###################################
     #  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                     7388
   _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 NOESY'   .   .   .   7388   1    
     2   '2D TOCSY'   .   .   .   7388   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    GLY   HA2    H   1   3.947   0.020   .   2   .   .   .   .   2    GLY   HA2    .   7388   1    
     2    .   1   1   2    2    GLY   HA3    H   1   3.834   0.020   .   2   .   .   .   .   2    GLY   HA3    .   7388   1    
     3    .   1   1   3    3    ARG   H      H   1   8.201   0.020   .   1   .   .   .   .   3    ARG   H      .   7388   1    
     4    .   1   1   3    3    ARG   HA     H   1   4.367   0.020   .   1   .   .   .   .   3    ARG   HA     .   7388   1    
     5    .   1   1   3    3    ARG   HB2    H   1   1.801   0.020   .   2   .   .   .   .   3    ARG   HB2    .   7388   1    
     6    .   1   1   3    3    ARG   HB3    H   1   1.591   0.020   .   2   .   .   .   .   3    ARG   HB3    .   7388   1    
     7    .   1   1   3    3    ARG   HG2    H   1   1.62    0.020   .   2   .   .   .   .   3    ARG   HG2    .   7388   1    
     8    .   1   1   4    4    VAL   H      H   1   8.137   0.020   .   1   .   .   .   .   4    VAL   H      .   7388   1    
     9    .   1   1   4    4    VAL   HA     H   1   4.154   0.020   .   1   .   .   .   .   4    VAL   HA     .   7388   1    
     10   .   1   1   4    4    VAL   HB     H   1   2.045   0.020   .   1   .   .   .   .   4    VAL   HB     .   7388   1    
     11   .   1   1   4    4    VAL   HG21   H   1   0.843   0.020   .   1   .   .   .   .   4    VAL   HG21   .   7388   1    
     12   .   1   1   4    4    VAL   HG22   H   1   0.843   0.020   .   1   .   .   .   .   4    VAL   HG21   .   7388   1    
     13   .   1   1   4    4    VAL   HG23   H   1   0.843   0.020   .   1   .   .   .   .   4    VAL   HG21   .   7388   1    
     14   .   1   1   5    5    ASP   H      H   1   8.503   0.020   .   1   .   .   .   .   5    ASP   H      .   7388   1    
     15   .   1   1   5    5    ASP   HA     H   1   4.569   0.020   .   1   .   .   .   .   5    ASP   HA     .   7388   1    
     16   .   1   1   5    5    ASP   HB3    H   1   2.583   0.020   .   2   .   .   .   .   5    ASP   HB3    .   7388   1    
     17   .   1   1   6    6    ILE   H      H   1   7.738   0.020   .   1   .   .   .   .   6    ILE   H      .   7388   1    
     18   .   1   1   6    6    ILE   HA     H   1   4.152   0.020   .   1   .   .   .   .   6    ILE   HA     .   7388   1    
     19   .   1   1   6    6    ILE   HB     H   1   1.736   0.020   .   1   .   .   .   .   6    ILE   HB     .   7388   1    
     20   .   1   1   6    6    ILE   HD11   H   1   0.737   0.020   .   1   .   .   .   .   6    ILE   HD11   .   7388   1    
     21   .   1   1   6    6    ILE   HD12   H   1   0.737   0.020   .   1   .   .   .   .   6    ILE   HD11   .   7388   1    
     22   .   1   1   6    6    ILE   HD13   H   1   0.737   0.020   .   1   .   .   .   .   6    ILE   HD11   .   7388   1    
     23   .   1   1   6    6    ILE   HG12   H   1   1.236   0.020   .   2   .   .   .   .   6    ILE   HG12   .   7388   1    
     24   .   1   1   6    6    ILE   HG21   H   1   1.051   0.020   .   1   .   .   .   .   6    ILE   HG21   .   7388   1    
     25   .   1   1   6    6    ILE   HG22   H   1   1.051   0.020   .   1   .   .   .   .   6    ILE   HG22   .   7388   1    
     26   .   1   1   6    6    ILE   HG23   H   1   1.051   0.020   .   1   .   .   .   .   6    ILE   HG22   .   7388   1    
     27   .   1   1   7    7    HIS   H      H   1   8.423   0.020   .   1   .   .   .   .   7    HIS   H      .   7388   1    
     28   .   1   1   7    7    HIS   HA     H   1   4.598   0.020   .   1   .   .   .   .   7    HIS   HA     .   7388   1    
     29   .   1   1   7    7    HIS   HB2    H   1   3.107   0.020   .   2   .   .   .   .   7    HIS   HB2    .   7388   1    
     30   .   1   1   7    7    HIS   HB3    H   1   2.990   0.020   .   2   .   .   .   .   7    HIS   HB3    .   7388   1    
     31   .   1   1   8    8    VAL   H      H   1   7.860   0.020   .   1   .   .   .   .   8    VAL   H      .   7388   1    
     32   .   1   1   8    8    VAL   HA     H   1   4.137   0.020   .   1   .   .   .   .   8    VAL   HA     .   7388   1    
     33   .   1   1   8    8    VAL   HB     H   1   1.899   0.020   .   1   .   .   .   .   8    VAL   HB     .   7388   1    
     34   .   1   1   8    8    VAL   HG21   H   1   0.721   0.020   .   1   .   .   .   .   8    VAL   HG21   .   7388   1    
     35   .   1   1   8    8    VAL   HG22   H   1   0.721   0.020   .   1   .   .   .   .   8    VAL   HG21   .   7388   1    
     36   .   1   1   8    8    VAL   HG23   H   1   0.721   0.020   .   1   .   .   .   .   8    VAL   HG21   .   7388   1    
     37   .   1   1   9    9    TRP   H      H   1   8.174   0.020   .   1   .   .   .   .   9    TRP   H      .   7388   1    
     38   .   1   1   9    9    TRP   HA     H   1   4.558   0.020   .   1   .   .   .   .   9    TRP   HA     .   7388   1    
     39   .   1   1   9    9    TRP   HB2    H   1   2.899   0.020   .   2   .   .   .   .   9    TRP   HB2    .   7388   1    
     40   .   1   1   9    9    TRP   HB3    H   1   2.750   0.020   .   2   .   .   .   .   9    TRP   HB3    .   7388   1    
     41   .   1   1   10   10   ASP   H      H   1   8.238   0.020   .   1   .   .   .   .   10   ASP   H      .   7388   1    
     42   .   1   1   10   10   ASP   HA     H   1   4.382   0.020   .   1   .   .   .   .   10   ASP   HA     .   7388   1    
     43   .   1   1   10   10   ASP   HB2    H   1   2.691   0.020   .   2   .   .   .   .   10   ASP   HB2    .   7388   1    
     44   .   1   1   10   10   ASP   HB3    H   1   2.463   0.020   .   2   .   .   .   .   10   ASP   HB3    .   7388   1    
     45   .   1   1   11   11   GLY   H      H   1   7.884   0.020   .   1   .   .   .   .   11   GLY   H      .   7388   1    
     46   .   1   1   11   11   GLY   HA2    H   1   3.741   0.020   .   2   .   .   .   .   11   GLY   HA2    .   7388   1    
     47   .   1   1   11   11   GLY   HA3    H   1   3.574   0.020   .   2   .   .   .   .   11   GLY   HA3    .   7388   1    
     48   .   1   1   12   12   VAL   H      H   1   7.641   0.020   .   1   .   .   .   .   12   VAL   H      .   7388   1    
     49   .   1   1   12   12   VAL   HA     H   1   4.081   0.020   .   1   .   .   .   .   12   VAL   HA     .   7388   1    
     50   .   1   1   12   12   VAL   HB     H   1   1.976   0.020   .   1   .   .   .   .   12   VAL   HB     .   7388   1    
     51   .   1   1   12   12   VAL   HG21   H   1   0.770   0.020   .   1   .   .   .   .   12   VAL   HG21   .   7388   1    
     52   .   1   1   12   12   VAL   HG22   H   1   0.770   0.020   .   1   .   .   .   .   12   VAL   HG21   .   7388   1    
     53   .   1   1   12   12   VAL   HG23   H   1   0.770   0.020   .   1   .   .   .   .   12   VAL   HG21   .   7388   1    
     54   .   1   1   13   13   TYR   H      H   1   8.227   0.020   .   1   .   .   .   .   13   TYR   H      .   7388   1    
     55   .   1   1   13   13   TYR   HA     H   1   4.572   0.020   .   1   .   .   .   .   13   TYR   HA     .   7388   1    
     56   .   1   1   13   13   TYR   HB2    H   1   3.203   0.020   .   2   .   .   .   .   13   TYR   HB2    .   7388   1    
     57   .   1   1   13   13   TYR   HB3    H   1   3.020   0.020   .   2   .   .   .   .   13   TYR   HB3    .   7388   1    
     58   .   1   1   14   14   ILE   H      H   1   7.956   0.020   .   1   .   .   .   .   14   ILE   H      .   7388   1    
     59   .   1   1   14   14   ILE   HA     H   1   4.149   0.020   .   1   .   .   .   .   14   ILE   HA     .   7388   1    
     60   .   1   1   14   14   ILE   HB     H   1   1.719   0.020   .   1   .   .   .   .   14   ILE   HB     .   7388   1    
     61   .   1   1   14   14   ILE   HD11   H   1   0.789   0.020   .   1   .   .   .   .   14   ILE   HD11   .   7388   1    
     62   .   1   1   14   14   ILE   HD12   H   1   0.789   0.020   .   1   .   .   .   .   14   ILE   HD11   .   7388   1    
     63   .   1   1   14   14   ILE   HD13   H   1   0.789   0.020   .   1   .   .   .   .   14   ILE   HD11   .   7388   1    
     64   .   1   1   14   14   ILE   HG12   H   1   1.388   0.020   .   2   .   .   .   .   14   ILE   HG12   .   7388   1    
     65   .   1   1   14   14   ILE   HG21   H   1   1.081   0.020   .   1   .   .   .   .   14   ILE   HG22   .   7388   1    
     66   .   1   1   14   14   ILE   HG22   H   1   1.081   0.020   .   1   .   .   .   .   14   ILE   HG22   .   7388   1    
     67   .   1   1   14   14   ILE   HG23   H   1   1.081   0.020   .   1   .   .   .   .   14   ILE   HG22   .   7388   1    
     68   .   1   1   15   15   ARG   H      H   1   8.196   0.020   .   1   .   .   .   .   15   ARG   H      .   7388   1    
     69   .   1   1   15   15   ARG   HA     H   1   4.345   0.020   .   1   .   .   .   .   15   ARG   HA     .   7388   1    
     70   .   1   1   15   15   ARG   HB2    H   1   1.798   0.020   .   2   .   .   .   .   15   ARG   HB2    .   7388   1    
     71   .   1   1   15   15   ARG   HB3    H   1   1.612   0.020   .   2   .   .   .   .   15   ARG   HB3    .   7388   1    
     72   .   1   1   15   15   ARG   HG2    H   1   1.62    0.020   .   2   .   .   .   .   15   ARG   HG2    .   7388   1    
     73   .   1   1   16   16   GLY   H      H   1   8.285   0.020   .   1   .   .   .   .   16   GLY   H      .   7388   1    
     74   .   1   1   16   16   GLY   HA2    H   1   3.794   0.020   .   2   .   .   .   .   16   GLY   HA2    .   7388   1    
     75   .   1   1   16   16   GLY   HA3    H   1   3.794   0.020   .   2   .   .   .   .   16   GLY   HA3    .   7388   1    
     76   .   1   1   17   17   ARG   H      H   1   7.889   0.020   .   1   .   .   .   .   17   ARG   H      .   7388   1    
     77   .   1   1   17   17   ARG   HA     H   1   4.149   0.020   .   1   .   .   .   .   17   ARG   HA     .   7388   1    
     78   .   1   1   17   17   ARG   HB2    H   1   1.765   0.020   .   2   .   .   .   .   17   ARG   HB2    .   7388   1    
     79   .   1   1   17   17   ARG   HB3    H   1   1.627   0.020   .   2   .   .   .   .   17   ARG   HB3    .   7388   1    

   stop_

save_