###################################
     #  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                     50036
   _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   '2D 1H-15N HMQC'   .   .   .   50036   1    
     2   '2D 1H-1H NOESY'   .   .   .   50036   1    

   stop_

   loop_
      _Chem_shift_software.Software_ID
      _Chem_shift_software.Software_label
      _Chem_shift_software.Method_ID
      _Chem_shift_software.Method_label
      _Chem_shift_software.Entry_ID
      _Chem_shift_software.Assigned_chem_shift_list_ID

     1   $software_1   .   .   50036   1    
     2   $software_2   .   .   50036   1    
     3   $software_3   .   .   50036   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   2    2    G   H1   H   1    13.174    0.000   .   1   .   .   .   .   .   2    G   H1   .   50036   1    
     2    .   1   .   1   2    2    G   N1   N   15   148.580   0.000   .   1   .   .   .   .   .   2    G   N1   .   50036   1    
     3    .   1   .   1   3    3    G   H1   H   1    11.690    0.000   .   1   .   .   .   .   .   3    G   H1   .   50036   1    
     4    .   1   .   1   3    3    G   N1   N   15   145.569   0.000   .   1   .   .   .   .   .   3    G   N1   .   50036   1    
     5    .   1   .   1   7    7    U   H3   H   1    13.424    0.000   .   1   .   .   .   .   .   7    U   H3   .   50036   1    
     6    .   1   .   1   7    7    U   N3   N   15   161.739   0.000   .   1   .   .   .   .   .   7    U   N3   .   50036   1    
     7    .   1   .   1   9    9    U   H3   H   1    11.803    0.000   .   1   .   .   .   .   .   9    U   H3   .   50036   1    
     8    .   1   .   1   9    9    U   N3   N   15   158.947   0.000   .   1   .   .   .   .   .   9    U   N3   .   50036   1    
     9    .   1   .   1   10   10   G   H1   H   1    11.271    0.000   .   1   .   .   .   .   .   10   G   H1   .   50036   1    
     10   .   1   .   1   10   10   G   N1   N   15   143.856   0.000   .   1   .   .   .   .   .   10   G   N1   .   50036   1    
     11   .   1   .   1   11   11   U   H3   H   1    12.430    0.000   .   1   .   .   .   .   .   11   U   H3   .   50036   1    
     12   .   1   .   1   11   11   U   N3   N   15   159.442   0.000   .   1   .   .   .   .   .   11   U   N3   .   50036   1    
     13   .   1   .   1   14   14   U   H3   H   1    12.044    0.000   .   1   .   .   .   .   .   14   U   H3   .   50036   1    
     14   .   1   .   1   14   14   U   N3   N   15   160.246   0.000   .   1   .   .   .   .   .   14   U   N3   .   50036   1    
     15   .   1   .   1   17   17   G   H1   H   1    10.117    0.000   .   1   .   .   .   .   .   17   G   H1   .   50036   1    
     16   .   1   .   1   17   17   G   N1   N   15   143.574   0.000   .   1   .   .   .   .   .   17   G   N1   .   50036   1    
     17   .   1   .   1   18   18   G   H1   H   1    13.134    0.000   .   1   .   .   .   .   .   18   G   H1   .   50036   1    
     18   .   1   .   1   18   18   G   N1   N   15   147.712   0.000   .   1   .   .   .   .   .   18   G   N1   .   50036   1    
     19   .   1   .   1   19   19   G   H1   H   1    12.896    0.000   .   1   .   .   .   .   .   19   G   H1   .   50036   1    
     20   .   1   .   1   19   19   G   N1   N   15   148.775   0.000   .   1   .   .   .   .   .   19   G   N1   .   50036   1    
     21   .   1   .   1   20   20   G   H1   H   1    11.591    0.000   .   1   .   .   .   .   .   20   G   H1   .   50036   1    
     22   .   1   .   1   20   20   G   N1   N   15   145.356   0.000   .   1   .   .   .   .   .   20   G   N1   .   50036   1    
     23   .   1   .   1   21   21   U   H3   H   1    12.417    0.000   .   1   .   .   .   .   .   21   U   H3   .   50036   1    
     24   .   1   .   1   21   21   U   N3   N   15   160.158   0.000   .   1   .   .   .   .   .   21   U   N3   .   50036   1    
     25   .   1   .   1   22   22   G   H1   H   1    11.258    0.000   .   1   .   .   .   .   .   22   G   H1   .   50036   1    
     26   .   1   .   1   22   22   G   N1   N   15   143.802   0.000   .   1   .   .   .   .   .   22   G   N1   .   50036   1    
     27   .   1   .   1   23   23   U   H3   H   1    13.779    0.000   .   1   .   .   .   .   .   23   U   H3   .   50036   1    
     28   .   1   .   1   23   23   U   N3   N   15   162.556   0.000   .   1   .   .   .   .   .   23   U   N3   .   50036   1    
     29   .   1   .   1   25   25   U   H3   H   1    14.219    0.000   .   1   .   .   .   .   .   25   U   H3   .   50036   1    
     30   .   1   .   1   25   25   U   N3   N   15   162.419   0.000   .   1   .   .   .   .   .   25   U   N3   .   50036   1    
     31   .   1   .   1   26   26   U   H3   H   1    13.475    0.000   .   1   .   .   .   .   .   26   U   H3   .   50036   1    
     32   .   1   .   1   26   26   U   N3   N   15   162.710   0.000   .   1   .   .   .   .   .   26   U   N3   .   50036   1    
     33   .   1   .   1   27   27   G   H1   H   1    12.838    0.000   .   1   .   .   .   .   .   27   G   H1   .   50036   1    
     34   .   1   .   1   27   27   G   N1   N   15   147.769   0.000   .   1   .   .   .   .   .   27   G   N1   .   50036   1    
     35   .   1   .   1   28   28   U   H3   H   1    12.379    0.000   .   1   .   .   .   .   .   28   U   H3   .   50036   1    
     36   .   1   .   1   28   28   U   N3   N   15   159.285   0.000   .   1   .   .   .   .   .   28   U   N3   .   50036   1    

   stop_

save_