###################################
     #  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                     18658
   _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 1H-1H TOCSY'   .   .   .   18658   1    
     2   '2D 1H-1H NOESY'   .   .   .   18658   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    MET   H      H   1   8.286   0.002   .   1   .   .   .   A   1    MET   H1     .   18658   1    
     2    .   1   1   1    1    MET   HA     H   1   4.379   0.000   .   1   .   .   .   A   1    MET   HA     .   18658   1    
     3    .   1   1   1    1    MET   HB2    H   1   2.120   0.004   .   2   .   .   .   A   1    MET   HB2    .   18658   1    
     4    .   1   1   1    1    MET   HB3    H   1   2.052   0.000   .   2   .   .   .   A   1    MET   HB3    .   18658   1    
     5    .   1   1   1    1    MET   HG2    H   1   2.607   0.001   .   2   .   .   .   A   1    MET   HG2    .   18658   1    
     6    .   1   1   2    2    GLY   H      H   1   8.461   0.001   .   1   .   .   .   A   2    GLY   H      .   18658   1    
     7    .   1   1   2    2    GLY   HA2    H   1   4.053   0.002   .   2   .   .   .   A   2    GLY   HA2    .   18658   1    
     8    .   1   1   2    2    GLY   HA3    H   1   3.974   0.005   .   2   .   .   .   A   2    GLY   HA3    .   18658   1    
     9    .   1   1   3    3    SER   H      H   1   8.075   0.003   .   1   .   .   .   A   3    SER   H      .   18658   1    
     10   .   1   1   3    3    SER   HA     H   1   4.397   0.002   .   1   .   .   .   A   3    SER   HA     .   18658   1    
     11   .   1   1   3    3    SER   HB2    H   1   4.039   0.000   .   2   .   .   .   A   3    SER   HB2    .   18658   1    
     12   .   1   1   3    3    SER   HB3    H   1   3.974   0.003   .   2   .   .   .   A   3    SER   HB3    .   18658   1    
     13   .   1   1   4    4    LEU   H      H   1   7.915   0.004   .   1   .   .   .   A   4    LEU   H      .   18658   1    
     14   .   1   1   4    4    LEU   HA     H   1   4.258   0.002   .   1   .   .   .   A   4    LEU   HA     .   18658   1    
     15   .   1   1   4    4    LEU   HB2    H   1   1.636   0.001   .   2   .   .   .   A   4    LEU   HB2    .   18658   1    
     16   .   1   1   4    4    LEU   HB3    H   1   1.565   0.000   .   2   .   .   .   A   4    LEU   HB3    .   18658   1    
     17   .   1   1   4    4    LEU   HD11   H   1   0.946   0.009   .   2   .   .   .   A   4    LEU   HD11   .   18658   1    
     18   .   1   1   4    4    LEU   HD12   H   1   0.946   0.009   .   2   .   .   .   A   4    LEU   HD12   .   18658   1    
     19   .   1   1   4    4    LEU   HD13   H   1   0.946   0.009   .   2   .   .   .   A   4    LEU   HD13   .   18658   1    
     20   .   1   1   4    4    LEU   HD21   H   1   0.869   0.000   .   2   .   .   .   A   4    LEU   HD21   .   18658   1    
     21   .   1   1   4    4    LEU   HD22   H   1   0.869   0.000   .   2   .   .   .   A   4    LEU   HD22   .   18658   1    
     22   .   1   1   4    4    LEU   HD23   H   1   0.869   0.000   .   2   .   .   .   A   4    LEU   HD23   .   18658   1    
     23   .   1   1   5    5    PHE   H      H   1   7.956   0.001   .   1   .   .   .   A   5    PHE   H      .   18658   1    
     24   .   1   1   5    5    PHE   HA     H   1   4.581   0.002   .   1   .   .   .   A   5    PHE   HA     .   18658   1    
     25   .   1   1   5    5    PHE   HB2    H   1   3.279   0.004   .   2   .   .   .   A   5    PHE   HB2    .   18658   1    
     26   .   1   1   5    5    PHE   HB3    H   1   3.141   0.010   .   2   .   .   .   A   5    PHE   HB3    .   18658   1    
     27   .   1   1   5    5    PHE   HD1    H   1   7.275   0.002   .   3   .   .   .   A   5    PHE   HD1    .   18658   1    
     28   .   1   1   5    5    PHE   HE1    H   1   7.317   0.031   .   3   .   .   .   A   5    PHE   HE1    .   18658   1    
     29   .   1   1   6    6    ARG   H      H   1   8.086   0.004   .   1   .   .   .   A   6    ARG   H      .   18658   1    
     30   .   1   1   6    6    ARG   HA     H   1   4.259   0.002   .   1   .   .   .   A   6    ARG   HA     .   18658   1    
     31   .   1   1   6    6    ARG   HB2    H   1   2.037   0.004   .   2   .   .   .   A   6    ARG   HB2    .   18658   1    
     32   .   1   1   6    6    ARG   HB3    H   1   1.962   0.004   .   2   .   .   .   A   6    ARG   HB3    .   18658   1    
     33   .   1   1   6    6    ARG   HG2    H   1   1.801   0.000   .   2   .   .   .   A   6    ARG   HG2    .   18658   1    
     34   .   1   1   7    7    SER   H      H   1   8.250   0.002   .   1   .   .   .   A   7    SER   H      .   18658   1    
     35   .   1   1   7    7    SER   HA     H   1   4.364   0.001   .   1   .   .   .   A   7    SER   HA     .   18658   1    
     36   .   1   1   7    7    SER   HB2    H   1   4.106   0.004   .   2   .   .   .   A   7    SER   HB2    .   18658   1    
     37   .   1   1   7    7    SER   HB3    H   1   4.018   0.001   .   2   .   .   .   A   7    SER   HB3    .   18658   1    
     38   .   1   1   8    8    GLU   H      H   1   8.968   0.001   .   1   .   .   .   A   8    GLU   H      .   18658   1    
     39   .   1   1   8    8    GLU   HA     H   1   4.175   0.002   .   1   .   .   .   A   8    GLU   HA     .   18658   1    
     40   .   1   1   8    8    GLU   HB2    H   1   2.158   0.001   .   2   .   .   .   A   8    GLU   HB2    .   18658   1    
     41   .   1   1   8    8    GLU   HG2    H   1   2.446   0.003   .   2   .   .   .   A   8    GLU   HG2    .   18658   1    
     42   .   1   1   9    9    SER   H      H   1   8.156   0.002   .   1   .   .   .   A   9    SER   H      .   18658   1    
     43   .   1   1   9    9    SER   HA     H   1   4.236   0.001   .   1   .   .   .   A   9    SER   HA     .   18658   1    
     44   .   1   1   9    9    SER   HB2    H   1   4.023   0.001   .   2   .   .   .   A   9    SER   HB2    .   18658   1    
     45   .   1   1   9    9    SER   HB3    H   1   3.920   0.001   .   2   .   .   .   A   9    SER   HB3    .   18658   1    
     46   .   1   1   10   10   MET   H      H   1   7.945   0.003   .   1   .   .   .   A   10   MET   H      .   18658   1    
     47   .   1   1   10   10   MET   HA     H   1   4.401   0.004   .   1   .   .   .   A   10   MET   HA     .   18658   1    
     48   .   1   1   10   10   MET   HB2    H   1   2.255   0.004   .   2   .   .   .   A   10   MET   HB2    .   18658   1    
     49   .   1   1   10   10   MET   HG2    H   1   2.768   0.001   .   2   .   .   .   A   10   MET   HG2    .   18658   1    
     50   .   1   1   10   10   MET   HG3    H   1   2.631   0.001   .   2   .   .   .   A   10   MET   HG3    .   18658   1    
     51   .   1   1   11   11   CYS   H      H   1   8.036   0.003   .   1   .   .   .   A   11   CYS   H      .   18658   1    
     52   .   1   1   11   11   CYS   HA     H   1   4.273   0.005   .   1   .   .   .   A   11   CYS   HA     .   18658   1    
     53   .   1   1   11   11   CYS   HB2    H   1   3.165   0.001   .   2   .   .   .   A   11   CYS   HB2    .   18658   1    
     54   .   1   1   11   11   CYS   HB3    H   1   2.990   0.003   .   2   .   .   .   A   11   CYS   HB3    .   18658   1    
     55   .   1   1   12   12   LEU   H      H   1   8.130   0.002   .   1   .   .   .   A   12   LEU   H      .   18658   1    
     56   .   1   1   12   12   LEU   HA     H   1   4.132   0.001   .   1   .   .   .   A   12   LEU   HA     .   18658   1    
     57   .   1   1   12   12   LEU   HB2    H   1   1.622   0.000   .   2   .   .   .   A   12   LEU   HB2    .   18658   1    
     58   .   1   1   12   12   LEU   HD11   H   1   0.935   0.000   .   2   .   .   .   A   12   LEU   HD11   .   18658   1    
     59   .   1   1   12   12   LEU   HD12   H   1   0.935   0.000   .   2   .   .   .   A   12   LEU   HD12   .   18658   1    
     60   .   1   1   12   12   LEU   HD13   H   1   0.935   0.000   .   2   .   .   .   A   12   LEU   HD13   .   18658   1    
     61   .   1   1   13   13   ALA   H      H   1   8.026   0.001   .   1   .   .   .   A   13   ALA   H      .   18658   1    
     62   .   1   1   13   13   ALA   HA     H   1   4.145   0.004   .   1   .   .   .   A   13   ALA   HA     .   18658   1    
     63   .   1   1   13   13   ALA   HB1    H   1   1.585   0.006   .   1   .   .   .   A   13   ALA   HB1    .   18658   1    
     64   .   1   1   13   13   ALA   HB2    H   1   1.585   0.006   .   1   .   .   .   A   13   ALA   HB2    .   18658   1    
     65   .   1   1   13   13   ALA   HB3    H   1   1.585   0.006   .   1   .   .   .   A   13   ALA   HB3    .   18658   1    
     66   .   1   1   14   14   GLN   H      H   1   7.922   0.004   .   1   .   .   .   A   14   GLN   H      .   18658   1    
     67   .   1   1   14   14   GLN   HA     H   1   4.078   0.004   .   1   .   .   .   A   14   GLN   HA     .   18658   1    
     68   .   1   1   14   14   GLN   HB2    H   1   2.334   0.001   .   2   .   .   .   A   14   GLN   HB2    .   18658   1    
     69   .   1   1   14   14   GLN   HB3    H   1   2.250   0.005   .   2   .   .   .   A   14   GLN   HB3    .   18658   1    
     70   .   1   1   14   14   GLN   HG2    H   1   2.590   0.004   .   2   .   .   .   A   14   GLN   HG2    .   18658   1    
     71   .   1   1   14   14   GLN   HG3    H   1   2.450   0.003   .   2   .   .   .   A   14   GLN   HG3    .   18658   1    
     72   .   1   1   14   14   GLN   HE21   H   1   6.552   0.001   .   2   .   .   .   A   14   GLN   HE21   .   18658   1    
     73   .   1   1   14   14   GLN   HE22   H   1   6.976   0.001   .   2   .   .   .   A   14   GLN   HE22   .   18658   1    
     74   .   1   1   15   15   LEU   H      H   1   8.059   0.002   .   1   .   .   .   A   15   LEU   H      .   18658   1    
     75   .   1   1   15   15   LEU   HA     H   1   4.198   0.005   .   1   .   .   .   A   15   LEU   HA     .   18658   1    
     76   .   1   1   15   15   LEU   HD11   H   1   0.954   0.003   .   2   .   .   .   A   15   LEU   HD11   .   18658   1    
     77   .   1   1   15   15   LEU   HD12   H   1   0.954   0.003   .   2   .   .   .   A   15   LEU   HD12   .   18658   1    
     78   .   1   1   15   15   LEU   HD13   H   1   0.954   0.003   .   2   .   .   .   A   15   LEU   HD13   .   18658   1    
     79   .   1   1   15   15   LEU   HD21   H   1   0.892   0.003   .   2   .   .   .   A   15   LEU   HD21   .   18658   1    
     80   .   1   1   15   15   LEU   HD22   H   1   0.892   0.003   .   2   .   .   .   A   15   LEU   HD22   .   18658   1    
     81   .   1   1   15   15   LEU   HD23   H   1   0.892   0.003   .   2   .   .   .   A   15   LEU   HD23   .   18658   1    
     82   .   1   1   16   16   PHE   H      H   1   8.529   0.001   .   1   .   .   .   A   16   PHE   H      .   18658   1    
     83   .   1   1   16   16   PHE   HA     H   1   4.419   0.006   .   1   .   .   .   A   16   PHE   HA     .   18658   1    
     84   .   1   1   16   16   PHE   HB2    H   1   3.300   0.010   .   2   .   .   .   A   16   PHE   HB2    .   18658   1    
     85   .   1   1   16   16   PHE   HD1    H   1   7.274   0.002   .   3   .   .   .   A   16   PHE   HD1    .   18658   1    
     86   .   1   1   16   16   PHE   HE1    H   1   7.317   0.001   .   3   .   .   .   A   16   PHE   HE1    .   18658   1    
     87   .   1   1   17   17   LEU   H      H   1   8.484   0.003   .   1   .   .   .   A   17   LEU   H      .   18658   1    
     88   .   1   1   17   17   LEU   HA     H   1   4.089   0.002   .   1   .   .   .   A   17   LEU   HA     .   18658   1    
     89   .   1   1   17   17   LEU   HB2    H   1   1.925   0.002   .   2   .   .   .   A   17   LEU   HB2    .   18658   1    
     90   .   1   1   17   17   LEU   HG     H   1   1.530   0.000   .   1   .   .   .   A   17   LEU   HG     .   18658   1    
     91   .   1   1   17   17   LEU   HD11   H   1   0.955   0.024   .   2   .   .   .   A   17   LEU   HD11   .   18658   1    
     92   .   1   1   17   17   LEU   HD12   H   1   0.955   0.024   .   2   .   .   .   A   17   LEU   HD12   .   18658   1    
     93   .   1   1   17   17   LEU   HD13   H   1   0.955   0.024   .   2   .   .   .   A   17   LEU   HD13   .   18658   1    
     94   .   1   1   17   17   LEU   HD21   H   1   0.896   0.005   .   2   .   .   .   A   17   LEU   HD21   .   18658   1    
     95   .   1   1   17   17   LEU   HD22   H   1   0.896   0.005   .   2   .   .   .   A   17   LEU   HD22   .   18658   1    
     96   .   1   1   17   17   LEU   HD23   H   1   0.896   0.005   .   2   .   .   .   A   17   LEU   HD23   .   18658   1    

   stop_

save_