###################################
     #  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_chem_shift_list_1
   _Assigned_chem_shift_list.Sf_category                  assigned_chemical_shifts
   _Assigned_chem_shift_list.Sf_framecode                 assigned_chem_shift_list_1
   _Assigned_chem_shift_list.Entry_ID                     21053
   _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   $chemical_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-13C HSQC'   1   $sample_1   isotropic   21053   1    
     2   '2D 1H-1H TOCSY'   1   $sample_1   isotropic   21053   1    
     3   '2D 1H-1H TOCSY'   2   $sample_2   isotropic   21053   1    
     4   '2D 1H-1H NOESY'   1   $sample_1   isotropic   21053   1    
     5   '2D 1H-1H NOESY'   2   $sample_2   isotropic   21053   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.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   SP    H21   H   1    2.158     0.005   .   1   .   .   .   .   0   SP    H21   .   21053   1    
     2    .   1   1   1   1   SP    H22   H   1    2.158     0.005   .   1   .   .   .   .   0   SP    H22   .   21053   1    
     3    .   1   1   1   1   SP    H31   H   1    1.533     0.005   .   1   .   .   .   .   0   SP    H31   .   21053   1    
     4    .   1   1   1   1   SP    H32   H   1    1.533     0.005   .   1   .   .   .   .   0   SP    H32   .   21053   1    
     5    .   1   1   1   1   SP    H41   H   1    1.275     0.009   .   4   .   .   .   .   0   SP    H41   .   21053   1    
     6    .   1   1   1   1   SP    H42   H   1    1.275     0.009   .   4   .   .   .   .   0   SP    H42   .   21053   1    
     7    .   1   1   1   1   SP    H51   H   1    1.285     0.005   .   4   .   .   .   .   0   SP    H51   .   21053   1    
     8    .   1   1   1   1   SP    H52   H   1    1.285     0.005   .   4   .   .   .   .   0   SP    H52   .   21053   1    
     9    .   1   1   1   1   SP    H61   H   1    1.286     0.005   .   4   .   .   .   .   0   SP    H61   .   21053   1    
     10   .   1   1   1   1   SP    H62   H   1    1.286     0.005   .   4   .   .   .   .   0   SP    H62   .   21053   1    
     11   .   1   1   1   1   SP    H71   H   1    1.286     0.005   .   1   .   .   .   .   0   SP    H71   .   21053   1    
     12   .   1   1   1   1   SP    H72   H   1    1.286     0.005   .   1   .   .   .   .   0   SP    H72   .   21053   1    
     13   .   1   1   1   1   SP    H81   H   1    1.523     0.005   .   1   .   .   .   .   0   SP    H81   .   21053   1    
     14   .   1   1   1   1   SP    H82   H   1    1.523     0.005   .   1   .   .   .   .   0   SP    H82   .   21053   1    
     15   .   1   1   1   1   SP    H91   H   1    3.882     0.005   .   2   .   .   .   .   0   SP    H91   .   21053   1    
     16   .   1   1   1   1   SP    H92   H   1    3.556     0.005   .   2   .   .   .   .   0   SP    H92   .   21053   1    
     17   .   1   1   1   1   SP    C2    C   13   40.287    0.050   .   1   .   .   .   .   0   SP    C2    .   21053   1    
     18   .   1   1   1   1   SP    C3    C   13   28.611    0.050   .   1   .   .   .   .   0   SP    C3    .   21053   1    
     19   .   1   1   1   1   SP    C4    C   13   31.424    0.050   .   4   .   .   .   .   0   SP    C4    .   21053   1    
     20   .   1   1   1   1   SP    C5    C   13   31.350    0.050   .   4   .   .   .   .   0   SP    C5    .   21053   1    
     21   .   1   1   1   1   SP    C6    C   13   30.921    0.050   .   4   .   .   .   .   0   SP    C6    .   21053   1    
     22   .   1   1   1   1   SP    C7    C   13   27.758    0.050   .   1   .   .   .   .   0   SP    C7    .   21053   1    
     23   .   1   1   1   1   SP    C8    C   13   31.221    0.050   .   1   .   .   .   .   0   SP    C8    .   21053   1    
     24   .   1   1   1   1   SP    C9    C   13   73.367    0.050   .   1   .   .   .   .   0   SP    C9    .   21053   1    
     25   .   1   1   2   2   MAG   H1    H   1    4.465     0.005   .   1   .   .   .   .   1   MAG   H1    .   21053   1    
     26   .   1   1   2   2   MAG   H2    H   1    3.890     0.005   .   1   .   .   .   .   1   MAG   H2    .   21053   1    
     27   .   1   1   2   2   MAG   H3    H   1    3.797     0.005   .   1   .   .   .   .   1   MAG   H3    .   21053   1    
     28   .   1   1   2   2   MAG   H4    H   1    3.877     0.005   .   1   .   .   .   .   1   MAG   H4    .   21053   1    
     29   .   1   1   2   2   MAG   H5    H   1    3.492     0.005   .   1   .   .   .   .   1   MAG   H5    .   21053   1    
     30   .   1   1   2   2   MAG   H61   H   1    3.914     0.005   .   2   .   .   .   .   1   MAG   H61   .   21053   1    
     31   .   1   1   2   2   MAG   H62   H   1    3.728     0.005   .   2   .   .   .   .   1   MAG   H62   .   21053   1    
     32   .   1   1   2   2   MAG   H81   H   1    2.012     0.005   .   1   .   .   .   .   1   MAG   H81   .   21053   1    
     33   .   1   1   2   2   MAG   H82   H   1    2.012     0.005   .   1   .   .   .   .   1   MAG   H82   .   21053   1    
     34   .   1   1   2   2   MAG   H83   H   1    2.012     0.005   .   1   .   .   .   .   1   MAG   H83   .   21053   1    
     35   .   1   1   2   2   MAG   HN2   H   1    8.555     0.005   .   1   .   .   .   .   1   MAG   HN2   .   21053   1    
     36   .   1   1   2   2   MAG   C1    C   13   103.622   0.050   .   1   .   .   .   .   1   MAG   C1    .   21053   1    
     37   .   1   1   2   2   MAG   C2    C   13   58.384    0.050   .   1   .   .   .   .   1   MAG   C2    .   21053   1    
     38   .   1   1   2   2   MAG   C3    C   13   77.340    0.050   .   1   .   .   .   .   1   MAG   C3    .   21053   1    
     39   .   1   1   2   2   MAG   C4    C   13   75.930    0.050   .   1   .   .   .   .   1   MAG   C4    .   21053   1    
     40   .   1   1   2   2   MAG   C5    C   13   77.923    0.050   .   1   .   .   .   .   1   MAG   C5    .   21053   1    
     41   .   1   1   2   2   MAG   C6    C   13   62.558    0.050   .   1   .   .   .   .   1   MAG   C6    .   21053   1    
     42   .   1   1   2   2   MAG   C7    C   13   176.879   0.050   .   1   .   .   .   .   1   MAG   C7    .   21053   1    
     43   .   1   1   2   2   MAG   C8    C   13   24.885    0.050   .   1   .   .   .   .   1   MAG   C8    .   21053   1    
     44   .   1   1   3   3   A2G   H1    H   1    4.447     0.005   .   1   .   .   .   .   2   A2G   H1    .   21053   1    
     45   .   1   1   3   3   A2G   H2    H   1    3.985     0.005   .   1   .   .   .   .   2   A2G   H2    .   21053   1    
     46   .   1   1   3   3   A2G   H3    H   1    3.698     0.005   .   1   .   .   .   .   2   A2G   H3    .   21053   1    
     47   .   1   1   3   3   A2G   H4    H   1    3.889     0.005   .   1   .   .   .   .   2   A2G   H4    .   21053   1    
     48   .   1   1   3   3   A2G   H5    H   1    3.564     0.005   .   1   .   .   .   .   2   A2G   H5    .   21053   1    
     49   .   1   1   3   3   A2G   H61   H   1    3.756     0.005   .   2   .   .   .   .   2   A2G   H61   .   21053   1    
     50   .   1   1   3   3   A2G   H62   H   1    3.711     0.005   .   2   .   .   .   .   2   A2G   H62   .   21053   1    
     51   .   1   1   3   3   A2G   H81   H   1    2.034     0.005   .   1   .   .   .   .   2   A2G   H81   .   21053   1    
     52   .   1   1   3   3   A2G   H82   H   1    2.034     0.005   .   1   .   .   .   .   2   A2G   H82   .   21053   1    
     53   .   1   1   3   3   A2G   H83   H   1    2.034     0.005   .   1   .   .   .   .   2   A2G   H83   .   21053   1    
     54   .   1   1   3   3   A2G   HN2   H   1    8.460     0.005   .   1   .   .   .   .   2   A2G   HN2   .   21053   1    
     55   .   1   1   3   3   A2G   C1    C   13   103.432   0.050   .   1   .   .   .   .   2   A2G   C1    .   21053   1    
     56   .   1   1   3   3   A2G   C2    C   13   54.930    0.050   .   1   .   .   .   .   2   A2G   C2    .   21053   1    
     57   .   1   1   3   3   A2G   C3    C   13   73.389    0.050   .   1   .   .   .   .   2   A2G   C3    .   21053   1    
     58   .   1   1   3   3   A2G   C4    C   13   70.016    0.050   .   1   .   .   .   .   2   A2G   C4    .   21053   1    
     59   .   1   1   3   3   A2G   C5    C   13   77.561    0.050   .   1   .   .   .   .   2   A2G   C5    .   21053   1    
     60   .   1   1   3   3   A2G   C6    C   13   64.245    0.050   .   1   .   .   .   .   2   A2G   C6    .   21053   1    
     61   .   1   1   3   3   A2G   C7    C   13   177.608   0.050   .   1   .   .   .   .   2   A2G   C7    .   21053   1    
     62   .   1   1   3   3   A2G   C8    C   13   24.818    0.050   .   1   .   .   .   .   2   A2G   C8    .   21053   1    
     63   .   1   1   4   4   FUC   H1    H   1    5.112     0.005   .   1   .   .   .   .   3   FUC   H1    .   21053   1    
     64   .   1   1   4   4   FUC   H2    H   1    3.673     0.005   .   1   .   .   .   .   3   FUC   H2    .   21053   1    
     65   .   1   1   4   4   FUC   H3    H   1    3.939     0.005   .   1   .   .   .   .   3   FUC   H3    .   21053   1    
     66   .   1   1   4   4   FUC   H4    H   1    3.823     0.005   .   1   .   .   .   .   3   FUC   H4    .   21053   1    
     67   .   1   1   4   4   FUC   H5    H   1    4.887     0.005   .   1   .   .   .   .   3   FUC   H5    .   21053   1    
     68   .   1   1   4   4   FUC   H61   H   1    1.259     0.005   .   1   .   .   .   .   3   FUC   H61   .   21053   1    
     69   .   1   1   4   4   FUC   H62   H   1    1.259     0.005   .   1   .   .   .   .   3   FUC   H62   .   21053   1    
     70   .   1   1   4   4   FUC   H63   H   1    1.259     0.005   .   1   .   .   .   .   3   FUC   H63   .   21053   1    
     71   .   1   1   4   4   FUC   C1    C   13   101.288   0.050   .   1   .   .   .   .   3   FUC   C1    .   21053   1    
     72   .   1   1   4   4   FUC   C2    C   13   70.281    0.050   .   1   .   .   .   .   3   FUC   C2    .   21053   1    
     73   .   1   1   4   4   FUC   C3    C   13   71.766    0.050   .   1   .   .   .   .   3   FUC   C3    .   21053   1    
     74   .   1   1   4   4   FUC   C4    C   13   74.633    0.050   .   1   .   .   .   .   3   FUC   C4    .   21053   1    
     75   .   1   1   4   4   FUC   C5    C   13   69.647    0.050   .   1   .   .   .   .   3   FUC   C5    .   21053   1    
     76   .   1   1   4   4   FUC   C6    C   13   18.048    0.050   .   1   .   .   .   .   3   FUC   C6    .   21053   1    

   stop_

   loop_
      _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID
      _Ambiguous_atom_chem_shift.Atom_chem_shift_ID
      _Ambiguous_atom_chem_shift.Entry_ID
      _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID

     1   5    21053   1    
     1   6    21053   1    
     1   7    21053   1    
     1   8    21053   1    
     1   9    21053   1    
     1   10   21053   1    
     2   19   21053   1    
     2   20   21053   1    
     2   21   21053   1    

   stop_

save_