###################################
     #  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_chemical_shift_set_1
   _Assigned_chem_shift_list.Sf_category                  assigned_chemical_shifts
   _Assigned_chem_shift_list.Sf_framecode                 chemical_shift_set_1
   _Assigned_chem_shift_list.Entry_ID                     5370
   _Assigned_chem_shift_list.ID                           1
   _Assigned_chem_shift_list.Sample_condition_list_ID     1
   _Assigned_chem_shift_list.Sample_condition_list_label  $sample_cond_1
   _Assigned_chem_shift_list.Chem_shift_reference_ID      1
   _Assigned_chem_shift_list.Chem_shift_reference_label   $chemical_shift_reference
   _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   $sample_1   .   5370   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    DC   H5     H   1   5.95    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     2    .   1   1   1    1    DC   H1'    H   1   5.98    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     3    .   1   1   1    1    DC   H2'    H   1   2.03    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     4    .   1   1   1    1    DC   H2''   H   1   2.48    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     5    .   1   1   1    1    DC   H3'    H   1   4.66    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     6    .   1   1   1    1    DC   H4'    H   1   4.09    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     7    .   1   1   1    1    DC   H41    H   1   7.91    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     8    .   1   1   1    1    DC   H42    H   1   6.93    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     9    .   1   1   1    1    DC   H6     H   1   7.72    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     10   .   1   1   2    2    DC   H5     H   1   5.74    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     11   .   1   1   2    2    DC   H1'    H   1   5.28    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     12   .   1   1   2    2    DC   H2'    H   1   1.83    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     13   .   1   1   2    2    DC   H2''   H   1   2.13    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     14   .   1   1   2    2    DC   H3'    H   1   4.78    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     15   .   1   1   2    2    DC   H4'    H   1   4.01    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     16   .   1   1   2    2    DC   H41    H   1   8.73    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     17   .   1   1   2    2    DC   H42    H   1   6.81    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     18   .   1   1   2    2    DC   H6     H   1   7.47    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     19   .   1   1   3    3    DA   H2     H   1   7.41    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     20   .   1   1   3    3    DA   H1'    H   1   5.56    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     21   .   1   1   3    3    DA   H2'    H   1   2.76    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     22   .   1   1   3    3    DA   H2''   H   1   2.76    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     23   .   1   1   3    3    DA   H3'    H   1   5.01    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     24   .   1   1   3    3    DA   H4'    H   1   4.32    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     25   .   1   1   3    3    DA   H8     H   1   8.25    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     26   .   1   1   4    4    DA   H2     H   1   7.31    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     27   .   1   1   4    4    DA   H1'    H   1   5.48    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     28   .   1   1   4    4    DA   H2'    H   1   2.76    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     29   .   1   1   4    4    DA   H2''   H   1   2.71    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     30   .   1   1   4    4    DA   H3'    H   1   5.05    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     31   .   1   1   4    4    DA   H4'    H   1   4.35    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     32   .   1   1   4    4    DA   H8     H   1   8.19    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     33   .   1   1   5    5    DA   H2     H   1   7.66    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     34   .   1   1   5    5    DA   H1'    H   1   5.94    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     35   .   1   1   5    5    DA   H2'    H   1   2.63    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     36   .   1   1   5    5    DA   H2''   H   1   2.71    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     37   .   1   1   5    5    DA   H3'    H   1   4.98    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     38   .   1   1   5    5    DA   H4'    H   1   4.15    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     39   .   1   1   5    5    DA   H8     H   1   8.08    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     40   .   1   1   6    6    DG   H1'    H   1   5.11    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     41   .   1   1   6    6    DG   H2'    H   1   1.93    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     42   .   1   1   6    6    DG   H2''   H   1   2.54    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     43   .   1   1   6    6    DG   H3'    H   1   4.72    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     44   .   1   1   6    6    DG   H4'    H   1   3.28    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     45   .   1   1   6    6    DG   H1     H   1   12.54   0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     46   .   1   1   6    6    DG   H21    H   1   7.76    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     47   .   1   1   6    6    DG   H8     H   1   7.13    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     48   .   1   1   7    7    DA   H2     H   1   8.04    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     49   .   1   1   7    7    DA   H1'    H   1   5.56    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     50   .   1   1   7    7    DA   H2'    H   1   2.06    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     51   .   1   1   7    7    DA   H2''   H   1   2.63    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     52   .   1   1   7    7    DA   H3'    H   1   4.74    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     53   .   1   1   7    7    DA   H4'    H   1   3.04    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     54   .   1   1   7    7    DA   H8     H   1   7.62    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     55   .   1   1   8    8    DG   H1'    H   1   5.42    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     56   .   1   1   8    8    DG   H2'    H   1   2.41    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     57   .   1   1   8    8    DG   H2''   H   1   2.48    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     58   .   1   1   8    8    DG   H3'    H   1   4.90    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     59   .   1   1   8    8    DG   H4'    H   1   4.03    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     60   .   1   1   8    8    DG   H1     H   1   12.23   0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     61   .   1   1   8    8    DG   H21    H   1   6.58    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     62   .   1   1   8    8    DG   H8     H   1   7.43    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     63   .   1   1   9    9    DA   H2     H   1   7.61    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     64   .   1   1   9    9    DA   H1'    H   1   5.40    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     65   .   1   1   9    9    DA   H2'    H   1   2.19    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     66   .   1   1   9    9    DA   H2''   H   1   2.70    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     67   .   1   1   9    9    DA   H3'    H   1   4.91    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     68   .   1   1   9    9    DA   H4'    H   1   3.82    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     69   .   1   1   9    9    DA   H8     H   1   7.93    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     70   .   1   1   10   10   DA   H2     H   1   7.94    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     71   .   1   1   10   10   DA   H1'    H   1   6.04    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     72   .   1   1   10   10   DA   H2'    H   1   2.56    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     73   .   1   1   10   10   DA   H2''   H   1   2.73    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     74   .   1   1   10   10   DA   H3'    H   1   5.02    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     75   .   1   1   10   10   DA   H4'    H   1   4.27    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     76   .   1   1   10   10   DA   H8     H   1   7.91    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     77   .   1   1   11   11   DG   H1'    H   1   5.39    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     78   .   1   1   11   11   DG   H2'    H   1   2.03    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     79   .   1   1   11   11   DG   H2''   H   1   2.15    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     80   .   1   1   11   11   DG   H3'    H   1   4.63    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     81   .   1   1   11   11   DG   H4'    H   1   3.52    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     82   .   1   1   11   11   DG   H1     H   1   12.57   0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     83   .   1   1   11   11   DG   H21    H   1   8.12    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     84   .   1   1   11   11   DG   H8     H   1   7.20    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     85   .   1   1   12   12   DC   H5     H   1   4.91    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     86   .   1   1   12   12   DC   H1'    H   1   4.85    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     87   .   1   1   12   12   DC   H2'    H   1   1.41    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     88   .   1   1   12   12   DC   H2''   H   1   1.83    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     89   .   1   1   12   12   DC   H3'    H   1   4.62    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     90   .   1   1   12   12   DC   H4'    H   1   3.28    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     91   .   1   1   12   12   DC   H41    H   1   8.16    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     92   .   1   1   12   12   DC   H42    H   1   6.11    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     93   .   1   1   12   12   DC   H6     H   1   6.96    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     94   .   1   1   13   13   DG   H1'    H   1   6.18    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     95   .   1   1   13   13   DG   H2'    H   1   2.36    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     96   .   1   1   13   13   DG   H2''   H   1   2.64    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     97   .   1   1   13   13   DG   H3'    H   1   4.69    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     98   .   1   1   13   13   DG   H4'    H   1   4.20    0.005   .   1   .   .   .   .   .   .   .   .   5370   1    
     99   .   1   1   13   13   DG   H8     H   1   7.87    0.005   .   1   .   .   .   .   .   .   .   .   5370   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_chemical_shift_set_2
   _Assigned_chem_shift_list.Sf_category                  assigned_chemical_shifts
   _Assigned_chem_shift_list.Sf_framecode                 chemical_shift_set_2
   _Assigned_chem_shift_list.Entry_ID                     5370
   _Assigned_chem_shift_list.ID                           2
   _Assigned_chem_shift_list.Sample_condition_list_ID     1
   _Assigned_chem_shift_list.Sample_condition_list_label  $sample_cond_1
   _Assigned_chem_shift_list.Chem_shift_reference_ID      1
   _Assigned_chem_shift_list.Chem_shift_reference_label   $chemical_shift_reference
   _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   $sample_1   .   5370   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.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     .   2   2   1    1    DC   H5     H   1   5.89    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     2     .   2   2   1    1    DC   H1'    H   1   5.76    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     3     .   2   2   1    1    DC   H2'    H   1   1.70    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     4     .   2   2   1    1    DC   H2''   H   1   2.33    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     5     .   2   2   1    1    DC   H3'    H   1   4.67    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     6     .   2   2   1    1    DC   H4'    H   1   4.04    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     7     .   2   2   1    1    DC   H41    H   1   8.35    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     8     .   2   2   1    1    DC   H42    H   1   7.02    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     9     .   2   2   1    1    DC   H6     H   1   7.58    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     10    .   2   2   2    2    DG   H1'    H   1   5.96    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     11    .   2   2   2    2    DG   H2'    H   1   2.68    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     12    .   2   2   2    2    DG   H2''   H   1   2.79    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     13    .   2   2   2    2    DG   H3'    H   1   4.99    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     14    .   2   2   2    2    DG   H4'    H   1   4.38    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     15    .   2   2   2    2    DG   H1     H   1   13.28   0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     16    .   2   2   2    2    DG   H21    H   1   7.23    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     17    .   2   2   2    2    DG   H8     H   1   7.92    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     18    .   2   2   3    3    DC   H5     H   1   5.39    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     19    .   2   2   3    3    DC   H1'    H   1   6.04    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     20    .   2   2   3    3    DC   H2'    H   1   2.06    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     21    .   2   2   3    3    DC   H2''   H   1   2.61    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     22    .   2   2   3    3    DC   H3'    H   1   4.67    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     23    .   2   2   3    3    DC   H4'    H   1   4.35    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     24    .   2   2   3    3    DC   H41    H   1   7.96    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     25    .   2   2   3    3    DC   H42    H   1   6.42    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     26    .   2   2   3    3    DC   H6     H   1   7.44    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     27    .   2   2   4    4    DT   H71    H   1   1.52    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     28    .   2   2   4    4    DT   H72    H   1   1.52    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     29    .   2   2   4    4    DT   H73    H   1   1.52    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     30    .   2   2   4    4    DT   H1'    H   1   5.85    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     31    .   2   2   4    4    DT   H2'    H   1   1.78    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     32    .   2   2   4    4    DT   H2''   H   1   2.50    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     33    .   2   2   4    4    DT   H3'    H   1   4.65    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     34    .   2   2   4    4    DT   H4'    H   1   3.45    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     35    .   2   2   4    4    DT   H3     H   1   14.53   0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     36    .   2   2   4    4    DT   H6     H   1   7.26    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     37    .   2   2   5    5    DT   H71    H   1   1.57    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     38    .   2   2   5    5    DT   H72    H   1   1.57    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     39    .   2   2   5    5    DT   H73    H   1   1.57    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     40    .   2   2   5    5    DT   H1'    H   1   5.76    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     41    .   2   2   5    5    DT   H2'    H   1   1.91    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     42    .   2   2   5    5    DT   H2''   H   1   2.49    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     43    .   2   2   5    5    DT   H3'    H   1   4.67    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     44    .   2   2   5    5    DT   H4'    H   1   3.40    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     45    .   2   2   5    5    DT   H3     H   1   14.47   0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     46    .   2   2   5    5    DT   H6     H   1   7.17    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     47    .   2   2   6    6    DC   H5     H   1   5.53    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     48    .   2   2   6    6    DC   H1'    H   1   6.17    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     49    .   2   2   6    6    DC   H2'    H   1   2.15    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     50    .   2   2   6    6    DC   H2''   H   1   2.43    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     51    .   2   2   6    6    DC   H3'    H   1   4.88    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     52    .   2   2   6    6    DC   H4'    H   1   3.99    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     53    .   2   2   6    6    DC   H41    H   1   8.25    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     54    .   2   2   6    6    DC   H42    H   1   6.69    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     55    .   2   2   6    6    DC   H6     H   1   7.53    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     56    .   2   2   7    7    DT   H71    H   1   1.52    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     57    .   2   2   7    7    DT   H72    H   1   1.52    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     58    .   2   2   7    7    DT   H73    H   1   1.52    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     59    .   2   2   7    7    DT   H1'    H   1   5.44    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     60    .   2   2   7    7    DT   H2'    H   1   1.91    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     61    .   2   2   7    7    DT   H2''   H   1   2.37    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     62    .   2   2   7    7    DT   H3'    H   1   4.70    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     63    .   2   2   7    7    DT   H4'    H   1   3.41    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     64    .   2   2   7    7    DT   H3     H   1   14.41   0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     65    .   2   2   7    7    DT   H6     H   1   7.13    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     66    .   2   2   8    8    DC   H5     H   1   5.44    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     67    .   2   2   8    8    DC   H1'    H   1   6.10    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     68    .   2   2   8    8    DC   H2'    H   1   2.15    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     69    .   2   2   8    8    DC   H2''   H   1   2.45    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     70    .   2   2   8    8    DC   H3'    H   1   4.71    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     71    .   2   2   8    8    DC   H4'    H   1   4.06    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     72    .   2   2   8    8    DC   H41    H   1   7.86    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     73    .   2   2   8    8    DC   H42    H   1   6.56    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     74    .   2   2   8    8    DC   H6     H   1   7.52    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     75    .   2   2   9    9    DT   H71    H   1   1.48    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     76    .   2   2   9    9    DT   H72    H   1   1.48    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     77    .   2   2   9    9    DT   H73    H   1   1.48    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     78    .   2   2   9    9    DT   H1'    H   1   5.68    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     79    .   2   2   9    9    DT   H2'    H   1   1.93    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     80    .   2   2   9    9    DT   H2''   H   1   2.44    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     81    .   2   2   9    9    DT   H3'    H   1   4.68    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     82    .   2   2   9    9    DT   H4'    H   1   3.04    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     83    .   2   2   9    9    DT   H3     H   1   14.19   0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     84    .   2   2   9    9    DT   H6     H   1   7.16    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     85    .   2   2   10   10   DT   H71    H   1   1.70    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     86    .   2   2   10   10   DT   H72    H   1   1.70    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     87    .   2   2   10   10   DT   H73    H   1   1.70    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     88    .   2   2   10   10   DT   H1'    H   1   5.56    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     89    .   2   2   10   10   DT   H2'    H   1   1.78    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     90    .   2   2   10   10   DT   H2''   H   1   2.29    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     91    .   2   2   10   10   DT   H3'    H   1   4.62    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     92    .   2   2   10   10   DT   H4'    H   1   3.08    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     93    .   2   2   10   10   DT   H3     H   1   13.93   0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     94    .   2   2   10   10   DT   H6     H   1   7.26    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     95    .   2   2   11   11   DT   H71    H   1   1.69    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     96    .   2   2   11   11   DT   H72    H   1   1.69    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     97    .   2   2   11   11   DT   H73    H   1   1.69    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     98    .   2   2   11   11   DT   H1'    H   1   5.63    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     99    .   2   2   11   11   DT   H2'    H   1   1.88    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     100   .   2   2   11   11   DT   H2''   H   1   2.13    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     101   .   2   2   11   11   DT   H3'    H   1   4.86    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     102   .   2   2   11   11   DT   H4'    H   1   3.94    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     103   .   2   2   11   11   DT   H3     H   1   14.03   0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     104   .   2   2   11   11   DT   H6     H   1   7.20    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     105   .   2   2   12   12   DG   H1'    H   1   5.55    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     106   .   2   2   12   12   DG   H2'    H   1   2.70    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     107   .   2   2   12   12   DG   H2''   H   1   2.70    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     108   .   2   2   12   12   DG   H3'    H   1   4.97    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     109   .   2   2   12   12   DG   H4'    H   1   4.33    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     110   .   2   2   12   12   DG   H1     H   1   12.96   0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     111   .   2   2   12   12   DG   H21    H   1   6.81    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     112   .   2   2   12   12   DG   H8     H   1   7.90    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     113   .   2   2   13   13   DG   H1'    H   1   6.19    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     114   .   2   2   13   13   DG   H2'    H   1   2.39    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     115   .   2   2   13   13   DG   H2''   H   1   2.54    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     116   .   2   2   13   13   DG   H3'    H   1   4.65    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     117   .   2   2   13   13   DG   H4'    H   1   4.20    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    
     118   .   2   2   13   13   DG   H8     H   1   7.85    0.005   .   1   .   .   .   .   .   .   .   .   5370   2    

   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_chemical_shift_set_3
   _Assigned_chem_shift_list.Sf_category                  assigned_chemical_shifts
   _Assigned_chem_shift_list.Sf_framecode                 chemical_shift_set_3
   _Assigned_chem_shift_list.Entry_ID                     5370
   _Assigned_chem_shift_list.ID                           3
   _Assigned_chem_shift_list.Sample_condition_list_ID     1
   _Assigned_chem_shift_list.Sample_condition_list_label  $sample_cond_1
   _Assigned_chem_shift_list.Chem_shift_reference_ID      1
   _Assigned_chem_shift_list.Chem_shift_reference_label   $chemical_shift_reference
   _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   $sample_1   .   5370   3    

   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    .   3   3   1   1   P11   H5     H   1   7.33    0.005   .   1   .   .   .   .   .   .   .   .   5370   3    
     2    .   3   3   1   1   P11   H31    H   1   4.12    0.005   .   1   .   .   .   .   .   .   .   .   5370   3    
     3    .   3   3   1   1   P11   H32    H   1   4.12    0.005   .   1   .   .   .   .   .   .   .   .   5370   3    
     4    .   3   3   1   1   P11   H33    H   1   4.12    0.005   .   1   .   .   .   .   .   .   .   .   5370   3    
     5    .   3   3   1   1   P11   HN1    H   1   9.65    0.005   .   1   .   .   .   .   .   .   .   .   5370   3    
     6    .   3   3   1   1   P11   H4     H   1   7.21    0.005   .   1   .   .   .   .   .   .   .   .   5370   3    
     7    .   3   3   1   1   P11   H8     H   1   6.77    0.005   .   1   .   .   .   .   .   .   .   .   5370   3    
     8    .   3   3   1   1   P11   H10    H   1   7.77    0.005   .   1   .   .   .   .   .   .   .   .   5370   3    
     9    .   3   3   1   1   P11   H111   H   1   4.03    0.005   .   1   .   .   .   .   .   .   .   .   5370   3    
     10   .   3   3   1   1   P11   H112   H   1   4.03    0.005   .   1   .   .   .   .   .   .   .   .   5370   3    
     11   .   3   3   1   1   P11   H113   H   1   4.03    0.005   .   1   .   .   .   .   .   .   .   .   5370   3    
     12   .   3   3   1   1   P11   HN4    H   1   8.24    0.005   .   1   .   .   .   .   .   .   .   .   5370   3    
     13   .   3   3   1   1   P11   H131   H   1   2.91    0.005   .   1   .   .   .   .   .   .   .   .   5370   3    
     14   .   3   3   1   1   P11   H132   H   1   2.94    0.005   .   1   .   .   .   .   .   .   .   .   5370   3    
     15   .   3   3   1   1   P11   H141   H   1   3.70    0.005   .   1   .   .   .   .   .   .   .   .   5370   3    
     16   .   3   3   1   1   P11   H142   H   1   4.01    0.005   .   1   .   .   .   .   .   .   .   .   5370   3    
     17   .   3   3   1   1   P11   HN6    H   1   9.87    0.005   .   1   .   .   .   .   .   .   .   .   5370   3    
     18   .   3   3   1   1   P11   H19    H   1   7.62    0.005   .   1   .   .   .   .   .   .   .   .   5370   3    
     19   .   3   3   1   1   P11   H171   H   1   4.12    0.005   .   1   .   .   .   .   .   .   .   .   5370   3    
     20   .   3   3   1   1   P11   H172   H   1   4.12    0.005   .   1   .   .   .   .   .   .   .   .   5370   3    
     21   .   3   3   1   1   P11   H173   H   1   4.12    0.005   .   1   .   .   .   .   .   .   .   .   5370   3    
     22   .   3   3   1   1   P11   HN7    H   1   8.35    0.005   .   1   .   .   .   .   .   .   .   .   5370   3    
     23   .   3   3   1   1   P11   H211   H   1   2.56    0.005   .   1   .   .   .   .   .   .   .   .   5370   3    
     24   .   3   3   1   1   P11   H212   H   1   3.04    0.005   .   1   .   .   .   .   .   .   .   .   5370   3    
     25   .   3   3   1   1   P11   H221   H   1   3.61    0.005   .   1   .   .   .   .   .   .   .   .   5370   3    
     26   .   3   3   1   1   P11   H222   H   1   4.13    0.005   .   1   .   .   .   .   .   .   .   .   5370   3    
     27   .   3   3   1   1   P11   H10N   H   1   11.14   0.005   .   1   .   .   .   .   .   .   .   .   5370   3    
     28   .   3   3   1   1   P11   H27    H   1   7.73    0.005   .   1   .   .   .   .   .   .   .   .   5370   3    
     29   .   3   3   1   1   P11   H251   H   1   4.14    0.005   .   1   .   .   .   .   .   .   .   .   5370   3    
     30   .   3   3   1   1   P11   H252   H   1   4.14    0.005   .   1   .   .   .   .   .   .   .   .   5370   3    
     31   .   3   3   1   1   P11   H253   H   1   4.14    0.005   .   1   .   .   .   .   .   .   .   .   5370   3    
     32   .   3   3   1   1   P11   H11N   H   1   9.26    0.005   .   1   .   .   .   .   .   .   .   .   5370   3    
     33   .   3   3   1   1   P11   H30    H   1   6.46    0.005   .   1   .   .   .   .   .   .   .   .   5370   3    
     34   .   3   3   1   1   P11   H331   H   1   3.94    0.005   .   1   .   .   .   .   .   .   .   .   5370   3    
     35   .   3   3   1   1   P11   H332   H   1   3.94    0.005   .   1   .   .   .   .   .   .   .   .   5370   3    
     36   .   3   3   1   1   P11   H333   H   1   3.94    0.005   .   1   .   .   .   .   .   .   .   .   5370   3    
     37   .   3   3   1   1   P11   H14N   H   1   8.08    0.005   .   1   .   .   .   .   .   .   .   .   5370   3    
     38   .   3   3   1   1   P11   H351   H   1   2.42    0.005   .   1   .   .   .   .   .   .   .   .   5370   3    
     39   .   3   3   1   1   P11   H352   H   1   2.65    0.005   .   1   .   .   .   .   .   .   .   .   5370   3    
     40   .   3   3   1   1   P11   H361   H   1   3.43    0.005   .   1   .   .   .   .   .   .   .   .   5370   3    
     41   .   3   3   1   1   P11   H362   H   1   3.53    0.005   .   1   .   .   .   .   .   .   .   .   5370   3    
     42   .   3   3   1   1   P11   H16N   H   1   8.66    0.005   .   1   .   .   .   .   .   .   .   .   5370   3    
     43   .   3   3   1   1   P11   H371   H   1   3.12    0.005   .   1   .   .   .   .   .   .   .   .   5370   3    
     44   .   3   3   1   1   P11   H372   H   1   3.38    0.005   .   1   .   .   .   .   .   .   .   .   5370   3    
     45   .   3   3   1   1   P11   H381   H   1   1.94    0.005   .   1   .   .   .   .   .   .   .   .   5370   3    
     46   .   3   3   1   1   P11   H382   H   1   1.94    0.005   .   1   .   .   .   .   .   .   .   .   5370   3    
     47   .   3   3   1   1   P11   H17N   H   1   8.66    0.005   .   1   .   .   .   .   .   .   .   .   5370   3    
     48   .   3   3   1   1   P11   H391   H   1   3.12    0.005   .   1   .   .   .   .   .   .   .   .   5370   3    
     49   .   3   3   1   1   P11   H392   H   1   3.18    0.005   .   1   .   .   .   .   .   .   .   .   5370   3    
     50   .   3   3   1   1   P11   H401   H   1   2.90    0.005   .   1   .   .   .   .   .   .   .   .   5370   3    
     51   .   3   3   1   1   P11   H402   H   1   2.90    0.005   .   1   .   .   .   .   .   .   .   .   5370   3    
     52   .   3   3   1   1   P11   H403   H   1   2.90    0.005   .   1   .   .   .   .   .   .   .   .   5370   3    
     53   .   3   3   1   1   P11   H411   H   1   2.90    0.005   .   1   .   .   .   .   .   .   .   .   5370   3    
     54   .   3   3   1   1   P11   H412   H   1   2.90    0.005   .   1   .   .   .   .   .   .   .   .   5370   3    
     55   .   3   3   1   1   P11   H413   H   1   2.90    0.005   .   1   .   .   .   .   .   .   .   .   5370   3    

   stop_

save_