###################################
     #  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                     15044
   _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'   .   .   .   15044   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    VAL   HA     H   1   3.762    .   .   .   .   .   .   .   1    VAL   HA    .   15044   1    
     2    .   1   1   1    1    VAL   HB     H   1   2.145    .   .   .   .   .   .   .   1    VAL   HB    .   15044   1    
     3    .   1   1   1    1    VAL   HG11   H   1   0.974    .   .   .   .   .   .   .   1    VAL   HG1   .   15044   1    
     4    .   1   1   1    1    VAL   HG12   H   1   0.974    .   .   .   .   .   .   .   1    VAL   HG1   .   15044   1    
     5    .   1   1   1    1    VAL   HG13   H   1   0.974    .   .   .   .   .   .   .   1    VAL   HG1   .   15044   1    
     6    .   1   1   2    2    ARG   HA     H   1   4.301    .   .   .   .   .   .   .   2    ARG   HA    .   15044   1    
     7    .   1   1   2    2    ARG   HB2    H   1   1.686    .   .   .   .   .   .   .   2    ARG   HB2   .   15044   1    
     8    .   1   1   2    2    ARG   HG2    H   1   1.518    .   .   .   .   .   .   .   2    ARG   HG2   .   15044   1    
     9    .   1   1   2    2    ARG   HG3    H   1   1.470    .   .   .   .   .   .   .   2    ARG   HG3   .   15044   1    
     10   .   1   1   2    2    ARG   HD2    H   1   3.039    .   .   .   .   .   .   .   2    ARG   HD2   .   15044   1    
     11   .   1   1   3    3    ARG   H      H   1   8.268    .   .   .   .   .   .   .   3    ARG   H     .   15044   1    
     12   .   1   1   3    3    ARG   HA     H   1   4.292    .   .   .   .   .   .   .   3    ARG   HA    .   15044   1    
     13   .   1   1   3    3    ARG   HB2    H   1   1.642    .   .   .   .   .   .   .   3    ARG   HB2   .   15044   1    
     14   .   1   1   3    3    ARG   HB3    H   1   1.712    .   .   .   .   .   .   .   3    ARG   HB3   .   15044   1    
     15   .   1   1   3    3    ARG   HG2    H   1   1.550    .   .   .   .   .   .   .   3    ARG   HG2   .   15044   1    
     16   .   1   1   3    3    ARG   HG3    H   1   1.489    .   .   .   .   .   .   .   3    ARG   HG3   .   15044   1    
     17   .   1   1   3    3    ARG   HD2    H   1   3.130    .   .   .   .   .   .   .   3    ARG   HD2   .   15044   1    
     18   .   1   1   4    4    PHE   H      H   1   8.307    .   .   .   .   .   .   .   4    PHE   H     .   15044   1    
     19   .   1   1   4    4    PHE   HA     H   1   4.420    .   .   .   .   .   .   .   4    PHE   HA    .   15044   1    
     20   .   1   1   4    4    PHE   HB2    H   1   2.711    .   .   .   .   .   .   .   4    PHE   HB2   .   15044   1    
     21   .   1   1   4    4    PHE   HB3    H   1   2.621    .   .   .   .   .   .   .   4    PHE   HB3   .   15044   1    
     22   .   1   1   4    4    PHE   HD1    H   1   6.747    .   .   .   .   .   .   .   4    PHE   HD1   .   15044   1    
     23   .   1   1   4    4    PHE   HE1    H   1   6.993    .   .   .   .   .   .   .   4    PHE   HE1   .   15044   1    
     24   .   1   1   4    4    PHE   HZ     H   1   7.042    .   .   .   .   .   .   .   4    PHE   HZ    .   15044   1    
     25   .   1   1   5    5    PRO   HA     H   1   4.283    .   .   .   .   .   .   .   5    PRO   HA    .   15044   1    
     26   .   1   1   5    5    PRO   HB2    H   1   1.861    .   .   .   .   .   .   .   5    PRO   HB2   .   15044   1    
     27   .   1   1   5    5    PRO   HB3    H   1   0.620    .   .   .   .   .   .   .   5    PRO   HB3   .   15044   1    
     28   .   1   1   5    5    PRO   HG2    H   1   1.194    .   .   .   .   .   .   .   5    PRO   HG2   .   15044   1    
     29   .   1   1   5    5    PRO   HG3    H   1   1.620    .   .   .   .   .   .   .   5    PRO   HG3   .   15044   1    
     30   .   1   1   5    5    PRO   HD2    H   1   3.448    .   .   .   .   .   .   .   5    PRO   HD2   .   15044   1    
     31   .   1   1   5    5    PRO   HD3    H   1   2.814    .   .   .   .   .   .   .   5    PRO   HD3   .   15044   1    
     32   .   1   1   6    6    TRP   H      H   1   8.324    .   .   .   .   .   .   .   6    TRP   H     .   15044   1    
     33   .   1   1   6    6    TRP   HA     H   1   4.313    .   .   .   .   .   .   .   6    TRP   HA    .   15044   1    
     34   .   1   1   6    6    TRP   HB2    H   1   3.345    .   .   .   .   .   .   .   6    TRP   HB2   .   15044   1    
     35   .   1   1   6    6    TRP   HB3    H   1   3.479    .   .   .   .   .   .   .   6    TRP   HB3   .   15044   1    
     36   .   1   1   6    6    TRP   HD1    H   1   7.661    .   .   .   .   .   .   .   6    TRP   HD1   .   15044   1    
     37   .   1   1   6    6    TRP   HE1    H   1   11.136   .   .   .   .   .   .   .   6    TRP   HE1   .   15044   1    
     38   .   1   1   6    6    TRP   HE3    H   1   7.389    .   .   .   .   .   .   .   6    TRP   HE3   .   15044   1    
     39   .   1   1   6    6    TRP   HZ2    H   1   7.542    .   .   .   .   .   .   .   6    TRP   HZ2   .   15044   1    
     40   .   1   1   6    6    TRP   HZ3    H   1   6.837    .   .   .   .   .   .   .   6    TRP   HZ3   .   15044   1    
     41   .   1   1   6    6    TRP   HH2    H   1   7.031    .   .   .   .   .   .   .   6    TRP   HH2   .   15044   1    
     42   .   1   1   7    7    TRP   H      H   1   6.237    .   .   .   .   .   .   .   7    TRP   H     .   15044   1    
     43   .   1   1   7    7    TRP   HA     H   1   4.058    .   .   .   .   .   .   .   7    TRP   HA    .   15044   1    
     44   .   1   1   7    7    TRP   HB2    H   1   1.699    .   .   .   .   .   .   .   7    TRP   HB2   .   15044   1    
     45   .   1   1   7    7    TRP   HB3    H   1   3.036    .   .   .   .   .   .   .   7    TRP   HB3   .   15044   1    
     46   .   1   1   7    7    TRP   HD1    H   1   6.273    .   .   .   .   .   .   .   7    TRP   HD1   .   15044   1    
     47   .   1   1   7    7    TRP   HE1    H   1   10.598   .   .   .   .   .   .   .   7    TRP   HE1   .   15044   1    
     48   .   1   1   7    7    TRP   HE3    H   1   7.253    .   .   .   .   .   .   .   7    TRP   HE3   .   15044   1    
     49   .   1   1   7    7    TRP   HZ2    H   1   7.394    .   .   .   .   .   .   .   7    TRP   HZ2   .   15044   1    
     50   .   1   1   7    7    TRP   HZ3    H   1   6.952    .   .   .   .   .   .   .   7    TRP   HZ3   .   15044   1    
     51   .   1   1   7    7    TRP   HH2    H   1   7.091    .   .   .   .   .   .   .   7    TRP   HH2   .   15044   1    
     52   .   1   1   8    8    TRP   H      H   1   7.316    .   .   .   .   .   .   .   8    TRP   H     .   15044   1    
     53   .   1   1   8    8    TRP   HA     H   1   4.206    .   .   .   .   .   .   .   8    TRP   HA    .   15044   1    
     54   .   1   1   8    8    TRP   HB2    H   1   2.766    .   .   .   .   .   .   .   8    TRP   HB2   .   15044   1    
     55   .   1   1   8    8    TRP   HB3    H   1   3.029    .   .   .   .   .   .   .   8    TRP   HB3   .   15044   1    
     56   .   1   1   8    8    TRP   HD1    H   1   6.666    .   .   .   .   .   .   .   8    TRP   HD1   .   15044   1    
     57   .   1   1   8    8    TRP   HE1    H   1   10.006   .   .   .   .   .   .   .   8    TRP   HE1   .   15044   1    
     58   .   1   1   8    8    TRP   HE3    H   1   7.244    .   .   .   .   .   .   .   8    TRP   HE3   .   15044   1    
     59   .   1   1   8    8    TRP   HZ2    H   1   7.359    .   .   .   .   .   .   .   8    TRP   HZ2   .   15044   1    
     60   .   1   1   8    8    TRP   HZ3    H   1   6.945    .   .   .   .   .   .   .   8    TRP   HZ3   .   15044   1    
     61   .   1   1   8    8    TRP   HH2    H   1   7.062    .   .   .   .   .   .   .   8    TRP   HH2   .   15044   1    
     62   .   1   1   9    9    ALA   H      H   1   7.573    .   .   .   .   .   .   .   9    ALA   H     .   15044   1    
     63   .   1   1   9    9    ALA   HA     H   1   3.902    .   .   .   .   .   .   .   9    ALA   HA    .   15044   1    
     64   .   1   1   9    9    ALA   HB1    H   1   1.331    .   .   .   .   .   .   .   9    ALA   HB    .   15044   1    
     65   .   1   1   9    9    ALA   HB2    H   1   1.331    .   .   .   .   .   .   .   9    ALA   HB    .   15044   1    
     66   .   1   1   9    9    ALA   HB3    H   1   1.331    .   .   .   .   .   .   .   9    ALA   HB    .   15044   1    
     67   .   1   1   10   10   PHE   H      H   1   7.555    .   .   .   .   .   .   .   10   PHE   H     .   15044   1    
     68   .   1   1   10   10   PHE   HA     H   1   4.314    .   .   .   .   .   .   .   10   PHE   HA    .   15044   1    
     69   .   1   1   10   10   PHE   HB2    H   1   3.204    .   .   .   .   .   .   .   10   PHE   HB2   .   15044   1    
     70   .   1   1   10   10   PHE   HB3    H   1   3.087    .   .   .   .   .   .   .   10   PHE   HB3   .   15044   1    
     71   .   1   1   10   10   PHE   HD1    H   1   7.311    .   .   .   .   .   .   .   10   PHE   HD1   .   15044   1    
     72   .   1   1   10   10   PHE   HE1    H   1   7.403    .   .   .   .   .   .   .   10   PHE   HE1   .   15044   1    
     73   .   1   1   10   10   PHE   HZ     H   1   7.356    .   .   .   .   .   .   .   10   PHE   HZ    .   15044   1    
     74   .   1   1   11   11   LEU   H      H   1   7.489    .   .   .   .   .   .   .   11   LEU   H     .   15044   1    
     75   .   1   1   11   11   LEU   HA     H   1   4.060    .   .   .   .   .   .   .   11   LEU   HA    .   15044   1    
     76   .   1   1   11   11   LEU   HB2    H   1   1.420    .   .   .   .   .   .   .   11   LEU   HB2   .   15044   1    
     77   .   1   1   11   11   LEU   HB3    H   1   1.612    .   .   .   .   .   .   .   11   LEU   HB3   .   15044   1    
     78   .   1   1   11   11   LEU   HG     H   1   1.755    .   .   .   .   .   .   .   11   LEU   HG    .   15044   1    
     79   .   1   1   11   11   LEU   HD11   H   1   0.814    .   .   .   .   .   .   .   11   LEU   HD1   .   15044   1    
     80   .   1   1   11   11   LEU   HD12   H   1   0.814    .   .   .   .   .   .   .   11   LEU   HD1   .   15044   1    
     81   .   1   1   11   11   LEU   HD13   H   1   0.814    .   .   .   .   .   .   .   11   LEU   HD1   .   15044   1    
     82   .   1   1   12   12   ARG   H      H   1   7.490    .   .   .   .   .   .   .   12   ARG   H     .   15044   1    
     83   .   1   1   12   12   ARG   HA     H   1   4.102    .   .   .   .   .   .   .   12   ARG   HA    .   15044   1    
     84   .   1   1   12   12   ARG   HB2    H   1   1.573    .   .   .   .   .   .   .   12   ARG   HB2   .   15044   1    
     85   .   1   1   12   12   ARG   HB3    H   1   1.677    .   .   .   .   .   .   .   12   ARG   HB3   .   15044   1    
     86   .   1   1   12   12   ARG   HG2    H   1   1.414    .   .   .   .   .   .   .   12   ARG   HG2   .   15044   1    
     87   .   1   1   12   12   ARG   HD2    H   1   2.968    .   .   .   .   .   .   .   12   ARG   HD2   .   15044   1    
     88   .   1   1   12   12   ARG   HE     H   1   7.352    .   .   .   .   .   .   .   12   ARG   HE    .   15044   1    
     89   .   1   1   13   13   ARG   H      H   1   7.822    .   .   .   .   .   .   .   13   ARG   H     .   15044   1    
     90   .   1   1   13   13   ARG   HA     H   1   4.170    .   .   .   .   .   .   .   13   ARG   HA    .   15044   1    
     91   .   1   1   13   13   ARG   HB2    H   1   1.770    .   .   .   .   .   .   .   13   ARG   HB2   .   15044   1    
     92   .   1   1   13   13   ARG   HB3    H   1   1.874    .   .   .   .   .   .   .   13   ARG   HB3   .   15044   1    
     93   .   1   1   13   13   ARG   HG2    H   1   1.676    .   .   .   .   .   .   .   13   ARG   HG2   .   15044   1    
     94   .   1   1   13   13   ARG   HG3    H   1   1.628    .   .   .   .   .   .   .   13   ARG   HG3   .   15044   1    
     95   .   1   1   13   13   ARG   HD2    H   1   3.155    .   .   .   .   .   .   .   13   ARG   HD2   .   15044   1    
     96   .   1   1   13   13   ARG   HE     H   1   7.422    .   .   .   .   .   .   .   13   ARG   HE    .   15044   1    
     97   .   1   1   14   14   NH2   HN1    H   1   7.425    .   .   .   .   .   .   .   14   NH2   NH1   .   15044   1    

   stop_

save_