###################################
     #  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                     18803
   _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   $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-15N HSQC'       .   .   .   18803   1    
     2   'BEST 3D HNCACB'       .   .   .   18803   1    
     3   '3D HBHA(CO)NH'        .   .   .   18803   1    
     5   'BEST 3D CBCA(CO)NH'   .   .   .   18803   1    
     6   'BEST 3D HNCA'         .   .   .   18803   1    
     7   'BEST 3D HNCO'         .   .   .   18803   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   3    3    PRO   CA   C   13   64.124    0.054   .   1   .   .   .   .   .   199   PRO   CA   .   18803   1    
     2     .   1   .   1   3    3    PRO   CB   C   13   33.086    0.008   .   1   .   .   .   .   .   199   PRO   CB   .   18803   1    
     3     .   1   .   1   4    4    ALA   H    H   1    8.455     0.002   .   1   .   .   .   .   .   200   ALA   H    .   18803   1    
     4     .   1   .   1   4    4    ALA   CA   C   13   53.572    0.018   .   1   .   .   .   .   .   200   ALA   CA   .   18803   1    
     5     .   1   .   1   4    4    ALA   CB   C   13   20.150    0.077   .   1   .   .   .   .   .   200   ALA   CB   .   18803   1    
     6     .   1   .   1   4    4    ALA   N    N   15   124.234   0.202   .   1   .   .   .   .   .   200   ALA   N    .   18803   1    
     7     .   1   .   1   5    5    SER   H    H   1    8.281     0.001   .   1   .   .   .   .   .   201   SER   H    .   18803   1    
     8     .   1   .   1   5    5    SER   CA   C   13   59.178    0.039   .   1   .   .   .   .   .   201   SER   CA   .   18803   1    
     9     .   1   .   1   5    5    SER   CB   C   13   64.689    0       .   1   .   .   .   .   .   201   SER   CB   .   18803   1    
     10    .   1   .   1   5    5    SER   N    N   15   114.791   0.025   .   1   .   .   .   .   .   201   SER   N    .   18803   1    
     11    .   1   .   1   7    7    SER   CA   C   13   59.557    0.029   .   1   .   .   .   .   .   203   SER   CA   .   18803   1    
     12    .   1   .   1   7    7    SER   CB   C   13   64.696    0.022   .   1   .   .   .   .   .   203   SER   CB   .   18803   1    
     13    .   1   .   1   8    8    GLY   H    H   1    8.459     0.002   .   1   .   .   .   .   .   204   GLY   H    .   18803   1    
     14    .   1   .   1   8    8    GLY   CA   C   13   46.347    0.077   .   1   .   .   .   .   .   204   GLY   CA   .   18803   1    
     15    .   1   .   1   8    8    GLY   N    N   15   111.013   0.096   .   1   .   .   .   .   .   204   GLY   N    .   18803   1    
     16    .   1   .   1   9    9    SER   H    H   1    8.254     0.001   .   1   .   .   .   .   .   205   SER   H    .   18803   1    
     17    .   1   .   1   9    9    SER   CA   C   13   59.437    0.038   .   1   .   .   .   .   .   205   SER   CA   .   18803   1    
     18    .   1   .   1   9    9    SER   CB   C   13   64.737    0.029   .   1   .   .   .   .   .   205   SER   CB   .   18803   1    
     19    .   1   .   1   9    9    SER   N    N   15   115.796   0.027   .   1   .   .   .   .   .   205   SER   N    .   18803   1    
     20    .   1   .   1   10   10   ARG   H    H   1    8.482     0.001   .   1   .   .   .   .   .   206   ARG   H    .   18803   1    
     21    .   1   .   1   10   10   ARG   CA   C   13   57.173    0.061   .   1   .   .   .   .   .   206   ARG   CA   .   18803   1    
     22    .   1   .   1   10   10   ARG   CB   C   13   31.568    0.077   .   1   .   .   .   .   .   206   ARG   CB   .   18803   1    
     23    .   1   .   1   10   10   ARG   N    N   15   123.132   0.101   .   1   .   .   .   .   .   206   ARG   N    .   18803   1    
     24    .   1   .   1   11   11   SER   H    H   1    8.344     0.004   .   1   .   .   .   .   .   207   SER   H    .   18803   1    
     25    .   1   .   1   11   11   SER   CA   C   13   59.495    0.057   .   1   .   .   .   .   .   207   SER   CA   .   18803   1    
     26    .   1   .   1   11   11   SER   CB   C   13   64.602    0.019   .   1   .   .   .   .   .   207   SER   CB   .   18803   1    
     27    .   1   .   1   11   11   SER   N    N   15   116.858   0.087   .   1   .   .   .   .   .   207   SER   N    .   18803   1    
     28    .   1   .   1   12   12   GLN   H    H   1    8.431     0.002   .   1   .   .   .   .   .   208   GLN   H    .   18803   1    
     29    .   1   .   1   12   12   GLN   CA   C   13   56.828    0.02    .   1   .   .   .   .   .   208   GLN   CA   .   18803   1    
     30    .   1   .   1   12   12   GLN   CB   C   13   30.385    0.042   .   1   .   .   .   .   .   208   GLN   CB   .   18803   1    
     31    .   1   .   1   12   12   GLN   N    N   15   122.311   0.095   .   1   .   .   .   .   .   208   GLN   N    .   18803   1    
     32    .   1   .   1   13   13   SER   H    H   1    8.350     0.002   .   1   .   .   .   .   .   209   SER   H    .   18803   1    
     33    .   1   .   1   13   13   SER   CA   C   13   59.344    0.012   .   1   .   .   .   .   .   209   SER   CA   .   18803   1    
     34    .   1   .   1   13   13   SER   CB   C   13   64.675    0.005   .   1   .   .   .   .   .   209   SER   CB   .   18803   1    
     35    .   1   .   1   13   13   SER   N    N   15   117.133   0.026   .   1   .   .   .   .   .   209   SER   N    .   18803   1    
     36    .   1   .   1   14   14   ARG   H    H   1    8.422     0.002   .   1   .   .   .   .   .   210   ARG   H    .   18803   1    
     37    .   1   .   1   14   14   ARG   CA   C   13   56.969    0.037   .   1   .   .   .   .   .   210   ARG   CA   .   18803   1    
     38    .   1   .   1   14   14   ARG   CB   C   13   31.895    0.055   .   1   .   .   .   .   .   210   ARG   CB   .   18803   1    
     39    .   1   .   1   14   14   ARG   N    N   15   123.171   0.074   .   1   .   .   .   .   .   210   ARG   N    .   18803   1    
     40    .   1   .   1   15   15   GLY   H    H   1    8.286     0.002   .   1   .   .   .   .   .   211   GLY   H    .   18803   1    
     41    .   1   .   1   15   15   GLY   CA   C   13   45.596    0.086   .   1   .   .   .   .   .   211   GLY   CA   .   18803   1    
     42    .   1   .   1   15   15   GLY   N    N   15   109.912   0.115   .   1   .   .   .   .   .   211   GLY   N    .   18803   1    
     43    .   1   .   1   16   16   PRO   CA   C   13   64.366    0.061   .   1   .   .   .   .   .   212   PRO   CA   .   18803   1    
     44    .   1   .   1   16   16   PRO   CB   C   13   33.072    0.067   .   1   .   .   .   .   .   212   PRO   CB   .   18803   1    
     45    .   1   .   1   17   17   ASN   H    H   1    8.566     0.001   .   1   .   .   .   .   .   213   ASN   H    .   18803   1    
     46    .   1   .   1   17   17   ASN   CA   C   13   54.233    0.072   .   1   .   .   .   .   .   213   ASN   CA   .   18803   1    
     47    .   1   .   1   17   17   ASN   CB   C   13   39.638    0.056   .   1   .   .   .   .   .   213   ASN   CB   .   18803   1    
     48    .   1   .   1   17   17   ASN   N    N   15   118.399   0.033   .   1   .   .   .   .   .   213   ASN   N    .   18803   1    
     49    .   1   .   1   18   18   ASN   H    H   1    8.314     0.001   .   1   .   .   .   .   .   214   ASN   H    .   18803   1    
     50    .   1   .   1   18   18   ASN   CA   C   13   54.337    0.024   .   1   .   .   .   .   .   214   ASN   CA   .   18803   1    
     51    .   1   .   1   18   18   ASN   CB   C   13   39.730    0.029   .   1   .   .   .   .   .   214   ASN   CB   .   18803   1    
     52    .   1   .   1   18   18   ASN   N    N   15   119.308   0.046   .   1   .   .   .   .   .   214   ASN   N    .   18803   1    
     53    .   1   .   1   19   19   ARG   H    H   1    8.230     0.002   .   1   .   .   .   .   .   215   ARG   H    .   18803   1    
     54    .   1   .   1   19   19   ARG   CA   C   13   57.207    0.013   .   1   .   .   .   .   .   215   ARG   CA   .   18803   1    
     55    .   1   .   1   19   19   ARG   CB   C   13   31.542    0.066   .   1   .   .   .   .   .   215   ARG   CB   .   18803   1    
     56    .   1   .   1   19   19   ARG   N    N   15   121.143   0.073   .   1   .   .   .   .   .   215   ARG   N    .   18803   1    
     57    .   1   .   1   20   20   ALA   H    H   1    8.266     0.001   .   1   .   .   .   .   .   216   ALA   H    .   18803   1    
     58    .   1   .   1   20   20   ALA   CA   C   13   53.584    0.018   .   1   .   .   .   .   .   216   ALA   CA   .   18803   1    
     59    .   1   .   1   20   20   ALA   CB   C   13   20.215    0.004   .   1   .   .   .   .   .   216   ALA   CB   .   18803   1    
     60    .   1   .   1   20   20   ALA   N    N   15   124.885   0.133   .   1   .   .   .   .   .   216   ALA   N    .   18803   1    
     61    .   1   .   1   21   21   ARG   H    H   1    8.319     0.001   .   1   .   .   .   .   .   217   ARG   H    .   18803   1    
     62    .   1   .   1   21   21   ARG   CA   C   13   57.055    0.015   .   1   .   .   .   .   .   217   ARG   CA   .   18803   1    
     63    .   1   .   1   21   21   ARG   CB   C   13   31.779    0.009   .   1   .   .   .   .   .   217   ARG   CB   .   18803   1    
     64    .   1   .   1   21   21   ARG   N    N   15   120.459   0.059   .   1   .   .   .   .   .   217   ARG   N    .   18803   1    
     65    .   1   .   1   22   22   SER   H    H   1    8.372     0       .   1   .   .   .   .   .   218   SER   H    .   18803   1    
     66    .   1   .   1   22   22   SER   CA   C   13   59.287    0.027   .   1   .   .   .   .   .   218   SER   CA   .   18803   1    
     67    .   1   .   1   22   22   SER   CB   C   13   64.739    0       .   1   .   .   .   .   .   218   SER   CB   .   18803   1    
     68    .   1   .   1   22   22   SER   N    N   15   117.020   0.026   .   1   .   .   .   .   .   218   SER   N    .   18803   1    
     69    .   1   .   1   23   23   SER   H    H   1    8.435     0       .   1   .   .   .   .   .   219   SER   H    .   18803   1    
     70    .   1   .   1   23   23   SER   CA   C   13   59.394    0.009   .   1   .   .   .   .   .   219   SER   CA   .   18803   1    
     71    .   1   .   1   23   23   SER   CB   C   13   64.734    0       .   1   .   .   .   .   .   219   SER   CB   .   18803   1    
     72    .   1   .   1   23   23   SER   N    N   15   117.932   0.006   .   1   .   .   .   .   .   219   SER   N    .   18803   1    
     73    .   1   .   1   24   24   SER   H    H   1    8.365     0       .   1   .   .   .   .   .   220   SER   H    .   18803   1    
     74    .   1   .   1   24   24   SER   CA   C   13   59.609    0.028   .   1   .   .   .   .   .   220   SER   CA   .   18803   1    
     75    .   1   .   1   24   24   SER   CB   C   13   64.680    0.004   .   1   .   .   .   .   .   220   SER   CB   .   18803   1    
     76    .   1   .   1   24   24   SER   N    N   15   117.499   0.011   .   1   .   .   .   .   .   220   SER   N    .   18803   1    
     77    .   1   .   1   25   25   ASN   H    H   1    8.402     0.002   .   1   .   .   .   .   .   221   ASN   H    .   18803   1    
     78    .   1   .   1   25   25   ASN   CA   C   13   54.252    0.033   .   1   .   .   .   .   .   221   ASN   CA   .   18803   1    
     79    .   1   .   1   25   25   ASN   CB   C   13   39.692    0.051   .   1   .   .   .   .   .   221   ASN   CB   .   18803   1    
     80    .   1   .   1   25   25   ASN   N    N   15   120.541   0.073   .   1   .   .   .   .   .   221   ASN   N    .   18803   1    
     81    .   1   .   1   26   26   GLN   H    H   1    8.250     0.001   .   1   .   .   .   .   .   222   GLN   H    .   18803   1    
     82    .   1   .   1   26   26   GLN   CA   C   13   56.862    0.004   .   1   .   .   .   .   .   222   GLN   CA   .   18803   1    
     83    .   1   .   1   26   26   GLN   CB   C   13   30.363    0.081   .   1   .   .   .   .   .   222   GLN   CB   .   18803   1    
     84    .   1   .   1   26   26   GLN   N    N   15   120.343   0.056   .   1   .   .   .   .   .   222   GLN   N    .   18803   1    
     85    .   1   .   1   27   27   ARG   H    H   1    8.350     0.001   .   1   .   .   .   .   .   223   ARG   H    .   18803   1    
     86    .   1   .   1   27   27   ARG   CA   C   13   56.997    0.026   .   1   .   .   .   .   .   223   ARG   CA   .   18803   1    
     87    .   1   .   1   27   27   ARG   CB   C   13   31.689    0.118   .   1   .   .   .   .   .   223   ARG   CB   .   18803   1    
     88    .   1   .   1   27   27   ARG   N    N   15   122.252   0.08    .   1   .   .   .   .   .   223   ARG   N    .   18803   1    
     89    .   1   .   1   28   28   GLN   H    H   1    8.423     0.001   .   1   .   .   .   .   .   224   GLN   H    .   18803   1    
     90    .   1   .   1   28   28   GLN   CA   C   13   54.553    0.009   .   1   .   .   .   .   .   224   GLN   CA   .   18803   1    
     91    .   1   .   1   28   28   GLN   CB   C   13   29.784    0       .   1   .   .   .   .   .   224   GLN   CB   .   18803   1    
     92    .   1   .   1   28   28   GLN   N    N   15   122.916   0.115   .   1   .   .   .   .   .   224   GLN   N    .   18803   1    
     93    .   1   .   1   29   29   PRO   CA   C   13   64.100    0.068   .   1   .   .   .   .   .   225   PRO   CA   .   18803   1    
     94    .   1   .   1   29   29   PRO   CB   C   13   33.064    0.099   .   1   .   .   .   .   .   225   PRO   CB   .   18803   1    
     95    .   1   .   1   30   30   ALA   H    H   1    8.469     0.001   .   1   .   .   .   .   .   226   ALA   H    .   18803   1    
     96    .   1   .   1   30   30   ALA   CA   C   13   53.564    0.014   .   1   .   .   .   .   .   226   ALA   CA   .   18803   1    
     97    .   1   .   1   30   30   ALA   CB   C   13   20.160    0.104   .   1   .   .   .   .   .   226   ALA   CB   .   18803   1    
     98    .   1   .   1   30   30   ALA   N    N   15   124.479   0.139   .   1   .   .   .   .   .   226   ALA   N    .   18803   1    
     99    .   1   .   1   31   31   SER   H    H   1    8.303     0.001   .   1   .   .   .   .   .   227   SER   H    .   18803   1    
     100   .   1   .   1   31   31   SER   CA   C   13   59.252    0.01    .   1   .   .   .   .   .   227   SER   CA   .   18803   1    
     101   .   1   .   1   31   31   SER   CB   C   13   64.650    0.021   .   1   .   .   .   .   .   227   SER   CB   .   18803   1    
     102   .   1   .   1   31   31   SER   N    N   15   114.762   0.032   .   1   .   .   .   .   .   227   SER   N    .   18803   1    
     103   .   1   .   1   32   32   THR   H    H   1    8.057     0.001   .   1   .   .   .   .   .   228   THR   H    .   18803   1    
     104   .   1   .   1   32   32   THR   CA   C   13   62.838    0.05    .   1   .   .   .   .   .   228   THR   CA   .   18803   1    
     105   .   1   .   1   32   32   THR   CB   C   13   70.752    0.006   .   1   .   .   .   .   .   228   THR   CB   .   18803   1    
     106   .   1   .   1   32   32   THR   N    N   15   115.225   0.026   .   1   .   .   .   .   .   228   THR   N    .   18803   1    
     107   .   1   .   1   33   33   TYR   H    H   1    8.105     0.001   .   1   .   .   .   .   .   229   TYR   H    .   18803   1    
     108   .   1   .   1   33   33   TYR   CA   C   13   58.820    0.002   .   1   .   .   .   .   .   229   TYR   CA   .   18803   1    
     109   .   1   .   1   33   33   TYR   CB   C   13   39.773    0.011   .   1   .   .   .   .   .   229   TYR   CB   .   18803   1    
     110   .   1   .   1   33   33   TYR   N    N   15   122.513   0.094   .   1   .   .   .   .   .   229   TYR   N    .   18803   1    
     111   .   1   .   1   34   34   LYS   H    H   1    7.758     0.001   .   1   .   .   .   .   .   230   LYS   H    .   18803   1    
     112   .   1   .   1   34   34   LYS   CA   C   13   58.686    0.02    .   1   .   .   .   .   .   230   LYS   CA   .   18803   1    
     113   .   1   .   1   34   34   LYS   CB   C   13   34.959    0       .   1   .   .   .   .   .   230   LYS   CB   .   18803   1    
     114   .   1   .   1   34   34   LYS   N    N   15   127.858   0.155   .   1   .   .   .   .   .   230   LYS   N    .   18803   1    

   stop_

save_