###################################
     #  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                     50247
   _Assigned_chem_shift_list.ID                           1
   _Assigned_chem_shift_list.Name                         'non-exchangeable protons and 31P'
   _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'   .   .   .   50247   1    
     2   '2D 1H-13C HSQC'   .   .   .   50247   1    
     3   '2D 1H-31H COSY'   .   .   .   50247   1    
     4   '2D DQF-COSY'      .   .   .   50247   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

     2   $software_2   .   .   50247   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   U     H1'    H   1    5.336    0.01   .   1   .   .   .   .   .   1   U   H1'    .   50247   1    
     2    .   1   .   1   1   1   U     H2'    H   1    3.844    0.01   .   1   .   .   .   .   .   1   U   H2'    .   50247   1    
     3    .   1   .   1   1   1   U     H3'    H   1    4.558    0.01   .   1   .   .   .   .   .   1   U   H3'    .   50247   1    
     4    .   1   .   1   1   1   U     H4'    H   1    4.321    0.01   .   1   .   .   .   .   .   1   U   H4'    .   50247   1    
     5    .   1   .   1   1   1   U     H5     H   1    5.722    0.01   .   1   .   .   .   .   .   1   U   H5     .   50247   1    
     6    .   1   .   1   1   1   U     H5'    H   1    4.045    0.01   .   2   .   .   .   .   .   1   U   H5'    .   50247   1    
     7    .   1   .   1   1   1   U     H5''   H   1    4.216    0.01   .   2   .   .   .   .   .   1   U   H5''   .   50247   1    
     8    .   1   .   1   1   1   U     H6     H   1    7.961    0.01   .   1   .   .   .   .   .   1   U   H6     .   50247   1    
     9    .   1   .   1   1   1   U     P      P   31   -0.814   0.05   .   1   .   .   .   .   .   1   U   P      .   50247   1    
     10   .   1   .   1   2   2   G     H1'    H   1    5.904    0.01   .   1   .   .   .   .   .   2   G   H1'    .   50247   1    
     11   .   1   .   1   2   2   G     H2'    H   1    5.075    0.01   .   1   .   .   .   .   .   2   G   H2'    .   50247   1    
     12   .   1   .   1   2   2   G     H3'    H   1    4.941    0.01   .   1   .   .   .   .   .   2   G   H3'    .   50247   1    
     13   .   1   .   1   2   2   G     H4'    H   1    4.614    0.01   .   1   .   .   .   .   .   2   G   H4'    .   50247   1    
     14   .   1   .   1   2   2   G     H5'    H   1    4.167    0.01   .   2   .   .   .   .   .   2   G   H5'    .   50247   1    
     15   .   1   .   1   2   2   G     H5''   H   1    4.378    0.01   .   2   .   .   .   .   .   2   G   H5''   .   50247   1    
     16   .   1   .   1   2   2   G     H8     H   1    8.311    0.01   .   1   .   .   .   .   .   2   G   H8     .   50247   1    
     17   .   1   .   1   2   2   G     P      P   31   -5.069   0.05   .   1   .   .   .   .   .   2   G   P      .   50247   1    
     18   .   1   .   1   3   3   G     H1'    H   1    6.259    0.01   .   1   .   .   .   .   .   3   G   H1'    .   50247   1    
     19   .   1   .   1   3   3   G     H2'    H   1    4.861    0.01   .   1   .   .   .   .   .   3   G   H2'    .   50247   1    
     20   .   1   .   1   3   3   G     H3'    H   1    4.373    0.01   .   1   .   .   .   .   .   3   G   H3'    .   50247   1    
     21   .   1   .   1   3   3   G     H4'    H   1    4.732    0.01   .   1   .   .   .   .   .   3   G   H4'    .   50247   1    
     22   .   1   .   1   3   3   G     H5''   H   1    4.601    0.01   .   2   .   .   .   .   .   3   G   H5''   .   50247   1    
     23   .   1   .   1   3   3   G     H8     H   1    8.163    0.01   .   1   .   .   .   .   .   3   G   H8     .   50247   1    
     24   .   1   .   1   3   3   G     P      P   31   -2.066   0.05   .   1   .   .   .   .   .   3   G   P      .   50247   1    
     25   .   1   .   1   4   4   U     H1'    H   1    5.430    0.01   .   1   .   .   .   .   .   4   U   H1'    .   50247   1    
     26   .   1   .   1   4   4   U     H2'    H   1    4.260    0.01   .   1   .   .   .   .   .   4   U   H2'    .   50247   1    
     27   .   1   .   1   4   4   U     H3'    H   1    4.410    0.01   .   1   .   .   .   .   .   4   U   H3'    .   50247   1    
     28   .   1   .   1   4   4   U     H4'    H   1    4.534    0.01   .   1   .   .   .   .   .   4   U   H4'    .   50247   1    
     29   .   1   .   1   4   4   U     H5     H   1    4.619    0.01   .   1   .   .   .   .   .   4   U   H5     .   50247   1    
     30   .   1   .   1   4   4   U     H6     H   1    7.342    0.01   .   1   .   .   .   .   .   4   U   H6     .   50247   1    
     31   .   1   .   1   4   4   U     P      P   31   -2.942   0.05   .   1   .   .   .   .   .   4   U   P      .   50247   1    
     32   .   1   .   1   5   5   G     H1'    H   1    5.856    0.01   .   1   .   .   .   .   .   5   G   H1'    .   50247   1    
     33   .   1   .   1   5   5   G     H2'    H   1    4.350    0.01   .   1   .   .   .   .   .   5   G   H2'    .   50247   1    
     34   .   1   .   1   5   5   G     H3'    H   1    4.974    0.01   .   1   .   .   .   .   .   5   G   H3'    .   50247   1    
     35   .   1   .   1   5   5   G     H4'    H   1    4.523    0.01   .   1   .   .   .   .   .   5   G   H4'    .   50247   1    
     36   .   1   .   1   5   5   G     H5'    H   1    4.210    0.01   .   2   .   .   .   .   .   5   G   H5'    .   50247   1    
     37   .   1   .   1   5   5   G     H5''   H   1    4.710    0.01   .   2   .   .   .   .   .   5   G   H5''   .   50247   1    
     38   .   1   .   1   5   5   G     H8     H   1    8.438    0.01   .   1   .   .   .   .   .   5   G   H8     .   50247   1    
     39   .   1   .   1   5   5   G     P      P   31   -5.138   0.05   .   1   .   .   .   .   .   5   G   P      .   50247   1    
     40   .   1   .   1   6   6   G     H1'    H   1    6.167    0.01   .   1   .   .   .   .   .   6   G   H1'    .   50247   1    
     41   .   1   .   1   6   6   G     H2'    H   1    4.359    0.01   .   1   .   .   .   .   .   6   G   H2'    .   50247   1    
     42   .   1   .   1   6   6   G     H3'    H   1    4.742    0.01   .   1   .   .   .   .   .   6   G   H3'    .   50247   1    
     43   .   1   .   1   6   6   G     H4'    H   1    4.491    0.01   .   1   .   .   .   .   .   6   G   H4'    .   50247   1    
     44   .   1   .   1   6   6   G     H5'    H   1    4.139    0.01   .   2   .   .   .   .   .   6   G   H5'    .   50247   1    
     45   .   1   .   1   6   6   G     H5''   H   1    4.669    0.01   .   2   .   .   .   .   .   6   G   H5''   .   50247   1    
     46   .   1   .   1   6   6   G     H8     H   1    7.788    0.01   .   1   .   .   .   .   .   6   G   H8     .   50247   1    
     47   .   1   .   1   6   6   G     P      P   31   -4.305   0.05   .   1   .   .   .   .   .   6   G   P      .   50247   1    
     48   .   1   .   1   7   7   LLT   H1'    H   1    6.051    0.01   .   1   .   .   .   .   .   7   T   H1'    .   50247   1    
     49   .   1   .   1   7   7   LLT   H2'    H   1    2.072    0.01   .   1   .   .   .   .   .   7   T   H2'    .   50247   1    
     50   .   1   .   1   7   7   LLT   H2''   H   1    2.242    0.01   .   1   .   .   .   .   .   7   T   H2''   .   50247   1    
     51   .   1   .   1   7   7   LLT   H3'    H   1    4.456    0.01   .   1   .   .   .   .   .   7   T   H3'    .   50247   1    
     52   .   1   .   1   7   7   LLT   H4'    H   1    4.052    0.01   .   1   .   .   .   .   .   7   T   H4'    .   50247   1    
     53   .   1   .   1   7   7   LLT   H5     H   1    5.131    0.01   .   1   .   .   .   .   .   7   T   H5     .   50247   1    
     54   .   1   .   1   7   7   LLT   H5'    H   1    4.046    0.01   .   2   .   .   .   .   .   7   T   H5'    .   50247   1    
     55   .   1   .   1   7   7   LLT   H5''   H   1    4.174    0.01   .   2   .   .   .   .   .   7   T   H5''   .   50247   1    
     56   .   1   .   1   7   7   LLT   H6     H   1    7.455    0.01   .   1   .   .   .   .   .   7   T   H6     .   50247   1    
     57   .   1   .   1   7   7   LLT   H7     H   1    1.603    0.01   .   1   .   .   .   .   .   7   T   H7     .   50247   1    
     58   .   1   .   1   7   7   LLT   P      P   31   -3.889   0.05   .   1   .   .   .   .   .   7   T   P      .   50247   1    

   stop_

save_