###################################
     #  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                     50732
   _Assigned_chem_shift_list.ID                           1
   _Assigned_chem_shift_list.Name                         PpcAF6LW45M
   _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 TOCSY'   .   .   .   50732   1    
     2   '2D 1H-1H NOESY'   .   .   .   50732   1    
     3   '2D 1H-1H TOCSY'   .   .   .   50732   1    
     4   '2D 1H-1H NOESY'   .   .   .   50732   1    
     5   '2D 1H-15N HSQC'   .   .   .   50732   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

     1   $software_1   .   .   50732   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   3    3    GLU   H      H   1    7.606     0.000   .   1   .   .   .   .   .   3    GLU   HN     .   50732   1    
     2     .   1   .   1   3    3    GLU   N      N   15   119.143   0.000   .   1   .   .   .   .   .   3    GLU   N      .   50732   1    
     3     .   1   .   1   4    4    LEU   H      H   1    8.268     0.000   .   1   .   .   .   .   .   4    LEU   HN     .   50732   1    
     4     .   1   .   1   4    4    LEU   N      N   15   122.915   0.000   .   1   .   .   .   .   .   4    LEU   N      .   50732   1    
     5     .   1   .   1   5    5    THR   H      H   1    8.933     0.000   .   1   .   .   .   .   .   5    THR   HN     .   50732   1    
     6     .   1   .   1   5    5    THR   N      N   15   119.882   0.000   .   1   .   .   .   .   .   5    THR   N      .   50732   1    
     7     .   1   .   1   6    6    LEU   H      H   1    9.640     0.000   .   1   .   .   .   .   .   6    LEU   HN     .   50732   1    
     8     .   1   .   1   6    6    LEU   N      N   15   132.006   0.000   .   1   .   .   .   .   .   6    LEU   N      .   50732   1    
     9     .   1   .   1   7    7    LYS   H      H   1    8.596     0.000   .   1   .   .   .   .   .   7    LYS   HN     .   50732   1    
     10    .   1   .   1   7    7    LYS   N      N   15   124.969   0.000   .   1   .   .   .   .   .   7    LYS   N      .   50732   1    
     11    .   1   .   1   8    8    ALA   H      H   1    8.638     0.000   .   1   .   .   .   .   .   8    ALA   HN     .   50732   1    
     12    .   1   .   1   8    8    ALA   N      N   15   123.771   0.000   .   1   .   .   .   .   .   8    ALA   N      .   50732   1    
     13    .   1   .   1   9    9    LYS   H      H   1    10.306    0.000   .   1   .   .   .   .   .   9    LYS   HN     .   50732   1    
     14    .   1   .   1   9    9    LYS   N      N   15   125.378   0.000   .   1   .   .   .   .   .   9    LYS   N      .   50732   1    
     15    .   1   .   1   10   10   ASN   H      H   1    9.015     0.000   .   1   .   .   .   .   .   10   ASN   HN     .   50732   1    
     16    .   1   .   1   10   10   ASN   HD21   H   1    0.687     0.000   .   2   .   .   .   .   .   10   ASN   HD21   .   50732   1    
     17    .   1   .   1   10   10   ASN   HD22   H   1    5.556     0.000   .   2   .   .   .   .   .   10   ASN   HD22   .   50732   1    
     18    .   1   .   1   10   10   ASN   N      N   15   113.900   0.000   .   1   .   .   .   .   .   10   ASN   N      .   50732   1    
     19    .   1   .   1   10   10   ASN   ND2    N   15   108.124   0.040   .   1   .   .   .   .   .   10   ASN   ND2    .   50732   1    
     20    .   1   .   1   11   11   GLY   H      H   1    7.002     0.000   .   1   .   .   .   .   .   11   GLY   HN     .   50732   1    
     21    .   1   .   1   11   11   GLY   N      N   15   110.691   0.000   .   1   .   .   .   .   .   11   GLY   N      .   50732   1    
     22    .   1   .   1   12   12   ASP   H      H   1    8.112     0.000   .   1   .   .   .   .   .   12   ASP   HN     .   50732   1    
     23    .   1   .   1   12   12   ASP   N      N   15   129.537   0.000   .   1   .   .   .   .   .   12   ASP   N      .   50732   1    
     24    .   1   .   1   13   13   VAL   H      H   1    8.653     0.000   .   1   .   .   .   .   .   13   VAL   HN     .   50732   1    
     25    .   1   .   1   13   13   VAL   N      N   15   121.505   0.000   .   1   .   .   .   .   .   13   VAL   N      .   50732   1    
     26    .   1   .   1   14   14   LYS   H      H   1    9.023     0.000   .   1   .   .   .   .   .   14   LYS   HN     .   50732   1    
     27    .   1   .   1   14   14   LYS   N      N   15   129.653   0.000   .   1   .   .   .   .   .   14   LYS   N      .   50732   1    
     28    .   1   .   1   15   15   PHE   H      H   1    9.237     0.000   .   1   .   .   .   .   .   15   PHE   HN     .   50732   1    
     29    .   1   .   1   15   15   PHE   N      N   15   127.288   0.000   .   1   .   .   .   .   .   15   PHE   N      .   50732   1    
     30    .   1   .   1   17   17   HIS   H      H   1    6.506     0.000   .   1   .   .   .   .   .   17   HIS   HN     .   50732   1    
     31    .   1   .   1   17   17   HIS   HD1    H   1    8.748     0.000   .   1   .   .   .   .   .   17   HIS   HD1    .   50732   1    
     32    .   1   .   1   17   17   HIS   N      N   15   132.608   0.000   .   1   .   .   .   .   .   17   HIS   N      .   50732   1    
     33    .   1   .   1   17   17   HIS   ND1    N   15   166.410   0.000   .   1   .   .   .   .   .   17   HIS   ND1    .   50732   1    
     34    .   1   .   1   18   18   LYS   H      H   1    7.316     0.000   .   1   .   .   .   .   .   18   LYS   HN     .   50732   1    
     35    .   1   .   1   18   18   LYS   N      N   15   119.234   0.000   .   1   .   .   .   .   .   18   LYS   N      .   50732   1    
     36    .   1   .   1   19   19   LYS   H      H   1    7.335     0.000   .   1   .   .   .   .   .   19   LYS   HN     .   50732   1    
     37    .   1   .   1   19   19   LYS   N      N   15   118.301   0.000   .   1   .   .   .   .   .   19   LYS   N      .   50732   1    
     38    .   1   .   1   20   20   HIS   H      H   1    6.230     0.000   .   1   .   .   .   .   .   20   HIS   HN     .   50732   1    
     39    .   1   .   1   20   20   HIS   HD1    H   1    8.024     0.000   .   1   .   .   .   .   .   20   HIS   HD1    .   50732   1    
     40    .   1   .   1   20   20   HIS   N      N   15   113.992   0.000   .   1   .   .   .   .   .   20   HIS   N      .   50732   1    
     41    .   1   .   1   20   20   HIS   ND1    N   15   162.673   0.000   .   1   .   .   .   .   .   20   HIS   ND1    .   50732   1    
     42    .   1   .   1   21   21   GLN   H      H   1    7.377     0.000   .   1   .   .   .   .   .   21   GLN   HN     .   50732   1    
     43    .   1   .   1   21   21   GLN   HE21   H   1    1.026     0.000   .   2   .   .   .   .   .   21   GLN   HE21   .   50732   1    
     44    .   1   .   1   21   21   GLN   N      N   15   119.565   0.000   .   1   .   .   .   .   .   21   GLN   N      .   50732   1    
     45    .   1   .   1   21   21   GLN   NE2    N   15   105.130   0.000   .   1   .   .   .   .   .   21   GLN   NE2    .   50732   1    
     46    .   1   .   1   22   22   GLN   H      H   1    7.037     0.000   .   1   .   .   .   .   .   22   GLN   HN     .   50732   1    
     47    .   1   .   1   22   22   GLN   HE21   H   1    6.682     0.000   .   2   .   .   .   .   .   22   GLN   HE21   .   50732   1    
     48    .   1   .   1   22   22   GLN   HE22   H   1    7.262     0.000   .   2   .   .   .   .   .   22   GLN   HE22   .   50732   1    
     49    .   1   .   1   22   22   GLN   N      N   15   116.570   0.000   .   1   .   .   .   .   .   22   GLN   N      .   50732   1    
     50    .   1   .   1   22   22   GLN   NE2    N   15   111.305   0.004   .   1   .   .   .   .   .   22   GLN   NE2    .   50732   1    
     51    .   1   .   1   23   23   VAL   H      H   1    8.032     0.000   .   1   .   .   .   .   .   23   VAL   HN     .   50732   1    
     52    .   1   .   1   23   23   VAL   N      N   15   117.972   0.000   .   1   .   .   .   .   .   23   VAL   N      .   50732   1    
     53    .   1   .   1   24   24   VAL   H      H   1    8.700     0.000   .   1   .   .   .   .   .   24   VAL   HN     .   50732   1    
     54    .   1   .   1   24   24   VAL   N      N   15   119.886   0.000   .   1   .   .   .   .   .   24   VAL   N      .   50732   1    
     55    .   1   .   1   25   25   GLY   H      H   1    7.280     0.000   .   1   .   .   .   .   .   25   GLY   HN     .   50732   1    
     56    .   1   .   1   25   25   GLY   N      N   15   105.970   0.000   .   1   .   .   .   .   .   25   GLY   N      .   50732   1    
     57    .   1   .   1   26   26   ASN   H      H   1    7.726     0.000   .   1   .   .   .   .   .   26   ASN   HN     .   50732   1    
     58    .   1   .   1   26   26   ASN   HD21   H   1    7.052     0.000   .   2   .   .   .   .   .   26   ASN   HD21   .   50732   1    
     59    .   1   .   1   26   26   ASN   HD22   H   1    7.886     0.000   .   2   .   .   .   .   .   26   ASN   HD22   .   50732   1    
     60    .   1   .   1   26   26   ASN   N      N   15   117.054   0.000   .   1   .   .   .   .   .   26   ASN   N      .   50732   1    
     61    .   1   .   1   26   26   ASN   ND2    N   15   111.762   0.003   .   1   .   .   .   .   .   26   ASN   ND2    .   50732   1    
     62    .   1   .   1   27   27   CYS   H      H   1    9.015     0.000   .   1   .   .   .   .   .   27   CYS   HN     .   50732   1    
     63    .   1   .   1   27   27   CYS   N      N   15   122.230   0.000   .   1   .   .   .   .   .   27   CYS   N      .   50732   1    
     64    .   1   .   1   28   28   LYS   H      H   1    7.891     0.000   .   1   .   .   .   .   .   28   LYS   HN     .   50732   1    
     65    .   1   .   1   28   28   LYS   N      N   15   115.175   0.000   .   1   .   .   .   .   .   28   LYS   N      .   50732   1    
     66    .   1   .   1   29   29   LYS   H      H   1    7.507     0.000   .   1   .   .   .   .   .   29   LYS   HN     .   50732   1    
     67    .   1   .   1   29   29   LYS   N      N   15   117.612   0.000   .   1   .   .   .   .   .   29   LYS   N      .   50732   1    
     68    .   1   .   1   30   30   CYS   H      H   1    6.275     0.000   .   1   .   .   .   .   .   30   CYS   HN     .   50732   1    
     69    .   1   .   1   30   30   CYS   N      N   15   111.475   0.000   .   1   .   .   .   .   .   30   CYS   N      .   50732   1    
     70    .   1   .   1   31   31   HIS   H      H   1    7.056     0.000   .   1   .   .   .   .   .   31   HIS   HN     .   50732   1    
     71    .   1   .   1   31   31   HIS   HD1    H   1    8.534     0.000   .   1   .   .   .   .   .   31   HIS   HD1    .   50732   1    
     72    .   1   .   1   31   31   HIS   N      N   15   117.627   0.000   .   1   .   .   .   .   .   31   HIS   N      .   50732   1    
     73    .   1   .   1   31   31   HIS   ND1    N   15   164.098   0.000   .   1   .   .   .   .   .   31   HIS   ND1    .   50732   1    
     74    .   1   .   1   32   32   GLU   H      H   1    8.142     0.000   .   1   .   .   .   .   .   32   GLU   HN     .   50732   1    
     75    .   1   .   1   32   32   GLU   N      N   15   125.543   0.000   .   1   .   .   .   .   .   32   GLU   N      .   50732   1    
     76    .   1   .   1   33   33   LYS   H      H   1    8.245     0.000   .   1   .   .   .   .   .   33   LYS   HN     .   50732   1    
     77    .   1   .   1   33   33   LYS   N      N   15   115.184   0.000   .   1   .   .   .   .   .   33   LYS   N      .   50732   1    
     78    .   1   .   1   34   34   GLY   H      H   1    6.663     0.000   .   1   .   .   .   .   .   34   GLY   HN     .   50732   1    
     79    .   1   .   1   34   34   GLY   N      N   15   107.223   0.000   .   1   .   .   .   .   .   34   GLY   N      .   50732   1    
     80    .   1   .   1   36   36   GLY   H      H   1    3.891     0.000   .   1   .   .   .   .   .   36   GLY   HN     .   50732   1    
     81    .   1   .   1   36   36   GLY   N      N   15   109.083   0.000   .   1   .   .   .   .   .   36   GLY   N      .   50732   1    
     82    .   1   .   1   37   37   LYS   H      H   1    8.078     0.000   .   1   .   .   .   .   .   37   LYS   HN     .   50732   1    
     83    .   1   .   1   37   37   LYS   N      N   15   116.902   0.000   .   1   .   .   .   .   .   37   LYS   N      .   50732   1    
     84    .   1   .   1   38   38   ILE   H      H   1    10.271    0.000   .   1   .   .   .   .   .   38   ILE   HN     .   50732   1    
     85    .   1   .   1   38   38   ILE   N      N   15   128.386   0.000   .   1   .   .   .   .   .   38   ILE   N      .   50732   1    
     86    .   1   .   1   39   39   GLU   H      H   1    8.693     0.000   .   1   .   .   .   .   .   39   GLU   HN     .   50732   1    
     87    .   1   .   1   39   39   GLU   N      N   15   131.362   0.000   .   1   .   .   .   .   .   39   GLU   N      .   50732   1    
     88    .   1   .   1   40   40   GLY   H      H   1    9.242     0.000   .   1   .   .   .   .   .   40   GLY   HN     .   50732   1    
     89    .   1   .   1   40   40   GLY   N      N   15   113.584   0.000   .   1   .   .   .   .   .   40   GLY   N      .   50732   1    
     90    .   1   .   1   41   41   PHE   H      H   1    8.017     0.000   .   1   .   .   .   .   .   41   PHE   HN     .   50732   1    
     91    .   1   .   1   41   41   PHE   N      N   15   121.506   0.000   .   1   .   .   .   .   .   41   PHE   N      .   50732   1    
     92    .   1   .   1   42   42   GLY   H      H   1    6.112     0.000   .   1   .   .   .   .   .   42   GLY   HN     .   50732   1    
     93    .   1   .   1   42   42   GLY   N      N   15   114.159   0.000   .   1   .   .   .   .   .   42   GLY   N      .   50732   1    
     94    .   1   .   1   43   43   LYS   H      H   1    8.959     0.000   .   1   .   .   .   .   .   43   LYS   HN     .   50732   1    
     95    .   1   .   1   43   43   LYS   N      N   15   122.606   0.000   .   1   .   .   .   .   .   43   LYS   N      .   50732   1    
     96    .   1   .   1   44   44   ASP   H      H   1    7.914     0.000   .   1   .   .   .   .   .   44   ASP   HN     .   50732   1    
     97    .   1   .   1   44   44   ASP   N      N   15   115.333   0.000   .   1   .   .   .   .   .   44   ASP   N      .   50732   1    
     98    .   1   .   1   45   45   MET   H      H   1    7.987     0.000   .   1   .   .   .   .   .   45   MET   HN     .   50732   1    
     99    .   1   .   1   45   45   MET   N      N   15   119.039   0.000   .   1   .   .   .   .   .   45   MET   N      .   50732   1    
     100   .   1   .   1   46   46   ALA   H      H   1    8.375     0.000   .   1   .   .   .   .   .   46   ALA   HN     .   50732   1    
     101   .   1   .   1   46   46   ALA   N      N   15   122.353   0.000   .   1   .   .   .   .   .   46   ALA   N      .   50732   1    
     102   .   1   .   1   47   47   HIS   H      H   1    7.433     0.000   .   1   .   .   .   .   .   47   HIS   HN     .   50732   1    
     103   .   1   .   1   47   47   HIS   N      N   15   116.370   0.000   .   1   .   .   .   .   .   47   HIS   N      .   50732   1    
     104   .   1   .   1   48   48   LYS   H      H   1    7.022     0.000   .   1   .   .   .   .   .   48   LYS   HN     .   50732   1    
     105   .   1   .   1   48   48   LYS   N      N   15   118.371   0.000   .   1   .   .   .   .   .   48   LYS   N      .   50732   1    
     106   .   1   .   1   49   49   THR   H      H   1    8.556     0.000   .   1   .   .   .   .   .   49   THR   HN     .   50732   1    
     107   .   1   .   1   49   49   THR   N      N   15   115.119   0.000   .   1   .   .   .   .   .   49   THR   N      .   50732   1    
     108   .   1   .   1   50   50   CYS   H      H   1    8.858     0.000   .   1   .   .   .   .   .   50   CYS   HN     .   50732   1    
     109   .   1   .   1   50   50   CYS   N      N   15   121.175   0.000   .   1   .   .   .   .   .   50   CYS   N      .   50732   1    
     110   .   1   .   1   51   51   LYS   H      H   1    5.931     0.000   .   1   .   .   .   .   .   51   LYS   HN     .   50732   1    
     111   .   1   .   1   51   51   LYS   N      N   15   113.170   0.000   .   1   .   .   .   .   .   51   LYS   N      .   50732   1    
     112   .   1   .   1   52   52   GLY   H      H   1    6.380     0.000   .   1   .   .   .   .   .   52   GLY   HN     .   50732   1    
     113   .   1   .   1   52   52   GLY   N      N   15   101.503   0.000   .   1   .   .   .   .   .   52   GLY   N      .   50732   1    
     114   .   1   .   1   53   53   CYS   H      H   1    6.984     0.000   .   1   .   .   .   .   .   53   CYS   HN     .   50732   1    
     115   .   1   .   1   53   53   CYS   N      N   15   121.193   0.000   .   1   .   .   .   .   .   53   CYS   N      .   50732   1    
     116   .   1   .   1   54   54   HIS   H      H   1    6.022     0.000   .   1   .   .   .   .   .   54   HIS   HN     .   50732   1    
     117   .   1   .   1   54   54   HIS   HD1    H   1    9.594     0.000   .   1   .   .   .   .   .   54   HIS   HD1    .   50732   1    
     118   .   1   .   1   54   54   HIS   N      N   15   117.263   0.000   .   1   .   .   .   .   .   54   HIS   N      .   50732   1    
     119   .   1   .   1   54   54   HIS   ND1    N   15   165.370   0.000   .   1   .   .   .   .   .   54   HIS   ND1    .   50732   1    
     120   .   1   .   1   55   55   GLU   H      H   1    7.967     0.000   .   1   .   .   .   .   .   55   GLU   HN     .   50732   1    
     121   .   1   .   1   55   55   GLU   N      N   15   117.541   0.000   .   1   .   .   .   .   .   55   GLU   N      .   50732   1    
     122   .   1   .   1   56   56   GLU   H      H   1    7.669     0.000   .   1   .   .   .   .   .   56   GLU   HN     .   50732   1    
     123   .   1   .   1   56   56   GLU   N      N   15   120.735   0.000   .   1   .   .   .   .   .   56   GLU   N      .   50732   1    
     124   .   1   .   1   57   57   MET   H      H   1    8.956     0.000   .   1   .   .   .   .   .   57   MET   HN     .   50732   1    
     125   .   1   .   1   57   57   MET   N      N   15   115.122   0.000   .   1   .   .   .   .   .   57   MET   N      .   50732   1    
     126   .   1   .   1   58   58   LYS   H      H   1    7.753     0.000   .   1   .   .   .   .   .   58   LYS   HN     .   50732   1    
     127   .   1   .   1   58   58   LYS   N      N   15   114.666   0.000   .   1   .   .   .   .   .   58   LYS   N      .   50732   1    
     128   .   1   .   1   59   59   LYS   H      H   1    7.628     0.000   .   1   .   .   .   .   .   59   LYS   HN     .   50732   1    
     129   .   1   .   1   59   59   LYS   N      N   15   118.869   0.000   .   1   .   .   .   .   .   59   LYS   N      .   50732   1    
     130   .   1   .   1   60   60   GLY   H      H   1    7.609     0.000   .   1   .   .   .   .   .   60   GLY   HN     .   50732   1    
     131   .   1   .   1   60   60   GLY   N      N   15   103.550   0.000   .   1   .   .   .   .   .   60   GLY   N      .   50732   1    
     132   .   1   .   1   62   62   THR   H      H   1    8.707     0.000   .   1   .   .   .   .   .   62   THR   HN     .   50732   1    
     133   .   1   .   1   62   62   THR   N      N   15   110.101   0.000   .   1   .   .   .   .   .   62   THR   N      .   50732   1    
     134   .   1   .   1   63   63   LYS   H      H   1    8.329     0.000   .   1   .   .   .   .   .   63   LYS   HN     .   50732   1    
     135   .   1   .   1   63   63   LYS   N      N   15   124.551   0.000   .   1   .   .   .   .   .   63   LYS   N      .   50732   1    
     136   .   1   .   1   64   64   CYS   H      H   1    8.748     0.000   .   1   .   .   .   .   .   64   CYS   HN     .   50732   1    
     137   .   1   .   1   64   64   CYS   N      N   15   118.715   0.000   .   1   .   .   .   .   .   64   CYS   N      .   50732   1    
     138   .   1   .   1   65   65   GLY   H      H   1    8.846     0.000   .   1   .   .   .   .   .   65   GLY   HN     .   50732   1    
     139   .   1   .   1   65   65   GLY   N      N   15   102.243   0.000   .   1   .   .   .   .   .   65   GLY   N      .   50732   1    
     140   .   1   .   1   66   66   ASP   H      H   1    7.719     0.000   .   1   .   .   .   .   .   66   ASP   HN     .   50732   1    
     141   .   1   .   1   66   66   ASP   N      N   15   117.666   0.000   .   1   .   .   .   .   .   66   ASP   N      .   50732   1    
     142   .   1   .   1   67   67   CYS   H      H   1    6.587     0.000   .   1   .   .   .   .   .   67   CYS   HN     .   50732   1    
     143   .   1   .   1   67   67   CYS   N      N   15   115.575   0.000   .   1   .   .   .   .   .   67   CYS   N      .   50732   1    
     144   .   1   .   1   68   68   HIS   H      H   1    6.930     0.000   .   1   .   .   .   .   .   68   HIS   HN     .   50732   1    
     145   .   1   .   1   68   68   HIS   HD1    H   1    8.966     0.000   .   1   .   .   .   .   .   68   HIS   HD1    .   50732   1    
     146   .   1   .   1   68   68   HIS   N      N   15   118.120   0.000   .   1   .   .   .   .   .   68   HIS   N      .   50732   1    
     147   .   1   .   1   68   68   HIS   ND1    N   15   166.267   0.000   .   1   .   .   .   .   .   68   HIS   ND1    .   50732   1    
     148   .   1   .   1   69   69   LYS   H      H   1    7.063     0.000   .   1   .   .   .   .   .   69   LYS   HN     .   50732   1    
     149   .   1   .   1   69   69   LYS   N      N   15   124.047   0.000   .   1   .   .   .   .   .   69   LYS   N      .   50732   1    
     150   .   1   .   1   70   70   LYS   H      H   1    7.879     0.000   .   1   .   .   .   .   .   70   LYS   HN     .   50732   1    
     151   .   1   .   1   70   70   LYS   N      N   15   128.271   0.000   .   1   .   .   .   .   .   70   LYS   N      .   50732   1    
     152   .   2   .   2   1    1    HEM   HHC    H   1    9.384     0.000   .   1   .   .   .   .   .   1    HEM   HHC    .   50732   1    
     153   .   2   .   2   1    1    HEM   HHD    H   1    9.047     0.000   .   1   .   .   .   .   .   1    HEM   HHD    .   50732   1    
     154   .   2   .   2   1    1    HEM   HHB    H   1    9.508     0.001   .   1   .   .   .   .   .   1    HEM   HHB    .   50732   1    
     155   .   2   .   2   1    1    HEM   HHA    H   1    9.260     0.000   .   1   .   .   .   .   .   1    HEM   HHA    .   50732   1    
     156   .   2   .   2   1    1    HEM   HAB    H   1    5.932     0.001   .   1   .   .   .   .   .   1    HEM   HAB    .   50732   1    
     157   .   2   .   2   1    1    HEM   HAC    H   1    6.242     0.002   .   1   .   .   .   .   .   1    HEM   HAC    .   50732   1    
     158   .   2   .   2   1    1    HEM   HMB    H   1    3.519     0.000   .   1   .   .   .   .   .   1    HEM   HMB    .   50732   1    
     159   .   2   .   2   1    1    HEM   HMC    H   1    3.453     0.002   .   1   .   .   .   .   .   1    HEM   HMC    .   50732   1    
     160   .   2   .   2   1    1    HEM   HMD    H   1    2.564     0.003   .   1   .   .   .   .   .   1    HEM   HMD    .   50732   1    
     161   .   2   .   2   1    1    HEM   HMA    H   1    3.341     0.000   .   1   .   .   .   .   .   1    HEM   HMA    .   50732   1    
     162   .   2   .   2   1    1    HEM   HBB    H   1    2.102     0.001   .   1   .   .   .   .   .   1    HEM   HBB    .   50732   1    
     163   .   2   .   2   1    1    HEM   HBC    H   1    1.931     0.001   .   1   .   .   .   .   .   1    HEM   HBC    .   50732   1    
     164   .   3   .   2   1    1    HEM   HHC    H   1    9.731     0.001   .   1   .   .   .   .   .   1    HEM   HHC    .   50732   1    
     165   .   3   .   2   1    1    HEM   HHD    H   1    9.836     0.000   .   1   .   .   .   .   .   1    HEM   HHD    .   50732   1    
     166   .   3   .   2   1    1    HEM   HHB    H   1    10.122    0.000   .   1   .   .   .   .   .   1    HEM   HHB    .   50732   1    
     167   .   3   .   2   1    1    HEM   HHA    H   1    9.514     0.000   .   1   .   .   .   .   .   1    HEM   HHA    .   50732   1    
     168   .   3   .   2   1    1    HEM   HAB    H   1    6.566     0.001   .   1   .   .   .   .   .   1    HEM   HAB    .   50732   1    
     169   .   3   .   2   1    1    HEM   HAC    H   1    6.564     0.001   .   1   .   .   .   .   .   1    HEM   HAC    .   50732   1    
     170   .   3   .   2   1    1    HEM   HMB    H   1    4.257     0.003   .   1   .   .   .   .   .   1    HEM   HMB    .   50732   1    
     171   .   3   .   2   1    1    HEM   HMC    H   1    3.994     0.001   .   1   .   .   .   .   .   1    HEM   HMC    .   50732   1    
     172   .   3   .   2   1    1    HEM   HMD    H   1    3.456     0.001   .   1   .   .   .   .   .   1    HEM   HMD    .   50732   1    
     173   .   3   .   2   1    1    HEM   HMA    H   1    3.906     0.001   .   1   .   .   .   .   .   1    HEM   HMA    .   50732   1    
     174   .   3   .   2   1    1    HEM   HBB    H   1    2.199     0.002   .   1   .   .   .   .   .   1    HEM   HBB    .   50732   1    
     175   .   3   .   2   1    1    HEM   HBC    H   1    2.946     0.001   .   1   .   .   .   .   .   1    HEM   HBC    .   50732   1    
     176   .   4   .   2   1    1    HEM   HHC    H   1    8.982     0.001   .   1   .   .   .   .   .   1    HEM   HHC    .   50732   1    
     177   .   4   .   2   1    1    HEM   HHD    H   1    9.314     0.001   .   1   .   .   .   .   .   1    HEM   HHD    .   50732   1    
     178   .   4   .   2   1    1    HEM   HHB    H   1    9.428     0.000   .   1   .   .   .   .   .   1    HEM   HHB    .   50732   1    
     179   .   4   .   2   1    1    HEM   HHA    H   1    9.435     0.000   .   1   .   .   .   .   .   1    HEM   HHA    .   50732   1    
     180   .   4   .   2   1    1    HEM   HAB    H   1    5.922     0.001   .   1   .   .   .   .   .   1    HEM   HAB    .   50732   1    
     181   .   4   .   2   1    1    HEM   HAC    H   1    6.267     0.000   .   1   .   .   .   .   .   1    HEM   HAC    .   50732   1    
     182   .   4   .   2   1    1    HEM   HMB    H   1    3.624     0.001   .   1   .   .   .   .   .   1    HEM   HMB    .   50732   1    
     183   .   4   .   2   1    1    HEM   HMC    H   1    2.994     0.001   .   1   .   .   .   .   .   1    HEM   HMC    .   50732   1    
     184   .   4   .   2   1    1    HEM   HMD    H   1    3.902     0.001   .   1   .   .   .   .   .   1    HEM   HMD    .   50732   1    
     185   .   4   .   2   1    1    HEM   HMA    H   1    3.326     0.000   .   1   .   .   .   .   .   1    HEM   HMA    .   50732   1    
     186   .   4   .   2   1    1    HEM   HBB    H   1    2.069     0.001   .   1   .   .   .   .   .   1    HEM   HBB    .   50732   1    
     187   .   4   .   2   1    1    HEM   HBC    H   1    1.460     0.001   .   1   .   .   .   .   .   1    HEM   HBC    .   50732   1    

   stop_

save_