###################################
     #  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                     19759
   _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_all
   _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            0.005
   _Assigned_chem_shift_list.Chem_shift_13C_err           0.03
   _Assigned_chem_shift_list.Chem_shift_15N_err           0.05
   _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

     3   '2D 1H-15N HSQC'   .   .   .   19759   1    
     4   '2D 1H-13C HSQC'   .   .   .   19759   1    
     5   '2D 1H-1H TOCSY'   .   .   .   19759   1    
     6   '2D 1H-1H COSY'    .   .   .   19759   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   2    2    PRO   HA     H   1    4.69     0.005   .   1   .   .   .   A   2     PRO   HA     .   19759   1    
     2     .   1   1   2    2    PRO   HB2    H   1    2.36     0.005   .   2   .   .   .   A   2     PRO   HB2    .   19759   1    
     3     .   1   1   2    2    PRO   HB3    H   1    1.93     0.005   .   2   .   .   .   A   2     PRO   HB3    .   19759   1    
     4     .   1   1   2    2    PRO   HG2    H   1    1.99     0.005   .   2   .   .   .   A   2     PRO   HG2    .   19759   1    
     5     .   1   1   2    2    PRO   HG3    H   1    1.99     0.005   .   2   .   .   .   A   2     PRO   HG3    .   19759   1    
     6     .   1   1   2    2    PRO   HD2    H   1    3.64     0.005   .   2   .   .   .   A   2     PRO   HD2    .   19759   1    
     7     .   1   1   2    2    PRO   HD3    H   1    3.64     0.005   .   2   .   .   .   A   2     PRO   HD3    .   19759   1    
     8     .   1   1   2    2    PRO   CA     C   13   61.04    0.03    .   1   .   .   .   A   2     PRO   CA     .   19759   1    
     9     .   1   1   2    2    PRO   CB     C   13   31.40    0.03    .   1   .   .   .   A   2     PRO   CB     .   19759   1    
     10    .   1   1   2    2    PRO   CG     C   13   27.00    0.03    .   1   .   .   .   A   2     PRO   CG     .   19759   1    
     11    .   1   1   2    2    PRO   CD     C   13   51.46    0.03    .   1   .   .   .   A   2     PRO   CD     .   19759   1    
     12    .   1   1   3    3    PRO   HA     H   1    4.65     0.005   .   1   .   .   .   A   3     PRO   HA     .   19759   1    
     13    .   1   1   3    3    PRO   HB2    H   1    2.34     0.005   .   2   .   .   .   A   3     PRO   HB2    .   19759   1    
     14    .   1   1   3    3    PRO   HB3    H   1    1.96     0.005   .   2   .   .   .   A   3     PRO   HB3    .   19759   1    
     15    .   1   1   3    3    PRO   HG2    H   1    2.04     0.005   .   2   .   .   .   A   3     PRO   HG2    .   19759   1    
     16    .   1   1   3    3    PRO   HG3    H   1    2.04     0.005   .   2   .   .   .   A   3     PRO   HG3    .   19759   1    
     17    .   1   1   3    3    PRO   HD2    H   1    3.83     0.005   .   2   .   .   .   A   3     PRO   HD2    .   19759   1    
     18    .   1   1   3    3    PRO   HD3    H   1    3.65     0.005   .   2   .   .   .   A   3     PRO   HD3    .   19759   1    
     19    .   1   1   3    3    PRO   CA     C   13   62.77    0.03    .   1   .   .   .   A   3     PRO   CA     .   19759   1    
     20    .   1   1   3    3    PRO   CB     C   13   32.12    0.03    .   1   .   .   .   A   3     PRO   CB     .   19759   1    
     21    .   1   1   3    3    PRO   CG     C   13   27.37    0.03    .   1   .   .   .   A   3     PRO   CG     .   19759   1    
     22    .   1   1   3    3    PRO   CD     C   13   50.43    0.03    .   1   .   .   .   A   3     PRO   CD     .   19759   1    
     23    .   1   1   4    4    THR   H      H   1    8.71     0.005   .   1   .   .   .   A   4     THR   H      .   19759   1    
     24    .   1   1   4    4    THR   HA     H   1    4.71     0.005   .   1   .   .   .   A   4     THR   HA     .   19759   1    
     25    .   1   1   4    4    THR   HB     H   1    4.41     0.005   .   1   .   .   .   A   4     THR   HB     .   19759   1    
     26    .   1   1   4    4    THR   HG21   H   1    1.34     0.005   .   1   .   .   .   A   4     THR   HG21   .   19759   1    
     27    .   1   1   4    4    THR   HG22   H   1    1.34     0.005   .   1   .   .   .   A   4     THR   HG22   .   19759   1    
     28    .   1   1   4    4    THR   HG23   H   1    1.34     0.005   .   1   .   .   .   A   4     THR   HG23   .   19759   1    
     29    .   1   1   4    4    THR   CA     C   13   59.90    0.03    .   1   .   .   .   A   4     THR   CA     .   19759   1    
     30    .   1   1   4    4    THR   CB     C   13   79.32    0.03    .   1   .   .   .   A   4     THR   CB     .   19759   1    
     31    .   1   1   4    4    THR   CG2    C   13   21.26    0.03    .   1   .   .   .   A   4     THR   CG2    .   19759   1    
     32    .   1   1   4    4    THR   N      N   15   113.20   0.05    .   1   .   .   .   A   4     THR   N      .   19759   1    
     33    .   1   1   5    5    THR   H      H   1    8.91     0.005   .   1   .   .   .   A   5     THR   H      .   19759   1    
     34    .   1   1   5    5    THR   HA     H   1    4.79     0.005   .   1   .   .   .   A   5     THR   HA     .   19759   1    
     35    .   1   1   5    5    THR   HB     H   1    4.45     0.005   .   1   .   .   .   A   5     THR   HB     .   19759   1    
     36    .   1   1   5    5    THR   HG21   H   1    1.26     0.005   .   1   .   .   .   A   5     THR   HG21   .   19759   1    
     37    .   1   1   5    5    THR   HG22   H   1    1.26     0.005   .   1   .   .   .   A   5     THR   HG22   .   19759   1    
     38    .   1   1   5    5    THR   HG23   H   1    1.26     0.005   .   1   .   .   .   A   5     THR   HG23   .   19759   1    
     39    .   1   1   5    5    THR   CA     C   13   59.28    0.03    .   1   .   .   .   A   5     THR   CA     .   19759   1    
     40    .   1   1   5    5    THR   CB     C   13   80.09    0.03    .   1   .   .   .   A   5     THR   CB     .   19759   1    
     41    .   1   1   5    5    THR   CG2    C   13   21.37    0.03    .   1   .   .   .   A   5     THR   CG2    .   19759   1    
     42    .   1   1   5    5    THR   N      N   15   111.80   0.05    .   1   .   .   .   A   5     THR   N      .   19759   1    
     43    .   1   1   6    6    THR   H      H   1    8.94     0.005   .   1   .   .   .   A   6     THR   H      .   19759   1    
     44    .   1   1   6    6    THR   HA     H   1    4.75     0.005   .   1   .   .   .   A   6     THR   HA     .   19759   1    
     45    .   1   1   6    6    THR   HB     H   1    4.42     0.005   .   1   .   .   .   A   6     THR   HB     .   19759   1    
     46    .   1   1   6    6    THR   HG21   H   1    1.22     0.005   .   1   .   .   .   A   6     THR   HG21   .   19759   1    
     47    .   1   1   6    6    THR   HG22   H   1    1.22     0.005   .   1   .   .   .   A   6     THR   HG22   .   19759   1    
     48    .   1   1   6    6    THR   HG23   H   1    1.22     0.005   .   1   .   .   .   A   6     THR   HG23   .   19759   1    
     49    .   1   1   6    6    THR   CA     C   13   59.27    0.03    .   1   .   .   .   A   6     THR   CA     .   19759   1    
     50    .   1   1   6    6    THR   CB     C   13   80.72    0.03    .   1   .   .   .   A   6     THR   CB     .   19759   1    
     51    .   1   1   6    6    THR   CG2    C   13   21.42    0.03    .   1   .   .   .   A   6     THR   CG2    .   19759   1    
     52    .   1   1   6    6    THR   N      N   15   110.60   0.05    .   1   .   .   .   A   6     THR   N      .   19759   1    
     53    .   1   1   7    7    THR   H      H   1    8.88     0.005   .   1   .   .   .   A   7     THR   H      .   19759   1    
     54    .   1   1   7    7    THR   HA     H   1    4.53     0.005   .   1   .   .   .   A   7     THR   HA     .   19759   1    
     55    .   1   1   7    7    THR   HB     H   1    4.28     0.005   .   1   .   .   .   A   7     THR   HB     .   19759   1    
     56    .   1   1   7    7    THR   HG21   H   1    1.21     0.005   .   1   .   .   .   A   7     THR   HG21   .   19759   1    
     57    .   1   1   7    7    THR   HG22   H   1    1.21     0.005   .   1   .   .   .   A   7     THR   HG22   .   19759   1    
     58    .   1   1   7    7    THR   HG23   H   1    1.21     0.005   .   1   .   .   .   A   7     THR   HG23   .   19759   1    
     59    .   1   1   7    7    THR   CA     C   13   59.22    0.03    .   1   .   .   .   A   7     THR   CA     .   19759   1    
     60    .   1   1   7    7    THR   CB     C   13   79.40    0.03    .   1   .   .   .   A   7     THR   CB     .   19759   1    
     61    .   1   1   7    7    THR   CG2    C   13   21.53    0.03    .   1   .   .   .   A   7     THR   CG2    .   19759   1    
     62    .   1   1   7    7    THR   N      N   15   109.80   0.05    .   1   .   .   .   A   7     THR   N      .   19759   1    
     63    .   1   1   8    8    LYS   H      H   1    8.46     0.005   .   1   .   .   .   A   8     LYS   H      .   19759   1    
     64    .   1   1   8    8    LYS   HA     H   1    4.24     0.005   .   1   .   .   .   A   8     LYS   HA     .   19759   1    
     65    .   1   1   8    8    LYS   HB2    H   1    1.72     0.005   .   2   .   .   .   A   8     LYS   HB2    .   19759   1    
     66    .   1   1   8    8    LYS   HB3    H   1    1.70     0.005   .   2   .   .   .   A   8     LYS   HB3    .   19759   1    
     67    .   1   1   8    8    LYS   HG2    H   1    1.43     0.005   .   2   .   .   .   A   8     LYS   HG2    .   19759   1    
     68    .   1   1   8    8    LYS   HG3    H   1    1.43     0.005   .   2   .   .   .   A   8     LYS   HG3    .   19759   1    
     69    .   1   1   8    8    LYS   HD2    H   1    1.70     0.005   .   2   .   .   .   A   8     LYS   HD2    .   19759   1    
     70    .   1   1   8    8    LYS   HD3    H   1    1.70     0.005   .   2   .   .   .   A   8     LYS   HD3    .   19759   1    
     71    .   1   1   8    8    LYS   HE2    H   1    3.02     0.005   .   2   .   .   .   A   8     LYS   HE2    .   19759   1    
     72    .   1   1   8    8    LYS   HE3    H   1    3.02     0.005   .   2   .   .   .   A   8     LYS   HE3    .   19759   1    
     73    .   1   1   8    8    LYS   CA     C   13   55.34    0.03    .   1   .   .   .   A   8     LYS   CA     .   19759   1    
     74    .   1   1   8    8    LYS   CB     C   13   33.94    0.03    .   1   .   .   .   A   8     LYS   CB     .   19759   1    
     75    .   1   1   8    8    LYS   CG     C   13   24.73    0.03    .   1   .   .   .   A   8     LYS   CG     .   19759   1    
     76    .   1   1   8    8    LYS   CD     C   13   29.18    0.03    .   1   .   .   .   A   8     LYS   CD     .   19759   1    
     77    .   1   1   8    8    LYS   CE     C   13   41.83    0.03    .   1   .   .   .   A   8     LYS   CE     .   19759   1    
     78    .   1   1   8    8    LYS   N      N   15   119.60   0.05    .   1   .   .   .   A   8     LYS   N      .   19759   1    
     79    .   1   1   9    9    LYS   H      H   1    8.50     0.005   .   1   .   .   .   A   9     LYS   H      .   19759   1    
     80    .   1   1   9    9    LYS   HA     H   1    4.40     0.005   .   1   .   .   .   A   9     LYS   HA     .   19759   1    
     81    .   1   1   9    9    LYS   HB2    H   1    1.79     0.005   .   2   .   .   .   A   9     LYS   HB2    .   19759   1    
     82    .   1   1   9    9    LYS   HB3    H   1    1.79     0.005   .   2   .   .   .   A   9     LYS   HB3    .   19759   1    
     83    .   1   1   9    9    LYS   HG2    H   1    1.52     0.005   .   2   .   .   .   A   9     LYS   HG2    .   19759   1    
     84    .   1   1   9    9    LYS   HG3    H   1    1.52     0.005   .   2   .   .   .   A   9     LYS   HG3    .   19759   1    
     85    .   1   1   9    9    LYS   HD2    H   1    1.72     0.005   .   2   .   .   .   A   9     LYS   HD2    .   19759   1    
     86    .   1   1   9    9    LYS   HD3    H   1    1.72     0.005   .   2   .   .   .   A   9     LYS   HD3    .   19759   1    
     87    .   1   1   9    9    LYS   HE2    H   1    3.02     0.005   .   2   .   .   .   A   9     LYS   HE2    .   19759   1    
     88    .   1   1   9    9    LYS   HE3    H   1    3.02     0.005   .   2   .   .   .   A   9     LYS   HE3    .   19759   1    
     89    .   1   1   9    9    LYS   CA     C   13   54.57    0.03    .   1   .   .   .   A   9     LYS   CA     .   19759   1    
     90    .   1   1   9    9    LYS   CB     C   13   32.58    0.03    .   1   .   .   .   A   9     LYS   CB     .   19759   1    
     91    .   1   1   9    9    LYS   CG     C   13   24.41    0.03    .   1   .   .   .   A   9     LYS   CG     .   19759   1    
     92    .   1   1   9    9    LYS   CD     C   13   29.42    0.03    .   1   .   .   .   A   9     LYS   CD     .   19759   1    
     93    .   1   1   9    9    LYS   CE     C   13   41.83    0.03    .   1   .   .   .   A   9     LYS   CE     .   19759   1    
     94    .   1   1   9    9    LYS   N      N   15   124.60   0.05    .   1   .   .   .   A   9     LYS   N      .   19759   1    
     95    .   1   1   10   10   PRO   HA     H   1    4.36     0.005   .   1   .   .   .   A   10    PRO   HA     .   19759   1    
     96    .   1   1   10   10   PRO   HB2    H   1    2.32     0.005   .   2   .   .   .   A   10    PRO   HB2    .   19759   1    
     97    .   1   1   10   10   PRO   HB3    H   1    1.92     0.005   .   2   .   .   .   A   10    PRO   HB3    .   19759   1    
     98    .   1   1   10   10   PRO   HG2    H   1    2.06     0.005   .   2   .   .   .   A   10    PRO   HG2    .   19759   1    
     99    .   1   1   10   10   PRO   HG3    H   1    2.04     0.005   .   2   .   .   .   A   10    PRO   HG3    .   19759   1    
     100   .   1   1   10   10   PRO   HD2    H   1    3.93     0.005   .   2   .   .   .   A   10    PRO   HD2    .   19759   1    
     101   .   1   1   10   10   PRO   HD3    H   1    3.64     0.005   .   2   .   .   .   A   10    PRO   HD3    .   19759   1    
     102   .   1   1   10   10   PRO   CA     C   13   63.05    0.03    .   1   .   .   .   A   10    PRO   CA     .   19759   1    
     103   .   1   1   10   10   PRO   CB     C   13   32.33    0.03    .   1   .   .   .   A   10    PRO   CB     .   19759   1    
     104   .   1   1   10   10   PRO   CG     C   13   27.48    0.03    .   1   .   .   .   A   10    PRO   CG     .   19759   1    
     105   .   1   1   10   10   PRO   CD     C   13   51.02    0.03    .   1   .   .   .   A   10    PRO   CD     .   19759   1    
     106   .   2   2   1    1    A2G   C1     C   13   101.67   0.03    .   1   .   .   .   A   101   A2G   C1     .   19759   1    
     107   .   2   2   1    1    A2G   C2     C   13   52.47    0.03    .   1   .   .   .   A   101   A2G   C2     .   19759   1    
     108   .   2   2   1    1    A2G   C3     C   13   70.92    0.03    .   1   .   .   .   A   101   A2G   C3     .   19759   1    
     109   .   2   2   1    1    A2G   C4     C   13   71.22    0.03    .   1   .   .   .   A   101   A2G   C4     .   19759   1    
     110   .   2   2   1    1    A2G   C5     C   13   74.12    0.03    .   1   .   .   .   A   101   A2G   C5     .   19759   1    
     111   .   2   2   1    1    A2G   C6     C   13   64.10    0.03    .   1   .   .   .   A   101   A2G   C6     .   19759   1    
     112   .   2   2   1    1    A2G   C8     C   13   25.18    0.03    .   1   .   .   .   A   101   A2G   C8     .   19759   1    
     113   .   2   2   1    1    A2G   H1     H   1    4.74     0.005   .   1   .   .   .   A   101   A2G   H1     .   19759   1    
     114   .   2   2   1    1    A2G   H14    H   1    3.73     0.005   .   2   .   .   .   A   101   A2G   H14    .   19759   1    
     115   .   2   2   1    1    A2G   H2     H   1    4.03     0.005   .   1   .   .   .   A   101   A2G   H2     .   19759   1    
     116   .   2   2   1    1    A2G   H3     H   1    3.89     0.005   .   1   .   .   .   A   101   A2G   H3     .   19759   1    
     117   .   2   2   1    1    A2G   H4     H   1    3.96     0.005   .   1   .   .   .   A   101   A2G   H4     .   19759   1    
     118   .   2   2   1    1    A2G   H5     H   1    4.05     0.005   .   1   .   .   .   A   101   A2G   H5     .   19759   1    
     119   .   2   2   1    1    A2G   H6     H   1    3.73     0.005   .   2   .   .   .   A   101   A2G   H6     .   19759   1    
     120   .   2   2   1    1    A2G   H8     H   1    2.05     0.005   .   2   .   .   .   A   101   A2G   H8     .   19759   1    
     121   .   2   2   1    1    A2G   H8A    H   1    2.05     0.005   .   2   .   .   .   A   101   A2G   H8A    .   19759   1    
     122   .   2   2   1    1    A2G   H8B    H   1    2.05     0.005   .   2   .   .   .   A   101   A2G   H8B    .   19759   1    
     123   .   2   2   1    1    A2G   HN2    H   1    7.75     0.005   .   1   .   .   .   A   101   A2G   HN2    .   19759   1    
     124   .   2   2   1    1    A2G   N2     N   15   122.00   0.05    .   1   .   .   .   A   101   A2G   N2     .   19759   1    
     125   .   2   2   2    2    A2G   C1     C   13   101.86   0.03    .   1   .   .   .   A   102   A2G   C1     .   19759   1    
     126   .   2   2   2    2    A2G   C2     C   13   52.33    0.03    .   1   .   .   .   A   102   A2G   C2     .   19759   1    
     127   .   2   2   2    2    A2G   C3     C   13   70.90    0.03    .   1   .   .   .   A   102   A2G   C3     .   19759   1    
     128   .   2   2   2    2    A2G   C4     C   13   71.20    0.03    .   1   .   .   .   A   102   A2G   C4     .   19759   1    
     129   .   2   2   2    2    A2G   C5     C   13   74.00    0.03    .   1   .   .   .   A   102   A2G   C5     .   19759   1    
     130   .   2   2   2    2    A2G   C6     C   13   64.10    0.03    .   1   .   .   .   A   102   A2G   C6     .   19759   1    
     131   .   2   2   2    2    A2G   C8     C   13   25.17    0.03    .   1   .   .   .   A   102   A2G   C8     .   19759   1    
     132   .   2   2   2    2    A2G   H1     H   1    4.71     0.005   .   1   .   .   .   A   102   A2G   H1     .   19759   1    
     133   .   2   2   2    2    A2G   H14    H   1    3.73     0.005   .   2   .   .   .   A   102   A2G   H14    .   19759   1    
     134   .   2   2   2    2    A2G   H2     H   1    4.01     0.005   .   1   .   .   .   A   102   A2G   H2     .   19759   1    
     135   .   2   2   2    2    A2G   H3     H   1    3.88     0.005   .   1   .   .   .   A   102   A2G   H3     .   19759   1    
     136   .   2   2   2    2    A2G   H4     H   1    3.94     0.005   .   1   .   .   .   A   102   A2G   H4     .   19759   1    
     137   .   2   2   2    2    A2G   H5     H   1    4.00     0.005   .   1   .   .   .   A   102   A2G   H5     .   19759   1    
     138   .   2   2   2    2    A2G   H6     H   1    3.73     0.005   .   2   .   .   .   A   102   A2G   H6     .   19759   1    
     139   .   2   2   2    2    A2G   H8     H   1    2.04     0.005   .   2   .   .   .   A   102   A2G   H8     .   19759   1    
     140   .   2   2   2    2    A2G   H8A    H   1    2.04     0.005   .   2   .   .   .   A   102   A2G   H8A    .   19759   1    
     141   .   2   2   2    2    A2G   H8B    H   1    2.04     0.005   .   2   .   .   .   A   102   A2G   H8B    .   19759   1    
     142   .   2   2   2    2    A2G   HN2    H   1    7.67     0.005   .   1   .   .   .   A   102   A2G   HN2    .   19759   1    
     143   .   2   2   2    2    A2G   N2     N   15   121.90   0.05    .   1   .   .   .   A   102   A2G   N2     .   19759   1    
     144   .   2   2   3    3    A2G   C1     C   13   102.18   0.03    .   1   .   .   .   A   103   A2G   C1     .   19759   1    
     145   .   2   2   3    3    A2G   C2     C   13   52.34    0.03    .   1   .   .   .   A   103   A2G   C2     .   19759   1    
     146   .   2   2   3    3    A2G   C3     C   13   70.88    0.03    .   1   .   .   .   A   103   A2G   C3     .   19759   1    
     147   .   2   2   3    3    A2G   C4     C   13   71.05    0.03    .   1   .   .   .   A   103   A2G   C4     .   19759   1    
     148   .   2   2   3    3    A2G   C5     C   13   74.00    0.03    .   1   .   .   .   A   103   A2G   C5     .   19759   1    
     149   .   2   2   3    3    A2G   C6     C   13   64.10    0.03    .   1   .   .   .   A   103   A2G   C6     .   19759   1    
     150   .   2   2   3    3    A2G   C8     C   13   25.15    0.03    .   1   .   .   .   A   103   A2G   C8     .   19759   1    
     151   .   2   2   3    3    A2G   H1     H   1    4.82     0.005   .   1   .   .   .   A   103   A2G   H1     .   19759   1    
     152   .   2   2   3    3    A2G   H14    H   1    3.73     0.005   .   2   .   .   .   A   103   A2G   H14    .   19759   1    
     153   .   2   2   3    3    A2G   H2     H   1    4.09     0.005   .   1   .   .   .   A   103   A2G   H2     .   19759   1    
     154   .   2   2   3    3    A2G   H3     H   1    3.87     0.005   .   1   .   .   .   A   103   A2G   H3     .   19759   1    
     155   .   2   2   3    3    A2G   H4     H   1    3.99     0.005   .   1   .   .   .   A   103   A2G   H4     .   19759   1    
     156   .   2   2   3    3    A2G   H5     H   1    4.00     0.005   .   1   .   .   .   A   103   A2G   H5     .   19759   1    
     157   .   2   2   3    3    A2G   H6     H   1    3.73     0.005   .   2   .   .   .   A   103   A2G   H6     .   19759   1    
     158   .   2   2   3    3    A2G   H8     H   1    2.03     0.005   .   2   .   .   .   A   103   A2G   H8     .   19759   1    
     159   .   2   2   3    3    A2G   H8A    H   1    2.03     0.005   .   2   .   .   .   A   103   A2G   H8A    .   19759   1    
     160   .   2   2   3    3    A2G   H8B    H   1    2.03     0.005   .   2   .   .   .   A   103   A2G   H8B    .   19759   1    
     161   .   2   2   3    3    A2G   HN2    H   1    7.49     0.005   .   1   .   .   .   A   103   A2G   HN2    .   19759   1    
     162   .   2   2   3    3    A2G   N2     N   15   121.90   0.05    .   1   .   .   .   A   103   A2G   N2     .   19759   1    
     163   .   2   2   4    4    A2G   C1     C   13   101.61   0.03    .   1   .   .   .   A   104   A2G   C1     .   19759   1    
     164   .   2   2   4    4    A2G   C2     C   13   52.21    0.03    .   1   .   .   .   A   104   A2G   C2     .   19759   1    
     165   .   2   2   4    4    A2G   C3     C   13   70.87    0.03    .   1   .   .   .   A   104   A2G   C3     .   19759   1    
     166   .   2   2   4    4    A2G   C4     C   13   71.10    0.03    .   1   .   .   .   A   104   A2G   C4     .   19759   1    
     167   .   2   2   4    4    A2G   C5     C   13   74.00    0.03    .   1   .   .   .   A   104   A2G   C5     .   19759   1    
     168   .   2   2   4    4    A2G   C6     C   13   64.10    0.03    .   1   .   .   .   A   104   A2G   C6     .   19759   1    
     169   .   2   2   4    4    A2G   C8     C   13   25.20    0.03    .   1   .   .   .   A   104   A2G   C8     .   19759   1    
     170   .   2   2   4    4    A2G   H1     H   1    4.85     0.005   .   1   .   .   .   A   104   A2G   H1     .   19759   1    
     171   .   2   2   4    4    A2G   H14    H   1    3.73     0.005   .   2   .   .   .   A   104   A2G   H14    .   19759   1    
     172   .   2   2   4    4    A2G   H2     H   1    4.09     0.005   .   1   .   .   .   A   104   A2G   H2     .   19759   1    
     173   .   2   2   4    4    A2G   H3     H   1    3.86     0.005   .   1   .   .   .   A   104   A2G   H3     .   19759   1    
     174   .   2   2   4    4    A2G   H4     H   1    3.98     0.005   .   1   .   .   .   A   104   A2G   H4     .   19759   1    
     175   .   2   2   4    4    A2G   H5     H   1    4.00     0.005   .   1   .   .   .   A   104   A2G   H5     .   19759   1    
     176   .   2   2   4    4    A2G   H6     H   1    3.73     0.005   .   2   .   .   .   A   104   A2G   H6     .   19759   1    
     177   .   2   2   4    4    A2G   H8     H   1    2.06     0.005   .   2   .   .   .   A   104   A2G   H8     .   19759   1    
     178   .   2   2   4    4    A2G   H8A    H   1    2.06     0.005   .   2   .   .   .   A   104   A2G   H8A    .   19759   1    
     179   .   2   2   4    4    A2G   H8B    H   1    2.06     0.005   .   2   .   .   .   A   104   A2G   H8B    .   19759   1    
     180   .   2   2   4    4    A2G   HN2    H   1    7.61     0.005   .   1   .   .   .   A   104   A2G   HN2    .   19759   1    
     181   .   2   2   4    4    A2G   N2     N   15   121.80   0.05    .   1   .   .   .   A   104   A2G   N2     .   19759   1    

   stop_

save_