###################################
     #  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                     15099
   _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            .
   _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 TOCSY'   .   .   .   15099   1    
     3   '2D 1H-13C HSQC'   .   .   .   15099   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    LYS   H      H   1    8.712    .   .   1   .   .   .   .   1    LYS   HN     .   15099   1    
     2     .   1   1   1    1    LYS   HA     H   1    3.870    .   .   1   .   .   .   .   1    LYS   HA     .   15099   1    
     3     .   1   1   1    1    LYS   HB2    H   1    1.584    .   .   2   .   .   .   .   1    LYS   HB1    .   15099   1    
     4     .   1   1   1    1    LYS   HG2    H   1    1.207    .   .   2   .   .   .   .   1    LYS   HG1    .   15099   1    
     5     .   1   1   1    1    LYS   HD2    H   1    1.557    .   .   2   .   .   .   .   1    LYS   HD1    .   15099   1    
     6     .   1   1   1    1    LYS   HE2    H   1    2.818    .   .   2   .   .   .   .   1    LYS   HE1    .   15099   1    
     7     .   1   1   1    1    LYS   CA     C   13   58.00    .   .   1   .   .   .   .   1    LYS   CA     .   15099   1    
     8     .   1   1   1    1    LYS   CB     C   13   28.10    .   .   1   .   .   .   .   1    LYS   CB     .   15099   1    
     9     .   1   1   2    2    TRP   H      H   1    8.394    .   .   1   .   .   .   .   2    TRP   HN     .   15099   1    
     10    .   1   1   2    2    TRP   HA     H   1    4.760    .   .   1   .   .   .   .   2    TRP   HA     .   15099   1    
     11    .   1   1   2    2    TRP   HB2    H   1    3.312    .   .   2   .   .   .   .   2    TRP   HB1    .   15099   1    
     12    .   1   1   2    2    TRP   HD1    H   1    7.341    .   .   1   .   .   .   .   2    TRP   HD1    .   15099   1    
     13    .   1   1   2    2    TRP   HE1    H   1    10.653   .   .   1   .   .   .   .   2    TRP   HE1    .   15099   1    
     14    .   1   1   2    2    TRP   HE3    H   1    7.497    .   .   1   .   .   .   .   2    TRP   HE3    .   15099   1    
     15    .   1   1   2    2    TRP   HZ2    H   1    7.509    .   .   1   .   .   .   .   2    TRP   HZ2    .   15099   1    
     16    .   1   1   2    2    TRP   HZ3    H   1    6.837    .   .   1   .   .   .   .   2    TRP   HZ3    .   15099   1    
     17    .   1   1   2    2    TRP   HH2    H   1    7.074    .   .   1   .   .   .   .   2    TRP   HH2    .   15099   1    
     18    .   1   1   2    2    TRP   CB     C   13   27.80    .   .   1   .   .   .   .   2    TRP   CB     .   15099   1    
     19    .   1   1   3    3    LYS   H      H   1    7.804    .   .   1   .   .   .   .   3    LYS   HN     .   15099   1    
     20    .   1   1   3    3    LYS   HA     H   1    3.905    .   .   1   .   .   .   .   3    LYS   HA     .   15099   1    
     21    .   1   1   3    3    LYS   HB2    H   1    1.995    .   .   2   .   .   .   .   3    LYS   HB1    .   15099   1    
     22    .   1   1   3    3    LYS   CA     C   13   58.00    .   .   1   .   .   .   .   3    LYS   CA     .   15099   1    
     23    .   1   1   3    3    LYS   CB     C   13   31.10    .   .   1   .   .   .   .   3    LYS   CB     .   15099   1    
     24    .   1   1   4    4    LEU   H      H   1    7.864    .   .   1   .   .   .   .   4    LEU   HN     .   15099   1    
     25    .   1   1   4    4    LEU   HA     H   1    4.049    .   .   1   .   .   .   .   4    LEU   HA     .   15099   1    
     26    .   1   1   4    4    LEU   HB2    H   1    1.670    .   .   2   .   .   .   .   4    LEU   HB1    .   15099   1    
     27    .   1   1   4    4    LEU   HG     H   1    1.651    .   .   1   .   .   .   .   4    LEU   HG     .   15099   1    
     28    .   1   1   4    4    LEU   HD11   H   1    0.834    .   .   2   .   .   .   .   4    LEU   HD1    .   15099   1    
     29    .   1   1   4    4    LEU   HD12   H   1    0.834    .   .   2   .   .   .   .   4    LEU   HD1    .   15099   1    
     30    .   1   1   4    4    LEU   HD13   H   1    0.834    .   .   2   .   .   .   .   4    LEU   HD1    .   15099   1    
     31    .   1   1   4    4    LEU   CA     C   13   56.80    .   .   1   .   .   .   .   4    LEU   CA     .   15099   1    
     32    .   1   1   4    4    LEU   CB     C   13   40.40    .   .   1   .   .   .   .   4    LEU   CB     .   15099   1    
     33    .   1   1   5    5    PHE   H      H   1    8.154    .   .   1   .   .   .   .   5    PHE   HN     .   15099   1    
     34    .   1   1   5    5    PHE   HA     H   1    4.184    .   .   1   .   .   .   .   5    PHE   HA     .   15099   1    
     35    .   1   1   5    5    PHE   HB2    H   1    3.155    .   .   2   .   .   .   .   5    PHE   HB1    .   15099   1    
     36    .   1   1   5    5    PHE   HD1    H   1    7.069    .   .   1   .   .   .   .   5    PHE   HD1    .   15099   1    
     37    .   1   1   5    5    PHE   CA     C   13   60.50    .   .   1   .   .   .   .   5    PHE   CA     .   15099   1    
     38    .   1   1   5    5    PHE   CB     C   13   37.10    .   .   1   .   .   .   .   5    PHE   CB     .   15099   1    
     39    .   1   1   6    6    LYS   H      H   1    8.033    .   .   1   .   .   .   .   6    LYS   HN     .   15099   1    
     40    .   1   1   6    6    LYS   HA     H   1    3.931    .   .   1   .   .   .   .   6    LYS   HA     .   15099   1    
     41    .   1   1   6    6    LYS   HB2    H   1    1.846    .   .   2   .   .   .   .   6    LYS   HB1    .   15099   1    
     42    .   1   1   6    6    LYS   HG2    H   1    1.389    .   .   2   .   .   .   .   6    LYS   HG1    .   15099   1    
     43    .   1   1   6    6    LYS   CA     C   13   58.20    .   .   1   .   .   .   .   6    LYS   CA     .   15099   1    
     44    .   1   1   6    6    LYS   CB     C   13   31.10    .   .   1   .   .   .   .   6    LYS   CB     .   15099   1    
     45    .   1   1   7    7    LYS   H      H   1    7.745    .   .   1   .   .   .   .   7    LYS   HN     .   15099   1    
     46    .   1   1   7    7    LYS   HA     H   1    4.170    .   .   1   .   .   .   .   7    LYS   HA     .   15099   1    
     47    .   1   1   7    7    LYS   HB2    H   1    1.899    .   .   2   .   .   .   .   7    LYS   HB1    .   15099   1    
     48    .   1   1   7    7    LYS   HG2    H   1    1.658    .   .   2   .   .   .   .   7    LYS   HG1    .   15099   1    
     49    .   1   1   7    7    LYS   HE2    H   1    2.912    .   .   2   .   .   .   .   7    LYS   HE1    .   15099   1    
     50    .   1   1   7    7    LYS   CA     C   13   57.50    .   .   1   .   .   .   .   7    LYS   CA     .   15099   1    
     51    .   1   1   8    8    ILE   H      H   1    8.069    .   .   1   .   .   .   .   8    ILE   HN     .   15099   1    
     52    .   1   1   8    8    ILE   HA     H   1    3.672    .   .   1   .   .   .   .   8    ILE   HA     .   15099   1    
     53    .   1   1   8    8    ILE   HB     H   1    1.833    .   .   1   .   .   .   .   8    ILE   HB     .   15099   1    
     54    .   1   1   8    8    ILE   HG12   H   1    0.845    .   .   2   .   .   .   .   8    ILE   HG11   .   15099   1    
     55    .   1   1   8    8    ILE   HD11   H   1    0.776    .   .   1   .   .   .   .   8    ILE   HD1    .   15099   1    
     56    .   1   1   8    8    ILE   HD12   H   1    0.776    .   .   1   .   .   .   .   8    ILE   HD1    .   15099   1    
     57    .   1   1   8    8    ILE   HD13   H   1    0.776    .   .   1   .   .   .   .   8    ILE   HD1    .   15099   1    
     58    .   1   1   8    8    ILE   CA     C   13   63.70    .   .   1   .   .   .   .   8    ILE   CA     .   15099   1    
     59    .   1   1   8    8    ILE   CB     C   13   36.80    .   .   1   .   .   .   .   8    ILE   CB     .   15099   1    
     60    .   1   1   9    9    GLY   H      H   1    8.409    .   .   1   .   .   .   .   9    GLY   HN     .   15099   1    
     61    .   1   1   9    9    GLY   HA2    H   1    3.670    .   .   2   .   .   .   .   9    GLY   HA1    .   15099   1    
     62    .   1   1   9    9    GLY   CA     C   13   46.50    .   .   1   .   .   .   .   9    GLY   CA     .   15099   1    
     63    .   1   1   10   10   ALA   H      H   1    7.769    .   .   1   .   .   .   .   10   ALA   HN     .   15099   1    
     64    .   1   1   10   10   ALA   HA     H   1    4.105    .   .   1   .   .   .   .   10   ALA   HA     .   15099   1    
     65    .   1   1   10   10   ALA   HB1    H   1    1.518    .   .   1   .   .   .   .   10   ALA   HB     .   15099   1    
     66    .   1   1   10   10   ALA   HB2    H   1    1.518    .   .   1   .   .   .   .   10   ALA   HB     .   15099   1    
     67    .   1   1   10   10   ALA   HB3    H   1    1.518    .   .   1   .   .   .   .   10   ALA   HB     .   15099   1    
     68    .   1   1   10   10   ALA   CA     C   13   53.80    .   .   1   .   .   .   .   10   ALA   CA     .   15099   1    
     69    .   1   1   10   10   ALA   CB     C   13   17.40    .   .   1   .   .   .   .   10   ALA   CB     .   15099   1    
     70    .   1   1   11   11   VAL   H      H   1    7.681    .   .   1   .   .   .   .   11   VAL   HN     .   15099   1    
     71    .   1   1   11   11   VAL   HA     H   1    3.755    .   .   1   .   .   .   .   11   VAL   HA     .   15099   1    
     72    .   1   1   11   11   VAL   HB     H   1    2.260    .   .   1   .   .   .   .   11   VAL   HB     .   15099   1    
     73    .   1   1   11   11   VAL   HG11   H   1    0.994    .   .   2   .   .   .   .   11   VAL   HG1    .   15099   1    
     74    .   1   1   11   11   VAL   HG12   H   1    0.994    .   .   2   .   .   .   .   11   VAL   HG1    .   15099   1    
     75    .   1   1   11   11   VAL   HG13   H   1    0.994    .   .   2   .   .   .   .   11   VAL   HG1    .   15099   1    
     76    .   1   1   11   11   VAL   CA     C   13   64.40    .   .   1   .   .   .   .   11   VAL   CA     .   15099   1    
     77    .   1   1   11   11   VAL   CB     C   13   30.80    .   .   1   .   .   .   .   11   VAL   CB     .   15099   1    
     78    .   1   1   12   12   LEU   H      H   1    8.055    .   .   1   .   .   .   .   12   LEU   HN     .   15099   1    
     79    .   1   1   12   12   LEU   HA     H   1    3.966    .   .   1   .   .   .   .   12   LEU   HA     .   15099   1    
     80    .   1   1   12   12   LEU   HB2    H   1    1.980    .   .   2   .   .   .   .   12   LEU   HB1    .   15099   1    
     81    .   1   1   12   12   LEU   HD11   H   1    0.813    .   .   2   .   .   .   .   12   LEU   HD1    .   15099   1    
     82    .   1   1   12   12   LEU   HD12   H   1    0.813    .   .   2   .   .   .   .   12   LEU   HD1    .   15099   1    
     83    .   1   1   12   12   LEU   HD13   H   1    0.813    .   .   2   .   .   .   .   12   LEU   HD1    .   15099   1    
     84    .   1   1   12   12   LEU   CA     C   13   56.50    .   .   1   .   .   .   .   12   LEU   CA     .   15099   1    
     85    .   1   1   13   13   LYS   H      H   1    7.753    .   .   1   .   .   .   .   13   LYS   HN     .   15099   1    
     86    .   1   1   13   13   LYS   HA     H   1    3.961    .   .   1   .   .   .   .   13   LYS   HA     .   15099   1    
     87    .   1   1   13   13   LYS   HB2    H   1    1.808    .   .   2   .   .   .   .   13   LYS   HB1    .   15099   1    
     88    .   1   1   13   13   LYS   HE2    H   1    2.919    .   .   2   .   .   .   .   13   LYS   HE1    .   15099   1    
     89    .   1   1   13   13   LYS   CA     C   13   57.80    .   .   1   .   .   .   .   13   LYS   CA     .   15099   1    
     90    .   1   1   13   13   LYS   CB     C   13   31.10    .   .   1   .   .   .   .   13   LYS   CB     .   15099   1    
     91    .   1   1   14   14   VAL   H      H   1    7.337    .   .   1   .   .   .   .   14   VAL   HN     .   15099   1    
     92    .   1   1   14   14   VAL   HA     H   1    3.943    .   .   1   .   .   .   .   14   VAL   HA     .   15099   1    
     93    .   1   1   14   14   VAL   HB     H   1    2.258    .   .   1   .   .   .   .   14   VAL   HB     .   15099   1    
     94    .   1   1   14   14   VAL   HG11   H   1    1.002    .   .   2   .   .   .   .   14   VAL   HG1    .   15099   1    
     95    .   1   1   14   14   VAL   HG12   H   1    1.002    .   .   2   .   .   .   .   14   VAL   HG1    .   15099   1    
     96    .   1   1   14   14   VAL   HG13   H   1    1.002    .   .   2   .   .   .   .   14   VAL   HG1    .   15099   1    
     97    .   1   1   14   14   VAL   CA     C   13   63.00    .   .   1   .   .   .   .   14   VAL   CA     .   15099   1    
     98    .   1   1   14   14   VAL   CB     C   13   30.80    .   .   1   .   .   .   .   14   VAL   CB     .   15099   1    
     99    .   1   1   15   15   LEU   H      H   1    7.653    .   .   1   .   .   .   .   15   LEU   HN     .   15099   1    
     100   .   1   1   15   15   LEU   HA     H   1    4.059    .   .   1   .   .   .   .   15   LEU   HA     .   15099   1    
     101   .   1   1   15   15   LEU   HB2    H   1    1.800    .   .   2   .   .   .   .   15   LEU   HB1    .   15099   1    
     102   .   1   1   15   15   LEU   HD11   H   1    0.829    .   .   2   .   .   .   .   15   LEU   HD1    .   15099   1    
     103   .   1   1   15   15   LEU   HD12   H   1    0.829    .   .   2   .   .   .   .   15   LEU   HD1    .   15099   1    
     104   .   1   1   15   15   LEU   HD13   H   1    0.829    .   .   2   .   .   .   .   15   LEU   HD1    .   15099   1    
     105   .   1   1   15   15   LEU   CA     C   13   55.00    .   .   1   .   .   .   .   15   LEU   CA     .   15099   1    
     106   .   1   1   15   15   LEU   CB     C   13   40.40    .   .   1   .   .   .   .   15   LEU   CB     .   15099   1    

   stop_

save_