###################################
     #  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                     18023
   _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'   .   .   .   18023   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    GLY   H      H   1   8.713   0.005   .   1   .   .   .   .   -1   GLY   H      .   18023   1    
     2     .   1   1   1    1    GLY   HA2    H   1   3.917   0.005   .   2   .   .   .   .   -1   GLY   HA2    .   18023   1    
     3     .   1   1   1    1    GLY   HA3    H   1   4.120   0.005   .   2   .   .   .   .   -1   GLY   HA3    .   18023   1    
     4     .   1   1   2    2    ASP   H      H   1   8.928   0.005   .   1   .   .   .   .   1    ASP   H      .   18023   1    
     5     .   1   1   2    2    ASP   HA     H   1   4.517   0.005   .   1   .   .   .   .   1    ASP   HA     .   18023   1    
     6     .   1   1   2    2    ASP   HB2    H   1   2.683   0.005   .   2   .   .   .   .   1    ASP   HB2    .   18023   1    
     7     .   1   1   2    2    ASP   HB3    H   1   2.722   0.005   .   2   .   .   .   .   1    ASP   HB3    .   18023   1    
     8     .   1   1   3    3    ALA   H      H   1   8.801   0.005   .   1   .   .   .   .   2    ALA   H      .   18023   1    
     9     .   1   1   3    3    ALA   HA     H   1   4.283   0.005   .   1   .   .   .   .   2    ALA   HA     .   18023   1    
     10    .   1   1   3    3    ALA   HB1    H   1   1.491   0.005   .   1   .   .   .   .   2    ALA   MB     .   18023   1    
     11    .   1   1   3    3    ALA   HB2    H   1   1.491   0.005   .   1   .   .   .   .   2    ALA   MB     .   18023   1    
     12    .   1   1   3    3    ALA   HB3    H   1   1.491   0.005   .   1   .   .   .   .   2    ALA   MB     .   18023   1    
     13    .   1   1   4    4    TYR   H      H   1   8.442   0.005   .   1   .   .   .   .   3    TYR   H      .   18023   1    
     14    .   1   1   4    4    TYR   HA     H   1   3.994   0.005   .   1   .   .   .   .   3    TYR   HA     .   18023   1    
     15    .   1   1   4    4    TYR   HB2    H   1   2.899   0.005   .   1   .   .   .   .   3    TYR   HB2    .   18023   1    
     16    .   1   1   4    4    TYR   HB3    H   1   3.110   0.005   .   1   .   .   .   .   3    TYR   HB3    .   18023   1    
     17    .   1   1   4    4    TYR   HD1    H   1   7.090   0.005   .   1   .   .   .   .   3    TYR   HD1    .   18023   1    
     18    .   1   1   4    4    TYR   HD2    H   1   7.090   0.005   .   1   .   .   .   .   3    TYR   HD2    .   18023   1    
     19    .   1   1   4    4    TYR   HE1    H   1   6.781   0.005   .   1   .   .   .   .   3    TYR   HE1    .   18023   1    
     20    .   1   1   4    4    TYR   HE2    H   1   6.781   0.005   .   1   .   .   .   .   3    TYR   HE2    .   18023   1    
     21    .   1   1   5    5    ALA   H      H   1   8.005   0.005   .   1   .   .   .   .   4    ALA   H      .   18023   1    
     22    .   1   1   5    5    ALA   HA     H   1   4.164   0.005   .   1   .   .   .   .   4    ALA   HA     .   18023   1    
     23    .   1   1   5    5    ALA   HB1    H   1   1.634   0.005   .   1   .   .   .   .   4    ALA   MB     .   18023   1    
     24    .   1   1   5    5    ALA   HB2    H   1   1.634   0.005   .   1   .   .   .   .   4    ALA   MB     .   18023   1    
     25    .   1   1   5    5    ALA   HB3    H   1   1.634   0.005   .   1   .   .   .   .   4    ALA   MB     .   18023   1    
     26    .   1   1   6    6    GLN   H      H   1   8.053   0.005   .   1   .   .   .   .   5    GLN   H      .   18023   1    
     27    .   1   1   6    6    GLN   HA     H   1   4.004   0.005   .   1   .   .   .   .   5    GLN   HA     .   18023   1    
     28    .   1   1   6    6    GLN   HB2    H   1   2.152   0.005   .   2   .   .   .   .   5    GLN   HB2    .   18023   1    
     29    .   1   1   6    6    GLN   HB3    H   1   2.215   0.005   .   2   .   .   .   .   5    GLN   HB3    .   18023   1    
     30    .   1   1   6    6    GLN   HG2    H   1   2.406   0.005   .   2   .   .   .   .   5    GLN   HG2    .   18023   1    
     31    .   1   1   6    6    GLN   HG3    H   1   2.406   0.005   .   2   .   .   .   .   5    GLN   HG3    .   18023   1    
     32    .   1   1   6    6    GLN   HE21   H   1   7.039   0.005   .   2   .   .   .   .   5    GLN   HE21   .   18023   1    
     33    .   1   1   6    6    GLN   HE22   H   1   7.842   0.005   .   2   .   .   .   .   5    GLN   HE22   .   18023   1    
     34    .   1   1   7    7    TRP   H      H   1   8.119   0.005   .   1   .   .   .   .   6    TRP   H      .   18023   1    
     35    .   1   1   7    7    TRP   HA     H   1   4.186   0.005   .   1   .   .   .   .   6    TRP   HA     .   18023   1    
     36    .   1   1   7    7    TRP   HB2    H   1   3.057   0.005   .   1   .   .   .   .   6    TRP   HB2    .   18023   1    
     37    .   1   1   7    7    TRP   HB3    H   1   3.569   0.005   .   1   .   .   .   .   6    TRP   HB3    .   18023   1    
     38    .   1   1   7    7    TRP   HD1    H   1   6.985   0.005   .   1   .   .   .   .   6    TRP   HD1    .   18023   1    
     39    .   1   1   7    7    TRP   HE1    H   1   9.768   0.005   .   1   .   .   .   .   6    TRP   HE1    .   18023   1    
     40    .   1   1   7    7    TRP   HE3    H   1   6.886   0.005   .   1   .   .   .   .   6    TRP   HE3    .   18023   1    
     41    .   1   1   7    7    TRP   HZ2    H   1   7.184   0.005   .   1   .   .   .   .   6    TRP   HZ2    .   18023   1    
     42    .   1   1   7    7    TRP   HZ3    H   1   7.087   0.005   .   1   .   .   .   .   6    TRP   HZ3    .   18023   1    
     43    .   1   1   7    7    TRP   HH2    H   1   7.241   0.005   .   1   .   .   .   .   6    TRP   HH2    .   18023   1    
     44    .   1   1   8    8    LEU   H      H   1   8.503   0.005   .   1   .   .   .   .   7    LEU   H      .   18023   1    
     45    .   1   1   8    8    LEU   HA     H   1   3.370   0.005   .   1   .   .   .   .   7    LEU   HA     .   18023   1    
     46    .   1   1   8    8    LEU   HB2    H   1   1.883   0.005   .   1   .   .   .   .   7    LEU   HB2    .   18023   1    
     47    .   1   1   8    8    LEU   HB3    H   1   1.390   0.005   .   1   .   .   .   .   7    LEU   HB3    .   18023   1    
     48    .   1   1   8    8    LEU   HG     H   1   1.590   0.005   .   1   .   .   .   .   7    LEU   HG     .   18023   1    
     49    .   1   1   8    8    LEU   HD11   H   1   1.005   0.005   .   2   .   .   .   .   7    LEU   MD1    .   18023   1    
     50    .   1   1   8    8    LEU   HD12   H   1   1.005   0.005   .   2   .   .   .   .   7    LEU   MD1    .   18023   1    
     51    .   1   1   8    8    LEU   HD13   H   1   1.005   0.005   .   2   .   .   .   .   7    LEU   MD1    .   18023   1    
     52    .   1   1   8    8    LEU   HD21   H   1   0.895   0.005   .   2   .   .   .   .   7    LEU   MD2    .   18023   1    
     53    .   1   1   8    8    LEU   HD22   H   1   0.895   0.005   .   2   .   .   .   .   7    LEU   MD2    .   18023   1    
     54    .   1   1   8    8    LEU   HD23   H   1   0.895   0.005   .   2   .   .   .   .   7    LEU   MD2    .   18023   1    
     55    .   1   1   9    9    ALA   H      H   1   7.942   0.005   .   1   .   .   .   .   8    ALA   H      .   18023   1    
     56    .   1   1   9    9    ALA   HA     H   1   4.052   0.005   .   1   .   .   .   .   8    ALA   HA     .   18023   1    
     57    .   1   1   9    9    ALA   HB1    H   1   1.484   0.005   .   1   .   .   .   .   8    ALA   MB     .   18023   1    
     58    .   1   1   9    9    ALA   HB2    H   1   1.484   0.005   .   1   .   .   .   .   8    ALA   MB     .   18023   1    
     59    .   1   1   9    9    ALA   HB3    H   1   1.484   0.005   .   1   .   .   .   .   8    ALA   MB     .   18023   1    
     60    .   1   1   10   10   ASP   H      H   1   7.918   0.005   .   1   .   .   .   .   9    ASP   H      .   18023   1    
     61    .   1   1   10   10   ASP   HA     H   1   4.560   0.005   .   1   .   .   .   .   9    ASP   HA     .   18023   1    
     62    .   1   1   10   10   ASP   HB2    H   1   2.718   0.005   .   1   .   .   .   .   9    ASP   HB2    .   18023   1    
     63    .   1   1   10   10   ASP   HB3    H   1   2.896   0.005   .   1   .   .   .   .   9    ASP   HB3    .   18023   1    
     64    .   1   1   11   11   GLY   H      H   1   7.529   0.005   .   1   .   .   .   .   10   GLY   H      .   18023   1    
     65    .   1   1   11   11   GLY   HA2    H   1   3.440   0.005   .   1   .   .   .   .   10   GLY   HA2    .   18023   1    
     66    .   1   1   11   11   GLY   HA3    H   1   4.174   0.005   .   1   .   .   .   .   10   GLY   HA3    .   18023   1    
     67    .   1   1   12   12   GLY   H      H   1   8.329   0.005   .   1   .   .   .   .   11   GLY   H      .   18023   1    
     68    .   1   1   12   12   GLY   HA2    H   1   0.589   0.005   .   1   .   .   .   .   11   GLY   HA2    .   18023   1    
     69    .   1   1   12   12   GLY   HA3    H   1   3.039   0.005   .   1   .   .   .   .   11   GLY   HA3    .   18023   1    
     70    .   1   1   13   13   PRO   HA     H   1   4.601   0.005   .   1   .   .   .   .   12   PRO   HA     .   18023   1    
     71    .   1   1   13   13   PRO   HB2    H   1   2.065   0.005   .   1   .   .   .   .   12   PRO   HB2    .   18023   1    
     72    .   1   1   13   13   PRO   HB3    H   1   2.530   0.005   .   1   .   .   .   .   12   PRO   HB3    .   18023   1    
     73    .   1   1   13   13   PRO   HG2    H   1   2.172   0.005   .   1   .   .   .   .   12   PRO   HG2    .   18023   1    
     74    .   1   1   13   13   PRO   HG3    H   1   2.172   0.005   .   1   .   .   .   .   12   PRO   HG3    .   18023   1    
     75    .   1   1   13   13   PRO   HD2    H   1   3.812   0.005   .   1   .   .   .   .   12   PRO   HD2    .   18023   1    
     76    .   1   1   13   13   PRO   HD3    H   1   3.460   0.005   .   1   .   .   .   .   12   PRO   HD3    .   18023   1    
     77    .   1   1   14   14   SER   H      H   1   7.642   0.005   .   1   .   .   .   .   13   SER   H      .   18023   1    
     78    .   1   1   14   14   SER   HA     H   1   4.416   0.005   .   1   .   .   .   .   13   SER   HA     .   18023   1    
     79    .   1   1   14   14   SER   HB2    H   1   3.917   0.005   .   2   .   .   .   .   13   SER   HB2    .   18023   1    
     80    .   1   1   14   14   SER   HB3    H   1   3.917   0.005   .   2   .   .   .   .   13   SER   HB3    .   18023   1    
     81    .   1   1   15   15   SER   H      H   1   8.268   0.005   .   1   .   .   .   .   14   SER   H      .   18023   1    
     82    .   1   1   15   15   SER   HA     H   1   4.135   0.005   .   1   .   .   .   .   14   SER   HA     .   18023   1    
     83    .   1   1   15   15   SER   HB2    H   1   3.908   0.005   .   1   .   .   .   .   14   SER   HB2    .   18023   1    
     84    .   1   1   15   15   SER   HB3    H   1   3.499   0.005   .   1   .   .   .   .   14   SER   HB3    .   18023   1    
     85    .   1   1   16   16   GLY   H      H   1   7.890   0.005   .   1   .   .   .   .   15   GLY   H      .   18023   1    
     86    .   1   1   16   16   GLY   HA2    H   1   3.815   0.005   .   1   .   .   .   .   15   GLY   HA2    .   18023   1    
     87    .   1   1   16   16   GLY   HA3    H   1   4.276   0.005   .   1   .   .   .   .   15   GLY   HA3    .   18023   1    
     88    .   1   1   17   17   ARG   H      H   1   8.094   0.005   .   1   .   .   .   .   16   ARG   H      .   18023   1    
     89    .   1   1   17   17   ARG   HA     H   1   5.069   0.005   .   1   .   .   .   .   16   ARG   HA     .   18023   1    
     90    .   1   1   17   17   ARG   HB2    H   1   1.674   0.005   .   2   .   .   .   .   16   ARG   HB2    .   18023   1    
     91    .   1   1   17   17   ARG   HB3    H   1   1.931   0.005   .   2   .   .   .   .   16   ARG   HB3    .   18023   1    
     92    .   1   1   17   17   ARG   HG2    H   1   1.673   0.005   .   2   .   .   .   .   16   ARG   HG2    .   18023   1    
     93    .   1   1   17   17   ARG   HG3    H   1   1.772   0.005   .   2   .   .   .   .   16   ARG   HG3    .   18023   1    
     94    .   1   1   17   17   ARG   HD2    H   1   3.247   0.005   .   2   .   .   .   .   16   ARG   HD2    .   18023   1    
     95    .   1   1   17   17   ARG   HD3    H   1   3.362   0.005   .   2   .   .   .   .   16   ARG   HD3    .   18023   1    
     96    .   1   1   17   17   ARG   HE     H   1   7.779   0.005   .   1   .   .   .   .   16   ARG   HE     .   18023   1    
     97    .   1   1   18   18   PRO   HA     H   1   4.761   0.005   .   1   .   .   .   .   17   PRO   HA     .   18023   1    
     98    .   1   1   18   18   PRO   HB2    H   1   1.762   0.005   .   1   .   .   .   .   17   PRO   HB2    .   18023   1    
     99    .   1   1   18   18   PRO   HB3    H   1   2.303   0.005   .   1   .   .   .   .   17   PRO   HB3    .   18023   1    
     100   .   1   1   18   18   PRO   HG2    H   1   1.778   0.005   .   1   .   .   .   .   17   PRO   HG2    .   18023   1    
     101   .   1   1   18   18   PRO   HG3    H   1   1.778   0.005   .   1   .   .   .   .   17   PRO   HG3    .   18023   1    
     102   .   1   1   18   18   PRO   HD2    H   1   3.689   0.005   .   1   .   .   .   .   17   PRO   HD2    .   18023   1    
     103   .   1   1   18   18   PRO   HD3    H   1   3.884   0.005   .   1   .   .   .   .   17   PRO   HD3    .   18023   1    
     104   .   1   1   19   19   PRO   HA     H   1   2.368   0.005   .   1   .   .   .   .   18   PRO   HA     .   18023   1    
     105   .   1   1   19   19   PRO   HB2    H   1   1.293   0.005   .   1   .   .   .   .   18   PRO   HB2    .   18023   1    
     106   .   1   1   19   19   PRO   HB3    H   1   0.167   0.005   .   1   .   .   .   .   18   PRO   HB3    .   18023   1    
     107   .   1   1   19   19   PRO   HG2    H   1   1.756   0.005   .   1   .   .   .   .   18   PRO   HG2    .   18023   1    
     108   .   1   1   19   19   PRO   HG3    H   1   1.871   0.005   .   1   .   .   .   .   18   PRO   HG3    .   18023   1    
     109   .   1   1   19   19   PRO   HD2    H   1   3.533   0.005   .   1   .   .   .   .   18   PRO   HD2    .   18023   1    
     110   .   1   1   19   19   PRO   HD3    H   1   3.533   0.005   .   1   .   .   .   .   18   PRO   HD3    .   18023   1    
     111   .   1   1   20   20   PRO   HA     H   1   4.587   0.005   .   1   .   .   .   .   19   PRO   HA     .   18023   1    
     112   .   1   1   20   20   PRO   HB2    H   1   1.912   0.005   .   1   .   .   .   .   19   PRO   HB2    .   18023   1    
     113   .   1   1   20   20   PRO   HB3    H   1   2.282   0.005   .   1   .   .   .   .   19   PRO   HB3    .   18023   1    
     114   .   1   1   20   20   PRO   HG2    H   1   1.653   0.005   .   1   .   .   .   .   19   PRO   HG2    .   18023   1    
     115   .   1   1   20   20   PRO   HG3    H   1   1.653   0.005   .   1   .   .   .   .   19   PRO   HG3    .   18023   1    
     116   .   1   1   20   20   PRO   HD2    H   1   2.801   0.005   .   1   .   .   .   .   19   PRO   HD2    .   18023   1    
     117   .   1   1   20   20   PRO   HD3    H   1   3.337   0.005   .   1   .   .   .   .   19   PRO   HD3    .   18023   1    
     118   .   1   1   21   21   SER   H      H   1   8.513   0.005   .   1   .   .   .   .   20   SER   H      .   18023   1    
     119   .   1   1   21   21   SER   HA     H   1   4.224   0.005   .   1   .   .   .   .   20   SER   HA     .   18023   1    
     120   .   1   1   21   21   SER   HB2    H   1   3.807   0.005   .   2   .   .   .   .   20   SER   HB2    .   18023   1    
     121   .   1   1   21   21   SER   HB3    H   1   3.807   0.005   .   2   .   .   .   .   20   SER   HB3    .   18023   1    
     122   .   1   1   22   22   GLY   H      H   1   7.903   0.005   .   1   .   .   .   .   21   GLY   H      .   18023   1    
     123   .   1   1   22   22   GLY   HA2    H   1   3.808   0.005   .   2   .   .   .   .   21   GLY   HA2    .   18023   1    
     124   .   1   1   22   22   GLY   HA3    H   1   4.179   0.005   .   2   .   .   .   .   21   GLY   HA3    .   18023   1    

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