###################################
     #  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                     34619
   _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'   .   .   .   34619   1    
     2   '2D 1H-1H TOCSY'   .   .   .   34619   1    
     3   '2D 1H-1H TOCSY'   .   .   .   34619   1    
     4   '2D 1H-1H NOESY'   .   .   .   34619   1    
     5   '2D 1H-1H NOESY'   .   .   .   34619   1    
     6   '2D 1H-1H COSY'    .   .   .   34619   1    
     7   '2D 1H-13C HMQC'   .   .   .   34619   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    ALA   CB     C   13   19.3     0.1    .   1   .   .   .   .   A   2    ALA   CB     .   34619   1    
     2     .   1   .   1   2    2    CYS   HA     H   1    4.858    0.01   .   1   .   .   .   .   A   3    CYS   HA     .   34619   1    
     3     .   1   .   1   2    2    CYS   HB2    H   1    3.278    0.01   .   2   .   .   .   .   A   3    CYS   HB2    .   34619   1    
     4     .   1   .   1   2    2    CYS   HB3    H   1    2.958    0.01   .   2   .   .   .   .   A   3    CYS   HB3    .   34619   1    
     5     .   1   .   1   2    2    CYS   CA     C   13   54.8     0.1    .   1   .   .   .   .   A   3    CYS   CA     .   34619   1    
     6     .   1   .   1   2    2    CYS   CB     C   13   36       0.1    .   1   .   .   .   .   A   3    CYS   CB     .   34619   1    
     7     .   1   .   1   3    3    LYS   H      H   1    8.238    0.01   .   1   .   .   .   .   A   4    LYS   H      .   34619   1    
     8     .   1   .   1   3    3    LYS   HA     H   1    4.578    0.01   .   1   .   .   .   .   A   4    LYS   HA     .   34619   1    
     9     .   1   .   1   3    3    LYS   HB2    H   1    1.698    0.01   .   2   .   .   .   .   A   4    LYS   HB2    .   34619   1    
     10    .   1   .   1   3    3    LYS   HB3    H   1    1.828    0.01   .   2   .   .   .   .   A   4    LYS   HB3    .   34619   1    
     11    .   1   .   1   3    3    LYS   HG3    H   1    1.398    0.01   .   2   .   .   .   .   A   4    LYS   HG3    .   34619   1    
     12    .   1   .   1   3    3    LYS   HD3    H   1    1.098    0.01   .   2   .   .   .   .   A   4    LYS   HD3    .   34619   1    
     13    .   1   .   1   3    3    LYS   HE3    H   1    2.998    0.01   .   2   .   .   .   .   A   4    LYS   HE3    .   34619   1    
     14    .   1   .   1   3    3    LYS   CA     C   13   54.8     0.1    .   1   .   .   .   .   A   4    LYS   CA     .   34619   1    
     15    .   1   .   1   3    3    LYS   CB     C   13   35.5     0.1    .   1   .   .   .   .   A   4    LYS   CB     .   34619   1    
     16    .   1   .   1   3    3    LYS   N      N   15   125.2    0.1    .   1   .   .   .   .   A   4    LYS   N      .   34619   1    
     17    .   1   .   1   4    4    ASP   H      H   1    8.648    0.01   .   1   .   .   .   .   A   5    ASP   H      .   34619   1    
     18    .   1   .   1   4    4    ASP   HA     H   1    4.928    0.01   .   1   .   .   .   .   A   5    ASP   HA     .   34619   1    
     19    .   1   .   1   4    4    ASP   HB2    H   1    3.228    0.01   .   2   .   .   .   .   A   5    ASP   HB2    .   34619   1    
     20    .   1   .   1   4    4    ASP   HB3    H   1    2.738    0.01   .   2   .   .   .   .   A   5    ASP   HB3    .   34619   1    
     21    .   1   .   1   4    4    ASP   CA     C   13   54.4     0.1    .   1   .   .   .   .   A   5    ASP   CA     .   34619   1    
     22    .   1   .   1   4    4    ASP   N      N   15   121.1    0.1    .   1   .   .   .   .   A   5    ASP   N      .   34619   1    
     23    .   1   .   1   5    5    TYR   H      H   1    8.708    0.01   .   1   .   .   .   .   A   6    TYR   H      .   34619   1    
     24    .   1   .   1   5    5    TYR   HA     H   1    4.798    0.01   .   1   .   .   .   .   A   6    TYR   HA     .   34619   1    
     25    .   1   .   1   5    5    TYR   HB2    H   1    3.398    0.01   .   2   .   .   .   .   A   6    TYR   HB2    .   34619   1    
     26    .   1   .   1   5    5    TYR   HB3    H   1    3.118    0.01   .   2   .   .   .   .   A   6    TYR   HB3    .   34619   1    
     27    .   1   .   1   5    5    TYR   HD2    H   1    7.238    0.01   .   3   .   .   .   .   A   6    TYR   HD2    .   34619   1    
     28    .   1   .   1   5    5    TYR   HE2    H   1    6.918    0.01   .   3   .   .   .   .   A   6    TYR   HE2    .   34619   1    
     29    .   1   .   1   5    5    TYR   CA     C   13   57.7     0.1    .   1   .   .   .   .   A   6    TYR   CA     .   34619   1    
     30    .   1   .   1   5    5    TYR   N      N   15   121.5    0.1    .   1   .   .   .   .   A   6    TYR   N      .   34619   1    
     31    .   1   .   1   6    6    LEU   H      H   1    7.138    0.01   .   1   .   .   .   .   A   7    LEU   H      .   34619   1    
     32    .   1   .   1   6    6    LEU   HA     H   1    4.758    0.01   .   1   .   .   .   .   A   7    LEU   HA     .   34619   1    
     33    .   1   .   1   6    6    LEU   HB2    H   1    1.588    0.01   .   2   .   .   .   .   A   7    LEU   HB2    .   34619   1    
     34    .   1   .   1   6    6    LEU   HB3    H   1    1.758    0.01   .   2   .   .   .   .   A   7    LEU   HB3    .   34619   1    
     35    .   1   .   1   6    6    LEU   HG     H   1    1.508    0.01   .   1   .   .   .   .   A   7    LEU   HG     .   34619   1    
     36    .   1   .   1   6    6    LEU   HD11   H   1    0.968    0.01   .   2   .   .   .   .   A   7    LEU   HD11   .   34619   1    
     37    .   1   .   1   6    6    LEU   HD12   H   1    0.968    0.01   .   2   .   .   .   .   A   7    LEU   HD12   .   34619   1    
     38    .   1   .   1   6    6    LEU   HD13   H   1    0.968    0.01   .   2   .   .   .   .   A   7    LEU   HD13   .   34619   1    
     39    .   1   .   1   6    6    LEU   HD21   H   1    0.928    0.01   .   2   .   .   .   .   A   7    LEU   HD21   .   34619   1    
     40    .   1   .   1   6    6    LEU   HD22   H   1    0.928    0.01   .   2   .   .   .   .   A   7    LEU   HD22   .   34619   1    
     41    .   1   .   1   6    6    LEU   HD23   H   1    0.928    0.01   .   2   .   .   .   .   A   7    LEU   HD23   .   34619   1    
     42    .   1   .   1   6    6    LEU   CA     C   13   51.8     0.1    .   1   .   .   .   .   A   7    LEU   CA     .   34619   1    
     43    .   1   .   1   6    6    LEU   N      N   15   118.7    0.1    .   1   .   .   .   .   A   7    LEU   N      .   34619   1    
     44    .   1   .   1   7    7    PRO   HA     H   1    4.508    0.01   .   1   .   .   .   .   A   8    PRO   HA     .   34619   1    
     45    .   1   .   1   7    7    PRO   HB2    H   1    2.028    0.01   .   2   .   .   .   .   A   8    PRO   HB2    .   34619   1    
     46    .   1   .   1   7    7    PRO   HB3    H   1    2.518    0.01   .   2   .   .   .   .   A   8    PRO   HB3    .   34619   1    
     47    .   1   .   1   7    7    PRO   HG2    H   1    2.078    0.01   .   2   .   .   .   .   A   8    PRO   HG2    .   34619   1    
     48    .   1   .   1   7    7    PRO   HG3    H   1    2.078    0.01   .   2   .   .   .   .   A   8    PRO   HG3    .   34619   1    
     49    .   1   .   1   7    7    PRO   HD2    H   1    3.458    0.01   .   2   .   .   .   .   A   8    PRO   HD2    .   34619   1    
     50    .   1   .   1   7    7    PRO   HD3    H   1    3.758    0.01   .   2   .   .   .   .   A   8    PRO   HD3    .   34619   1    
     51    .   1   .   1   7    7    PRO   CA     C   13   60.7     0.1    .   1   .   .   .   .   A   8    PRO   CA     .   34619   1    
     52    .   1   .   1   8    8    LYS   H      H   1    8.478    0.01   .   1   .   .   .   .   A   9    LYS   H      .   34619   1    
     53    .   1   .   1   8    8    LYS   HA     H   1    4.128    0.01   .   1   .   .   .   .   A   9    LYS   HA     .   34619   1    
     54    .   1   .   1   8    8    LYS   HB2    H   1    1.868    0.01   .   2   .   .   .   .   A   9    LYS   HB2    .   34619   1    
     55    .   1   .   1   8    8    LYS   HB3    H   1    1.948    0.01   .   2   .   .   .   .   A   9    LYS   HB3    .   34619   1    
     56    .   1   .   1   8    8    LYS   HG3    H   1    1.748    0.01   .   2   .   .   .   .   A   9    LYS   HG3    .   34619   1    
     57    .   1   .   1   8    8    LYS   HD3    H   1    1.558    0.01   .   2   .   .   .   .   A   9    LYS   HD3    .   34619   1    
     58    .   1   .   1   8    8    LYS   HE3    H   1    3.358    0.01   .   2   .   .   .   .   A   9    LYS   HE3    .   34619   1    
     59    .   1   .   1   8    8    LYS   CA     C   13   58.5     0.1    .   1   .   .   .   .   A   9    LYS   CA     .   34619   1    
     60    .   1   .   1   8    8    LYS   N      N   15   122.6    0.1    .   1   .   .   .   .   A   9    LYS   N      .   34619   1    
     61    .   1   .   1   9    9    SER   H      H   1    8.138    0.01   .   1   .   .   .   .   A   10   SER   H      .   34619   1    
     62    .   1   .   1   9    9    SER   HA     H   1    4.068    0.01   .   1   .   .   .   .   A   10   SER   HA     .   34619   1    
     63    .   1   .   1   9    9    SER   HB2    H   1    3.898    0.01   .   2   .   .   .   .   A   10   SER   HB2    .   34619   1    
     64    .   1   .   1   9    9    SER   HB3    H   1    3.968    0.01   .   2   .   .   .   .   A   10   SER   HB3    .   34619   1    
     65    .   1   .   1   9    9    SER   CA     C   13   60.2     0.1    .   1   .   .   .   .   A   10   SER   CA     .   34619   1    
     66    .   1   .   1   9    9    SER   CB     C   13   62.1     0.1    .   1   .   .   .   .   A   10   SER   CB     .   34619   1    
     67    .   1   .   1   9    9    SER   N      N   15   110.9    0.1    .   1   .   .   .   .   A   10   SER   N      .   34619   1    
     68    .   1   .   1   10   10   GLU   H      H   1    7.798    0.01   .   1   .   .   .   .   A   11   GLU   H      .   34619   1    
     69    .   1   .   1   10   10   GLU   HA     H   1    4.438    0.01   .   1   .   .   .   .   A   11   GLU   HA     .   34619   1    
     70    .   1   .   1   10   10   GLU   HB2    H   1    2.278    0.01   .   2   .   .   .   .   A   11   GLU   HB2    .   34619   1    
     71    .   1   .   1   10   10   GLU   HB3    H   1    2.128    0.01   .   2   .   .   .   .   A   11   GLU   HB3    .   34619   1    
     72    .   1   .   1   10   10   GLU   HG2    H   1    2.478    0.01   .   2   .   .   .   .   A   11   GLU   HG2    .   34619   1    
     73    .   1   .   1   10   10   GLU   HG3    H   1    2.388    0.01   .   2   .   .   .   .   A   11   GLU   HG3    .   34619   1    
     74    .   1   .   1   10   10   GLU   CA     C   13   55.8     0.1    .   1   .   .   .   .   A   11   GLU   CA     .   34619   1    
     75    .   1   .   1   10   10   GLU   N      N   15   117.8    0.1    .   1   .   .   .   .   A   11   GLU   N      .   34619   1    
     76    .   1   .   1   11   11   CYS   H      H   1    7.628    0.01   .   1   .   .   .   .   A   12   CYS   H      .   34619   1    
     77    .   1   .   1   11   11   CYS   HA     H   1    5.138    0.01   .   1   .   .   .   .   A   12   CYS   HA     .   34619   1    
     78    .   1   .   1   11   11   CYS   HB2    H   1    2.828    0.01   .   2   .   .   .   .   A   12   CYS   HB2    .   34619   1    
     79    .   1   .   1   11   11   CYS   HB3    H   1    2.888    0.01   .   2   .   .   .   .   A   12   CYS   HB3    .   34619   1    
     80    .   1   .   1   11   11   CYS   CA     C   13   52.3     0.1    .   1   .   .   .   .   A   12   CYS   CA     .   34619   1    
     81    .   1   .   1   11   11   CYS   N      N   15   119.9    0.1    .   1   .   .   .   .   A   12   CYS   N      .   34619   1    
     82    .   1   .   1   12   12   THR   H      H   1    6.948    0.01   .   1   .   .   .   .   A   13   THR   H      .   34619   1    
     83    .   1   .   1   12   12   THR   HA     H   1    4.568    0.01   .   1   .   .   .   .   A   13   THR   HA     .   34619   1    
     84    .   1   .   1   12   12   THR   HB     H   1    4.648    0.01   .   1   .   .   .   .   A   13   THR   HB     .   34619   1    
     85    .   1   .   1   12   12   THR   HG21   H   1    1.218    0.01   .   1   .   .   .   .   A   13   THR   HG21   .   34619   1    
     86    .   1   .   1   12   12   THR   HG22   H   1    1.218    0.01   .   1   .   .   .   .   A   13   THR   HG22   .   34619   1    
     87    .   1   .   1   12   12   THR   HG23   H   1    1.218    0.01   .   1   .   .   .   .   A   13   THR   HG23   .   34619   1    
     88    .   1   .   1   12   12   THR   CA     C   13   59.6     0.1    .   1   .   .   .   .   A   13   THR   CA     .   34619   1    
     89    .   1   .   1   12   12   THR   CB     C   13   70.9     0.1    .   1   .   .   .   .   A   13   THR   CB     .   34619   1    
     90    .   1   .   1   12   12   THR   N      N   15   110.1    0.1    .   1   .   .   .   .   A   13   THR   N      .   34619   1    
     91    .   1   .   1   13   13   GLN   H      H   1    8.968    0.01   .   1   .   .   .   .   A   14   GLN   H      .   34619   1    
     92    .   1   .   1   13   13   GLN   HA     H   1    3.858    0.01   .   1   .   .   .   .   A   14   GLN   HA     .   34619   1    
     93    .   1   .   1   13   13   GLN   HB2    H   1    2.168    0.01   .   2   .   .   .   .   A   14   GLN   HB2    .   34619   1    
     94    .   1   .   1   13   13   GLN   HB3    H   1    2.038    0.01   .   2   .   .   .   .   A   14   GLN   HB3    .   34619   1    
     95    .   1   .   1   13   13   GLN   HG3    H   1    2.488    0.01   .   2   .   .   .   .   A   14   GLN   HG3    .   34619   1    
     96    .   1   .   1   13   13   GLN   HE21   H   1    7.668    0.01   .   2   .   .   .   .   A   14   GLN   HE21   .   34619   1    
     97    .   1   .   1   13   13   GLN   HE22   H   1    6.748    0.01   .   2   .   .   .   .   A   14   GLN   HE22   .   34619   1    
     98    .   1   .   1   13   13   GLN   CA     C   13   59       0.1    .   1   .   .   .   .   A   14   GLN   CA     .   34619   1    
     99    .   1   .   1   13   13   GLN   N      N   15   120.6    0.1    .   1   .   .   .   .   A   14   GLN   N      .   34619   1    
     100   .   1   .   1   14   14   PHE   H      H   1    8.408    0.01   .   1   .   .   .   .   A   15   PHE   H      .   34619   1    
     101   .   1   .   1   14   14   PHE   HA     H   1    4.178    0.01   .   1   .   .   .   .   A   15   PHE   HA     .   34619   1    
     102   .   1   .   1   14   14   PHE   HB2    H   1    3.298    0.01   .   2   .   .   .   .   A   15   PHE   HB2    .   34619   1    
     103   .   1   .   1   14   14   PHE   HB3    H   1    2.818    0.01   .   2   .   .   .   .   A   15   PHE   HB3    .   34619   1    
     104   .   1   .   1   14   14   PHE   HD2    H   1    7.128    0.01   .   3   .   .   .   .   A   15   PHE   HD2    .   34619   1    
     105   .   1   .   1   14   14   PHE   HE2    H   1    7.338    0.01   .   3   .   .   .   .   A   15   PHE   HE2    .   34619   1    
     106   .   1   .   1   14   14   PHE   HZ     H   1    7.338    0.01   .   1   .   .   .   .   A   15   PHE   HZ     .   34619   1    
     107   .   1   .   1   14   14   PHE   CA     C   13   61.3     0.1    .   1   .   .   .   .   A   15   PHE   CA     .   34619   1    
     108   .   1   .   1   14   14   PHE   N      N   15   118.2    0.1    .   1   .   .   .   .   A   15   PHE   N      .   34619   1    
     109   .   1   .   1   15   15   ARG   H      H   1    7.588    0.01   .   1   .   .   .   .   A   16   ARG   H      .   34619   1    
     110   .   1   .   1   15   15   ARG   HA     H   1    3.658    0.01   .   1   .   .   .   .   A   16   ARG   HA     .   34619   1    
     111   .   1   .   1   15   15   ARG   HB2    H   1    1.638    0.01   .   2   .   .   .   .   A   16   ARG   HB2    .   34619   1    
     112   .   1   .   1   15   15   ARG   HB3    H   1    1.858    0.01   .   2   .   .   .   .   A   16   ARG   HB3    .   34619   1    
     113   .   1   .   1   15   15   ARG   HG2    H   1    1.278    0.01   .   2   .   .   .   .   A   16   ARG   HG2    .   34619   1    
     114   .   1   .   1   15   15   ARG   HG3    H   1    1.358    0.01   .   2   .   .   .   .   A   16   ARG   HG3    .   34619   1    
     115   .   1   .   1   15   15   ARG   HD2    H   1    2.048    0.01   .   2   .   .   .   .   A   16   ARG   HD2    .   34619   1    
     116   .   1   .   1   15   15   ARG   HD3    H   1    2.568    0.01   .   2   .   .   .   .   A   16   ARG   HD3    .   34619   1    
     117   .   1   .   1   15   15   ARG   CA     C   13   59.2     0.1    .   1   .   .   .   .   A   16   ARG   CA     .   34619   1    
     118   .   1   .   1   15   15   ARG   N      N   15   120.5    0.1    .   1   .   .   .   .   A   16   ARG   N      .   34619   1    
     119   .   1   .   1   16   16   CYS   H      H   1    8.108    0.01   .   1   .   .   .   .   A   17   CYS   H      .   34619   1    
     120   .   1   .   1   16   16   CYS   HA     H   1    4.188    0.01   .   1   .   .   .   .   A   17   CYS   HA     .   34619   1    
     121   .   1   .   1   16   16   CYS   HB2    H   1    3.018    0.01   .   2   .   .   .   .   A   17   CYS   HB2    .   34619   1    
     122   .   1   .   1   16   16   CYS   HB3    H   1    3.198    0.01   .   2   .   .   .   .   A   17   CYS   HB3    .   34619   1    
     123   .   1   .   1   16   16   CYS   CA     C   13   56.3     0.1    .   1   .   .   .   .   A   17   CYS   CA     .   34619   1    
     124   .   1   .   1   16   16   CYS   N      N   15   115.3    0.1    .   1   .   .   .   .   A   17   CYS   N      .   34619   1    
     125   .   1   .   1   17   17   ARG   H      H   1    7.488    0.01   .   1   .   .   .   .   A   18   ARG   H      .   34619   1    
     126   .   1   .   1   17   17   ARG   HA     H   1    4.218    0.01   .   1   .   .   .   .   A   18   ARG   HA     .   34619   1    
     127   .   1   .   1   17   17   ARG   HB2    H   1    1.728    0.01   .   2   .   .   .   .   A   18   ARG   HB2    .   34619   1    
     128   .   1   .   1   17   17   ARG   HB3    H   1    1.848    0.01   .   2   .   .   .   .   A   18   ARG   HB3    .   34619   1    
     129   .   1   .   1   17   17   ARG   HG3    H   1    1.628    0.01   .   2   .   .   .   .   A   18   ARG   HG3    .   34619   1    
     130   .   1   .   1   17   17   ARG   HD3    H   1    3.188    0.01   .   2   .   .   .   .   A   18   ARG   HD3    .   34619   1    
     131   .   1   .   1   17   17   ARG   HE     H   1    7.308    0.01   .   1   .   .   .   .   A   18   ARG   HE     .   34619   1    
     132   .   1   .   1   17   17   ARG   CA     C   13   57.5     0.1    .   1   .   .   .   .   A   18   ARG   CA     .   34619   1    
     133   .   1   .   1   17   17   ARG   N      N   15   113      0.1    .   1   .   .   .   .   A   18   ARG   N      .   34619   1    
     134   .   1   .   1   18   18   THR   H      H   1    7.318    0.01   .   1   .   .   .   .   A   19   THR   H      .   34619   1    
     135   .   1   .   1   18   18   THR   HA     H   1    4.368    0.01   .   1   .   .   .   .   A   19   THR   HA     .   34619   1    
     136   .   1   .   1   18   18   THR   HB     H   1    4.068    0.01   .   1   .   .   .   .   A   19   THR   HB     .   34619   1    
     137   .   1   .   1   18   18   THR   HG21   H   1    0.828    0.01   .   1   .   .   .   .   A   19   THR   HG21   .   34619   1    
     138   .   1   .   1   18   18   THR   HG22   H   1    0.828    0.01   .   1   .   .   .   .   A   19   THR   HG22   .   34619   1    
     139   .   1   .   1   18   18   THR   HG23   H   1    0.828    0.01   .   1   .   .   .   .   A   19   THR   HG23   .   34619   1    
     140   .   1   .   1   18   18   THR   CA     C   13   62.4     0.1    .   1   .   .   .   .   A   19   THR   CA     .   34619   1    
     141   .   1   .   1   18   18   THR   CB     C   13   71.3     0.1    .   1   .   .   .   .   A   19   THR   CB     .   34619   1    
     142   .   1   .   1   18   18   THR   N      N   15   106      0.1    .   1   .   .   .   .   A   19   THR   N      .   34619   1    
     143   .   1   .   1   19   19   SER   H      H   1    7.988    0.01   .   1   .   .   .   .   A   20   SER   H      .   34619   1    
     144   .   1   .   1   19   19   SER   HA     H   1    5.098    0.01   .   1   .   .   .   .   A   20   SER   HA     .   34619   1    
     145   .   1   .   1   19   19   SER   HB2    H   1    4.058    0.01   .   2   .   .   .   .   A   20   SER   HB2    .   34619   1    
     146   .   1   .   1   19   19   SER   HB3    H   1    3.988    0.01   .   2   .   .   .   .   A   20   SER   HB3    .   34619   1    
     147   .   1   .   1   19   19   SER   CA     C   13   56.1     0.1    .   1   .   .   .   .   A   20   SER   CA     .   34619   1    
     148   .   1   .   1   19   19   SER   N      N   15   116.8    0.1    .   1   .   .   .   .   A   20   SER   N      .   34619   1    
     149   .   1   .   1   20   20   MET   HA     H   1    4.498    0.01   .   1   .   .   .   .   A   21   MET   HA     .   34619   1    
     150   .   1   .   1   20   20   MET   HB2    H   1    2.258    0.01   .   2   .   .   .   .   A   21   MET   HB2    .   34619   1    
     151   .   1   .   1   20   20   MET   HB3    H   1    2.308    0.01   .   2   .   .   .   .   A   21   MET   HB3    .   34619   1    
     152   .   1   .   1   20   20   MET   HG2    H   1    2.978    0.01   .   2   .   .   .   .   A   21   MET   HG2    .   34619   1    
     153   .   1   .   1   20   20   MET   HG3    H   1    2.778    0.01   .   2   .   .   .   .   A   21   MET   HG3    .   34619   1    
     154   .   1   .   1   20   20   MET   HE1    H   1    2.058    0.01   .   1   .   .   .   .   A   21   MET   HE1    .   34619   1    
     155   .   1   .   1   20   20   MET   HE2    H   1    2.058    0.01   .   1   .   .   .   .   A   21   MET   HE2    .   34619   1    
     156   .   1   .   1   20   20   MET   HE3    H   1    2.058    0.01   .   1   .   .   .   .   A   21   MET   HE3    .   34619   1    
     157   .   1   .   1   20   20   MET   CA     C   13   58.2     0.1    .   1   .   .   .   .   A   21   MET   CA     .   34619   1    
     158   .   1   .   1   21   21   LYS   H      H   1    8.428    0.01   .   1   .   .   .   .   A   22   LYS   H      .   34619   1    
     159   .   1   .   1   21   21   LYS   HA     H   1    4.298    0.01   .   1   .   .   .   .   A   22   LYS   HA     .   34619   1    
     160   .   1   .   1   21   21   LYS   HB2    H   1    1.708    0.01   .   2   .   .   .   .   A   22   LYS   HB2    .   34619   1    
     161   .   1   .   1   21   21   LYS   HB3    H   1    1.108    0.01   .   2   .   .   .   .   A   22   LYS   HB3    .   34619   1    
     162   .   1   .   1   21   21   LYS   HG3    H   1    1.628    0.01   .   2   .   .   .   .   A   22   LYS   HG3    .   34619   1    
     163   .   1   .   1   21   21   LYS   HD3    H   1    1.368    0.01   .   2   .   .   .   .   A   22   LYS   HD3    .   34619   1    
     164   .   1   .   1   21   21   LYS   HE3    H   1    2.978    0.01   .   2   .   .   .   .   A   22   LYS   HE3    .   34619   1    
     165   .   1   .   1   21   21   LYS   CA     C   13   56.9     0.1    .   1   .   .   .   .   A   22   LYS   CA     .   34619   1    
     166   .   1   .   1   22   22   TYR   H      H   1    7.978    0.01   .   1   .   .   .   .   A   23   TYR   H      .   34619   1    
     167   .   1   .   1   22   22   TYR   HA     H   1    3.968    0.01   .   1   .   .   .   .   A   23   TYR   HA     .   34619   1    
     168   .   1   .   1   22   22   TYR   HB2    H   1    2.718    0.01   .   2   .   .   .   .   A   23   TYR   HB2    .   34619   1    
     169   .   1   .   1   22   22   TYR   HB3    H   1    3.058    0.01   .   2   .   .   .   .   A   23   TYR   HB3    .   34619   1    
     170   .   1   .   1   22   22   TYR   HD2    H   1    7.518    0.01   .   3   .   .   .   .   A   23   TYR   HD2    .   34619   1    
     171   .   1   .   1   22   22   TYR   HE2    H   1    6.918    0.01   .   3   .   .   .   .   A   23   TYR   HE2    .   34619   1    
     172   .   1   .   1   22   22   TYR   CA     C   13   63.4     0.1    .   1   .   .   .   .   A   23   TYR   CA     .   34619   1    
     173   .   1   .   1   22   22   TYR   N      N   15   119.8    0.1    .   1   .   .   .   .   A   23   TYR   N      .   34619   1    
     174   .   1   .   1   23   23   LYS   H      H   1    8.118    0.01   .   1   .   .   .   .   A   24   LYS   H      .   34619   1    
     175   .   1   .   1   23   23   LYS   HA     H   1    3.968    0.01   .   1   .   .   .   .   A   24   LYS   HA     .   34619   1    
     176   .   1   .   1   23   23   LYS   HB2    H   1    1.618    0.01   .   2   .   .   .   .   A   24   LYS   HB2    .   34619   1    
     177   .   1   .   1   23   23   LYS   HB3    H   1    2.278    0.01   .   2   .   .   .   .   A   24   LYS   HB3    .   34619   1    
     178   .   1   .   1   23   23   LYS   HG2    H   1    0.278    0.01   .   2   .   .   .   .   A   24   LYS   HG2    .   34619   1    
     179   .   1   .   1   23   23   LYS   HG3    H   1    0.838    0.01   .   2   .   .   .   .   A   24   LYS   HG3    .   34619   1    
     180   .   1   .   1   23   23   LYS   HD2    H   1    1.698    0.01   .   2   .   .   .   .   A   24   LYS   HD2    .   34619   1    
     181   .   1   .   1   23   23   LYS   HD3    H   1    1.438    0.01   .   2   .   .   .   .   A   24   LYS   HD3    .   34619   1    
     182   .   1   .   1   23   23   LYS   HE3    H   1    2.708    0.01   .   2   .   .   .   .   A   24   LYS   HE3    .   34619   1    
     183   .   1   .   1   23   23   LYS   CA     C   13   63       0.1    .   1   .   .   .   .   A   24   LYS   CA     .   34619   1    
     184   .   1   .   1   23   23   LYS   N      N   15   117.6    0.1    .   1   .   .   .   .   A   24   LYS   N      .   34619   1    
     185   .   1   .   1   24   24   TYR   H      H   1    8.078    0.01   .   1   .   .   .   .   A   25   TYR   H      .   34619   1    
     186   .   1   .   1   24   24   TYR   HA     H   1    4.568    0.01   .   1   .   .   .   .   A   25   TYR   HA     .   34619   1    
     187   .   1   .   1   24   24   TYR   HB2    H   1    2.928    0.01   .   2   .   .   .   .   A   25   TYR   HB2    .   34619   1    
     188   .   1   .   1   24   24   TYR   HB3    H   1    3.298    0.01   .   2   .   .   .   .   A   25   TYR   HB3    .   34619   1    
     189   .   1   .   1   24   24   TYR   HD2    H   1    7.398    0.01   .   3   .   .   .   .   A   25   TYR   HD2    .   34619   1    
     190   .   1   .   1   24   24   TYR   HE2    H   1    6.998    0.01   .   3   .   .   .   .   A   25   TYR   HE2    .   34619   1    
     191   .   1   .   1   24   24   TYR   CA     C   13   58.7     0.1    .   1   .   .   .   .   A   25   TYR   CA     .   34619   1    
     192   .   1   .   1   24   24   TYR   N      N   15   107.7    0.1    .   1   .   .   .   .   A   25   TYR   N      .   34619   1    
     193   .   1   .   1   25   25   THR   H      H   1    7.318    0.01   .   1   .   .   .   .   A   26   THR   H      .   34619   1    
     194   .   1   .   1   25   25   THR   HA     H   1    4.638    0.01   .   1   .   .   .   .   A   26   THR   HA     .   34619   1    
     195   .   1   .   1   25   25   THR   HB     H   1    4.368    0.01   .   1   .   .   .   .   A   26   THR   HB     .   34619   1    
     196   .   1   .   1   25   25   THR   HG21   H   1    1.198    0.01   .   1   .   .   .   .   A   26   THR   HG21   .   34619   1    
     197   .   1   .   1   25   25   THR   HG22   H   1    1.198    0.01   .   1   .   .   .   .   A   26   THR   HG22   .   34619   1    
     198   .   1   .   1   25   25   THR   HG23   H   1    1.198    0.01   .   1   .   .   .   .   A   26   THR   HG23   .   34619   1    
     199   .   1   .   1   25   25   THR   CA     C   13   65       0.1    .   1   .   .   .   .   A   26   THR   CA     .   34619   1    
     200   .   1   .   1   25   25   THR   CB     C   13   69.7     0.1    .   1   .   .   .   .   A   26   THR   CB     .   34619   1    
     201   .   1   .   1   25   25   THR   N      N   15   113      0.1    .   1   .   .   .   .   A   26   THR   N      .   34619   1    
     202   .   1   .   1   26   26   ASN   H      H   1    8.068    0.01   .   1   .   .   .   .   A   27   ASN   H      .   34619   1    
     203   .   1   .   1   26   26   ASN   HA     H   1    4.838    0.01   .   1   .   .   .   .   A   27   ASN   HA     .   34619   1    
     204   .   1   .   1   26   26   ASN   HB2    H   1    2.798    0.01   .   2   .   .   .   .   A   27   ASN   HB2    .   34619   1    
     205   .   1   .   1   26   26   ASN   HB3    H   1    2.408    0.01   .   2   .   .   .   .   A   27   ASN   HB3    .   34619   1    
     206   .   1   .   1   26   26   ASN   HD21   H   1    7.02     0.01   .   2   .   .   .   .   A   27   ASN   HD21   .   34619   1    
     207   .   1   .   1   26   26   ASN   CA     C   13   56.4     0.1    .   1   .   .   .   .   A   27   ASN   CA     .   34619   1    
     208   .   1   .   1   26   26   ASN   N      N   15   116.8    0.1    .   1   .   .   .   .   A   27   ASN   N      .   34619   1    
     209   .   1   .   1   27   27   CYS   H      H   1    8.278    0.01   .   1   .   .   .   .   A   28   CYS   H      .   34619   1    
     210   .   1   .   1   27   27   CYS   HA     H   1    5.358    0.01   .   1   .   .   .   .   A   28   CYS   HA     .   34619   1    
     211   .   1   .   1   27   27   CYS   HB2    H   1    2.958    0.01   .   2   .   .   .   .   A   28   CYS   HB2    .   34619   1    
     212   .   1   .   1   27   27   CYS   HB3    H   1    3.138    0.01   .   2   .   .   .   .   A   28   CYS   HB3    .   34619   1    
     213   .   1   .   1   27   27   CYS   CA     C   13   53.2     0.1    .   1   .   .   .   .   A   28   CYS   CA     .   34619   1    
     214   .   1   .   1   27   27   CYS   N      N   15   119.6    0.1    .   1   .   .   .   .   A   28   CYS   N      .   34619   1    
     215   .   1   .   1   28   28   LYS   H      H   1    8.878    0.01   .   1   .   .   .   .   A   29   LYS   H      .   34619   1    
     216   .   1   .   1   28   28   LYS   HA     H   1    3.808    0.01   .   1   .   .   .   .   A   29   LYS   HA     .   34619   1    
     217   .   1   .   1   28   28   LYS   HB2    H   1    1.778    0.01   .   2   .   .   .   .   A   29   LYS   HB2    .   34619   1    
     218   .   1   .   1   28   28   LYS   HB3    H   1    1.868    0.01   .   2   .   .   .   .   A   29   LYS   HB3    .   34619   1    
     219   .   1   .   1   28   28   LYS   HG3    H   1    1.608    0.01   .   2   .   .   .   .   A   29   LYS   HG3    .   34619   1    
     220   .   1   .   1   28   28   LYS   HD3    H   1    1.438    0.01   .   2   .   .   .   .   A   29   LYS   HD3    .   34619   1    
     221   .   1   .   1   28   28   LYS   HE2    H   1    3.13     0.01   .   2   .   .   .   .   A   29   LYS   HE2    .   34619   1    
     222   .   1   .   1   28   28   LYS   HE3    H   1    3.058    0.01   .   2   .   .   .   .   A   29   LYS   HE3    .   34619   1    
     223   .   1   .   1   28   28   LYS   CA     C   13   60.1     0.1    .   1   .   .   .   .   A   29   LYS   CA     .   34619   1    
     224   .   1   .   1   28   28   LYS   N      N   15   118.9    0.1    .   1   .   .   .   .   A   29   LYS   N      .   34619   1    
     225   .   1   .   1   29   29   LYS   H      H   1    7.368    0.01   .   1   .   .   .   .   A   30   LYS   H      .   34619   1    
     226   .   1   .   1   29   29   LYS   HA     H   1    4.128    0.01   .   1   .   .   .   .   A   30   LYS   HA     .   34619   1    
     227   .   1   .   1   29   29   LYS   HB3    H   1    1.828    0.01   .   2   .   .   .   .   A   30   LYS   HB3    .   34619   1    
     228   .   1   .   1   29   29   LYS   HG3    H   1    1.658    0.01   .   2   .   .   .   .   A   30   LYS   HG3    .   34619   1    
     229   .   1   .   1   29   29   LYS   HD3    H   1    1.358    0.01   .   2   .   .   .   .   A   30   LYS   HD3    .   34619   1    
     230   .   1   .   1   29   29   LYS   HE3    H   1    2.998    0.01   .   2   .   .   .   .   A   30   LYS   HE3    .   34619   1    
     231   .   1   .   1   29   29   LYS   CA     C   13   59.2     0.1    .   1   .   .   .   .   A   30   LYS   CA     .   34619   1    
     232   .   1   .   1   29   29   LYS   N      N   15   116.5    0.1    .   1   .   .   .   .   A   30   LYS   N      .   34619   1    
     233   .   1   .   1   30   30   THR   H      H   1    10.498   0.01   .   1   .   .   .   .   A   31   THR   H      .   34619   1    
     234   .   1   .   1   30   30   THR   HA     H   1    3.798    0.01   .   1   .   .   .   .   A   31   THR   HA     .   34619   1    
     235   .   1   .   1   30   30   THR   HB     H   1    3.988    0.01   .   1   .   .   .   .   A   31   THR   HB     .   34619   1    
     236   .   1   .   1   30   30   THR   HG21   H   1    1.118    0.01   .   1   .   .   .   .   A   31   THR   HG21   .   34619   1    
     237   .   1   .   1   30   30   THR   HG22   H   1    1.118    0.01   .   1   .   .   .   .   A   31   THR   HG22   .   34619   1    
     238   .   1   .   1   30   30   THR   HG23   H   1    1.118    0.01   .   1   .   .   .   .   A   31   THR   HG23   .   34619   1    
     239   .   1   .   1   30   30   THR   CA     C   13   68.2     0.1    .   1   .   .   .   .   A   31   THR   CA     .   34619   1    
     240   .   1   .   1   30   30   THR   CB     C   13   67.8     0.1    .   1   .   .   .   .   A   31   THR   CB     .   34619   1    
     241   .   1   .   1   30   30   THR   N      N   15   123      0.1    .   1   .   .   .   .   A   31   THR   N      .   34619   1    
     242   .   1   .   1   31   31   CYS   H      H   1    8.768    0.01   .   1   .   .   .   .   A   32   CYS   H      .   34619   1    
     243   .   1   .   1   31   31   CYS   HA     H   1    4.868    0.01   .   1   .   .   .   .   A   32   CYS   HA     .   34619   1    
     244   .   1   .   1   31   31   CYS   HB2    H   1    3.248    0.01   .   2   .   .   .   .   A   32   CYS   HB2    .   34619   1    
     245   .   1   .   1   31   31   CYS   HB3    H   1    2.958    0.01   .   2   .   .   .   .   A   32   CYS   HB3    .   34619   1    
     246   .   1   .   1   31   31   CYS   CA     C   13   55.1     0.1    .   1   .   .   .   .   A   32   CYS   CA     .   34619   1    
     247   .   1   .   1   31   31   CYS   N      N   15   113.3    0.1    .   1   .   .   .   .   A   32   CYS   N      .   34619   1    
     248   .   1   .   1   32   32   GLY   H      H   1    7.728    0.01   .   1   .   .   .   .   A   33   GLY   H      .   34619   1    
     249   .   1   .   1   32   32   GLY   HA2    H   1    4.078    0.01   .   2   .   .   .   .   A   33   GLY   HA2    .   34619   1    
     250   .   1   .   1   32   32   GLY   HA3    H   1    4.248    0.01   .   2   .   .   .   .   A   33   GLY   HA3    .   34619   1    
     251   .   1   .   1   32   32   GLY   CA     C   13   47.1     0.1    .   1   .   .   .   .   A   33   GLY   CA     .   34619   1    
     252   .   1   .   1   32   32   GLY   N      N   15   110.2    0.1    .   1   .   .   .   .   A   33   GLY   N      .   34619   1    
     253   .   1   .   1   33   33   THR   H      H   1    9.008    0.01   .   1   .   .   .   .   A   34   THR   H      .   34619   1    
     254   .   1   .   1   33   33   THR   HA     H   1    4.518    0.01   .   1   .   .   .   .   A   34   THR   HA     .   34619   1    
     255   .   1   .   1   33   33   THR   HB     H   1    4.638    0.01   .   1   .   .   .   .   A   34   THR   HB     .   34619   1    
     256   .   1   .   1   33   33   THR   HG21   H   1    0.748    0.01   .   1   .   .   .   .   A   34   THR   HG21   .   34619   1    
     257   .   1   .   1   33   33   THR   HG22   H   1    0.748    0.01   .   1   .   .   .   .   A   34   THR   HG22   .   34619   1    
     258   .   1   .   1   33   33   THR   HG23   H   1    0.748    0.01   .   1   .   .   .   .   A   34   THR   HG23   .   34619   1    
     259   .   1   .   1   33   33   THR   CA     C   13   62.4     0.1    .   1   .   .   .   .   A   34   THR   CA     .   34619   1    
     260   .   1   .   1   33   33   THR   CB     C   13   67.9     0.1    .   1   .   .   .   .   A   34   THR   CB     .   34619   1    
     261   .   1   .   1   33   33   THR   N      N   15   111.5    0.1    .   1   .   .   .   .   A   34   THR   N      .   34619   1    
     262   .   1   .   1   34   34   CYS   H      H   1    7.708    0.01   .   1   .   .   .   .   A   35   CYS   H      .   34619   1    
     263   .   1   .   1   34   34   CYS   HA     H   1    4.288    0.01   .   1   .   .   .   .   A   35   CYS   HA     .   34619   1    
     264   .   1   .   1   34   34   CYS   HB2    H   1    3.208    0.01   .   2   .   .   .   .   A   35   CYS   HB2    .   34619   1    
     265   .   1   .   1   34   34   CYS   HB3    H   1    3.208    0.01   .   2   .   .   .   .   A   35   CYS   HB3    .   34619   1    
     266   .   1   .   1   34   34   CYS   CA     C   13   58.9     0.1    .   1   .   .   .   .   A   35   CYS   CA     .   34619   1    
     267   .   1   .   1   34   34   CYS   N      N   15   123.5    0.1    .   1   .   .   .   .   A   35   CYS   N      .   34619   1    

   stop_

save_