###################################
     #  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                     30283
   _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   $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 NOESY'   .   .   .   30283   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.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    G   H1'    H   1   5.720   0.000   .   .   .   5    .   .   A   1    G   H1'    .   30283   1    
     2    .   1   1   1    1    G   H2'    H   1   4.832   0.000   .   .   .   9    .   .   A   1    G   H2'    .   30283   1    
     3    .   1   1   1    1    G   H3'    H   1   4.675   0.000   .   .   .   7    .   .   A   1    G   H3'    .   30283   1    
     4    .   1   1   1    1    G   H4'    H   1   4.398   0.000   .   .   .   5    .   .   A   1    G   H4'    .   30283   1    
     5    .   1   1   1    1    G   H5'    H   1   4.043   0.000   .   .   .   6    .   .   A   1    G   H5'    .   30283   1    
     6    .   1   1   1    1    G   H5''   H   1   3.929   0.000   .   .   .   6    .   .   A   1    G   H5''   .   30283   1    
     7    .   1   1   1    1    G   H8     H   1   8.065   0.000   .   .   .   8    .   .   A   1    G   H8     .   30283   1    
     8    .   1   1   2    2    A   H1'    H   1   6.099   0.000   .   .   .   6    .   .   A   2    A   H1'    .   30283   1    
     9    .   1   1   2    2    A   H2     H   1   7.947   0.000   .   .   .   4    .   .   A   2    A   H2     .   30283   1    
     10   .   1   1   2    2    A   H2'    H   1   4.560   0.000   .   .   .   7    .   .   A   2    A   H2'    .   30283   1    
     11   .   1   1   2    2    A   H8     H   1   8.190   0.000   .   .   .   10   .   .   A   2    A   H8     .   30283   1    
     12   .   1   1   3    3    C   H1'    H   1   5.466   0.000   .   .   .   7    .   .   A   3    C   H1'    .   30283   1    
     13   .   1   1   3    3    C   H2'    H   1   4.280   0.000   .   .   .   3    .   .   A   3    C   H2'    .   30283   1    
     14   .   1   1   3    3    C   H5     H   1   5.212   0.000   .   .   .   9    .   .   A   3    C   H5     .   30283   1    
     15   .   1   1   3    3    C   H6     H   1   7.582   0.000   .   .   .   10   .   .   A   3    C   H6     .   30283   1    
     16   .   1   1   4    4    C   H5     H   1   5.435   0.000   .   .   .   2    .   .   A   4    C   H5     .   30283   1    
     17   .   1   1   4    4    C   H6     H   1   7.631   0.000   .   .   .   5    .   .   A   4    C   H6     .   30283   1    
     18   .   1   1   5    5    U   H1'    H   1   5.448   0.000   .   .   .   2    .   .   A   5    U   H1'    .   30283   1    
     19   .   1   1   6    6    G   H1'    H   1   5.757   0.000   .   .   .   4    .   .   A   6    G   H1'    .   30283   1    
     20   .   1   1   6    6    G   H2'    H   1   4.561   0.000   .   .   .   7    .   .   A   6    G   H2'    .   30283   1    
     21   .   1   1   6    6    G   H8     H   1   7.827   0.000   .   .   .   9    .   .   A   6    G   H8     .   30283   1    
     22   .   1   1   7    7    C   H1'    H   1   5.504   0.000   .   .   .   4    .   .   A   7    C   H1'    .   30283   1    
     23   .   1   1   7    7    C   H5     H   1   5.221   0.000   .   .   .   6    .   .   A   7    C   H5     .   30283   1    
     24   .   1   1   7    7    C   H6     H   1   7.531   0.000   .   .   .   8    .   .   A   7    C   H6     .   30283   1    
     25   .   1   1   8    8    U   H1'    H   1   5.486   0.000   .   .   .   2    .   .   A   8    U   H1'    .   30283   1    
     26   .   1   1   8    8    U   H6     H   1   7.636   0.000   .   .   .   7    .   .   A   8    U   H6     .   30283   1    
     27   .   1   1   9    9    G   H1'    H   1   5.765   0.000   .   .   .   6    .   .   A   9    G   H1'    .   30283   1    
     28   .   1   1   9    9    G   H2'    H   1   4.562   0.000   .   .   .   7    .   .   A   9    G   H2'    .   30283   1    
     29   .   1   1   9    9    G   H8     H   1   7.837   0.000   .   .   .   8    .   .   A   9    G   H8     .   30283   1    
     30   .   1   1   10   10   C   H1'    H   1   5.512   0.000   .   .   .   6    .   .   A   10   C   H1'    .   30283   1    
     31   .   1   1   10   10   C   H5     H   1   5.247   0.000   .   .   .   12   .   .   A   10   C   H5     .   30283   1    
     32   .   1   1   10   10   C   H6     H   1   7.549   0.000   .   .   .   8    .   .   A   10   C   H6     .   30283   1    
     33   .   1   1   11   11   U   H1'    H   1   5.495   0.000   .   .   .   3    .   .   A   11   U   H1'    .   30283   1    
     34   .   1   1   11   11   U   H5     H   1   5.448   0.000   .   .   .   2    .   .   A   11   U   H5     .   30283   1    
     35   .   1   1   11   11   U   H6     H   1   7.651   0.000   .   .   .   7    .   .   A   11   U   H6     .   30283   1    
     36   .   1   1   12   12   G   H1'    H   1   5.829   0.000   .   .   .   6    .   .   A   12   G   H1'    .   30283   1    
     37   .   1   1   12   12   G   H2'    H   1   4.693   0.000   .   .   .   4    .   .   A   12   G   H2'    .   30283   1    
     38   .   1   1   12   12   G   H3'    H   1   4.639   0.000   .   .   .   3    .   .   A   12   G   H3'    .   30283   1    
     39   .   1   1   12   12   G   H4'    H   1   4.444   0.000   .   .   .   1    .   .   A   12   G   H4'    .   30283   1    
     40   .   1   1   12   12   G   H8     H   1   7.854   0.000   .   .   .   9    .   .   A   12   G   H8     .   30283   1    
     41   .   1   1   13   13   G   H1'    H   1   5.739   0.000   .   .   .   5    .   .   A   13   G   H1'    .   30283   1    
     42   .   1   1   13   13   G   H2'    H   1   4.491   0.000   .   .   .   6    .   .   A   13   G   H2'    .   30283   1    
     43   .   1   1   13   13   G   H8     H   1   7.261   0.000   .   .   .   11   .   .   A   13   G   H8     .   30283   1    
     44   .   1   1   14   14   U   H1'    H   1   5.602   0.000   .   .   .   8    .   .   A   14   U   H1'    .   30283   1    
     45   .   1   1   14   14   U   H2'    H   1   4.321   0.000   .   .   .   5    .   .   A   14   U   H2'    .   30283   1    
     46   .   1   1   14   14   U   H3'    H   1   4.491   0.000   .   .   .   4    .   .   A   14   U   H3'    .   30283   1    
     47   .   1   1   14   14   U   H5     H   1   5.075   0.000   .   .   .   7    .   .   A   14   U   H5     .   30283   1    
     48   .   1   1   14   14   U   H6     H   1   7.795   0.000   .   .   .   8    .   .   A   14   U   H6     .   30283   1    
     49   .   1   1   15   15   C   H1'    H   1   5.874   0.000   .   .   .   5    .   .   A   15   C   H1'    .   30283   1    
     50   .   1   1   15   15   C   H2'    H   1   3.993   0.000   .   .   .   3    .   .   A   15   C   H2'    .   30283   1    
     51   .   1   1   15   15   C   H3'    H   1   4.193   0.000   .   .   .   3    .   .   A   15   C   H3'    .   30283   1    
     52   .   1   1   15   15   C   H5     H   1   5.685   0.000   .   .   .   7    .   .   A   15   C   H5     .   30283   1    
     53   .   1   1   15   15   C   H6     H   1   7.761   0.000   .   .   .   8    .   .   A   15   C   H6     .   30283   1    

   stop_

save_

     ###################################
     #  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_2
   _Assigned_chem_shift_list.Sf_category                  assigned_chemical_shifts
   _Assigned_chem_shift_list.Sf_framecode                 assigned_chemical_shifts_2
   _Assigned_chem_shift_list.Entry_ID                     30283
   _Assigned_chem_shift_list.ID                           2
   _Assigned_chem_shift_list.Sample_condition_list_ID     2
   _Assigned_chem_shift_list.Sample_condition_list_label  $sample_conditions_2
   _Assigned_chem_shift_list.Chem_shift_reference_ID      2
   _Assigned_chem_shift_list.Chem_shift_reference_label   $chem_shift_reference_2
   _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

     2   '2D 1H-1H NOESY'   .   .   .   30283   2    

   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.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    G   H1    H   1   12.679   0.000   .   .   .   6    .   .   A   1    G   H1    .   30283   2    
     2    .   1   1   2    2    A   H2    H   1   7.951    0.000   .   .   .   6    .   .   A   2    A   H2    .   30283   2    
     3    .   1   1   3    3    C   H5    H   1   5.224    0.000   .   .   .   2    .   .   A   3    C   H5    .   30283   2    
     4    .   1   1   3    3    C   H6    H   1   7.605    0.000   .   .   .   1    .   .   A   3    C   H6    .   30283   2    
     5    .   1   1   3    3    C   H41   H   1   8.487    0.000   .   .   .   5    .   .   A   3    C   H41   .   30283   2    
     6    .   1   1   3    3    C   H42   H   1   7.074    0.000   .   .   .   8    .   .   A   3    C   H42   .   30283   2    
     7    .   1   1   4    4    C   H5    H   1   5.446    0.000   .   .   .   2    .   .   A   4    C   H5    .   30283   2    
     8    .   1   1   4    4    C   H6    H   1   7.646    0.000   .   .   .   3    .   .   A   4    C   H6    .   30283   2    
     9    .   1   1   4    4    C   H41   H   1   8.344    0.000   .   .   .   5    .   .   A   4    C   H41   .   30283   2    
     10   .   1   1   4    4    C   H42   H   1   6.865    0.000   .   .   .   6    .   .   A   4    C   H42   .   30283   2    
     11   .   1   1   5    5    U   H3    H   1   10.262   0.033   .   .   .   4    .   .   A   5    U   H3    .   30283   2    
     12   .   1   1   6    6    G   H1    H   1   13.368   0.000   .   .   .   7    .   .   A   6    G   H1    .   30283   2    
     13   .   1   1   6    6    G   H1'   H   1   5.781    0.000   .   .   .   3    .   .   A   6    G   H1'   .   30283   2    
     14   .   1   1   6    6    G   H8    H   1   7.817    0.000   .   .   .   1    .   .   A   6    G   H8    .   30283   2    
     15   .   1   1   7    7    C   H5    H   1   5.234    0.000   .   .   .   3    .   .   A   7    C   H5    .   30283   2    
     16   .   1   1   7    7    C   H6    H   1   7.581    0.005   .   .   .   2    .   .   A   7    C   H6    .   30283   2    
     17   .   1   1   7    7    C   H41   H   1   8.416    0.000   .   .   .   5    .   .   A   7    C   H41   .   30283   2    
     18   .   1   1   7    7    C   H42   H   1   6.798    0.000   .   .   .   5    .   .   A   7    C   H42   .   30283   2    
     19   .   1   1   8    8    U   H3    H   1   10.281   0.000   .   .   .   5    .   .   A   8    U   H3    .   30283   2    
     20   .   1   1   9    9    G   H1    H   1   13.368   0.000   .   .   .   6    .   .   A   9    G   H1    .   30283   2    
     21   .   1   1   9    9    G   H1'   H   1   5.781    0.000   .   .   .   3    .   .   A   9    G   H1'   .   30283   2    
     22   .   1   1   9    9    G   H8    H   1   7.817    0.000   .   .   .   1    .   .   A   9    G   H8    .   30283   2    
     23   .   1   1   10   10   C   H5    H   1   5.234    0.000   .   .   .   3    .   .   A   10   C   H5    .   30283   2    
     24   .   1   1   10   10   C   H6    H   1   7.581    0.005   .   .   .   2    .   .   A   10   C   H6    .   30283   2    
     25   .   1   1   10   10   C   H41   H   1   8.416    0.000   .   .   .   5    .   .   A   10   C   H41   .   30283   2    
     26   .   1   1   10   10   C   H42   H   1   6.798    0.000   .   .   .   5    .   .   A   10   C   H42   .   30283   2    
     27   .   1   1   11   11   U   H3    H   1   10.205   0.000   .   .   .   3    .   .   A   11   U   H3    .   30283   2    
     28   .   1   1   12   12   G   H1    H   1   12.913   0.000   .   .   .   12   .   .   A   12   G   H1    .   30283   2    
     29   .   1   1   12   12   G   H1'   H   1   5.840    0.000   .   .   .   6    .   .   A   12   G   H1'   .   30283   2    
     30   .   1   1   12   12   G   H8    H   1   7.837    0.000   .   .   .   3    .   .   A   12   G   H8    .   30283   2    
     31   .   1   1   13   13   G   H1    H   1   13.330   0.000   .   .   .   12   .   .   A   13   G   H1    .   30283   2    
     32   .   1   1   13   13   G   H1'   H   1   5.762    0.000   .   .   .   4    .   .   A   13   G   H1'   .   30283   2    
     33   .   1   1   13   13   G   H8    H   1   7.277    0.000   .   .   .   4    .   .   A   13   G   H8    .   30283   2    
     34   .   1   1   14   14   U   H1'   H   1   5.599    0.000   .   .   .   2    .   .   A   14   U   H1'   .   30283   2    
     35   .   1   1   14   14   U   H3    H   1   14.696   0.000   .   .   .   4    .   .   A   14   U   H3    .   30283   2    
     36   .   1   1   14   14   U   H5    H   1   5.072    0.000   .   .   .   1    .   .   A   14   U   H5    .   30283   2    
     37   .   1   1   14   14   U   H6    H   1   7.812    0.000   .   .   .   1    .   .   A   14   U   H6    .   30283   2    
     38   .   1   1   15   15   C   H5    H   1   5.687    0.000   .   .   .   6    .   .   A   15   C   H5    .   30283   2    
     39   .   1   1   15   15   C   H6    H   1   7.775    0.000   .   .   .   4    .   .   A   15   C   H6    .   30283   2    
     40   .   1   1   15   15   C   H41   H   1   8.487    0.000   .   .   .   6    .   .   A   15   C   H41   .   30283   2    
     41   .   1   1   15   15   C   H42   H   1   7.146    0.000   .   .   .   8    .   .   A   15   C   H42   .   30283   2    

   stop_

save_