###################################
     #  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                     20125
   _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'   .   .   .   20125   1    
     2   '2D 1H-1H NOESY'   .   .   .   20125   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   2    2    TRP   HE1    H   1   10.712   0.000   .   3   .   .   .   .   2    TRP   HE1    .   20125   1    
     2     .   1   1   2    2    TRP   HZ2    H   1   7.471    0.021   .   3   .   .   .   .   2    TRP   HZ2    .   20125   1    
     3     .   1   1   2    2    TRP   HZ3    H   1   7.086    0.000   .   3   .   .   .   .   2    TRP   HZ3    .   20125   1    
     4     .   1   1   3    3    PRO   HB2    H   1   2.378    0.001   .   1   .   .   .   .   3    PRO   HB2    .   20125   1    
     5     .   1   1   4    4    LEU   H      H   1   8.106    0.026   .   1   .   .   .   .   4    LEU   H      .   20125   1    
     6     .   1   1   4    4    LEU   HA     H   1   3.652    0.000   .   1   .   .   .   .   4    LEU   HA     .   20125   1    
     7     .   1   1   4    4    LEU   HB2    H   1   1.587    0.007   .   1   .   .   .   .   4    LEU   HB     .   20125   1    
     8     .   1   1   4    4    LEU   HB3    H   1   1.587    0.007   .   1   .   .   .   .   4    LEU   HB     .   20125   1    
     9     .   1   1   4    4    LEU   HG     H   1   1.504    0.000   .   1   .   .   .   .   4    LEU   HG     .   20125   1    
     10    .   1   1   5    5    VAL   H      H   1   8.171    0.010   .   1   .   .   .   .   5    VAL   H      .   20125   1    
     11    .   1   1   5    5    VAL   HA     H   1   3.665    0.015   .   1   .   .   .   .   5    VAL   HA     .   20125   1    
     12    .   1   1   5    5    VAL   HB     H   1   2.192    0.021   .   1   .   .   .   .   5    VAL   HB     .   20125   1    
     13    .   1   1   5    5    VAL   HG11   H   1   0.905    0.000   .   1   .   .   .   .   5    VAL   HG13   .   20125   1    
     14    .   1   1   5    5    VAL   HG12   H   1   1.044    0.002   .   1   .   .   .   .   5    VAL   HG12   .   20125   1    
     15    .   1   1   5    5    VAL   HG13   H   1   0.905    0.000   .   1   .   .   .   .   5    VAL   HG13   .   20125   1    
     16    .   1   1   6    6    ILE   H      H   1   7.597    0.005   .   1   .   .   .   .   6    ILE   H      .   20125   1    
     17    .   1   1   6    6    ILE   HA     H   1   4.110    0.005   .   1   .   .   .   .   6    ILE   HA     .   20125   1    
     18    .   1   1   6    6    ILE   HB     H   1   1.994    0.007   .   1   .   .   .   .   6    ILE   HB     .   20125   1    
     19    .   1   1   6    6    ILE   HD11   H   1   0.892    0.000   .   2   .   .   .   .   6    ILE   HD     .   20125   1    
     20    .   1   1   6    6    ILE   HD12   H   1   0.892    0.000   .   2   .   .   .   .   6    ILE   HD     .   20125   1    
     21    .   1   1   6    6    ILE   HD13   H   1   0.892    0.000   .   2   .   .   .   .   6    ILE   HD     .   20125   1    
     22    .   1   1   6    6    ILE   HG21   H   1   1.600    0.001   .   2   .   .   .   .   6    ILE   HG21   .   20125   1    
     23    .   1   1   6    6    ILE   HG22   H   1   1.197    0.000   .   2   .   .   .   .   6    ILE   HG23   .   20125   1    
     24    .   1   1   6    6    ILE   HG23   H   1   1.197    0.000   .   2   .   .   .   .   6    ILE   HG23   .   20125   1    
     25    .   1   1   7    7    ARG   H      H   1   8.088    0.002   .   1   .   .   .   .   7    ARG   H      .   20125   1    
     26    .   1   1   7    7    ARG   HA     H   1   3.986    0.019   .   1   .   .   .   .   7    ARG   HA     .   20125   1    
     27    .   1   1   7    7    ARG   HB2    H   1   1.965    0.008   .   2   .   .   .   .   7    ARG   HB2    .   20125   1    
     28    .   1   1   7    7    ARG   HB3    H   1   1.828    0.002   .   2   .   .   .   .   7    ARG   HB3    .   20125   1    
     29    .   1   1   7    7    ARG   HD2    H   1   3.223    0.000   .   1   .   .   .   .   7    ARG   HD     .   20125   1    
     30    .   1   1   7    7    ARG   HD3    H   1   3.223    0.000   .   1   .   .   .   .   7    ARG   HD     .   20125   1    
     31    .   1   1   7    7    ARG   HG2    H   1   1.718    0.000   .   1   .   .   .   .   7    ARG   HG     .   20125   1    
     32    .   1   1   7    7    ARG   HG3    H   1   1.718    0.000   .   1   .   .   .   .   7    ARG   HG     .   20125   1    
     33    .   1   1   8    8    THR   H      H   1   7.990    0.013   .   1   .   .   .   .   8    THR   H      .   20125   1    
     34    .   1   1   8    8    THR   HA     H   1   4.296    0.009   .   1   .   .   .   .   8    THR   HA     .   20125   1    
     35    .   1   1   8    8    THR   HB     H   1   3.854    0.008   .   1   .   .   .   .   8    THR   HB     .   20125   1    
     36    .   1   1   8    8    THR   HG21   H   1   1.163    0.002   .   2   .   .   .   .   8    THR   HG2    .   20125   1    
     37    .   1   1   8    8    THR   HG22   H   1   1.163    0.002   .   2   .   .   .   .   8    THR   HG2    .   20125   1    
     38    .   1   1   8    8    THR   HG23   H   1   1.163    0.002   .   2   .   .   .   .   8    THR   HG2    .   20125   1    
     39    .   1   1   9    9    VAL   H      H   1   8.089    0.001   .   1   .   .   .   .   9    VAL   H      .   20125   1    
     40    .   1   1   9    9    VAL   HA     H   1   3.639    0.003   .   1   .   .   .   .   9    VAL   HA     .   20125   1    
     41    .   1   1   9    9    VAL   HB     H   1   2.216    0.003   .   1   .   .   .   .   9    VAL   HB     .   20125   1    
     42    .   1   1   9    9    VAL   HG11   H   1   0.910    0.004   .   2   .   .   .   .   9    VAL   HG13   .   20125   1    
     43    .   1   1   9    9    VAL   HG12   H   1   1.050    0.004   .   2   .   .   .   .   9    VAL   HG12   .   20125   1    
     44    .   1   1   9    9    VAL   HG13   H   1   0.910    0.004   .   2   .   .   .   .   9    VAL   HG13   .   20125   1    
     45    .   1   1   10   10   ILE   H      H   1   8.178    0.001   .   1   .   .   .   .   10   ILE   H      .   20125   1    
     46    .   1   1   10   10   ILE   HB     H   1   1.897    0.006   .   1   .   .   .   .   10   ILE   HB     .   20125   1    
     47    .   1   1   10   10   ILE   HD11   H   1   0.812    0.000   .   2   .   .   .   .   10   ILE   HD1    .   20125   1    
     48    .   1   1   10   10   ILE   HD12   H   1   0.812    0.000   .   2   .   .   .   .   10   ILE   HD1    .   20125   1    
     49    .   1   1   10   10   ILE   HD13   H   1   0.812    0.000   .   2   .   .   .   .   10   ILE   HD1    .   20125   1    
     50    .   1   1   10   10   ILE   HG12   H   1   0.985    0.004   .   2   .   .   .   .   10   ILE   HG12   .   20125   1    
     51    .   1   1   10   10   ILE   HG21   H   1   1.817    0.003   .   2   .   .   .   .   10   ILE   HG21   .   20125   1    
     52    .   1   1   10   10   ILE   HG22   H   1   1.817    0.003   .   2   .   .   .   .   10   ILE   HG21   .   20125   1    
     53    .   1   1   10   10   ILE   HG23   H   1   1.817    0.003   .   2   .   .   .   .   10   ILE   HG21   .   20125   1    
     54    .   1   1   11   11   ALA   H      H   1   8.037    0.003   .   1   .   .   .   .   11   ALA   H      .   20125   1    
     55    .   1   1   11   11   ALA   HA     H   1   4.301    0.006   .   1   .   .   .   .   11   ALA   HA     .   20125   1    
     56    .   1   1   11   11   ALA   HB1    H   1   1.602    0.001   .   1   .   .   .   .   11   ALA   HB     .   20125   1    
     57    .   1   1   11   11   ALA   HB2    H   1   1.602    0.001   .   1   .   .   .   .   11   ALA   HB     .   20125   1    
     58    .   1   1   11   11   ALA   HB3    H   1   1.602    0.001   .   1   .   .   .   .   11   ALA   HB     .   20125   1    
     59    .   1   1   12   12   GLY   H      H   1   8.785    0.002   .   1   .   .   .   .   12   GLY   H      .   20125   1    
     60    .   1   1   12   12   GLY   HA2    H   1   3.781    0.003   .   1   .   .   .   .   12   GLY   HA2    .   20125   1    
     61    .   1   1   12   12   GLY   HA3    H   1   3.649    0.013   .   1   .   .   .   .   12   GLY   HA3    .   20125   1    
     62    .   1   1   13   13   TYR   H      H   1   8.769    0.029   .   1   .   .   .   .   13   TYR   H      .   20125   1    
     63    .   1   1   13   13   TYR   HA     H   1   4.259    0.007   .   1   .   .   .   .   13   TYR   HA     .   20125   1    
     64    .   1   1   13   13   TYR   HB2    H   1   3.285    0.005   .   2   .   .   .   .   13   TYR   HB2    .   20125   1    
     65    .   1   1   13   13   TYR   HB3    H   1   3.033    0.015   .   2   .   .   .   .   13   TYR   HB3    .   20125   1    
     66    .   1   1   13   13   TYR   HD1    H   1   7.014    0.003   .   2   .   .   .   .   13   TYR   HD1    .   20125   1    
     67    .   1   1   14   14   ASN   H      H   1   8.585    0.001   .   1   .   .   .   .   14   ASN   H      .   20125   1    
     68    .   1   1   14   14   ASN   HA     H   1   4.408    0.215   .   1   .   .   .   .   14   ASN   HA     .   20125   1    
     69    .   1   1   14   14   ASN   HB2    H   1   3.004    0.001   .   2   .   .   .   .   14   ASN   HB2    .   20125   1    
     70    .   1   1   14   14   ASN   HB3    H   1   2.734    0.002   .   2   .   .   .   .   14   ASN   HB3    .   20125   1    
     71    .   1   1   15   15   LEU   H      H   1   8.245    0.002   .   1   .   .   .   .   15   LEU   H      .   20125   1    
     72    .   1   1   15   15   LEU   HA     H   1   4.181    0.001   .   1   .   .   .   .   15   LEU   HA     .   20125   1    
     73    .   1   1   15   15   LEU   HB2    H   1   1.907    0.004   .   1   .   .   .   .   15   LEU   HB2    .   20125   1    
     74    .   1   1   15   15   LEU   HB3    H   1   1.823    0.000   .   1   .   .   .   .   15   LEU   HB3    .   20125   1    
     75    .   1   1   15   15   LEU   HD11   H   1   0.956    0.016   .   2   .   .   .   .   15   LEU   HD     .   20125   1    
     76    .   1   1   15   15   LEU   HD12   H   1   0.956    0.016   .   2   .   .   .   .   15   LEU   HD     .   20125   1    
     77    .   1   1   15   15   LEU   HD13   H   1   0.956    0.016   .   2   .   .   .   .   15   LEU   HD     .   20125   1    
     78    .   1   1   15   15   LEU   HD21   H   1   0.956    0.016   .   2   .   .   .   .   15   LEU   HD     .   20125   1    
     79    .   1   1   15   15   LEU   HD22   H   1   0.956    0.016   .   2   .   .   .   .   15   LEU   HD     .   20125   1    
     80    .   1   1   15   15   LEU   HD23   H   1   0.956    0.016   .   2   .   .   .   .   15   LEU   HD     .   20125   1    
     81    .   1   1   16   16   TYR   H      H   1   8.362    0.002   .   1   .   .   .   .   16   TYR   H      .   20125   1    
     82    .   1   1   16   16   TYR   HA     H   1   3.972    0.003   .   1   .   .   .   .   16   TYR   HA     .   20125   1    
     83    .   1   1   16   16   TYR   HB2    H   1   3.275    0.002   .   2   .   .   .   .   16   TYR   HB2    .   20125   1    
     84    .   1   1   16   16   TYR   HB3    H   1   3.014    0.002   .   2   .   .   .   .   16   TYR   HB3    .   20125   1    
     85    .   1   1   16   16   TYR   HD1    H   1   6.820    0.002   .   2   .   .   .   .   16   TYR   HD1    .   20125   1    
     86    .   1   1   16   16   TYR   HE1    H   1   6.767    0.022   .   1   .   .   .   .   16   TYR   HE1    .   20125   1    
     87    .   1   1   17   17   ARG   H      H   1   8.183    0.065   .   1   .   .   .   .   17   ARG   H      .   20125   1    
     88    .   1   1   17   17   ARG   HA     H   1   3.590    0.101   .   1   .   .   .   .   17   ARG   HA     .   20125   1    
     89    .   1   1   17   17   ARG   HB2    H   1   1.806    0.103   .   1   .   .   .   .   17   ARG   HB2    .   20125   1    
     90    .   1   1   17   17   ARG   HB3    H   1   1.488    0.009   .   1   .   .   .   .   17   ARG   HB3    .   20125   1    
     91    .   1   1   17   17   ARG   HG2    H   1   1.526    0.208   .   2   .   .   .   .   17   ARG   HG     .   20125   1    
     92    .   1   1   17   17   ARG   HG3    H   1   1.526    0.208   .   2   .   .   .   .   17   ARG   HG     .   20125   1    
     93    .   1   1   18   18   ALA   H      H   1   7.631    0.001   .   1   .   .   .   .   18   ALA   H      .   20125   1    
     94    .   1   1   18   18   ALA   HA     H   1   4.124    0.000   .   1   .   .   .   .   18   ALA   HA     .   20125   1    
     95    .   1   1   18   18   ALA   HB1    H   1   1.508    0.000   .   1   .   .   .   .   18   ALA   HB     .   20125   1    
     96    .   1   1   18   18   ALA   HB2    H   1   1.508    0.000   .   1   .   .   .   .   18   ALA   HB     .   20125   1    
     97    .   1   1   18   18   ALA   HB3    H   1   1.508    0.000   .   1   .   .   .   .   18   ALA   HB     .   20125   1    
     98    .   1   1   19   19   ILE   H      H   1   7.800    0.002   .   1   .   .   .   .   19   ILE   H      .   20125   1    
     99    .   1   1   19   19   ILE   HA     H   1   3.895    0.001   .   1   .   .   .   .   19   ILE   HA     .   20125   1    
     100   .   1   1   19   19   ILE   HB     H   1   1.846    0.001   .   1   .   .   .   .   19   ILE   HB     .   20125   1    
     101   .   1   1   19   19   ILE   HD11   H   1   0.871    0.002   .   2   .   .   .   .   19   ILE   HD1    .   20125   1    
     102   .   1   1   19   19   ILE   HD12   H   1   0.871    0.002   .   2   .   .   .   .   19   ILE   HD1    .   20125   1    
     103   .   1   1   19   19   ILE   HD13   H   1   0.871    0.002   .   2   .   .   .   .   19   ILE   HD1    .   20125   1    
     104   .   1   1   19   19   ILE   HG21   H   1   1.647    0.000   .   2   .   .   .   .   19   ILE   HG21   .   20125   1    
     105   .   1   1   19   19   ILE   HG22   H   1   1.285    0.045   .   2   .   .   .   .   19   ILE   HG23   .   20125   1    
     106   .   1   1   19   19   ILE   HG23   H   1   1.285    0.045   .   2   .   .   .   .   19   ILE   HG23   .   20125   1    
     107   .   1   1   20   20   LYS   H      H   1   7.728    0.002   .   1   .   .   .   .   20   LYS   H      .   20125   1    
     108   .   1   1   20   20   LYS   HA     H   1   4.087    0.001   .   1   .   .   .   .   20   LYS   HA     .   20125   1    
     109   .   1   1   20   20   LYS   HB2    H   1   1.823    0.000   .   1   .   .   .   .   20   LYS   HB2    .   20125   1    
     110   .   1   1   20   20   LYS   HG2    H   1   1.428    0.009   .   2   .   .   .   .   20   LYS   HG     .   20125   1    
     111   .   1   1   20   20   LYS   HG3    H   1   1.428    0.009   .   2   .   .   .   .   20   LYS   HG     .   20125   1    
     112   .   1   1   21   21   LYS   H      H   1   7.632    0.002   .   1   .   .   .   .   21   LYS   H      .   20125   1    
     113   .   1   1   21   21   LYS   HA     H   1   4.174    0.000   .   1   .   .   .   .   21   LYS   HA     .   20125   1    
     114   .   1   1   21   21   LYS   HB2    H   1   1.842    0.000   .   1   .   .   .   .   21   LYS   HB2    .   20125   1    
     115   .   1   1   22   22   LYS   H      H   1   7.742    0.000   .   1   .   .   .   .   22   LYS   H      .   20125   1    
     116   .   1   1   22   22   LYS   HA     H   1   4.133    0.000   .   1   .   .   .   .   22   LYS   HA     .   20125   1    

   stop_

save_