###################################
     #  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                     27384
   _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 NOESY'   .   .   .   27384   1    
     2   '2D 1H-1H TOCSY'   .   .   .   27384   1    
     3   '2D 1H-13C HSQC'   .   .   .   27384   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.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    PCA   H      H   1   7.770   0.001   .   1   .   .   .   .   .   1    PCA   H      .   27384   1    
     2     .   1   1   1    1    PCA   HA     H   1   4.234   0.000   .   1   .   .   .   .   .   1    PCA   HA     .   27384   1    
     3     .   1   1   1    1    PCA   HB2    H   1   2.286   0.000   .   2   .   .   .   .   .   1    PCA   HB2    .   27384   1    
     4     .   1   1   1    1    PCA   HB3    H   1   2.391   0.000   .   2   .   .   .   .   .   1    PCA   HB3    .   27384   1    
     5     .   1   1   1    1    PCA   HG2    H   1   1.897   0.000   .   1   .   .   .   .   .   1    PCA   HG2    .   27384   1    
     6     .   1   1   1    1    PCA   HG3    H   1   1.897   0.000   .   1   .   .   .   .   .   1    PCA   HG3    .   27384   1    
     7     .   1   1   2    2    ARG   H      H   1   8.321   0.001   .   1   .   .   .   .   .   2    ARG   H      .   27384   1    
     8     .   1   1   2    2    ARG   HA     H   1   4.188   0.002   .   1   .   .   .   .   .   2    ARG   HA     .   27384   1    
     9     .   1   1   2    2    ARG   HB2    H   1   1.663   0.000   .   2   .   .   .   .   .   2    ARG   HB2    .   27384   1    
     10    .   1   1   2    2    ARG   HB3    H   1   1.590   0.000   .   2   .   .   .   .   .   2    ARG   HB3    .   27384   1    
     11    .   1   1   2    2    ARG   HG2    H   1   1.496   0.000   .   2   .   .   .   .   .   2    ARG   HG2    .   27384   1    
     12    .   1   1   2    2    ARG   HG3    H   1   1.510   0.000   .   2   .   .   .   .   .   2    ARG   HG3    .   27384   1    
     13    .   1   1   3    3    LEU   H      H   1   8.333   0.000   .   1   .   .   .   .   .   3    LEU   H      .   27384   1    
     14    .   1   1   3    3    LEU   HA     H   1   4.272   0.003   .   1   .   .   .   .   .   3    LEU   HA     .   27384   1    
     15    .   1   1   3    3    LEU   HB2    H   1   1.529   0.025   .   1   .   .   .   .   .   3    LEU   HB2    .   27384   1    
     16    .   1   1   3    3    LEU   HB3    H   1   1.529   0.025   .   1   .   .   .   .   .   3    LEU   HB3    .   27384   1    
     17    .   1   1   3    3    LEU   HG     H   1   1.450   0.026   .   1   .   .   .   .   .   3    LEU   HG     .   27384   1    
     18    .   1   1   3    3    LEU   HD11   H   1   0.743   0.001   .   2   .   .   .   .   .   3    LEU   HD11   .   27384   1    
     19    .   1   1   3    3    LEU   HD12   H   1   0.743   0.001   .   2   .   .   .   .   .   3    LEU   HD12   .   27384   1    
     20    .   1   1   3    3    LEU   HD13   H   1   0.743   0.001   .   2   .   .   .   .   .   3    LEU   HD13   .   27384   1    
     21    .   1   1   3    3    LEU   HD21   H   1   0.744   0.000   .   2   .   .   .   .   .   3    LEU   HD21   .   27384   1    
     22    .   1   1   3    3    LEU   HD22   H   1   0.744   0.000   .   2   .   .   .   .   .   3    LEU   HD22   .   27384   1    
     23    .   1   1   3    3    LEU   HD23   H   1   0.744   0.000   .   2   .   .   .   .   .   3    LEU   HD23   .   27384   1    
     24    .   1   1   4    4    CYS   H      H   1   8.608   0.002   .   1   .   .   .   .   .   4    CYS   H      .   27384   1    
     25    .   1   1   4    4    CYS   HA     H   1   4.157   0.003   .   1   .   .   .   .   .   4    CYS   HA     .   27384   1    
     26    .   1   1   4    4    CYS   HB2    H   1   3.277   0.006   .   2   .   .   .   .   .   4    CYS   HB2    .   27384   1    
     27    .   1   1   4    4    CYS   HB3    H   1   3.569   0.005   .   2   .   .   .   .   .   4    CYS   HB3    .   27384   1    
     28    .   1   1   5    5    CYS   H      H   1   7.927   0.022   .   1   .   .   .   .   .   5    CYS   H      .   27384   1    
     29    .   1   1   5    5    CYS   HA     H   1   4.886   0.006   .   1   .   .   .   .   .   5    CYS   HA     .   27384   1    
     30    .   1   1   5    5    CYS   HB2    H   1   2.589   0.000   .   1   .   .   .   .   .   5    CYS   HB2    .   27384   1    
     31    .   1   1   6    6    GLY   H      H   1   8.501   0.003   .   1   .   .   .   .   .   6    GLY   H      .   27384   1    
     32    .   1   1   6    6    GLY   HA2    H   1   3.762   0.002   .   1   .   .   .   .   .   6    GLY   HA2    .   27384   1    
     33    .   1   1   7    7    PHE   H      H   1   8.093   0.003   .   1   .   .   .   .   .   7    PHE   H      .   27384   1    
     34    .   1   1   7    7    PHE   HA     H   1   4.740   0.004   .   1   .   .   .   .   .   7    PHE   HA     .   27384   1    
     35    .   1   1   7    7    PHE   HB2    H   1   2.997   0.006   .   2   .   .   .   .   .   7    PHE   HB2    .   27384   1    
     36    .   1   1   7    7    PHE   HB3    H   1   2.781   0.005   .   2   .   .   .   .   .   7    PHE   HB3    .   27384   1    
     37    .   1   1   7    7    PHE   HD1    H   1   7.137   0.001   .   1   .   .   .   .   .   7    PHE   HD1    .   27384   1    
     38    .   1   1   7    7    PHE   HD2    H   1   7.137   0.001   .   1   .   .   .   .   .   7    PHE   HD2    .   27384   1    
     39    .   1   1   7    7    PHE   HZ     H   1   7.157   0.000   .   1   .   .   .   .   .   7    PHE   HZ     .   27384   1    
     40    .   1   1   8    8    HYP   HA     H   1   4.457   0.007   .   1   .   .   .   .   .   8    HYP   HA     .   27384   1    
     41    .   1   1   8    8    HYP   HB2    H   1   2.212   0.005   .   2   .   .   .   .   .   8    HYP   HB2    .   27384   1    
     42    .   1   1   8    8    HYP   HB3    H   1   1.923   0.002   .   2   .   .   .   .   .   8    HYP   HB3    .   27384   1    
     43    .   1   1   8    8    HYP   HG     H   1   4.463   0.003   .   1   .   .   .   .   .   8    HYP   HG     .   27384   1    
     44    .   1   1   8    8    HYP   HD22   H   1   3.586   0.006   .   2   .   .   .   .   .   8    HYP   HD22   .   27384   1    
     45    .   1   1   8    8    HYP   HD23   H   1   3.760   0.011   .   2   .   .   .   .   .   8    HYP   HD23   .   27384   1    
     46    .   1   1   9    9    LYS   H      H   1   8.528   0.003   .   1   .   .   .   .   .   9    LYS   H      .   27384   1    
     47    .   1   1   9    9    LYS   HA     H   1   4.162   0.003   .   1   .   .   .   .   .   9    LYS   HA     .   27384   1    
     48    .   1   1   9    9    LYS   HB2    H   1   1.669   0.002   .   2   .   .   .   .   .   9    LYS   HB2    .   27384   1    
     49    .   1   1   9    9    LYS   HB3    H   1   1.747   0.003   .   2   .   .   .   .   .   9    LYS   HB3    .   27384   1    
     50    .   1   1   9    9    LYS   HG2    H   1   1.400   0.000   .   1   .   .   .   .   .   9    LYS   HG2    .   27384   1    
     51    .   1   1   9    9    LYS   HG3    H   1   1.400   0.000   .   1   .   .   .   .   .   9    LYS   HG3    .   27384   1    
     52    .   1   1   9    9    LYS   HD2    H   1   1.583   0.003   .   2   .   .   .   .   .   9    LYS   HD2    .   27384   1    
     53    .   1   1   9    9    LYS   HD3    H   1   1.581   0.000   .   2   .   .   .   .   .   9    LYS   HD3    .   27384   1    
     54    .   1   1   9    9    LYS   HZ1    H   1   7.419   0.000   .   1   .   .   .   .   .   9    LYS   HZ1    .   27384   1    
     55    .   1   1   9    9    LYS   HZ2    H   1   7.419   0.000   .   1   .   .   .   .   .   9    LYS   HZ2    .   27384   1    
     56    .   1   1   9    9    LYS   HZ3    H   1   7.419   0.000   .   1   .   .   .   .   .   9    LYS   HZ3    .   27384   1    
     57    .   1   1   10   10   SER   H      H   1   8.150   0.002   .   1   .   .   .   .   .   10   SER   H      .   27384   1    
     58    .   1   1   10   10   SER   HA     H   1   4.277   0.001   .   1   .   .   .   .   .   10   SER   HA     .   27384   1    
     59    .   1   1   10   10   SER   HB2    H   1   3.724   0.000   .   2   .   .   .   .   .   10   SER   HB2    .   27384   1    
     60    .   1   1   10   10   SER   HB3    H   1   3.748   0.003   .   2   .   .   .   .   .   10   SER   HB3    .   27384   1    
     61    .   1   1   11   11   CYS   H      H   1   8.319   0.002   .   1   .   .   .   .   .   11   CYS   H      .   27384   1    
     62    .   1   1   11   11   CYS   HA     H   1   4.592   0.001   .   1   .   .   .   .   .   11   CYS   HA     .   27384   1    
     63    .   1   1   11   11   CYS   HB2    H   1   2.995   0.001   .   2   .   .   .   .   .   11   CYS   HB2    .   27384   1    
     64    .   1   1   11   11   CYS   HB3    H   1   3.080   0.003   .   2   .   .   .   .   .   11   CYS   HB3    .   27384   1    
     65    .   1   1   12   12   ARG   H      H   1   8.629   0.003   .   1   .   .   .   .   .   12   ARG   H      .   27384   1    
     66    .   1   1   12   12   ARG   HA     H   1   4.312   0.003   .   1   .   .   .   .   .   12   ARG   HA     .   27384   1    
     67    .   1   1   12   12   ARG   HB2    H   1   1.850   0.004   .   2   .   .   .   .   .   12   ARG   HB2    .   27384   1    
     68    .   1   1   12   12   ARG   HB3    H   1   1.603   0.004   .   2   .   .   .   .   .   12   ARG   HB3    .   27384   1    
     69    .   1   1   12   12   ARG   HG2    H   1   1.505   0.004   .   1   .   .   .   .   .   12   ARG   HG2    .   27384   1    
     70    .   1   1   12   12   ARG   HG3    H   1   1.505   0.004   .   1   .   .   .   .   .   12   ARG   HG3    .   27384   1    
     71    .   1   1   12   12   ARG   HD2    H   1   3.067   0.002   .   1   .   .   .   .   .   12   ARG   HD2    .   27384   1    
     72    .   1   1   12   12   ARG   HD3    H   1   3.067   0.002   .   1   .   .   .   .   .   12   ARG   HD3    .   27384   1    
     73    .   1   1   13   13   SER   H      H   1   7.788   0.003   .   1   .   .   .   .   .   13   SER   H      .   27384   1    
     74    .   1   1   13   13   SER   HA     H   1   4.375   0.001   .   1   .   .   .   .   .   13   SER   HA     .   27384   1    
     75    .   1   1   13   13   SER   HB2    H   1   3.895   0.003   .   2   .   .   .   .   .   13   SER   HB2    .   27384   1    
     76    .   1   1   13   13   SER   HB3    H   1   3.792   0.001   .   2   .   .   .   .   .   13   SER   HB3    .   27384   1    
     77    .   1   1   14   14   ARG   H      H   1   8.303   0.005   .   1   .   .   .   .   .   14   ARG   H      .   27384   1    
     78    .   1   1   14   14   ARG   HA     H   1   4.027   0.002   .   1   .   .   .   .   .   14   ARG   HA     .   27384   1    
     79    .   1   1   14   14   ARG   HB2    H   1   1.758   0.005   .   1   .   .   .   .   .   14   ARG   HB2    .   27384   1    
     80    .   1   1   14   14   ARG   HB3    H   1   1.758   0.005   .   1   .   .   .   .   .   14   ARG   HB3    .   27384   1    
     81    .   1   1   14   14   ARG   HG2    H   1   1.528   0.005   .   1   .   .   .   .   .   14   ARG   HG2    .   27384   1    
     82    .   1   1   14   14   ARG   HG3    H   1   1.528   0.005   .   1   .   .   .   .   .   14   ARG   HG3    .   27384   1    
     83    .   1   1   14   14   ARG   HD2    H   1   3.080   0.001   .   1   .   .   .   .   .   14   ARG   HD2    .   27384   1    
     84    .   1   1   14   14   ARG   HE     H   1   7.079   0.000   .   1   .   .   .   .   .   14   ARG   HE     .   27384   1    
     85    .   1   1   15   15   GLN   H      H   1   8.102   0.001   .   1   .   .   .   .   .   15   GLN   H      .   27384   1    
     86    .   1   1   15   15   GLN   HA     H   1   4.179   0.002   .   1   .   .   .   .   .   15   GLN   HA     .   27384   1    
     87    .   1   1   15   15   GLN   HB2    H   1   1.954   0.032   .   2   .   .   .   .   .   15   GLN   HB2    .   27384   1    
     88    .   1   1   15   15   GLN   HB3    H   1   1.858   0.003   .   2   .   .   .   .   .   15   GLN   HB3    .   27384   1    
     89    .   1   1   15   15   GLN   HG2    H   1   2.218   0.002   .   1   .   .   .   .   .   15   GLN   HG2    .   27384   1    
     90    .   1   1   15   15   GLN   HG3    H   1   2.218   0.002   .   1   .   .   .   .   .   15   GLN   HG3    .   27384   1    
     91    .   1   1   16   16   CYS   H      H   1   7.980   0.002   .   1   .   .   .   .   .   16   CYS   H      .   27384   1    
     92    .   1   1   16   16   CYS   HA     H   1   4.469   0.001   .   1   .   .   .   .   .   16   CYS   HA     .   27384   1    
     93    .   1   1   16   16   CYS   HB2    H   1   3.084   0.002   .   2   .   .   .   .   .   16   CYS   HB2    .   27384   1    
     94    .   1   1   16   16   CYS   HB3    H   1   2.957   0.003   .   2   .   .   .   .   .   16   CYS   HB3    .   27384   1    
     95    .   1   1   17   17   LYS   H      H   1   8.072   0.004   .   1   .   .   .   .   .   17   LYS   H      .   27384   1    
     96    .   1   1   17   17   LYS   HA     H   1   4.458   0.011   .   1   .   .   .   .   .   17   LYS   HA     .   27384   1    
     97    .   1   1   17   17   LYS   HB2    H   1   1.586   0.005   .   2   .   .   .   .   .   17   LYS   HB2    .   27384   1    
     98    .   1   1   17   17   LYS   HB3    H   1   1.666   0.004   .   2   .   .   .   .   .   17   LYS   HB3    .   27384   1    
     99    .   1   1   17   17   LYS   HG2    H   1   1.330   0.004   .   2   .   .   .   .   .   17   LYS   HG2    .   27384   1    
     100   .   1   1   17   17   LYS   HG3    H   1   1.334   0.000   .   2   .   .   .   .   .   17   LYS   HG3    .   27384   1    
     101   .   1   1   17   17   LYS   HD2    H   1   1.547   0.000   .   1   .   .   .   .   .   17   LYS   HD2    .   27384   1    
     102   .   1   1   17   17   LYS   HD3    H   1   1.547   0.000   .   1   .   .   .   .   .   17   LYS   HD3    .   27384   1    
     103   .   1   1   18   18   HYP   HA     H   1   4.398   0.006   .   1   .   .   .   .   .   18   HYP   HA     .   27384   1    
     104   .   1   1   18   18   HYP   HB2    H   1   2.177   0.005   .   2   .   .   .   .   .   18   HYP   HB2    .   27384   1    
     105   .   1   1   18   18   HYP   HB3    H   1   1.838   0.005   .   2   .   .   .   .   .   18   HYP   HB3    .   27384   1    
     106   .   1   1   18   18   HYP   HG     H   1   4.456   0.001   .   1   .   .   .   .   .   18   HYP   HG     .   27384   1    
     107   .   1   1   18   18   HYP   HD22   H   1   3.728   0.002   .   2   .   .   .   .   .   18   HYP   HD22   .   27384   1    
     108   .   1   1   18   18   HYP   HD23   H   1   3.648   0.002   .   2   .   .   .   .   .   18   HYP   HD23   .   27384   1    
     109   .   1   1   19   19   HIS   H      H   1   8.655   0.003   .   1   .   .   .   .   .   19   HIS   H      .   27384   1    
     110   .   1   1   19   19   HIS   HA     H   1   4.533   0.005   .   1   .   .   .   .   .   19   HIS   HA     .   27384   1    
     111   .   1   1   19   19   HIS   HB2    H   1   3.076   0.004   .   1   .   .   .   .   .   19   HIS   HB2    .   27384   1    
     112   .   1   1   19   19   HIS   HB3    H   1   3.076   0.004   .   1   .   .   .   .   .   19   HIS   HB3    .   27384   1    
     113   .   1   1   20   20   ARG   H      H   1   8.343   0.000   .   1   .   .   .   .   .   20   ARG   H      .   27384   1    
     114   .   1   1   20   20   ARG   HA     H   1   4.188   0.002   .   1   .   .   .   .   .   20   ARG   HA     .   27384   1    
     115   .   1   1   20   20   ARG   HB2    H   1   1.714   0.001   .   2   .   .   .   .   .   20   ARG   HB2    .   27384   1    
     116   .   1   1   20   20   ARG   HB3    H   1   1.607   0.002   .   2   .   .   .   .   .   20   ARG   HB3    .   27384   1    
     117   .   1   1   20   20   ARG   HG2    H   1   1.501   0.001   .   1   .   .   .   .   .   20   ARG   HG2    .   27384   1    
     118   .   1   1   21   21   CYS   H      H   1   8.156   0.002   .   1   .   .   .   .   .   21   CYS   H      .   27384   1    
     119   .   1   1   21   21   CYS   HA     H   1   4.821   0.003   .   1   .   .   .   .   .   21   CYS   HA     .   27384   1    
     120   .   1   1   21   21   CYS   HB2    H   1   3.289   0.001   .   2   .   .   .   .   .   21   CYS   HB2    .   27384   1    
     121   .   1   1   21   21   CYS   HB3    H   1   3.481   0.003   .   2   .   .   .   .   .   21   CYS   HB3    .   27384   1    
     122   .   1   1   22   22   CYS   H      H   1   8.673   0.002   .   1   .   .   .   .   .   22   CYS   H      .   27384   1    
     123   .   1   1   22   22   CYS   HA     H   1   3.821   0.000   .   1   .   .   .   .   .   22   CYS   HA     .   27384   1    
     124   .   1   1   22   22   CYS   HB2    H   1   3.216   0.000   .   1   .   .   .   .   .   22   CYS   HB2    .   27384   1    

   stop_

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