###################################
     #  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                     30885
   _Assigned_chem_shift_list.ID                           1
   _Assigned_chem_shift_list.Name                         .
   _Assigned_chem_shift_list.Sample_condition_list_ID     3
   _Assigned_chem_shift_list.Sample_condition_list_label  $sample_conditions_3
   _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   '2D 1H-1H TOCSY'   .   .   .   30885   1    
     2   '2D 1H-1H NOESY'   .   .   .   30885   1    
     3   '2D 1H-13C HSQC'   .   .   .   30885   1    
     4   '2D 1H-15N HSQC'   .   .   .   30885   1    
     5   '2D 1H-1H TOCSY'   .   .   .   30885   1    
     6   '2D 1H-1H TOCSY'   .   .   .   30885   1    
     7   '2D 1H-1H TOCSY'   .   .   .   30885   1    
     8   '2D 1H-1H TOCSY'   .   .   .   30885   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   GLY   H      H   1    7.590     0.000   .   .   .   .   .   A   A   1   GLY   H1     .   30885   1    
     2    .   1   .   1   1   1   GLY   HA2    H   1    3.882     0.003   .   .   .   .   .   A   A   1   GLY   HA2    .   30885   1    
     3    .   1   .   1   1   1   GLY   CA     C   13   45.299    0.000   .   .   .   .   .   A   A   1   GLY   CA     .   30885   1    
     4    .   1   .   1   1   1   GLY   N      N   15   105.143   0.000   .   .   .   .   .   A   A   1   GLY   N      .   30885   1    
     5    .   1   .   1   2   2   LEU   H      H   1    7.434     0.000   .   .   .   .   .   A   A   2   LEU   H      .   30885   1    
     6    .   1   .   1   2   2   LEU   HA     H   1    4.547     0.000   .   .   .   .   .   A   A   2   LEU   HA     .   30885   1    
     7    .   1   .   1   2   2   LEU   HB2    H   1    1.666     0.003   .   .   .   .   .   A   A   2   LEU   HB2    .   30885   1    
     8    .   1   .   1   2   2   LEU   HB3    H   1    1.666     0.003   .   .   .   .   .   A   A   2   LEU   HB3    .   30885   1    
     9    .   1   .   1   2   2   LEU   HG     H   1    1.692     0.003   .   .   .   .   .   A   A   2   LEU   HG     .   30885   1    
     10   .   1   .   1   2   2   LEU   HD11   H   1    1.008     0.003   .   .   .   .   .   A   A   2   LEU   HD11   .   30885   1    
     11   .   1   .   1   2   2   LEU   HD12   H   1    1.008     0.003   .   .   .   .   .   A   A   2   LEU   HD12   .   30885   1    
     12   .   1   .   1   2   2   LEU   HD13   H   1    1.008     0.003   .   .   .   .   .   A   A   2   LEU   HD13   .   30885   1    
     13   .   1   .   1   2   2   LEU   HD21   H   1    0.976     0.003   .   .   .   .   .   A   A   2   LEU   HD21   .   30885   1    
     14   .   1   .   1   2   2   LEU   HD22   H   1    0.976     0.003   .   .   .   .   .   A   A   2   LEU   HD22   .   30885   1    
     15   .   1   .   1   2   2   LEU   HD23   H   1    0.976     0.003   .   .   .   .   .   A   A   2   LEU   HD23   .   30885   1    
     16   .   1   .   1   2   2   LEU   CA     C   13   53.343    0.000   .   .   .   .   .   A   A   2   LEU   CA     .   30885   1    
     17   .   1   .   1   2   2   LEU   CB     C   13   41.541    0.000   .   .   .   .   .   A   A   2   LEU   CB     .   30885   1    
     18   .   1   .   1   2   2   LEU   CG     C   13   26.891    0.000   .   .   .   .   .   A   A   2   LEU   CG     .   30885   1    
     19   .   1   .   1   2   2   LEU   CD1    C   13   24.803    0.000   .   .   .   .   .   A   A   2   LEU   CD1    .   30885   1    
     20   .   1   .   1   2   2   LEU   CD2    C   13   23.810    0.000   .   .   .   .   .   A   A   2   LEU   CD2    .   30885   1    
     21   .   1   .   1   2   2   LEU   N      N   15   123.088   0.000   .   .   .   .   .   A   A   2   LEU   N      .   30885   1    
     22   .   1   .   1   3   3   TYR   H      H   1    9.203     0.003   .   .   .   .   .   A   A   3   TYR   H      .   30885   1    
     23   .   1   .   1   3   3   TYR   HA     H   1    4.465     0.000   .   .   .   .   .   A   A   3   TYR   HA     .   30885   1    
     24   .   1   .   1   3   3   TYR   HB2    H   1    3.145     0.003   .   .   .   .   .   A   A   3   TYR   HB2    .   30885   1    
     25   .   1   .   1   3   3   TYR   HB3    H   1    3.013     0.003   .   .   .   .   .   A   A   3   TYR   HB3    .   30885   1    
     26   .   1   .   1   3   3   TYR   HD1    H   1    7.232     0.002   .   .   .   .   .   A   A   3   TYR   HD1    .   30885   1    
     27   .   1   .   1   3   3   TYR   HD2    H   1    7.232     0.002   .   .   .   .   .   A   A   3   TYR   HD2    .   30885   1    
     28   .   1   .   1   3   3   TYR   HE1    H   1    6.779     0.010   .   .   .   .   .   A   A   3   TYR   HE1    .   30885   1    
     29   .   1   .   1   3   3   TYR   HE2    H   1    6.779     0.010   .   .   .   .   .   A   A   3   TYR   HE2    .   30885   1    
     30   .   1   .   1   3   3   TYR   CA     C   13   57.005    0.000   .   .   .   .   .   A   A   3   TYR   CA     .   30885   1    
     31   .   1   .   1   3   3   TYR   CB     C   13   36.845    0.000   .   .   .   .   .   A   A   3   TYR   CB     .   30885   1    
     32   .   1   .   1   3   3   TYR   N      N   15   126.012   0.000   .   .   .   .   .   A   A   3   TYR   N      .   30885   1    
     33   .   1   .   1   4   4   PRO   HA     H   1    4.412     0.007   .   .   .   .   .   A   A   4   PRO   HA     .   30885   1    
     34   .   1   .   1   4   4   PRO   HB2    H   1    2.274     0.003   .   .   .   .   .   A   A   4   PRO   HB2    .   30885   1    
     35   .   1   .   1   4   4   PRO   HB3    H   1    2.013     0.003   .   .   .   .   .   A   A   4   PRO   HB3    .   30885   1    
     36   .   1   .   1   4   4   PRO   HG2    H   1    2.045     0.000   .   .   .   .   .   A   A   4   PRO   HG2    .   30885   1    
     37   .   1   .   1   4   4   PRO   HG3    H   1    2.045     0.000   .   .   .   .   .   A   A   4   PRO   HG3    .   30885   1    
     38   .   1   .   1   4   4   PRO   HD2    H   1    3.963     0.008   .   .   .   .   .   A   A   4   PRO   HD2    .   30885   1    
     39   .   1   .   1   4   4   PRO   HD3    H   1    3.791     0.003   .   .   .   .   .   A   A   4   PRO   HD3    .   30885   1    
     40   .   1   .   1   4   4   PRO   CA     C   13   63.920    0.000   .   .   .   .   .   A   A   4   PRO   CA     .   30885   1    
     41   .   1   .   1   4   4   PRO   CB     C   13   31.358    0.000   .   .   .   .   .   A   A   4   PRO   CB     .   30885   1    
     42   .   1   .   1   4   4   PRO   CG     C   13   27.302    0.000   .   .   .   .   .   A   A   4   PRO   CG     .   30885   1    
     43   .   1   .   1   4   4   PRO   CD     C   13   50.536    0.000   .   .   .   .   .   A   A   4   PRO   CD     .   30885   1    
     44   .   1   .   1   5   5   TYR   H      H   1    7.080     0.000   .   .   .   .   .   A   A   5   TYR   H      .   30885   1    
     45   .   1   .   1   5   5   TYR   HA     H   1    4.290     0.000   .   .   .   .   .   A   A   5   TYR   HA     .   30885   1    
     46   .   1   .   1   5   5   TYR   HB2    H   1    3.060     0.003   .   .   .   .   .   A   A   5   TYR   HB2    .   30885   1    
     47   .   1   .   1   5   5   TYR   HB3    H   1    2.840     0.003   .   .   .   .   .   A   A   5   TYR   HB3    .   30885   1    
     48   .   1   .   1   5   5   TYR   CA     C   13   57.416    0.000   .   .   .   .   .   A   A   5   TYR   CA     .   30885   1    
     49   .   1   .   1   5   5   TYR   CB     C   13   38.898    0.000   .   .   .   .   .   A   A   5   TYR   CB     .   30885   1    
     50   .   1   .   1   6   6   PRO   HA     H   1    3.319     0.000   .   .   .   .   .   A   A   6   PRO   HA     .   30885   1    
     51   .   1   .   1   6   6   PRO   HB2    H   1    1.863     0.000   .   .   .   .   .   A   A   6   PRO   HB2    .   30885   1    
     52   .   1   .   1   6   6   PRO   HB3    H   1    0.965     0.000   .   .   .   .   .   A   A   6   PRO   HB3    .   30885   1    
     53   .   1   .   1   6   6   PRO   HG2    H   1    1.533     0.000   .   .   .   .   .   A   A   6   PRO   HG2    .   30885   1    
     54   .   1   .   1   6   6   PRO   HG3    H   1    0.836     0.000   .   .   .   .   .   A   A   6   PRO   HG3    .   30885   1    
     55   .   1   .   1   6   6   PRO   HD2    H   1    3.244     0.000   .   .   .   .   .   A   A   6   PRO   HD2    .   30885   1    
     56   .   1   .   1   6   6   PRO   HD3    H   1    3.037     0.003   .   .   .   .   .   A   A   6   PRO   HD3    .   30885   1    
     57   .   1   .   1   6   6   PRO   CA     C   13   63.235    0.000   .   .   .   .   .   A   A   6   PRO   CA     .   30885   1    
     58   .   1   .   1   6   6   PRO   CB     C   13   32.641    0.000   .   .   .   .   .   A   A   6   PRO   CB     .   30885   1    
     59   .   1   .   1   6   6   PRO   CG     C   13   23.810    0.000   .   .   .   .   .   A   A   6   PRO   CG     .   30885   1    
     60   .   1   .   1   6   6   PRO   CD     C   13   48.791    0.000   .   .   .   .   .   A   A   6   PRO   CD     .   30885   1    
     61   .   1   .   1   7   7   ASP   H      H   1    7.536     0.000   .   .   .   .   .   A   A   7   ASP   H      .   30885   1    
     62   .   1   .   1   7   7   ASP   HA     H   1    4.602     0.000   .   .   .   .   .   A   A   7   ASP   HA     .   30885   1    
     63   .   1   .   1   7   7   ASP   HB2    H   1    3.015     0.003   .   .   .   .   .   A   A   7   ASP   HB2    .   30885   1    
     64   .   1   .   1   7   7   ASP   HB3    H   1    2.918     0.003   .   .   .   .   .   A   A   7   ASP   HB3    .   30885   1    
     65   .   1   .   1   7   7   ASP   CA     C   13   52.385    0.000   .   .   .   .   .   A   A   7   ASP   CA     .   30885   1    
     66   .   1   .   1   7   7   ASP   CB     C   13   37.358    0.000   .   .   .   .   .   A   A   7   ASP   CB     .   30885   1    

   stop_

save_