     0.01    .   1   .   .   82    .   A   7    TRP   HZ3    .   31030   1    
     76    .   1   .   1   7    7    TRP   HH2    H   1    7.135     0.003   .   1   .   .   81    .   A   7    TRP   HH2    .   31030   1    
     77    .   1   .   1   7    7    TRP   CA     C   13   59.279    .       .   1   .   .   64    .   A   7    TRP   CA     .   31030   1    
     78    .   1   .   1   7    7    TRP   CB     C   13   29.283    0.041   .   1   .   .   61    .   A   7    TRP   CB     .   31030   1    
     79    .   1   .   1   7    7    TRP   CD1    C   13   126.987   .       .   1   .   .   86    .   A   7    TRP   CD1    .   31030   1    
     80    .   1   .   1   7    7    TRP   CE3    C   13   124.386   .       .   1   .   .   88    .   A   7    TRP   CE3    .   31030   1    
     81    .   1   .   1   7    7    TRP   CZ2    C   13   114.521   .       .   1   .   .   84    .   A   7    TRP   CZ2    .   31030   1    
     82    .   1   .   1   7    7    TRP   CZ3    C   13   121.267   .       .   1   .   .   83    .   A   7    TRP   CZ3    .   31030   1    
     83    .   1   .   1   7    7    TRP   CH2    C   13   121.916   .       .   1   .   .   85    .   A   7    TRP   CH2    .   31030   1    
     84    .   1   .   1   8    8    AIB   H      H   1    8.099     0.004   .   1   .   .   254   .   A   8    AIB   H      .   31030   1    
     85    .   1   .   1   8    8    AIB   CB1    C   13   28.287    .       .   1   .   .   154   .   A   8    AIB   CB1    .   31030   1    
     86    .   1   .   1   8    8    AIB   CB2    C   13   25.648    .       .   1   .   .   152   .   A   8    AIB   CB2    .   31030   1    
     87    .   1   .   1   8    8    AIB   HB11   H   1    1.433     0.008   .   2   .   .   153   .   A   8    AIB   HB11   .   31030   1    
     88    .   1   .   1   8    8    AIB   HB21   H   1    1.337     0.005   .   2   .   .   151   .   A   8    AIB   HB21   .   31030   1    
     89    .   1   .   1   9    9    LYS   H      H   1    8.377     0.009   .   1   .   .   218   .   A   9    LYS   H      .   31030   1    
     90    .   1   .   1   9    9    LYS   HA     H   1    4.110     0.014   .   1   .   .   184   .   A   9    LYS   HA     .   31030   1    
     91    .   1   .   1   9    9    LYS   HB2    H   1    1.796     0.013   .   1   .   .   229   .   A   9    LYS   HB2    .   31030   1    
     92    .   1   .   1   9    9    LYS   HB3    H   1    1.796     0.013   .   1   .   .   227   .   A   9    LYS   HB3    .   31030   1    
     93    .   1   .   1   9    9    LYS   HG2    H   1    2.238     0.002   .   2   .   .   189   .   A   9    LYS   HG2    .   31030   1    
     94    .   1   .   1   9    9    LYS   HG3    H   1    2.231     0.004   .   2   .   .   187   .   A   9    LYS   HG3    .   31030   1    
     95    .   1   .   1   9    9    LYS   HD2    H   1    1.912     0.005   .   2   .   .   192   .   A   9    LYS   HD2    .   31030   1    
     96    .   1   .   1   9    9    LYS   HD3    H   1    2.238     0.001   .   2   .   .   190   .   A   9    LYS   HD3    .   31030   1    
     97    .   1   .   1   9    9    LYS   HE2    H   1    2.972     .       .   1   .   .   226   .   A   9    LYS   HE2    .   31030   1    
     98    .   1   .   1   9    9    LYS   HE3    H   1    2.972     .       .   1   .   .   224   .   A   9    LYS   HE3    .   31030   1    
     99    .   1   .   1   9    9    LYS   CA     C   13   58.298    .       .   1   .   .   185   .   A   9    LYS   CA     .   31030   1    
     100   .   1   .   1   9    9    LYS   CB     C   13   33.193    .       .   1   .   .   228   .   A   9    LYS   CB     .   31030   1    
     101   .   1   .   1   9    9    LYS   CG     C   13   36.458    .       .   1   .   .   188   .   A   9    LYS   CG     .   31030   1    
     102   .   1   .   1   9    9    LYS   CD     C   13   29.565    0.012   .   1   .   .   191   .   A   9    LYS   CD     .   31030   1    
     103   .   1   .   1   9    9    LYS   CE     C   13   42.157    .       .   1   .   .   225   .   A   9    LYS   CE     .   31030   1    
     104   .   1   .   1   10   10   ILE   H      H   1    8.381     0.004   .   1   .   .   12    .   A   10   ILE   H      .   31030   1    
     105   .   1   .   1   10   10   ILE   HA     H   1    3.787     0.003   .   1   .   .   10    .   A   10   ILE   HA     .   31030   1    
     106   .   1   .   1   10   10   ILE   HB     H   1    1.738     0.003   .   1   .   .   8     .   A   10   ILE   HB     .   31030   1    
     107   .   1   .   1   10   10   ILE   HG12   H   1    1.168     0.003   .   2   .   .   199   .   A   10   ILE   HG12   .   31030   1    
     108   .   1   .   1   10   10   ILE   HG13   H   1    1.557     0.004   .   2   .   .   197   .   A   10   ILE   HG13   .   31030   1    
     109   .   1   .   1   10   10   ILE   HG21   H   1    0.263     0.005   .   1   .   .   3     .   A   10   ILE   HG21   .   31030   1    
     110   .   1   .   1   10   10   ILE   HG22   H   1    0.263     0.005   .   1   .   .   3     .   A   10   ILE   HG22   .   31030   1    
     111   .   1   .   1   10   10   ILE   HG23   H   1    0.263     0.005   .   1   .   .   3     .   A   10   ILE   HG23   .   31030   1    
     112   .   1   .   1   10   10   ILE   HD11   H   1    0.838     0.004   .   1   .   .   1     .   A   10   ILE   HD11   .   31030   1    
     113   .   1   .   1   10   10   ILE   HD12   H   1    0.838     0.004   .   1   .   .   1     .   A   10   ILE   HD12   .   31030   1    
     114   .   1   .   1   10   10   ILE   HD13   H   1    0.838     0.004   .   1   .   .   1     .   A   10   ILE   HD13   .   31030   1    
     115   .   1   .   1   10   10   ILE   CA     C   13   63.737    .       .   1   .   .   11    .   A   10   ILE   CA     .   31030   1    
     116   .   1   .   1   10   10   ILE   CB     C   13   32.130    .       .   1   .   .   9     .   A   10   ILE   CB     .   31030   1    
     117   .   1   .   1   10   10   ILE   CG1    C   13   28.338    0.005   .   1   .   .   198   .   A   10   ILE   CG1    .   31030   1    
     118   .   1   .   1   10   10   ILE   CG2    C   13   20.485    .       .   1   .   .   4     .   A   10   ILE   CG2    .   31030   1    
     119   .   1   .   1   10   10   ILE   CD1    C   13   13.023    .       .   1   .   .   2     .   A   10   ILE   CD1    .   31030   1    
     120   .   1   .   1   11   11   GLU   H      H   1    8.727     0.003   .   1   .   .   22    .   A   11   GLU   H      .   31030   1    
     121   .   1   .   1   11   11   GLU   HA     H   1    3.943     0.006   .   1   .   .   14    .   A   11   GLU   HA     .   31030   1    
     122   .   1   .   1   11   11   GLU   HB2    H   1    1.996     0.013   .   1   .   .   18    .   A   11   GLU   HB2    .   31030   1    
     123   .   1   .   1   11   11   GLU   HB3    H   1    1.996     0.013   .   1   .   .   16    .   A   11   GLU   HB3    .   31030   1    
     124   .   1   .   1   11   11   GLU   HG2    H   1    2.191     0.019   .   2   .   .   21    .   A   11   GLU   HG2    .   31030   1    
     125   .   1   .   1   11   11   GLU   HG3    H   1    2.341     0.008   .   2   .   .   19    .   A   11   GLU   HG3    .   31030   1    
     126   .   1   .   1   11   11   GLU   CA     C   13   59.449    .       .   1   .   .   15    .   A   11   GLU   CA     .   31030   1    
     127   .   1   .   1   11   11   GLU   CB     C   13   29.758    .       .   1   .   .   17    .   A   11   GLU   CB     .   31030   1    
     128   .   1   .   1   11   11   GLU   CG     C   13   36.578    0.001   .   1   .   .   20    .   A   11   GLU   CG     .   31030   1    
     129   .   1   .   1   12   12   CYS   H      H   1    7.572     0.007   .   1   .   .   72    .   A   12   CYS   H      .   31030   1    
     130   .   1   .   1   12   12   CYS   HA     H   1    4.435     0.007   .   1   .   .   70    .   A   12   CYS   HA     .   31030   1    
     131   .   1   .   1   12   12   CYS   HB2    H   1    3.372     0.003   .   2   .   .   69    .   A   12   CYS   HB2    .   31030   1    
     132   .   1   .   1   12   12   CYS   HB3    H   1    2.956     0.005   .   2   .   .   67    .   A   12   CYS   HB3    .   31030   1    
     133   .   1   .   1   12   12   CYS   CA     C   13   57.054    .       .   1   .   .   71    .   A   12   CYS   CA     .   31030   1    
     134   .   1   .   1   12   12   CYS   CB     C   13   39.310    0.012   .   1   .   .   68    .   A   12   CYS   CB     .   31030   1    
     135   .   1   .   1   13   13   GLU   H      H   1    8.287     0.007   .   1   .   .   230   .   A   13   GLU   H      .   31030   1    
     136   .   1   .   1   13   13   GLU   HA     H   1    4.208     0.008   .   1   .   .   232   .   A   13   GLU   HA     .   31030   1    
     137   .   1   .   1   13   13   GLU   HB2    H   1    2.043     0.01    .   1   .   .   238   .   A   13   GLU   HB2    .   31030   1    
     138   .   1   .   1   13   13   GLU   HB3    H   1    2.043     0.01    .   1   .   .   236   .   A   13   GLU   HB3    .   31030   1    
     139   .   1   .   1   13   13   GLU   HG2    H   1    2.235     0.003   .   1   .   .   235   .   A   13   GLU   HG2    .   31030   1    
     140   .   1   .   1   13   13   GLU   HG3    H   1    2.235     0.003   .   1   .   .   233   .   A   13   GLU   HG3    .   31030   1    
     141   .   1   .   1   13   13   GLU   CA     C   13   57.866    .       .   1   .   .   231   .   A   13   GLU   CA     .   31030   1    
     142   .   1   .   1   13   13   GLU   CB     C   13   29.804    .       .   1   .   .   237   .   A   13   GLU   CB     .   31030   1    
     143   .   1   .   1   13   13   GLU   CG     C   13   36.458    .       .   1   .   .   234   .   A   13   GLU   CG     .   31030   1    
     144   .   1   .   1   14   14   VAL   H      H   1    8.451     0.004   .   1   .   .   31    .   A   14   VAL   H      .   31030   1    
     145   .   1   .   1   14   14   VAL   HA     H   1    4.225     0.006   .   1   .   .   29    .   A   14   VAL   HA     .   31030   1    
     146   .   1   .   1   14   14   VAL   HB     H   1    1.578     0.011   .   1   .   .   27    .   A   14   VAL   HB     .   31030   1    
     147   .   1   .   1   14   14   VAL   HG11   H   1    0.887     0.003   .   2   .   .   23    .   A   14   VAL   HG11   .   31030   1    
     148   .   1   .   1   14   14   VAL   HG12   H   1    0.887     0.003   .   2   .   .   23    .   A   14   VAL   HG12   .   31030   1    
     149   .   1   .   1   14   14   VAL   HG13   H   1    0.887     0.003   .   2   .   .   23    .   A   14   VAL   HG13   .   31030   1    
     150   .   1   .   1   14   14   VAL   HG21   H   1    0.821     0.011   .   2   .   .   25    .   A   14   VAL   HG21   .   31030   1    
     151   .   1   .   1   14   14   VAL   HG22   H   1    0.821     0.011   .   2   .   .   25    .   A   14   VAL   HG22   .   31030   1    
     152   .   1   .   1   14   14   VAL   HG23   H   1    0.821     0.011   .   2   .   .   25    .   A   14   VAL   HG23   .   31030   1    
     153   .   1   .   1   14   14   VAL   CA     C   13   56.444    .       .   1   .   .   30    .   A   14   VAL   CA     .   31030   1    
     154   .   1   .   1   14   14   VAL   CB     C   13   27.039    .       .   1   .   .   28    .   A   14   VAL   CB     .   31030   1    
     155   .   1   .   1   14   14   VAL   CG1    C   13   24.921    .       .   2   .   .   24    .   A   14   VAL   CG1    .   31030   1    
     156   .   1   .   1   14   14   VAL   CG2    C   13   23.511    .       .   2   .   .   26    .   A   14   VAL   CG2    .   31030   1    
     157   .   1   .   1   15   15   TYR   H      H   1    7.108     0.018   .   1   .   .   183   .   A   15   TYR   H      .   31030   1    
     158   .   1   .   1   15   15   TYR   HA     H   1    4.625     0.012   .   1   .   .   180   .   A   15   TYR   HA     .   31030   1    
     159   .   1   .   1   15   15   TYR   HB2    H   1    3.100     0.002   .   2   .   .   179   .   A   15   TYR   HB2    .   31030   1    
     160   .   1   .   1   15   15   TYR   HB3    H   1    3.333     0.004   .   2   .   .   177   .   A   15   TYR   HB3    .   31030   1    
     161   .   1   .   1   15   15   TYR   HD1    H   1    7.127     0.004   .   1   .   .   155   .   A   15   TYR   HD1    .   31030   1    
     162   .   1   .   1   15   15   TYR   HD2    H   1    7.127     0.004   .   1   .   .   155   .   A   15   TYR   HD2    .   31030   1    
     163   .   1   .   1   15   15   TYR   HE1    H   1    6.822     0.002   .   1   .   .   157   .   A   15   TYR   HE1    .   31030   1    
     164   .   1   .   1   15   15   TYR   HE2    H   1    6.822     0.002   .   1   .   .   157   .   A   15   TYR   HE2    .   31030   1    
     165   .   1   .   1   15   15   TYR   CA     C   13   58.563    .       .   1   .   .   181   .   A   15   TYR   CA     .   31030   1    
     166   .   1   .   1   15   15   TYR   CB     C   13   38.648    0.013   .   1   .   .   178   .   A   15   TYR   CB     .   31030   1    
     167   .   1   .   1   15   15   TYR   CD1    C   13   133.037   .       .   1   .   .   156   .   A   15   TYR   CD1    .   31030   1    
     168   .   1   .   1   15   15   TYR   CD2    C   13   133.037   .       .   1   .   .   156   .   A   15   TYR   CD2    .   31030   1    
     169   .   1   .   1   15   15   TYR   CE1    C   13   118.452   .       .   1   .   .   158   .   A   15   TYR   CE1    .   31030   1    
     170   .   1   .   1   15   15   TYR   CE2    C   13   118.452   .       .   1   .   .   158   .   A   15   TYR   CE2    .   31030   1    
     171   .   1   .   1   16   16   GLY   H      H   1    7.585     0.01    .   1   .   .   55    .   A   16   GLY   H      .   31030   1    
     172   .   1   .   1   16   16   GLY   HA2    H   1    3.968     0.017   .   2   .   .   54    .   A   16   GLY   HA2    .   31030   1    
     173   .   1   .   1   16   16   GLY   HA3    H   1    4.034     0.013   .   2   .   .   52    .   A   16   GLY   HA3    .   31030   1    
     174   .   1   .   1   16   16   GLY   CA     C   13   46.635    0.007   .   1   .   .   53    .   A   16   GLY   CA     .   31030   1    
     175   .   1   .   1   17   17   LYS   H      H   1    8.081     0.008   .   1   .   .   120   .   A   17   LYS   H      .   31030   1    
     176   .   1   .   1   17   17   LYS   HA     H   1    4.509     0.014   .   1   .   .   122   .   A   17   LYS   HA     .   31030   1    
     177   .   1   .   1   17   17   LYS   HB2    H   1    1.766     0.018   .   2   .   .   109   .   A   17   LYS   HB2    .   31030   1    
     178   .   1   .   1   17   17   LYS   HB3    H   1    1.618     0.007   .   2   .   .   107   .   A   17   LYS   HB3    .   31030   1    
     179   .   1   .   1   17   17   LYS   HG2    H   1    1.281     0.008   .   2   .   .   132   .   A   17   LYS   HG2    .   31030   1    
     180   .   1   .   1   17   17   LYS   HG3    H   1    1.343     0.007   .   2   .   .   130   .   A   17   LYS   HG3    .   31030   1    
     181   .   1   .   1   17   17   LYS   HD2    H   1    1.619     0.004   .   2   .   .   128   .   A   17   LYS   HD2    .   31030   1    
     182   .   1   .   1   17   17   LYS   HD3    H   1    1.620     0.004   .   2   .   .   127   .   A   17   LYS   HD3    .   31030   1    
     183   .   1   .   1   17   17   LYS   HE2    H   1    2.950     0.005   .   1   .   .   126   .   A   17   LYS   HE2    .   31030   1    
     184   .   1   .   1   17   17   LYS   HE3    H   1    2.950     0.005   .   1   .   .   125   .   A   17   LYS   HE3    .   31030   1    
     185   .   1   .   1   17   17   LYS   CA     C   13   55.289    .       .   1   .   .   123   .   A   17   LYS   CA     .   31030   1    
     186   .   1   .   1   17   17   LYS   CB     C   13   31.958    0.01    .   1   .   .   108   .   A   17   LYS   CB     .   31030   1    
     187   .   1   .   1   17   17   LYS   CG     C   13   24.441    0.026   .   1   .   .   131   .   A   17   LYS   CG     .   31030   1    
     188   .   1   .   1   17   17   LYS   CD     C   13   29.248    .       .   1   .   .   129   .   A   17   LYS   CD     .   31030   1    
     189   .   1   .   1   17   17   LYS   CE     C   13   42.125    .       .   1   .   .   124   .   A   17   LYS   CE     .   31030   1    
     190   .   1   .   1   18   18   CYS   H      H   1    7.089     0.004   .   1   .   .   79    .   A   18   CYS   H      .   31030   1    
     191   .   1   .   1   18   18   CYS   HA     H   1    4.628     0.01    .   1   .   .   73    .   A   18   CYS   HA     .   31030   1    
     192   .   1   .   1   18   18   CYS   HB2    H   1    3.104     0.006   .   2   .   .   77    .   A   18   CYS   HB2    .   31030   1    
     193   .   1   .   1   18   18   CYS   HB3    H   1    3.336     0.009   .   2   .   .   75    .   A   18   CYS   HB3    .   31030   1    
     194   .   1   .   1   18   18   CYS   CA     C   13   58.486    .       .   1   .   .   74    .   A   18   CYS   CA     .   31030   1    
     195   .   1   .   1   18   18   CYS   CB     C   13   38.608    0.009   .   1   .   .   76    .   A   18   CYS   CB     .   31030   1    
     196   .   1   .   1   19   19   PRO   HA     H   1    4.383     0.003   .   1   .   .   133   .   A   19   PRO   HA     .   31030   1    
     197   .   1   .   1   19   19   PRO   HB2    H   1    2.285     0.013   .   2   .   .   138   .   A   19   PRO   HB2    .   31030   1    
     198   .   1   .   1   19   19   PRO   HB3    H   1    1.858     0.01    .   2   .   .   140   .   A   19   PRO   HB3    .   31030   1    
     199   .   1   .   1   19   19   PRO   HG2    H   1    2.009     0.005   .   1   .   .   163   .   A   19   PRO   HG2    .   31030   1    
     200   .   1   .   1   19   19   PRO   HG3    H   1    2.009     0.005   .   1   .   .   165   .   A   19   PRO   HG3    .   31030   1    
     201   .   1   .   1   19   19   PRO   HD2    H   1    3.782     0.005   .   2   .   .   135   .   A   19   PRO   HD2    .   31030   1    
     202   .   1   .   1   19   19   PRO   HD3    H   1    3.617     0.012   .   2   .   .   137   .   A   19   PRO   HD3    .   31030   1    
     203   .   1   .   1   19   19   PRO   CA     C   13   62.879    .       .   1   .   .   134   .   A   19   PRO   CA     .   31030   1    
     204   .   1   .   1   19   19   PRO   CB     C   13   32.092    0.026   .   1   .   .   139   .   A   19   PRO   CB     .   31030   1    
     205   .   1   .   1   19   19   PRO   CG     C   13   27.390    .       .   1   .   .   164   .   A   19   PRO   CG     .   31030   1    
     206   .   1   .   1   19   19   PRO   CD     C   13   50.504    0.017   .   1   .   .   136   .   A   19   PRO   CD     .   31030   1    
     207   .   1   .   1   20   20   PRO   HA     H   1    4.687     0.002   .   1   .   .   166   .   A   20   PRO   HA     .   31030   1    
     208   .   1   .   1   20   20   PRO   HB2    H   1    1.877     0.005   .   2   .   .   141   .   A   20   PRO   HB2    .   31030   1    
     209   .   1   .   1   20   20   PRO   HB3    H   1    2.334     0.009   .   2   .   .   143   .   A   20   PRO   HB3    .   31030   1    
     210   .   1   .   1   20   20   PRO   HG2    H   1    2.058     .       .   1   .   .   172   .   A   20   PRO   HG2    .   31030   1    
     211   .   1   .   1   20   20   PRO   HG3    H   1    2.058     .       .   1   .   .   173   .   A   20   PRO   HG3    .   31030   1    
     212   .   1   .   1   20   20   PRO   HD2    H   1    3.777     0.001   .   2   .   .   168   .   A   20   PRO   HD2    .   31030   1    
     213   .   1   .   1   20   20   PRO   HD3    H   1    3.674     0.005   .   2   .   .   170   .   A   20   PRO   HD3    .   31030   1    
     214   .   1   .   1   20   20   PRO   CA     C   13   61.601    .       .   1   .   .   167   .   A   20   PRO   CA     .   31030   1    
     215   .   1   .   1   20   20   PRO   CB     C   13   30.836    0.016   .   1   .   .   142   .   A   20   PRO   CB     .   31030   1    
     216   .   1   .   1   20   20   PRO   CG     C   13   29.804    .       .   1   .   .   171   .   A   20   PRO   CG     .   31030   1    
     217   .   1   .   1   20   20   PRO   CD     C   13   50.520    0.002   .   1   .   .   169   .   A   20   PRO   CD     .   31030   1    
     218   .   1   .   1   21   21   LYS   H      H   1    8.383     0.008   .   1   .   .   203   .   A   21   LYS   H      .   31030   1    
     219   .   1   .   1   21   21   LYS   HA     H   1    4.243     0.008   .   1   .   .   204   .   A   21   LYS   HA     .   31030   1    
     220   .   1   .   1   21   21   LYS   HB2    H   1    1.741     0.01    .   1   .   .   214   .   A   21   LYS   HB2    .   31030   1    
     221   .   1   .   1   21   21   LYS   HB3    H   1    1.741     0.01    .   1   .   .   212   .   A   21   LYS   HB3    .   31030   1    
     222   .   1   .   1   21   21   LYS   HG2    H   1    1.431     0.0     .   1   .   .   211   .   A   21   LYS   HG2    .   31030   1    
     223   .   1   .   1   21   21   LYS   HG3    H   1    1.431     0.0     .   1   .   .   209   .   A   21   LYS   HG3    .   31030   1    
     224   .   1   .   1   21   21   LYS   HD2    H   1    1.661     .       .   1   .   .   217   .   A   21   LYS   HD2    .   31030   1    
     225   .   1   .   1   21   21   LYS   HD3    H   1    1.661     .       .   1   .   .   215   .   A   21   LYS   HD3    .   31030   1    
     226   .   1   .   1   21   21   LYS   HE2    H   1    2.972     .       .   1   .   .   208   .   A   21   LYS   HE2    .   31030   1    
     227   .   1   .   1   21   21   LYS   HE3    H   1    2.972     .       .   1   .   .   206   .   A   21   LYS   HE3    .   31030   1    
     228   .   1   .   1   21   21   LYS   CA     C   13   56.223    .       .   1   .   .   205   .   A   21   LYS   CA     .   31030   1    
     229   .   1   .   1   21   21   LYS   CB     C   13   33.153    .       .   1   .   .   213   .   A   21   LYS   CB     .   31030   1    
     230   .   1   .   1   21   21   LYS   CG     C   13   24.783    .       .   1   .   .   210   .   A   21   LYS   CG     .   31030   1    
     231   .   1   .   1   21   21   LYS   CD     C   13   29.215    .       .   1   .   .   216   .   A   21   LYS   CD     .   31030   1    
     232   .   1   .   1   21   21   LYS   CE     C   13   42.157    .       .   1   .   .   207   .   A   21   LYS   CE     .   31030   1    
     233   .   1   .   1   22   22   LYN   H      H   1    8.353     .       .   1   .   .   253   .   A   23   LYN   H      .   31030   1    
     234   .   1   .   1   22   22   LYN   CA     C   13   56.136    .       .   1   .   .   252   .   A   23   LYN   CA     .   31030   1    
     235   .   1   .   1   22   22   LYN   CB     C   13   33.193    .       .   1   .   .   243   .   A   23   LYN   CB     .   31030   1    
     236   .   1   .   1   22   22   LYN   CD     C   13   29.215    .       .   1   .   .   246   .   A   23   LYN   CD     .   31030   1    
     237   .   1   .   1   22   22   LYN   CE     C   13   42.157    .       .   1   .   .   250   .   A   23   LYN   CE     .   31030   1    
     238   .   1   .   1   22   22   LYN   CG     C   13   24.783    .       .   1   .   .   240   .   A   23   LYN   CG     .   31030   1    
     239   .   1   .   1   22   22   LYN   HA     H   1    4.254     0.004   .   1   .   .   251   .   A   23   LYN   HA     .   31030   1    
     240   .   1   .   1   22   22   LYN   HB2    H   1    1.789     0.007   .   1   .   .   242   .   A   23   LYN   HB2    .   31030   1    
     241   .   1   .   1   22   22   LYN   HB3    H   1    1.789     0.007   .   1   .   .   244   .   A   23   LYN   HB3    .   31030   1    
     242   .   1   .   1   22   22   LYN   HD2    H   1    1.661     .       .   1   .   .   245   .   A   23   LYN   HD2    .   31030   1    
     243   .   1   .   1   22   22   LYN   HD3    H   1    1.661     .       .   1   .   .   247   .   A   23   LYN   HD3    .   31030   1    
     244   .   1   .   1   22   22   LYN   HE2    H   1    2.972     .       .   1   .   .   248   .   A   23   LYN   HE2    .   31030   1    
     245   .   1   .   1   22   22   LYN   HE3    H   1    2.972     .       .   1   .   .   249   .   A   23   LYN   HE3    .   31030   1    
     246   .   1   .   1   22   22   LYN   HG2    H   1    1.430     .       .   1   .   .   239   .   A   23   LYN   HG2    .   31030   1    
     247   .   1   .   1   22   22   LYN   HG3    H   1    1.430     .       .   1   .   .   241   .   A   23   LYN   HG3    .   31030   1    

   stop_

save_