###################################
     #  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                     17874
   _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_all
   _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'   .   .   .   17874   1    
     2   '2D 1H-13C HMBC'   .   .   .   17874   1    
     3   '2D 1H-13C HSQC'   .   .   .   17874   1    
     4   '2D 1H-1H TOCSY'   .   .   .   17874   1    
     5   '2D 1H-1H COSY'    .   .   .   17874   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   PRO   HA     H   1    4.46     .005   .   1   .   .   .   A   2    PRO   HA     .   17874   1    
     2     .   1   1   2   2   PRO   HB2    H   1    2.31     .005   .   2   .   .   .   A   2    PRO   HB2    .   17874   1    
     3     .   1   1   2   2   PRO   HB3    H   1    1.93     .005   .   2   .   .   .   A   2    PRO   HB3    .   17874   1    
     4     .   1   1   2   2   PRO   HG2    H   1    1.98     .005   .   2   .   .   .   A   2    PRO   HG2    .   17874   1    
     5     .   1   1   2   2   PRO   HG3    H   1    1.98     .005   .   2   .   .   .   A   2    PRO   HG3    .   17874   1    
     6     .   1   1   2   2   PRO   HD2    H   1    3.65     .005   .   2   .   .   .   A   2    PRO   HD2    .   17874   1    
     7     .   1   1   2   2   PRO   HD3    H   1    3.65     .005   .   2   .   .   .   A   2    PRO   HD3    .   17874   1    
     8     .   1   1   2   2   PRO   C      C   13   177.60   .005   .   1   .   .   .   A   2    PRO   C      .   17874   1    
     9     .   1   1   2   2   PRO   CA     C   13   62.83    .005   .   1   .   .   .   A   2    PRO   CA     .   17874   1    
     10    .   1   1   2   2   PRO   CB     C   13   32.75    .005   .   1   .   .   .   A   2    PRO   CB     .   17874   1    
     11    .   1   1   2   2   PRO   CG     C   13   27.10    .005   .   1   .   .   .   A   2    PRO   CG     .   17874   1    
     12    .   1   1   2   2   PRO   CD     C   13   51.45    .005   .   1   .   .   .   A   2    PRO   CD     .   17874   1    
     13    .   1   1   3   3   THR   H      H   1    8.36     .005   .   1   .   .   .   A   3    THR   H      .   17874   1    
     14    .   1   1   3   3   THR   HA     H   1    4.51     .005   .   1   .   .   .   A   3    THR   HA     .   17874   1    
     15    .   1   1   3   3   THR   HB     H   1    4.24     .005   .   1   .   .   .   A   3    THR   HB     .   17874   1    
     16    .   1   1   3   3   THR   HG21   H   1    1.24     .005   .   1   .   .   .   A   3    THR   HG21   .   17874   1    
     17    .   1   1   3   3   THR   HG22   H   1    1.24     .005   .   1   .   .   .   A   3    THR   HG22   .   17874   1    
     18    .   1   1   3   3   THR   HG23   H   1    1.24     .005   .   1   .   .   .   A   3    THR   HG23   .   17874   1    
     19    .   1   1   3   3   THR   C      C   13   174.89   .005   .   1   .   .   .   A   3    THR   C      .   17874   1    
     20    .   1   1   3   3   THR   CA     C   13   61.75    .005   .   1   .   .   .   A   3    THR   CA     .   17874   1    
     21    .   1   1   3   3   THR   CB     C   13   70.05    .005   .   1   .   .   .   A   3    THR   CB     .   17874   1    
     22    .   1   1   3   3   THR   CG2    C   13   21.58    .005   .   1   .   .   .   A   3    THR   CG2    .   17874   1    
     23    .   1   1   3   3   THR   N      N   15   114.89   .005   .   1   .   .   .   A   3    THR   N      .   17874   1    
     24    .   1   1   4   4   THR   H      H   1    8.62     .005   .   1   .   .   .   A   4    THR   H      .   17874   1    
     25    .   1   1   4   4   THR   HA     H   1    4.64     .005   .   1   .   .   .   A   4    THR   HA     .   17874   1    
     26    .   1   1   4   4   THR   HB     H   1    4.33     .005   .   1   .   .   .   A   4    THR   HB     .   17874   1    
     27    .   1   1   4   4   THR   HG21   H   1    1.23     .005   .   1   .   .   .   A   4    THR   HG21   .   17874   1    
     28    .   1   1   4   4   THR   HG22   H   1    1.23     .005   .   1   .   .   .   A   4    THR   HG22   .   17874   1    
     29    .   1   1   4   4   THR   HG23   H   1    1.23     .005   .   1   .   .   .   A   4    THR   HG23   .   17874   1    
     30    .   1   1   4   4   THR   C      C   13   173.67   .005   .   1   .   .   .   A   4    THR   C      .   17874   1    
     31    .   1   1   4   4   THR   CA     C   13   59.76    .005   .   1   .   .   .   A   4    THR   CA     .   17874   1    
     32    .   1   1   4   4   THR   CB     C   13   78.31    .005   .   1   .   .   .   A   4    THR   CB     .   17874   1    
     33    .   1   1   4   4   THR   CG2    C   13   20.98    .005   .   1   .   .   .   A   4    THR   CG2    .   17874   1    
     34    .   1   1   4   4   THR   N      N   15   115.50   .005   .   1   .   .   .   A   4    THR   N      .   17874   1    
     35    .   1   1   5   5   THR   H      H   1    8.31     .005   .   1   .   .   .   A   5    THR   H      .   17874   1    
     36    .   1   1   5   5   THR   HA     H   1    4.55     .005   .   1   .   .   .   A   5    THR   HA     .   17874   1    
     37    .   1   1   5   5   THR   HB     H   1    4.14     .005   .   1   .   .   .   A   5    THR   HB     .   17874   1    
     38    .   1   1   5   5   THR   HG21   H   1    1.25     .005   .   1   .   .   .   A   5    THR   HG21   .   17874   1    
     39    .   1   1   5   5   THR   HG22   H   1    1.25     .005   .   1   .   .   .   A   5    THR   HG22   .   17874   1    
     40    .   1   1   5   5   THR   HG23   H   1    1.25     .005   .   1   .   .   .   A   5    THR   HG23   .   17874   1    
     41    .   1   1   5   5   THR   C      C   13   172.39   .005   .   1   .   .   .   A   5    THR   C      .   17874   1    
     42    .   1   1   5   5   THR   CA     C   13   59.78    .005   .   1   .   .   .   A   5    THR   CA     .   17874   1    
     43    .   1   1   5   5   THR   CB     C   13   69.71    .005   .   1   .   .   .   A   5    THR   CB     .   17874   1    
     44    .   1   1   5   5   THR   CG2    C   13   21.54    .005   .   1   .   .   .   A   5    THR   CG2    .   17874   1    
     45    .   1   1   5   5   THR   N      N   15   116.72   .005   .   1   .   .   .   A   5    THR   N      .   17874   1    
     46    .   1   1   6   6   PRO   HA     H   1    4.37     .005   .   1   .   .   .   A   6    PRO   HA     .   17874   1    
     47    .   1   1   6   6   PRO   HB2    H   1    2.30     .005   .   2   .   .   .   A   6    PRO   HB2    .   17874   1    
     48    .   1   1   6   6   PRO   HB3    H   1    1.88     .005   .   2   .   .   .   A   6    PRO   HB3    .   17874   1    
     49    .   1   1   6   6   PRO   HG2    H   1    2.03     .005   .   2   .   .   .   A   6    PRO   HG2    .   17874   1    
     50    .   1   1   6   6   PRO   HG3    H   1    2.00     .005   .   2   .   .   .   A   6    PRO   HG3    .   17874   1    
     51    .   1   1   6   6   PRO   HD2    H   1    3.76     .005   .   2   .   .   .   A   6    PRO   HD2    .   17874   1    
     52    .   1   1   6   6   PRO   HD3    H   1    3.73     .005   .   2   .   .   .   A   6    PRO   HD3    .   17874   1    
     53    .   1   1   6   6   PRO   C      C   13   176.95   .005   .   1   .   .   .   A   6    PRO   C      .   17874   1    
     54    .   1   1   6   6   PRO   CA     C   13   63.04    .005   .   1   .   .   .   A   6    PRO   CA     .   17874   1    
     55    .   1   1   6   6   PRO   CB     C   13   32.12    .005   .   1   .   .   .   A   6    PRO   CB     .   17874   1    
     56    .   1   1   6   6   PRO   CG     C   13   27.49    .005   .   1   .   .   .   A   6    PRO   CG     .   17874   1    
     57    .   1   1   6   6   PRO   CD     C   13   50.98    .005   .   1   .   .   .   A   6    PRO   CD     .   17874   1    
     58    .   1   1   7   7   LEU   H      H   1    8.41     .005   .   1   .   .   .   A   7    LEU   H      .   17874   1    
     59    .   1   1   7   7   LEU   HA     H   1    4.26     .005   .   1   .   .   .   A   7    LEU   HA     .   17874   1    
     60    .   1   1   7   7   LEU   HB2    H   1    1.64     .005   .   2   .   .   .   A   7    LEU   HB2    .   17874   1    
     61    .   1   1   7   7   LEU   HB3    H   1    1.57     .005   .   2   .   .   .   A   7    LEU   HB3    .   17874   1    
     62    .   1   1   7   7   LEU   HG     H   1    1.66     .005   .   1   .   .   .   A   7    LEU   HG     .   17874   1    
     63    .   1   1   7   7   LEU   HD11   H   1    0.93     .005   .   2   .   .   .   A   7    LEU   HD11   .   17874   1    
     64    .   1   1   7   7   LEU   HD12   H   1    0.93     .005   .   2   .   .   .   A   7    LEU   HD12   .   17874   1    
     65    .   1   1   7   7   LEU   HD13   H   1    0.93     .005   .   2   .   .   .   A   7    LEU   HD13   .   17874   1    
     66    .   1   1   7   7   LEU   HD21   H   1    0.89     .005   .   2   .   .   .   A   7    LEU   HD21   .   17874   1    
     67    .   1   1   7   7   LEU   HD22   H   1    0.89     .005   .   2   .   .   .   A   7    LEU   HD22   .   17874   1    
     68    .   1   1   7   7   LEU   HD23   H   1    0.89     .005   .   2   .   .   .   A   7    LEU   HD23   .   17874   1    
     69    .   1   1   7   7   LEU   C      C   13   177.57   .005   .   1   .   .   .   A   7    LEU   C      .   17874   1    
     70    .   1   1   7   7   LEU   CA     C   13   55.51    .005   .   1   .   .   .   A   7    LEU   CA     .   17874   1    
     71    .   1   1   7   7   LEU   CB     C   13   42.32    .005   .   1   .   .   .   A   7    LEU   CB     .   17874   1    
     72    .   1   1   7   7   LEU   CG     C   13   27.02    .005   .   1   .   .   .   A   7    LEU   CG     .   17874   1    
     73    .   1   1   7   7   LEU   CD1    C   13   24.82    .005   .   2   .   .   .   A   7    LEU   CD1    .   17874   1    
     74    .   1   1   7   7   LEU   CD2    C   13   23.69    .005   .   2   .   .   .   A   7    LEU   CD2    .   17874   1    
     75    .   1   1   7   7   LEU   N      N   15   123.25   .005   .   1   .   .   .   A   7    LEU   N      .   17874   1    
     76    .   1   1   8   8   LYS   H      H   1    8.35     .005   .   1   .   .   .   A   8    LYS   H      .   17874   1    
     77    .   1   1   8   8   LYS   HA     H   1    4.28     .005   .   1   .   .   .   A   8    LYS   HA     .   17874   1    
     78    .   1   1   8   8   LYS   HB2    H   1    1.82     .005   .   2   .   .   .   A   8    LYS   HB2    .   17874   1    
     79    .   1   1   8   8   LYS   HB3    H   1    1.75     .005   .   2   .   .   .   A   8    LYS   HB3    .   17874   1    
     80    .   1   1   8   8   LYS   HG2    H   1    1.44     .005   .   2   .   .   .   A   8    LYS   HG2    .   17874   1    
     81    .   1   1   8   8   LYS   HG3    H   1    1.40     .005   .   2   .   .   .   A   8    LYS   HG3    .   17874   1    
     82    .   1   1   8   8   LYS   HD2    H   1    1.67     .005   .   2   .   .   .   A   8    LYS   HD2    .   17874   1    
     83    .   1   1   8   8   LYS   HD3    H   1    1.67     .005   .   2   .   .   .   A   8    LYS   HD3    .   17874   1    
     84    .   1   1   8   8   LYS   HE2    H   1    2.98     .005   .   2   .   .   .   A   8    LYS   HE2    .   17874   1    
     85    .   1   1   8   8   LYS   HE3    H   1    2.98     .005   .   2   .   .   .   A   8    LYS   HE3    .   17874   1    
     86    .   1   1   8   8   LYS   C      C   13   179.10   .005   .   1   .   .   .   A   8    LYS   C      .   17874   1    
     87    .   1   1   8   8   LYS   CA     C   13   55.96    .005   .   1   .   .   .   A   8    LYS   CA     .   17874   1    
     88    .   1   1   8   8   LYS   CB     C   13   33.14    .005   .   1   .   .   .   A   8    LYS   CB     .   17874   1    
     89    .   1   1   8   8   LYS   CG     C   13   24.75    .005   .   1   .   .   .   A   8    LYS   CG     .   17874   1    
     90    .   1   1   8   8   LYS   CD     C   13   29.09    .005   .   1   .   .   .   A   8    LYS   CD     .   17874   1    
     91    .   1   1   8   8   LYS   CE     C   13   42.17    .005   .   1   .   .   .   A   8    LYS   CE     .   17874   1    
     92    .   1   1   8   8   LYS   N      N   15   122.86   .005   .   1   .   .   .   A   8    LYS   N      .   17874   1    
     93    .   2   2   1   1   A2G   C1     C   13   101.21   .005   .   1   .   .   .   B   10   A2G   C1     .   17874   1    
     94    .   2   2   1   1   A2G   C2     C   13   52.53    .005   .   1   .   .   .   B   10   A2G   C2     .   17874   1    
     95    .   2   2   1   1   A2G   C3     C   13   70.91    .005   .   1   .   .   .   B   10   A2G   C3     .   17874   1    
     96    .   2   2   1   1   A2G   C4     C   13   71.41    .005   .   1   .   .   .   B   10   A2G   C4     .   17874   1    
     97    .   2   2   1   1   A2G   C5     C   13   74.17    .005   .   1   .   .   .   B   10   A2G   C5     .   17874   1    
     98    .   2   2   1   1   A2G   C6     C   13   64.24    .005   .   1   .   .   .   B   10   A2G   C6     .   17874   1    
     99    .   2   2   1   1   A2G   H1     H   1    4.75     .005   .   1   .   .   .   B   10   A2G   H1     .   17874   1    
     100   .   2   2   1   1   A2G   H2     H   1    4.08     .005   .   1   .   .   .   B   10   A2G   H2     .   17874   1    
     101   .   2   2   1   1   A2G   H3     H   1    3.87     .005   .   1   .   .   .   B   10   A2G   H3     .   17874   1    
     102   .   2   2   1   1   A2G   H4     H   1    3.96     .005   .   1   .   .   .   B   10   A2G   H4     .   17874   1    
     103   .   2   2   1   1   A2G   H5     H   1    3.99     .005   .   1   .   .   .   B   10   A2G   H5     .   17874   1    
     104   .   2   2   1   1   A2G   H6     H   1    3.74     .005   .   2   .   .   .   B   10   A2G   H6     .   17874   1    
     105   .   2   2   1   1   A2G   HN2    H   1    7.84     .005   .   1   .   .   .   B   10   A2G   HN2    .   17874   1    

   stop_

save_