###################################
     #  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_chemical_shift_set_1
   _Assigned_chem_shift_list.Sf_category                  assigned_chemical_shifts
   _Assigned_chem_shift_list.Sf_framecode                 chemical_shift_set_1
   _Assigned_chem_shift_list.Entry_ID                     6898
   _Assigned_chem_shift_list.ID                           1
   _Assigned_chem_shift_list.Sample_condition_list_ID     1
   _Assigned_chem_shift_list.Sample_condition_list_label  $sample_cond_1
   _Assigned_chem_shift_list.Chem_shift_reference_ID      1
   _Assigned_chem_shift_list.Chem_shift_reference_label   $chemical_shift_reference
   _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 TOCSY'   .   .   .   6898   1    
     2   '2D NOESY'   .   .   .   6898   1    
     3   DQF-COSY     .   .   .   6898   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   8.803   .   .   .   .   .   .   .   .   .   .   .   6898   1    
     2     .   1   1   1    1    GLY   HA2    H   1   3.55    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     3     .   1   1   1    1    GLY   HA3    H   1   3.65    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     4     .   1   1   2    2    ALA   H      H   1   8.568   .   .   .   .   .   .   .   .   .   .   .   6898   1    
     5     .   1   1   2    2    ALA   HA     H   1   4.215   .   .   .   .   .   .   .   .   .   .   .   6898   1    
     6     .   1   1   2    2    ALA   HB1    H   1   1.216   .   .   .   .   .   .   .   .   .   .   .   6898   1    
     7     .   1   1   2    2    ALA   HB2    H   1   1.216   .   .   .   .   .   .   .   .   .   .   .   6898   1    
     8     .   1   1   2    2    ALA   HB3    H   1   1.216   .   .   .   .   .   .   .   .   .   .   .   6898   1    
     9     .   1   1   3    3    TYR   H      H   1   8.46    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     10    .   1   1   3    3    TYR   HA     H   1   4.566   .   .   .   .   .   .   .   .   .   .   .   6898   1    
     11    .   1   1   3    3    TYR   HB2    H   1   3.02    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     12    .   1   1   3    3    TYR   HB3    H   1   2.95    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     13    .   1   1   3    3    TYR   HD1    H   1   7.07    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     14    .   1   1   3    3    TYR   HD2    H   1   7.07    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     15    .   1   1   3    3    TYR   HE1    H   1   6.72    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     16    .   1   1   3    3    TYR   HE2    H   1   6.72    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     17    .   1   1   4    4    THR   H      H   1   8.08    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     18    .   1   1   4    4    THR   HA     H   1   4.19    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     19    .   1   1   4    4    THR   HB     H   1   4.12    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     20    .   1   1   4    4    THR   HG21   H   1   1.075   .   .   .   .   .   .   .   .   .   .   .   6898   1    
     21    .   1   1   4    4    THR   HG22   H   1   1.075   .   .   .   .   .   .   .   .   .   .   .   6898   1    
     22    .   1   1   4    4    THR   HG23   H   1   1.075   .   .   .   .   .   .   .   .   .   .   .   6898   1    
     23    .   1   1   5    5    GLY   H      H   1   7.4     .   .   .   .   .   .   .   .   .   .   .   6898   1    
     24    .   1   1   5    5    GLY   HA2    H   1   3.77    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     25    .   1   1   6    6    LEU   H      H   1   8.093   .   .   .   .   .   .   .   .   .   .   .   6898   1    
     26    .   1   1   6    6    LEU   HA     H   1   4.52    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     27    .   1   1   6    6    LEU   HB2    H   1   1.50    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     28    .   1   1   6    6    LEU   HB3    H   1   1.50    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     29    .   1   1   6    6    LEU   HG     H   1   1.47    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     30    .   1   1   6    6    LEU   HD11   H   1   0.86    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     31    .   1   1   6    6    LEU   HD12   H   1   0.86    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     32    .   1   1   6    6    LEU   HD13   H   1   0.86    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     33    .   1   1   6    6    LEU   HD21   H   1   0.835   .   .   .   .   .   .   .   .   .   .   .   6898   1    
     34    .   1   1   6    6    LEU   HD22   H   1   0.835   .   .   .   .   .   .   .   .   .   .   .   6898   1    
     35    .   1   1   6    6    LEU   HD23   H   1   0.835   .   .   .   .   .   .   .   .   .   .   .   6898   1    
     36    .   1   1   7    7    PRO   HA     H   1   4.31    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     37    .   1   1   7    7    PRO   HB2    H   1   2.22    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     38    .   1   1   7    7    PRO   HG2    H   1   1.94    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     39    .   1   1   7    7    PRO   HG3    H   1   1.81    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     40    .   1   1   7    7    PRO   HD2    H   1   3.76    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     41    .   1   1   7    7    PRO   HD3    H   1   3.59    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     42    .   1   1   8    8    ASN   H      H   1   8.456   .   .   .   .   .   .   .   .   .   .   .   6898   1    
     43    .   1   1   8    8    ASN   HA     H   1   4.54    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     44    .   1   1   8    8    ASN   HB2    H   1   2.67    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     45    .   1   1   8    8    ASN   HD21   H   1   7.60    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     46    .   1   1   8    8    ASN   HD22   H   1   6.91    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     47    .   1   1   9    9    LYS   H      H   1   8.18    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     48    .   1   1   9    9    LYS   HA     H   1   4.215   .   .   .   .   .   .   .   .   .   .   .   6898   1    
     49    .   1   1   9    9    LYS   HB2    H   1   1.74    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     50    .   1   1   9    9    LYS   HB3    H   1   1.64    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     51    .   1   1   9    9    LYS   HG2    H   1   1.31    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     52    .   1   1   9    9    LYS   HD2    H   1   1.63    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     53    .   1   1   9    9    LYS   HE2    H   1   3.14    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     54    .   1   1   10   10   LYS   H      H   1   8.35    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     55    .   1   1   10   10   LYS   HA     H   1   4.45    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     56    .   1   1   10   10   LYS   HB2    H   1   1.71    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     57    .   1   1   10   10   LYS   HG2    H   1   1.38    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     58    .   1   1   10   10   LYS   HD2    H   1   1.61    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     59    .   1   1   10   10   LYS   HE2    H   1   3.13    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     60    .   1   1   11   11   PRO   HA     H   1   4.309   .   .   .   .   .   .   .   .   .   .   .   6898   1    
     61    .   1   1   11   11   PRO   HB2    H   1   2.20    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     62    .   1   1   11   11   PRO   HB3    H   1   1.92    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     63    .   1   1   11   11   PRO   HG2    H   1   1.8     .   .   .   .   .   .   .   .   .   .   .   6898   1    
     64    .   1   1   11   11   PRO   HD2    H   1   3.72    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     65    .   1   1   12   12   ASN   H      H   1   8.56    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     66    .   1   1   12   12   ASN   HA     H   1   4.57    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     67    .   1   1   12   12   ASN   HB2    H   1   2.68    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     68    .   1   1   12   12   ASN   HB3    H   1   2.64    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     69    .   1   1   12   12   ASN   HD21   H   1   7.62    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     70    .   1   1   12   12   ASN   HD22   H   1   6.93    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     71    .   1   1   13   13   VAL   H      H   1   8.057   .   .   .   .   .   .   .   .   .   .   .   6898   1    
     72    .   1   1   13   13   VAL   HA     H   1   4.379   .   .   .   .   .   .   .   .   .   .   .   6898   1    
     73    .   1   1   13   13   VAL   HB     H   1   1.99    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     74    .   1   1   13   13   VAL   HG11   H   1   0.887   .   .   .   .   .   .   .   .   .   .   .   6898   1    
     75    .   1   1   13   13   VAL   HG12   H   1   0.887   .   .   .   .   .   .   .   .   .   .   .   6898   1    
     76    .   1   1   13   13   VAL   HG13   H   1   0.887   .   .   .   .   .   .   .   .   .   .   .   6898   1    
     77    .   1   1   13   13   VAL   HG21   H   1   0.84    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     78    .   1   1   13   13   VAL   HG22   H   1   0.84    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     79    .   1   1   13   13   VAL   HG23   H   1   0.84    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     80    .   1   1   14   14   PRO   HA     H   1   4.379   .   .   .   .   .   .   .   .   .   .   .   6898   1    
     81    .   1   1   14   14   PRO   HB2    H   1   2.22    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     82    .   1   1   14   14   PRO   HB3    H   1   1.92    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     83    .   1   1   14   14   PRO   HG2    H   1   1.80    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     84    .   1   1   14   14   PRO   HD2    H   1   3.61    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     85    .   1   1   14   14   PRO   HD3    H   1   3.77    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     86    .   1   1   15   15   THR   H      H   1   8.28    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     87    .   1   1   15   15   THR   HA     H   1   4.18    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     88    .   1   1   15   15   THR   HB     H   1   4.045   .   .   .   .   .   .   .   .   .   .   .   6898   1    
     89    .   1   1   15   15   THR   HG21   H   1   1.122   .   .   .   .   .   .   .   .   .   .   .   6898   1    
     90    .   1   1   15   15   THR   HG22   H   1   1.122   .   .   .   .   .   .   .   .   .   .   .   6898   1    
     91    .   1   1   15   15   THR   HG23   H   1   1.122   .   .   .   .   .   .   .   .   .   .   .   6898   1    
     92    .   1   1   16   16   ILE   H      H   1   8.20    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     93    .   1   1   16   16   ILE   HA     H   1   4.10    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     94    .   1   1   16   16   ILE   HB     H   1   1.77    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     95    .   1   1   16   16   ILE   HG12   H   1   1.39    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     96    .   1   1   16   16   ILE   HG21   H   1   0.817   .   .   .   .   .   .   .   .   .   .   .   6898   1    
     97    .   1   1   16   16   ILE   HG22   H   1   0.817   .   .   .   .   .   .   .   .   .   .   .   6898   1    
     98    .   1   1   16   16   ILE   HG23   H   1   0.817   .   .   .   .   .   .   .   .   .   .   .   6898   1    
     99    .   1   1   16   16   ILE   HD11   H   1   0.806   .   .   .   .   .   .   .   .   .   .   .   6898   1    
     100   .   1   1   16   16   ILE   HD12   H   1   0.806   .   .   .   .   .   .   .   .   .   .   .   6898   1    
     101   .   1   1   16   16   ILE   HD13   H   1   0.806   .   .   .   .   .   .   .   .   .   .   .   6898   1    
     102   .   1   1   17   17   ARG   H      H   1   8.50    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     103   .   1   1   17   17   ARG   HA     H   1   4.33    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     104   .   1   1   17   17   ARG   HB2    H   1   1.78    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     105   .   1   1   17   17   ARG   HB3    H   1   1.68    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     106   .   1   1   17   17   ARG   HG2    H   1   1.57    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     107   .   1   1   17   17   ARG   HG3    H   1   1.52    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     108   .   1   1   17   17   ARG   HD2    H   1   3.11    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     109   .   1   1   17   17   ARG   HE     H   1   7.16    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     110   .   1   1   17   17   ARG   HH11   H   1   6.700   .   .   .   .   .   .   .   .   .   .   .   6898   1    
     111   .   1   1   18   18   THR   H      H   1   8.134   .   .   .   .   .   .   .   .   .   .   .   6898   1    
     112   .   1   1   18   18   THR   HA     H   1   4.215   .   .   .   .   .   .   .   .   .   .   .   6898   1    
     113   .   1   1   18   18   THR   HB     H   1   4.10    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     114   .   1   1   18   18   THR   HG21   H   1   1.12    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     115   .   1   1   18   18   THR   HG22   H   1   1.12    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     116   .   1   1   18   18   THR   HG23   H   1   1.12    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     117   .   1   1   19   19   ALA   H      H   1   8.30    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     118   .   1   1   19   19   ALA   HA     H   1   4.238   .   .   .   .   .   .   .   .   .   .   .   6898   1    
     119   .   1   1   19   19   ALA   HB1    H   1   1.286   .   .   .   .   .   .   .   .   .   .   .   6898   1    
     120   .   1   1   19   19   ALA   HB2    H   1   1.286   .   .   .   .   .   .   .   .   .   .   .   6898   1    
     121   .   1   1   19   19   ALA   HB3    H   1   1.286   .   .   .   .   .   .   .   .   .   .   .   6898   1    
     122   .   1   1   20   20   LYS   H      H   1   8.298   .   .   .   .   .   .   .   .   .   .   .   6898   1    
     123   .   1   1   20   20   LYS   HA     H   1   4.215   .   .   .   .   .   .   .   .   .   .   .   6898   1    
     124   .   1   1   20   20   LYS   HB2    H   1   1.71    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     125   .   1   1   20   20   LYS   HB3    H   1   1.66    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     126   .   1   1   20   20   LYS   HG2    H   1   1.36    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     127   .   1   1   20   20   LYS   HD2    H   1   1.59    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     128   .   1   1   20   20   LYS   HE2    H   1   3.15    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     129   .   1   1   21   21   VAL   H      H   1   8.25    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     130   .   1   1   21   21   VAL   HA     H   1   4.00    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     131   .   1   1   21   21   VAL   HB     H   1   1.99    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     132   .   1   1   21   21   VAL   HG11   H   1   0.864   .   .   .   .   .   .   .   .   .   .   .   6898   1    
     133   .   1   1   21   21   VAL   HG12   H   1   0.864   .   .   .   .   .   .   .   .   .   .   .   6898   1    
     134   .   1   1   21   21   VAL   HG13   H   1   0.864   .   .   .   .   .   .   .   .   .   .   .   6898   1    
     135   .   1   1   22   22   GLN   H      H   1   7.99    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     136   .   1   1   22   22   GLN   HA     H   1   4.07    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     137   .   1   1   22   22   GLN   HB2    H   1   1.99    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     138   .   1   1   22   22   GLN   HB3    H   1   1.85    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     139   .   1   1   22   22   GLN   HG2    H   1   2.20    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     140   .   1   1   22   22   GLN   HE21   H   1   6.84    .   .   .   .   .   .   .   .   .   .   .   6898   1    
     141   .   1   1   22   22   GLN   HE22   H   1   7.05    .   .   .   .   .   .   .   .   .   .   .   6898   1    

   stop_

save_

     ###################################
     #  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_chemical_shift_set_2
   _Assigned_chem_shift_list.Sf_category                  assigned_chemical_shifts
   _Assigned_chem_shift_list.Sf_framecode                 chemical_shift_set_2
   _Assigned_chem_shift_list.Entry_ID                     6898
   _Assigned_chem_shift_list.ID                           2
   _Assigned_chem_shift_list.Sample_condition_list_ID     1
   _Assigned_chem_shift_list.Sample_condition_list_label  $sample_cond_1
   _Assigned_chem_shift_list.Chem_shift_reference_ID      1
   _Assigned_chem_shift_list.Chem_shift_reference_label   $chemical_shift_reference
   _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

     .   .   2   $sample_2   .   6898   2    

   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    ALA   H      H   1   8.386   .   .   .   .   .   .   .   .   .   .   .   6898   2    
     2     .   1   1   2    2    ALA   HA     H   1   4.27    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     3     .   1   1   2    2    ALA   HB1    H   1   1.33    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     4     .   1   1   2    2    ALA   HB2    H   1   1.33    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     5     .   1   1   2    2    ALA   HB3    H   1   1.33    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     6     .   1   1   3    3    TYR   H      H   1   8.57    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     7     .   1   1   3    3    TYR   HA     H   1   4.61    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     8     .   1   1   3    3    TYR   HB2    H   1   3.0     .   .   .   .   .   .   .   .   .   .   .   6898   2    
     9     .   1   1   3    3    TYR   HB3    H   1   2.96    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     10    .   1   1   3    3    TYR   HD1    H   1   7.1     .   .   .   .   .   .   .   .   .   .   .   6898   2    
     11    .   1   1   3    3    TYR   HD2    H   1   7.1     .   .   .   .   .   .   .   .   .   .   .   6898   2    
     12    .   1   1   3    3    TYR   HE1    H   1   6.75    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     13    .   1   1   3    3    TYR   HE2    H   1   6.75    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     14    .   1   1   4    4    THR   H      H   1   8.19    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     15    .   1   1   4    4    THR   HA     H   1   4.23    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     16    .   1   1   4    4    THR   HB     H   1   4.16    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     17    .   1   1   4    4    THR   HG21   H   1   1.10    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     18    .   1   1   4    4    THR   HG22   H   1   1.10    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     19    .   1   1   4    4    THR   HG23   H   1   1.10    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     20    .   1   1   5    5    GLY   H      H   1   7.27    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     21    .   1   1   5    5    GLY   HA2    H   1   3.8     .   .   .   .   .   .   .   .   .   .   .   6898   2    
     22    .   1   1   6    6    LEU   H      H   1   8.20    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     23    .   1   1   6    6    LEU   HA     H   1   4.57    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     24    .   1   1   6    6    LEU   HB2    H   1   1.57    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     25    .   1   1   6    6    LEU   HB3    H   1   1.55    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     26    .   1   1   6    6    LEU   HG     H   1   1.52    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     27    .   1   1   6    6    LEU   HD11   H   1   0.9     .   .   .   .   .   .   .   .   .   .   .   6898   2    
     28    .   1   1   6    6    LEU   HD12   H   1   0.9     .   .   .   .   .   .   .   .   .   .   .   6898   2    
     29    .   1   1   6    6    LEU   HD13   H   1   0.9     .   .   .   .   .   .   .   .   .   .   .   6898   2    
     30    .   1   1   6    6    LEU   HD21   H   1   0.88    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     31    .   1   1   6    6    LEU   HD22   H   1   0.88    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     32    .   1   1   6    6    LEU   HD23   H   1   0.88    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     33    .   1   1   7    7    PRO   HA     H   1   4.362   .   .   .   .   .   .   .   .   .   .   .   6898   2    
     34    .   1   1   7    7    PRO   HB2    H   1   2.32    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     35    .   1   1   7    7    PRO   HG2    H   1   1.97    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     36    .   1   1   7    7    PRO   HG3    H   1   1.84    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     37    .   1   1   7    7    PRO   HD2    H   1   3.81    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     38    .   1   1   7    7    PRO   HD3    H   1   3.61    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     39    .   1   1   8    8    ASN   H      H   1   8.55    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     40    .   1   1   8    8    ASN   HA     H   1   4.59    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     41    .   1   1   8    8    ASN   HB2    H   1   2.72    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     42    .   1   1   8    8    ASN   HD21   H   1   7.64    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     43    .   1   1   8    8    ASN   HD22   H   1   6.94    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     44    .   1   1   9    9    LYS   H      H   1   8.29    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     45    .   1   1   9    9    LYS   HA     H   1   4.26    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     46    .   1   1   9    9    LYS   HB2    H   1   1.77    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     47    .   1   1   9    9    LYS   HB3    H   1   1.67    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     48    .   1   1   9    9    LYS   HG2    H   1   1.35    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     49    .   1   1   9    9    LYS   HD2    H   1   1.63    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     50    .   1   1   9    9    LYS   HE2    H   1   2.93    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     51    .   1   1   10   10   LYS   H      H   1   8.43    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     52    .   1   1   10   10   LYS   HA     H   1   4.50    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     53    .   1   1   10   10   LYS   HB2    H   1   1.77    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     54    .   1   1   10   10   LYS   HG2    H   1   1.40    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     55    .   1   1   10   10   LYS   HD2    H   1   1.65    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     56    .   1   1   10   10   LYS   HE2    H   1   2.95    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     57    .   1   1   11   11   PRO   HA     H   1   4.35    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     58    .   1   1   11   11   PRO   HB2    H   1   2.23    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     59    .   1   1   11   11   PRO   HB3    H   1   1.96    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     60    .   1   1   11   11   PRO   HG2    H   1   1.83    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     61    .   1   1   11   11   PRO   HD2    H   1   3.77    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     62    .   1   1   11   11   PRO   HD3    H   1   3.59    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     63    .   1   1   12   12   ASN   H      H   1   8.65    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     64    .   1   1   12   12   ASN   HA     H   1   4.6     .   .   .   .   .   .   .   .   .   .   .   6898   2    
     65    .   1   1   12   12   ASN   HB2    H   1   2.71    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     66    .   1   1   12   12   ASN   HB3    H   1   2.67    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     67    .   1   1   12   12   ASN   HD21   H   1   7.66    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     68    .   1   1   12   12   ASN   HD22   H   1   6.96    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     69    .   1   1   13   13   VAL   H      H   1   8.19    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     70    .   1   1   13   13   VAL   HA     H   1   4.41    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     71    .   1   1   13   13   VAL   HB     H   1   2.03    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     72    .   1   1   13   13   VAL   HG11   H   1   0.92    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     73    .   1   1   13   13   VAL   HG12   H   1   0.92    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     74    .   1   1   13   13   VAL   HG13   H   1   0.92    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     75    .   1   1   13   13   VAL   HG21   H   1   0.87    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     76    .   1   1   13   13   VAL   HG22   H   1   0.87    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     77    .   1   1   13   13   VAL   HG23   H   1   0.87    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     78    .   1   1   14   14   PRO   HA     H   1   4.42    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     79    .   1   1   14   14   PRO   HB2    H   1   2.25    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     80    .   1   1   14   14   PRO   HB3    H   1   1.98    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     81    .   1   1   14   14   PRO   HG2    H   1   1.83    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     82    .   1   1   14   14   PRO   HG3    H   1   1.94    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     83    .   1   1   14   14   PRO   HD2    H   1   3.81    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     84    .   1   1   14   14   PRO   HD3    H   1   3.66    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     85    .   1   1   15   15   THR   H      H   1   8.395   .   .   .   .   .   .   .   .   .   .   .   6898   2    
     86    .   1   1   15   15   THR   HA     H   1   4.21    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     87    .   1   1   15   15   THR   HB     H   1   4.07    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     88    .   1   1   15   15   THR   HG21   H   1   1.17    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     89    .   1   1   15   15   THR   HG22   H   1   1.17    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     90    .   1   1   15   15   THR   HG23   H   1   1.17    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     91    .   1   1   16   16   ILE   H      H   1   8.31    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     92    .   1   1   16   16   ILE   HA     H   1   4.13    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     93    .   1   1   16   16   ILE   HB     H   1   1.79    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     94    .   1   1   16   16   ILE   HG12   H   1   1.42    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     95    .   1   1   16   16   ILE   HG13   H   1   1.12    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     96    .   1   1   16   16   ILE   HG21   H   1   0.84    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     97    .   1   1   16   16   ILE   HG22   H   1   0.84    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     98    .   1   1   16   16   ILE   HG23   H   1   0.84    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     99    .   1   1   16   16   ILE   HD11   H   1   0.80    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     100   .   1   1   16   16   ILE   HD12   H   1   0.80    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     101   .   1   1   16   16   ILE   HD13   H   1   0.80    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     102   .   1   1   17   17   ARG   H      H   1   8.59    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     103   .   1   1   17   17   ARG   HA     H   1   4.38    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     104   .   1   1   17   17   ARG   HB2    H   1   1.80    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     105   .   1   1   17   17   ARG   HB3    H   1   1.71    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     106   .   1   1   17   17   ARG   HG2    H   1   1.61    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     107   .   1   1   17   17   ARG   HG3    H   1   1.55    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     108   .   1   1   17   17   ARG   HD2    H   1   3.15    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     109   .   1   1   18   18   THR   H      H   1   8.25    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     110   .   1   1   18   18   THR   HA     H   1   4.25    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     111   .   1   1   18   18   THR   HB     H   1   4.14    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     112   .   1   1   18   18   THR   HG21   H   1   1.16    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     113   .   1   1   18   18   THR   HG22   H   1   1.16    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     114   .   1   1   18   18   THR   HG23   H   1   1.16    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     115   .   1   1   19   19   ALA   H      H   1   8.609   .   .   .   .   .   .   .   .   .   .   .   6898   2    
     116   .   1   1   19   19   ALA   HA     H   1   4.256   .   .   .   .   .   .   .   .   .   .   .   6898   2    
     117   .   1   1   19   19   ALA   HB1    H   1   1.27    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     118   .   1   1   19   19   ALA   HB2    H   1   1.27    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     119   .   1   1   19   19   ALA   HB3    H   1   1.27    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     120   .   1   1   20   20   LYS   H      H   1   8.384   .   .   .   .   .   .   .   .   .   .   .   6898   2    
     121   .   1   1   20   20   LYS   HA     H   1   4.25    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     122   .   1   1   20   20   LYS   HB2    H   1   1.75    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     123   .   1   1   20   20   LYS   HG2    H   1   1.36    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     124   .   1   1   20   20   LYS   HD2    H   1   1.71    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     125   .   1   1   20   20   LYS   HE2    H   1   2.93    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     126   .   1   1   21   21   VAL   H      H   1   8.34    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     127   .   1   1   21   21   VAL   HA     H   1   4.05    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     128   .   1   1   21   21   VAL   HB     H   1   2.02    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     129   .   1   1   21   21   VAL   HG11   H   1   0.9     .   .   .   .   .   .   .   .   .   .   .   6898   2    
     130   .   1   1   21   21   VAL   HG12   H   1   0.9     .   .   .   .   .   .   .   .   .   .   .   6898   2    
     131   .   1   1   21   21   VAL   HG13   H   1   0.9     .   .   .   .   .   .   .   .   .   .   .   6898   2    
     132   .   1   1   22   22   GLN   H      H   1   8.10    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     133   .   1   1   22   22   GLN   HA     H   1   4.11    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     134   .   1   1   22   22   GLN   HB2    H   1   2.03    .   .   .   .   .   .   .   .   .   .   .   6898   2    
     135   .   1   1   22   22   GLN   HG2    H   1   2.24    .   .   .   .   .   .   .   .   .   .   .   6898   2    

   stop_

save_