###################################
     #  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                     50245
   _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'   .   .   .   50245   1    
     2   '2D 1H-13C HSQC'   .   .   .   50245   1    
     3   '2D 1H-31H COSY'   .   .   .   50245   1    
     4   '2D DQF-COSY'      .   .   .   50245   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   .   .   50245   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    5.325    0.01   .   1   .   .   .   .   .   1   U   H1'    .   50245   1    
     2    .   1   .   1   1   1   U   H2'    H   1    3.836    0.01   .   1   .   .   .   .   .   1   U   H2'    .   50245   1    
     3    .   1   .   1   1   1   U   H3'    H   1    4.547    0.01   .   1   .   .   .   .   .   1   U   H3'    .   50245   1    
     4    .   1   .   1   1   1   U   H4'    H   1    4.314    0.01   .   1   .   .   .   .   .   1   U   H4'    .   50245   1    
     5    .   1   .   1   1   1   U   H5     H   1    5.716    0.01   .   1   .   .   .   .   .   1   U   H5     .   50245   1    
     6    .   1   .   1   1   1   U   H5'    H   1    4.045    0.01   .   2   .   .   .   .   .   1   U   H5'    .   50245   1    
     7    .   1   .   1   1   1   U   H5''   H   1    4.214    0.01   .   2   .   .   .   .   .   1   U   H5''   .   50245   1    
     8    .   1   .   1   1   1   U   H6     H   1    7.955    0.01   .   1   .   .   .   .   .   1   U   H6     .   50245   1    
     9    .   1   .   1   1   1   U   P      P   31   -0.799   0.05   .   1   .   .   .   .   .   1   U   P      .   50245   1    
     10   .   1   .   1   2   2   G   H1'    H   1    5.896    0.01   .   1   .   .   .   .   .   2   G   H1'    .   50245   1    
     11   .   1   .   1   2   2   G   H2'    H   1    5.074    0.01   .   1   .   .   .   .   .   2   G   H2'    .   50245   1    
     12   .   1   .   1   2   2   G   H3'    H   1    4.934    0.01   .   1   .   .   .   .   .   2   G   H3'    .   50245   1    
     13   .   1   .   1   2   2   G   H4'    H   1    4.609    0.01   .   1   .   .   .   .   .   2   G   H4'    .   50245   1    
     14   .   1   .   1   2   2   G   H5'    H   1    4.159    0.01   .   2   .   .   .   .   .   2   G   H5'    .   50245   1    
     15   .   1   .   1   2   2   G   H5''   H   1    4.367    0.01   .   2   .   .   .   .   .   2   G   H5''   .   50245   1    
     16   .   1   .   1   2   2   G   H8     H   1    8.304    0.01   .   1   .   .   .   .   .   2   G   H8     .   50245   1    
     17   .   1   .   1   2   2   G   P      P   31   -5.028   0.05   .   1   .   .   .   .   .   2   G   P      .   50245   1    
     18   .   1   .   1   3   3   G   H1'    H   1    6.252    0.01   .   1   .   .   .   .   .   3   G   H1'    .   50245   1    
     19   .   1   .   1   3   3   G   H2'    H   1    4.856    0.01   .   1   .   .   .   .   .   3   G   H2'    .   50245   1    
     20   .   1   .   1   3   3   G   H3'    H   1    4.366    0.01   .   1   .   .   .   .   .   3   G   H3'    .   50245   1    
     21   .   1   .   1   3   3   G   H4'    H   1    4.727    0.01   .   1   .   .   .   .   .   3   G   H4'    .   50245   1    
     22   .   1   .   1   3   3   G   H5'    H   1    4.368    0.01   .   2   .   .   .   .   .   3   G   H5'    .   50245   1    
     23   .   1   .   1   3   3   G   H5''   H   1    4.599    0.01   .   2   .   .   .   .   .   3   G   H5''   .   50245   1    
     24   .   1   .   1   3   3   G   H8     H   1    8.164    0.01   .   1   .   .   .   .   .   3   G   H8     .   50245   1    
     25   .   1   .   1   3   3   G   P      P   31   -2.077   0.05   .   1   .   .   .   .   .   3   G   P      .   50245   1    
     26   .   1   .   1   4   4   U   H1'    H   1    5.427    0.01   .   1   .   .   .   .   .   4   U   H1'    .   50245   1    
     27   .   1   .   1   4   4   U   H2'    H   1    4.262    0.01   .   1   .   .   .   .   .   4   U   H2'    .   50245   1    
     28   .   1   .   1   4   4   U   H3'    H   1    4.382    0.01   .   1   .   .   .   .   .   4   U   H3'    .   50245   1    
     29   .   1   .   1   4   4   U   H4'    H   1    4.528    0.01   .   1   .   .   .   .   .   4   U   H4'    .   50245   1    
     30   .   1   .   1   4   4   U   H5     H   1    4.624    0.01   .   1   .   .   .   .   .   4   U   H5     .   50245   1    
     31   .   1   .   1   4   4   U   H5'    H   1    4.176    0.01   .   2   .   .   .   .   .   4   U   H5'    .   50245   1    
     32   .   1   .   1   4   4   U   H5''   H   1    4.640    0.01   .   2   .   .   .   .   .   4   U   H5''   .   50245   1    
     33   .   1   .   1   4   4   U   H6     H   1    7.320    0.01   .   1   .   .   .   .   .   4   U   H6     .   50245   1    
     34   .   1   .   1   4   4   U   P      P   31   -2.939   0.05   .   1   .   .   .   .   .   4   U   P      .   50245   1    
     35   .   1   .   1   5   5   G   H1'    H   1    5.853    0.01   .   1   .   .   .   .   .   5   G   H1'    .   50245   1    
     36   .   1   .   1   5   5   G   H2'    H   1    4.334    0.01   .   1   .   .   .   .   .   5   G   H2'    .   50245   1    
     37   .   1   .   1   5   5   G   H3'    H   1    4.976    0.01   .   1   .   .   .   .   .   5   G   H3'    .   50245   1    
     38   .   1   .   1   5   5   G   H4'    H   1    4.514    0.01   .   1   .   .   .   .   .   5   G   H4'    .   50245   1    
     39   .   1   .   1   5   5   G   H5'    H   1    4.191    0.01   .   2   .   .   .   .   .   5   G   H5'    .   50245   1    
     40   .   1   .   1   5   5   G   H5''   H   1    4.722    0.01   .   2   .   .   .   .   .   5   G   H5''   .   50245   1    
     41   .   1   .   1   5   5   G   H8     H   1    8.448    0.01   .   1   .   .   .   .   .   5   G   H8     .   50245   1    
     42   .   1   .   1   5   5   G   P      P   31   -5.026   0.05   .   1   .   .   .   .   .   5   G   P      .   50245   1    
     43   .   1   .   1   6   6   G   H1'    H   1    6.173    0.01   .   1   .   .   .   .   .   6   G   H1'    .   50245   1    
     44   .   1   .   1   6   6   G   H2'    H   1    4.308    0.01   .   1   .   .   .   .   .   6   G   H2'    .   50245   1    
     45   .   1   .   1   6   6   G   H3'    H   1    4.710    0.01   .   1   .   .   .   .   .   6   G   H3'    .   50245   1    
     46   .   1   .   1   6   6   G   H4'    H   1    4.471    0.01   .   1   .   .   .   .   .   6   G   H4'    .   50245   1    
     47   .   1   .   1   6   6   G   H5'    H   1    4.161    0.01   .   2   .   .   .   .   .   6   G   H5'    .   50245   1    
     48   .   1   .   1   6   6   G   H5''   H   1    4.675    0.01   .   2   .   .   .   .   .   6   G   H5''   .   50245   1    
     49   .   1   .   1   6   6   G   H8     H   1    7.621    0.01   .   1   .   .   .   .   .   6   G   H8     .   50245   1    
     50   .   1   .   1   6   6   G   P      P   31   -4.001   0.05   .   1   .   .   .   .   .   6   G   P      .   50245   1    
     51   .   1   .   1   7   7   C   H1'    H   1    5.808    0.01   .   1   .   .   .   .   .   7   C   H1'    .   50245   1    
     52   .   1   .   1   7   7   C   H2'    H   1    4.035    0.01   .   1   .   .   .   .   .   7   C   H2'    .   50245   1    
     53   .   1   .   1   7   7   C   H3'    H   1    4.239    0.01   .   1   .   .   .   .   .   7   C   H3'    .   50245   1    
     54   .   1   .   1   7   7   C   H4'    H   1    4.194    0.01   .   1   .   .   .   .   .   7   C   H4'    .   50245   1    
     55   .   1   .   1   7   7   C   H5     H   1    5.500    0.01   .   1   .   .   .   .   .   7   C   H5     .   50245   1    
     56   .   1   .   1   7   7   C   H5'    H   1    4.091    0.01   .   2   .   .   .   .   .   7   C   H5'    .   50245   1    
     57   .   1   .   1   7   7   C   H6     H   1    7.686    0.01   .   1   .   .   .   .   .   7   C   H6     .   50245   1    
     58   .   1   .   1   7   7   C   P      P   31   -3.633   0.05   .   1   .   .   .   .   .   7   C   P      .   50245   1    

   stop_

save_