###################################
     #  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_chemical_shifts_1
   _Assigned_chem_shift_list.Sf_category                  assigned_chemical_shifts
   _Assigned_chem_shift_list.Sf_framecode                 assigned_chemical_shifts_1
   _Assigned_chem_shift_list.Entry_ID                     31119
   _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   $chem_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   1D           .   .   .   31119   1    
     2   '2D COSY'    .   .   .   31119   1    
     3   '2D TOCSY'   .   .   .   31119   1    
     4   '2D NOESY'   .   .   .   31119   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   1    1    ACE   H1     H   1   2.01   .   .   1   .   .   .   .   A   775   ACE   H1     .   31119   1    
     2    .   1   .   1   2    2    LEU   H      H   1   8.00   .   .   1   .   .   .   .   A   776   LEU   H      .   31119   1    
     3    .   1   .   1   2    2    LEU   HA     H   1   4.16   .   .   1   .   .   .   .   A   776   LEU   HA     .   31119   1    
     4    .   1   .   1   2    2    LEU   HB2    H   1   1.55   .   .   .   .   .   .   .   A   776   LEU   HB2    .   31119   1    
     5    .   1   .   1   2    2    LEU   HB3    H   1   1.55   .   .   .   .   .   .   .   A   776   LEU   HB3    .   31119   1    
     6    .   1   .   1   2    2    LEU   HG     H   1   1.55   .   .   1   .   .   .   .   A   776   LEU   HG     .   31119   1    
     7    .   1   .   1   2    2    LEU   HD11   H   1   0.86   .   .   .   .   .   .   .   A   776   LEU   HD11   .   31119   1    
     8    .   1   .   1   2    2    LEU   HD12   H   1   0.86   .   .   .   .   .   .   .   A   776   LEU   HD12   .   31119   1    
     9    .   1   .   1   2    2    LEU   HD13   H   1   0.86   .   .   .   .   .   .   .   A   776   LEU   HD13   .   31119   1    
     10   .   1   .   1   2    2    LEU   HD21   H   1   0.86   .   .   .   .   .   .   .   A   776   LEU   HD21   .   31119   1    
     11   .   1   .   1   2    2    LEU   HD22   H   1   0.86   .   .   .   .   .   .   .   A   776   LEU   HD22   .   31119   1    
     12   .   1   .   1   2    2    LEU   HD23   H   1   0.86   .   .   .   .   .   .   .   A   776   LEU   HD23   .   31119   1    
     13   .   1   .   1   3    3    ASP   H      H   1   8.07   .   .   1   .   .   .   .   A   777   ASP   H      .   31119   1    
     14   .   1   .   1   3    3    ASP   HA     H   1   4.51   .   .   1   .   .   .   .   A   777   ASP   HA     .   31119   1    
     15   .   1   .   1   3    3    ASP   HB2    H   1   2.86   .   .   .   .   .   .   .   A   777   ASP   HB2    .   31119   1    
     16   .   1   .   1   3    3    ASP   HB3    H   1   2.86   .   .   .   .   .   .   .   A   777   ASP   HB3    .   31119   1    
     17   .   1   .   1   4    4    ALA   H      H   1   8.05   .   .   1   .   .   .   .   A   778   ALA   H      .   31119   1    
     18   .   1   .   1   4    4    ALA   HA     H   1   4.00   .   .   1   .   .   .   .   A   778   ALA   HA     .   31119   1    
     19   .   1   .   1   4    4    ALA   HB1    H   1   1.42   .   .   1   .   .   .   .   A   778   ALA   HB1    .   31119   1    
     20   .   1   .   1   4    4    ALA   HB2    H   1   1.42   .   .   1   .   .   .   .   A   778   ALA   HB2    .   31119   1    
     21   .   1   .   1   4    4    ALA   HB3    H   1   1.42   .   .   1   .   .   .   .   A   778   ALA   HB3    .   31119   1    
     22   .   1   .   1   5    5    ALA   H      H   1   7.94   .   .   1   .   .   .   .   A   779   ALA   H      .   31119   1    
     23   .   1   .   1   5    5    ALA   HA     H   1   4.10   .   .   1   .   .   .   .   A   779   ALA   HA     .   31119   1    
     24   .   1   .   1   5    5    ALA   HB1    H   1   1.43   .   .   1   .   .   .   .   A   779   ALA   HB1    .   31119   1    
     25   .   1   .   1   5    5    ALA   HB2    H   1   1.43   .   .   1   .   .   .   .   A   779   ALA   HB2    .   31119   1    
     26   .   1   .   1   5    5    ALA   HB3    H   1   1.43   .   .   1   .   .   .   .   A   779   ALA   HB3    .   31119   1    
     27   .   1   .   1   6    6    LEU   H      H   1   7.78   .   .   1   .   .   .   .   A   780   LEU   H      .   31119   1    
     28   .   1   .   1   6    6    LEU   HA     H   1   4.10   .   .   1   .   .   .   .   A   780   LEU   HA     .   31119   1    
     29   .   1   .   1   6    6    LEU   HB2    H   1   1.73   .   .   .   .   .   .   .   A   780   LEU   HB2    .   31119   1    
     30   .   1   .   1   6    6    LEU   HB3    H   1   1.73   .   .   .   .   .   .   .   A   780   LEU   HB3    .   31119   1    
     31   .   1   .   1   6    6    LEU   HG     H   1   1.58   .   .   1   .   .   .   .   A   780   LEU   HG     .   31119   1    
     32   .   1   .   1   6    6    LEU   HD11   H   1   0.88   .   .   .   .   .   .   .   A   780   LEU   HD11   .   31119   1    
     33   .   1   .   1   6    6    LEU   HD12   H   1   0.88   .   .   .   .   .   .   .   A   780   LEU   HD12   .   31119   1    
     34   .   1   .   1   6    6    LEU   HD13   H   1   0.88   .   .   .   .   .   .   .   A   780   LEU   HD13   .   31119   1    
     35   .   1   .   1   6    6    LEU   HD21   H   1   0.88   .   .   .   .   .   .   .   A   780   LEU   HD21   .   31119   1    
     36   .   1   .   1   6    6    LEU   HD22   H   1   0.88   .   .   .   .   .   .   .   A   780   LEU   HD22   .   31119   1    
     37   .   1   .   1   6    6    LEU   HD23   H   1   0.88   .   .   .   .   .   .   .   A   780   LEU   HD23   .   31119   1    
     38   .   1   .   1   7    7    LEU   H      H   1   7.75   .   .   1   .   .   .   .   A   781   LEU   H      .   31119   1    
     39   .   1   .   1   7    7    LEU   HA     H   1   4.03   .   .   1   .   .   .   .   A   781   LEU   HA     .   31119   1    
     40   .   1   .   1   7    7    LEU   HB2    H   1   1.69   .   .   .   .   .   .   .   A   781   LEU   HB2    .   31119   1    
     41   .   1   .   1   7    7    LEU   HB3    H   1   1.69   .   .   .   .   .   .   .   A   781   LEU   HB3    .   31119   1    
     42   .   1   .   1   7    7    LEU   HG     H   1   1.53   .   .   1   .   .   .   .   A   781   LEU   HG     .   31119   1    
     43   .   1   .   1   7    7    LEU   HD11   H   1   0.83   .   .   .   .   .   .   .   A   781   LEU   HD11   .   31119   1    
     44   .   1   .   1   7    7    LEU   HD12   H   1   0.83   .   .   .   .   .   .   .   A   781   LEU   HD12   .   31119   1    
     45   .   1   .   1   7    7    LEU   HD13   H   1   0.83   .   .   .   .   .   .   .   A   781   LEU   HD13   .   31119   1    
     46   .   1   .   1   7    7    LEU   HD21   H   1   0.83   .   .   .   .   .   .   .   A   781   LEU   HD21   .   31119   1    
     47   .   1   .   1   7    7    LEU   HD22   H   1   0.83   .   .   .   .   .   .   .   A   781   LEU   HD22   .   31119   1    
     48   .   1   .   1   7    7    LEU   HD23   H   1   0.83   .   .   .   .   .   .   .   A   781   LEU   HD23   .   31119   1    
     49   .   1   .   1   8    8    ALA   H      H   1   7.83   .   .   1   .   .   .   .   A   782   ALA   H      .   31119   1    
     50   .   1   .   1   8    8    ALA   HA     H   1   4.03   .   .   1   .   .   .   .   A   782   ALA   HA     .   31119   1    
     51   .   1   .   1   8    8    ALA   HB1    H   1   1.43   .   .   1   .   .   .   .   A   782   ALA   HB1    .   31119   1    
     52   .   1   .   1   8    8    ALA   HB2    H   1   1.43   .   .   1   .   .   .   .   A   782   ALA   HB2    .   31119   1    
     53   .   1   .   1   8    8    ALA   HB3    H   1   1.43   .   .   1   .   .   .   .   A   782   ALA   HB3    .   31119   1    
     54   .   1   .   1   9    9    ALA   H      H   1   7.77   .   .   1   .   .   .   .   A   783   ALA   H      .   31119   1    
     55   .   1   .   1   9    9    ALA   HA     H   1   4.05   .   .   1   .   .   .   .   A   783   ALA   HA     .   31119   1    
     56   .   1   .   1   9    9    ALA   HB1    H   1   1.40   .   .   1   .   .   .   .   A   783   ALA   HB1    .   31119   1    
     57   .   1   .   1   9    9    ALA   HB2    H   1   1.40   .   .   1   .   .   .   .   A   783   ALA   HB2    .   31119   1    
     58   .   1   .   1   9    9    ALA   HB3    H   1   1.40   .   .   1   .   .   .   .   A   783   ALA   HB3    .   31119   1    
     59   .   1   .   1   10   10   ALA   H      H   1   7.96   .   .   1   .   .   .   .   A   784   ALA   H      .   31119   1    
     60   .   1   .   1   10   10   ALA   HA     H   1   3.90   .   .   1   .   .   .   .   A   784   ALA   HA     .   31119   1    
     61   .   1   .   1   10   10   ALA   HB1    H   1   1.38   .   .   1   .   .   .   .   A   784   ALA   HB1    .   31119   1    
     62   .   1   .   1   10   10   ALA   HB2    H   1   1.38   .   .   1   .   .   .   .   A   784   ALA   HB2    .   31119   1    
     63   .   1   .   1   10   10   ALA   HB3    H   1   1.38   .   .   1   .   .   .   .   A   784   ALA   HB3    .   31119   1    
     64   .   1   .   1   11   11   LYS   H      H   1   7.76   .   .   1   .   .   .   .   A   785   LYS   H      .   31119   1    
     65   .   1   .   1   11   11   LYS   HA     H   1   4.03   .   .   1   .   .   .   .   A   785   LYS   HA     .   31119   1    
     66   .   1   .   1   11   11   LYS   HB2    H   1   1.77   .   .   .   .   .   .   .   A   785   LYS   HB2    .   31119   1    
     67   .   1   .   1   11   11   LYS   HB3    H   1   1.77   .   .   .   .   .   .   .   A   785   LYS   HB3    .   31119   1    
     68   .   1   .   1   11   11   LYS   HG2    H   1   1.37   .   .   .   .   .   .   .   A   785   LYS   HG2    .   31119   1    
     69   .   1   .   1   11   11   LYS   HG3    H   1   1.45   .   .   .   .   .   .   .   A   785   LYS   HG3    .   31119   1    
     70   .   1   .   1   11   11   LYS   HD2    H   1   1.60   .   .   .   .   .   .   .   A   785   LYS   HD2    .   31119   1    
     71   .   1   .   1   11   11   LYS   HD3    H   1   1.60   .   .   .   .   .   .   .   A   785   LYS   HD3    .   31119   1    
     72   .   1   .   1   11   11   LYS   HE2    H   1   2.90   .   .   .   .   .   .   .   A   785   LYS   HE2    .   31119   1    
     73   .   1   .   1   11   11   LYS   HE3    H   1   2.90   .   .   .   .   .   .   .   A   785   LYS   HE3    .   31119   1    
     74   .   1   .   1   11   11   LYS   HZ1    H   1   7.50   .   .   1   .   .   .   .   A   785   LYS   HZ1    .   31119   1    
     75   .   1   .   1   11   11   LYS   HZ2    H   1   7.50   .   .   1   .   .   .   .   A   785   LYS   HZ2    .   31119   1    
     76   .   1   .   1   11   11   LYS   HZ3    H   1   7.50   .   .   1   .   .   .   .   A   785   LYS   HZ3    .   31119   1    
     77   .   1   .   1   12   12   ALA   H      H   1   7.67   .   .   1   .   .   .   .   A   786   ALA   H      .   31119   1    
     78   .   1   .   1   12   12   ALA   HA     H   1   4.14   .   .   1   .   .   .   .   A   786   ALA   HA     .   31119   1    
     79   .   1   .   1   12   12   ALA   HB1    H   1   1.25   .   .   1   .   .   .   .   A   786   ALA   HB1    .   31119   1    
     80   .   1   .   1   12   12   ALA   HB2    H   1   1.25   .   .   1   .   .   .   .   A   786   ALA   HB2    .   31119   1    
     81   .   1   .   1   12   12   ALA   HB3    H   1   1.25   .   .   1   .   .   .   .   A   786   ALA   HB3    .   31119   1    
     82   .   1   .   1   13   13   TRP   H      H   1   7.76   .   .   1   .   .   .   .   A   787   TRP   H      .   31119   1    
     83   .   1   .   1   13   13   TRP   HA     H   1   4.59   .   .   1   .   .   .   .   A   787   TRP   HA     .   31119   1    
     84   .   1   .   1   13   13   TRP   HB2    H   1   3.22   .   .   .   .   .   .   .   A   787   TRP   HB2    .   31119   1    
     85   .   1   .   1   13   13   TRP   HB3    H   1   3.32   .   .   .   .   .   .   .   A   787   TRP   HB3    .   31119   1    
     86   .   1   .   1   13   13   TRP   HD1    H   1   7.17   .   .   1   .   .   .   .   A   787   TRP   HD1    .   31119   1    
     87   .   1   .   1   13   13   TRP   HE1    H   1   9.84   .   .   1   .   .   .   .   A   787   TRP   HE1    .   31119   1    
     88   .   1   .   1   13   13   TRP   HE3    H   1   7.61   .   .   1   .   .   .   .   A   787   TRP   HE3    .   31119   1    
     89   .   1   .   1   13   13   TRP   HZ2    H   1   7.40   .   .   1   .   .   .   .   A   787   TRP   HZ2    .   31119   1    
     90   .   1   .   1   13   13   TRP   HZ3    H   1   7.07   .   .   1   .   .   .   .   A   787   TRP   HZ3    .   31119   1    
     91   .   1   .   1   13   13   TRP   HH2    H   1   7.15   .   .   1   .   .   .   .   A   787   TRP   HH2    .   31119   1    
     92   .   1   .   1   14   14   NH2   HN1    H   1   6.92   .   .   1   .   .   .   .   A   788   NH2   HN1    .   31119   1    
     93   .   1   .   1   14   14   NH2   HN2    H   1   7.20   .   .   1   .   .   .   .   A   788   NH2   HN2    .   31119   1    

   stop_

save_