###################################
     #  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_assignment_data_set_one
   _Assigned_chem_shift_list.Sf_category                  assigned_chemical_shifts
   _Assigned_chem_shift_list.Sf_framecode                 chemical_shift_assignment_data_set_one
   _Assigned_chem_shift_list.Entry_ID                     937
   _Assigned_chem_shift_list.ID                           1
   _Assigned_chem_shift_list.Sample_condition_list_ID     1
   _Assigned_chem_shift_list.Sample_condition_list_label  $sample_condition_set_one
   _Assigned_chem_shift_list.Chem_shift_reference_ID      1
   _Assigned_chem_shift_list.Chem_shift_reference_label   $chem_shift_reference_par_set_one
   _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_one   .   937   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    PHE   HA     H   1   4.28   .   .   1   .   .   .   .   .   .   .   .   937   1    
     2     .   1   1   1    1    PHE   HB2    H   1   3.14   .   .   1   .   .   .   .   .   .   .   .   937   1    
     3     .   1   1   1    1    PHE   HB3    H   1   3.14   .   .   1   .   .   .   .   .   .   .   .   937   1    
     4     .   1   1   1    1    PHE   HD1    H   1   7.26   .   .   1   .   .   .   .   .   .   .   .   937   1    
     5     .   1   1   1    1    PHE   HD2    H   1   7.26   .   .   1   .   .   .   .   .   .   .   .   937   1    
     6     .   1   1   1    1    PHE   HE1    H   1   7.38   .   .   1   .   .   .   .   .   .   .   .   937   1    
     7     .   1   1   1    1    PHE   HE2    H   1   7.38   .   .   1   .   .   .   .   .   .   .   .   937   1    
     8     .   1   1   1    1    PHE   HZ     H   1   7.38   .   .   1   .   .   .   .   .   .   .   .   937   1    
     9     .   1   1   2    2    VAL   H      H   1   8.16   .   .   1   .   .   .   .   .   .   .   .   937   1    
     10    .   1   1   2    2    VAL   HA     H   1   4.09   .   .   1   .   .   .   .   .   .   .   .   937   1    
     11    .   1   1   2    2    VAL   HB     H   1   1.88   .   .   1   .   .   .   .   .   .   .   .   937   1    
     12    .   1   1   2    2    VAL   HG11   H   1   .94    .   .   2   .   .   .   .   .   .   .   .   937   1    
     13    .   1   1   2    2    VAL   HG12   H   1   .94    .   .   2   .   .   .   .   .   .   .   .   937   1    
     14    .   1   1   2    2    VAL   HG13   H   1   .94    .   .   2   .   .   .   .   .   .   .   .   937   1    
     15    .   1   1   2    2    VAL   HG21   H   1   .96    .   .   2   .   .   .   .   .   .   .   .   937   1    
     16    .   1   1   2    2    VAL   HG22   H   1   .96    .   .   2   .   .   .   .   .   .   .   .   937   1    
     17    .   1   1   2    2    VAL   HG23   H   1   .96    .   .   2   .   .   .   .   .   .   .   .   937   1    
     18    .   1   1   3    3    ASN   H      H   1   8.52   .   .   1   .   .   .   .   .   .   .   .   937   1    
     19    .   1   1   3    3    ASN   HA     H   1   4.68   .   .   1   .   .   .   .   .   .   .   .   937   1    
     20    .   1   1   3    3    ASN   HB2    H   1   2.71   .   .   1   .   .   .   .   .   .   .   .   937   1    
     21    .   1   1   3    3    ASN   HB3    H   1   2.71   .   .   1   .   .   .   .   .   .   .   .   937   1    
     22    .   1   1   3    3    ASN   HD21   H   1   6.69   .   .   2   .   .   .   .   .   .   .   .   937   1    
     23    .   1   1   3    3    ASN   HD22   H   1   7.49   .   .   2   .   .   .   .   .   .   .   .   937   1    
     24    .   1   1   4    4    GLN   H      H   1   8.41   .   .   1   .   .   .   .   .   .   .   .   937   1    
     25    .   1   1   4    4    GLN   HA     H   1   4.45   .   .   1   .   .   .   .   .   .   .   .   937   1    
     26    .   1   1   4    4    GLN   HB2    H   1   1.87   .   .   1   .   .   .   .   .   .   .   .   937   1    
     27    .   1   1   4    4    GLN   HB3    H   1   1.87   .   .   1   .   .   .   .   .   .   .   .   937   1    
     28    .   1   1   4    4    GLN   HG2    H   1   2.23   .   .   2   .   .   .   .   .   .   .   .   937   1    
     29    .   1   1   4    4    GLN   HG3    H   1   2.07   .   .   2   .   .   .   .   .   .   .   .   937   1    
     30    .   1   1   4    4    GLN   HE21   H   1   6.77   .   .   2   .   .   .   .   .   .   .   .   937   1    
     31    .   1   1   4    4    GLN   HE22   H   1   7.36   .   .   2   .   .   .   .   .   .   .   .   937   1    
     32    .   1   1   5    5    HIS   H      H   1   8.69   .   .   1   .   .   .   .   .   .   .   .   937   1    
     33    .   1   1   5    5    HIS   HA     H   1   4.5    .   .   1   .   .   .   .   .   .   .   .   937   1    
     34    .   1   1   5    5    HIS   HB2    H   1   3.25   .   .   2   .   .   .   .   .   .   .   .   937   1    
     35    .   1   1   5    5    HIS   HB3    H   1   3.54   .   .   2   .   .   .   .   .   .   .   .   937   1    
     36    .   1   1   5    5    HIS   HD2    H   1   7.33   .   .   1   .   .   .   .   .   .   .   .   937   1    
     37    .   1   1   5    5    HIS   HE1    H   1   8.59   .   .   1   .   .   .   .   .   .   .   .   937   1    
     38    .   1   1   6    6    LEU   H      H   1   8.95   .   .   1   .   .   .   .   .   .   .   .   937   1    
     39    .   1   1   6    6    LEU   HA     H   1   4.47   .   .   1   .   .   .   .   .   .   .   .   937   1    
     40    .   1   1   6    6    LEU   HB2    H   1   1.73   .   .   1   .   .   .   .   .   .   .   .   937   1    
     41    .   1   1   6    6    LEU   HB3    H   1   1.73   .   .   1   .   .   .   .   .   .   .   .   937   1    
     42    .   1   1   6    6    LEU   HG     H   1   1.6    .   .   1   .   .   .   .   .   .   .   .   937   1    
     43    .   1   1   6    6    LEU   HD11   H   1   .71    .   .   2   .   .   .   .   .   .   .   .   937   1    
     44    .   1   1   6    6    LEU   HD12   H   1   .71    .   .   2   .   .   .   .   .   .   .   .   937   1    
     45    .   1   1   6    6    LEU   HD13   H   1   .71    .   .   2   .   .   .   .   .   .   .   .   937   1    
     46    .   1   1   6    6    LEU   HD21   H   1   .87    .   .   2   .   .   .   .   .   .   .   .   937   1    
     47    .   1   1   6    6    LEU   HD22   H   1   .87    .   .   2   .   .   .   .   .   .   .   .   937   1    
     48    .   1   1   6    6    LEU   HD23   H   1   .87    .   .   2   .   .   .   .   .   .   .   .   937   1    
     49    .   1   1   7    7    CYS   H      H   1   8.4    .   .   1   .   .   .   .   .   .   .   .   937   1    
     50    .   1   1   7    7    CYS   HA     H   1   4.97   .   .   1   .   .   .   .   .   .   .   .   937   1    
     51    .   1   1   7    7    CYS   HB2    H   1   2.96   .   .   2   .   .   .   .   .   .   .   .   937   1    
     52    .   1   1   7    7    CYS   HB3    H   1   3.25   .   .   2   .   .   .   .   .   .   .   .   937   1    
     53    .   1   1   8    8    GLY   H      H   1   9.28   .   .   1   .   .   .   .   .   .   .   .   937   1    
     54    .   1   1   8    8    GLY   HA2    H   1   3.83   .   .   2   .   .   .   .   .   .   .   .   937   1    
     55    .   1   1   8    8    GLY   HA3    H   1   4.02   .   .   2   .   .   .   .   .   .   .   .   937   1    
     56    .   1   1   9    9    SER   H      H   1   9.19   .   .   1   .   .   .   .   .   .   .   .   937   1    
     57    .   1   1   9    9    SER   HA     H   1   4.14   .   .   1   .   .   .   .   .   .   .   .   937   1    
     58    .   1   1   9    9    SER   HB2    H   1   3.88   .   .   1   .   .   .   .   .   .   .   .   937   1    
     59    .   1   1   9    9    SER   HB3    H   1   3.88   .   .   1   .   .   .   .   .   .   .   .   937   1    
     60    .   1   1   10   10   HIS   H      H   1   8.07   .   .   1   .   .   .   .   .   .   .   .   937   1    
     61    .   1   1   10   10   HIS   HA     H   1   4.5    .   .   1   .   .   .   .   .   .   .   .   937   1    
     62    .   1   1   10   10   HIS   HB2    H   1   3.26   .   .   2   .   .   .   .   .   .   .   .   937   1    
     63    .   1   1   10   10   HIS   HB3    H   1   3.59   .   .   2   .   .   .   .   .   .   .   .   937   1    
     64    .   1   1   10   10   HIS   HD2    H   1   7.44   .   .   1   .   .   .   .   .   .   .   .   937   1    
     65    .   1   1   10   10   HIS   HE1    H   1   8.65   .   .   1   .   .   .   .   .   .   .   .   937   1    
     66    .   1   1   11   11   LEU   H      H   1   7.89   .   .   1   .   .   .   .   .   .   .   .   937   1    
     67    .   1   1   11   11   LEU   HA     H   1   4.11   .   .   1   .   .   .   .   .   .   .   .   937   1    
     68    .   1   1   11   11   LEU   HB2    H   1   1.93   .   .   1   .   .   .   .   .   .   .   .   937   1    
     69    .   1   1   11   11   LEU   HB3    H   1   1.93   .   .   1   .   .   .   .   .   .   .   .   937   1    
     70    .   1   1   11   11   LEU   HG     H   1   1.7    .   .   1   .   .   .   .   .   .   .   .   937   1    
     71    .   1   1   11   11   LEU   HD11   H   1   .74    .   .   2   .   .   .   .   .   .   .   .   937   1    
     72    .   1   1   11   11   LEU   HD12   H   1   .74    .   .   2   .   .   .   .   .   .   .   .   937   1    
     73    .   1   1   11   11   LEU   HD13   H   1   .74    .   .   2   .   .   .   .   .   .   .   .   937   1    
     74    .   1   1   11   11   LEU   HD21   H   1   .9     .   .   2   .   .   .   .   .   .   .   .   937   1    
     75    .   1   1   11   11   LEU   HD22   H   1   .9     .   .   2   .   .   .   .   .   .   .   .   937   1    
     76    .   1   1   11   11   LEU   HD23   H   1   .9     .   .   2   .   .   .   .   .   .   .   .   937   1    
     77    .   1   1   12   12   VAL   H      H   1   7.17   .   .   1   .   .   .   .   .   .   .   .   937   1    
     78    .   1   1   12   12   VAL   HA     H   1   3.33   .   .   1   .   .   .   .   .   .   .   .   937   1    
     79    .   1   1   12   12   VAL   HB     H   1   2.05   .   .   1   .   .   .   .   .   .   .   .   937   1    
     80    .   1   1   12   12   VAL   HG11   H   1   .98    .   .   1   .   .   .   .   .   .   .   .   937   1    
     81    .   1   1   12   12   VAL   HG12   H   1   .98    .   .   1   .   .   .   .   .   .   .   .   937   1    
     82    .   1   1   12   12   VAL   HG13   H   1   .98    .   .   1   .   .   .   .   .   .   .   .   937   1    
     83    .   1   1   12   12   VAL   HG21   H   1   .98    .   .   1   .   .   .   .   .   .   .   .   937   1    
     84    .   1   1   12   12   VAL   HG22   H   1   .98    .   .   1   .   .   .   .   .   .   .   .   937   1    
     85    .   1   1   12   12   VAL   HG23   H   1   .98    .   .   1   .   .   .   .   .   .   .   .   937   1    
     86    .   1   1   13   13   GLU   H      H   1   7.88   .   .   1   .   .   .   .   .   .   .   .   937   1    
     87    .   1   1   13   13   GLU   HA     H   1   4.15   .   .   1   .   .   .   .   .   .   .   .   937   1    
     88    .   1   1   13   13   GLU   HB2    H   1   2.05   .   .   2   .   .   .   .   .   .   .   .   937   1    
     89    .   1   1   13   13   GLU   HB3    H   1   2.17   .   .   2   .   .   .   .   .   .   .   .   937   1    
     90    .   1   1   13   13   GLU   HG2    H   1   2.6    .   .   1   .   .   .   .   .   .   .   .   937   1    
     91    .   1   1   13   13   GLU   HG3    H   1   2.6    .   .   1   .   .   .   .   .   .   .   .   937   1    
     92    .   1   1   14   14   ALA   H      H   1   7.67   .   .   1   .   .   .   .   .   .   .   .   937   1    
     93    .   1   1   14   14   ALA   HA     H   1   4.1    .   .   1   .   .   .   .   .   .   .   .   937   1    
     94    .   1   1   14   14   ALA   HB1    H   1   1.47   .   .   1   .   .   .   .   .   .   .   .   937   1    
     95    .   1   1   14   14   ALA   HB2    H   1   1.47   .   .   1   .   .   .   .   .   .   .   .   937   1    
     96    .   1   1   14   14   ALA   HB3    H   1   1.47   .   .   1   .   .   .   .   .   .   .   .   937   1    
     97    .   1   1   15   15   LEU   H      H   1   8.06   .   .   1   .   .   .   .   .   .   .   .   937   1    
     98    .   1   1   15   15   LEU   HA     H   1   3.85   .   .   1   .   .   .   .   .   .   .   .   937   1    
     99    .   1   1   15   15   LEU   HB2    H   1   1.45   .   .   1   .   .   .   .   .   .   .   .   937   1    
     100   .   1   1   15   15   LEU   HB3    H   1   1.45   .   .   1   .   .   .   .   .   .   .   .   937   1    
     101   .   1   1   15   15   LEU   HG     H   1   1.32   .   .   1   .   .   .   .   .   .   .   .   937   1    
     102   .   1   1   15   15   LEU   HD11   H   1   .4     .   .   2   .   .   .   .   .   .   .   .   937   1    
     103   .   1   1   15   15   LEU   HD12   H   1   .4     .   .   2   .   .   .   .   .   .   .   .   937   1    
     104   .   1   1   15   15   LEU   HD13   H   1   .4     .   .   2   .   .   .   .   .   .   .   .   937   1    
     105   .   1   1   15   15   LEU   HD21   H   1   .65    .   .   2   .   .   .   .   .   .   .   .   937   1    
     106   .   1   1   15   15   LEU   HD22   H   1   .65    .   .   2   .   .   .   .   .   .   .   .   937   1    
     107   .   1   1   15   15   LEU   HD23   H   1   .65    .   .   2   .   .   .   .   .   .   .   .   937   1    
     108   .   1   1   16   16   TYR   H      H   1   8.15   .   .   1   .   .   .   .   .   .   .   .   937   1    
     109   .   1   1   16   16   TYR   HA     H   1   4.28   .   .   1   .   .   .   .   .   .   .   .   937   1    
     110   .   1   1   16   16   TYR   HB2    H   1   3.12   .   .   1   .   .   .   .   .   .   .   .   937   1    
     111   .   1   1   16   16   TYR   HB3    H   1   3.12   .   .   1   .   .   .   .   .   .   .   .   937   1    
     112   .   1   1   16   16   TYR   HD1    H   1   7.18   .   .   1   .   .   .   .   .   .   .   .   937   1    
     113   .   1   1   16   16   TYR   HD2    H   1   7.18   .   .   1   .   .   .   .   .   .   .   .   937   1    
     114   .   1   1   16   16   TYR   HE1    H   1   6.81   .   .   1   .   .   .   .   .   .   .   .   937   1    
     115   .   1   1   16   16   TYR   HE2    H   1   6.81   .   .   1   .   .   .   .   .   .   .   .   937   1    
     116   .   1   1   17   17   LEU   H      H   1   7.71   .   .   1   .   .   .   .   .   .   .   .   937   1    
     117   .   1   1   17   17   LEU   HA     H   1   4.07   .   .   1   .   .   .   .   .   .   .   .   937   1    
     118   .   1   1   17   17   LEU   HB2    H   1   1.92   .   .   1   .   .   .   .   .   .   .   .   937   1    
     119   .   1   1   17   17   LEU   HB3    H   1   1.92   .   .   1   .   .   .   .   .   .   .   .   937   1    
     120   .   1   1   17   17   LEU   HG     H   1   1.7    .   .   1   .   .   .   .   .   .   .   .   937   1    
     121   .   1   1   17   17   LEU   HD11   H   1   .92    .   .   1   .   .   .   .   .   .   .   .   937   1    
     122   .   1   1   17   17   LEU   HD12   H   1   .92    .   .   1   .   .   .   .   .   .   .   .   937   1    
     123   .   1   1   17   17   LEU   HD13   H   1   .92    .   .   1   .   .   .   .   .   .   .   .   937   1    
     124   .   1   1   17   17   LEU   HD21   H   1   .92    .   .   1   .   .   .   .   .   .   .   .   937   1    
     125   .   1   1   17   17   LEU   HD22   H   1   .92    .   .   1   .   .   .   .   .   .   .   .   937   1    
     126   .   1   1   17   17   LEU   HD23   H   1   .92    .   .   1   .   .   .   .   .   .   .   .   937   1    
     127   .   1   1   18   18   VAL   H      H   1   8.35   .   .   1   .   .   .   .   .   .   .   .   937   1    
     128   .   1   1   18   18   VAL   HA     H   1   3.83   .   .   1   .   .   .   .   .   .   .   .   937   1    
     129   .   1   1   18   18   VAL   HB     H   1   2.04   .   .   1   .   .   .   .   .   .   .   .   937   1    
     130   .   1   1   18   18   VAL   HG11   H   1   .84    .   .   2   .   .   .   .   .   .   .   .   937   1    
     131   .   1   1   18   18   VAL   HG12   H   1   .84    .   .   2   .   .   .   .   .   .   .   .   937   1    
     132   .   1   1   18   18   VAL   HG13   H   1   .84    .   .   2   .   .   .   .   .   .   .   .   937   1    
     133   .   1   1   18   18   VAL   HG21   H   1   .98    .   .   2   .   .   .   .   .   .   .   .   937   1    
     134   .   1   1   18   18   VAL   HG22   H   1   .98    .   .   2   .   .   .   .   .   .   .   .   937   1    
     135   .   1   1   18   18   VAL   HG23   H   1   .98    .   .   2   .   .   .   .   .   .   .   .   937   1    
     136   .   1   1   19   19   CYS   H      H   1   8.66   .   .   1   .   .   .   .   .   .   .   .   937   1    
     137   .   1   1   19   19   CYS   HA     H   1   4.77   .   .   1   .   .   .   .   .   .   .   .   937   1    
     138   .   1   1   19   19   CYS   HB2    H   1   2.92   .   .   2   .   .   .   .   .   .   .   .   937   1    
     139   .   1   1   19   19   CYS   HB3    H   1   3.25   .   .   2   .   .   .   .   .   .   .   .   937   1    
     140   .   1   1   20   20   GLY   H      H   1   7.73   .   .   1   .   .   .   .   .   .   .   .   937   1    
     141   .   1   1   20   20   GLY   HA2    H   1   3.87   .   .   2   .   .   .   .   .   .   .   .   937   1    
     142   .   1   1   20   20   GLY   HA3    H   1   3.95   .   .   2   .   .   .   .   .   .   .   .   937   1    
     143   .   1   1   21   21   GLU   H      H   1   8.57   .   .   1   .   .   .   .   .   .   .   .   937   1    
     144   .   1   1   21   21   GLU   HA     H   1   4.22   .   .   1   .   .   .   .   .   .   .   .   937   1    
     145   .   1   1   21   21   GLU   HB2    H   1   2.12   .   .   2   .   .   .   .   .   .   .   .   937   1    
     146   .   1   1   21   21   GLU   HB3    H   1   2.22   .   .   2   .   .   .   .   .   .   .   .   937   1    
     147   .   1   1   21   21   GLU   HG2    H   1   2.5    .   .   1   .   .   .   .   .   .   .   .   937   1    
     148   .   1   1   21   21   GLU   HG3    H   1   2.5    .   .   1   .   .   .   .   .   .   .   .   937   1    
     149   .   1   1   22   22   ARG   H      H   1   8.09   .   .   1   .   .   .   .   .   .   .   .   937   1    
     150   .   1   1   22   22   ARG   HA     H   1   4.19   .   .   1   .   .   .   .   .   .   .   .   937   1    
     151   .   1   1   22   22   ARG   HB2    H   1   1.95   .   .   1   .   .   .   .   .   .   .   .   937   1    
     152   .   1   1   22   22   ARG   HB3    H   1   1.95   .   .   1   .   .   .   .   .   .   .   .   937   1    
     153   .   1   1   22   22   ARG   HG2    H   1   1.78   .   .   1   .   .   .   .   .   .   .   .   937   1    
     154   .   1   1   22   22   ARG   HG3    H   1   1.78   .   .   1   .   .   .   .   .   .   .   .   937   1    
     155   .   1   1   22   22   ARG   HD2    H   1   3.27   .   .   1   .   .   .   .   .   .   .   .   937   1    
     156   .   1   1   22   22   ARG   HD3    H   1   3.27   .   .   1   .   .   .   .   .   .   .   .   937   1    
     157   .   1   1   22   22   ARG   HE     H   1   7.12   .   .   1   .   .   .   .   .   .   .   .   937   1    
     158   .   1   1   23   23   GLY   H      H   1   7.65   .   .   1   .   .   .   .   .   .   .   .   937   1    
     159   .   1   1   23   23   GLY   HA2    H   1   3.78   .   .   2   .   .   .   .   .   .   .   .   937   1    
     160   .   1   1   23   23   GLY   HA3    H   1   3.99   .   .   2   .   .   .   .   .   .   .   .   937   1    
     161   .   1   1   24   24   PHE   H      H   1   7.68   .   .   1   .   .   .   .   .   .   .   .   937   1    
     162   .   1   1   24   24   PHE   HA     H   1   4.97   .   .   1   .   .   .   .   .   .   .   .   937   1    
     163   .   1   1   24   24   PHE   HB2    H   1   2.88   .   .   2   .   .   .   .   .   .   .   .   937   1    
     164   .   1   1   24   24   PHE   HB3    H   1   3.09   .   .   2   .   .   .   .   .   .   .   .   937   1    
     165   .   1   1   24   24   PHE   HD1    H   1   6.84   .   .   1   .   .   .   .   .   .   .   .   937   1    
     166   .   1   1   24   24   PHE   HD2    H   1   6.84   .   .   1   .   .   .   .   .   .   .   .   937   1    
     167   .   1   1   24   24   PHE   HE1    H   1   7.09   .   .   1   .   .   .   .   .   .   .   .   937   1    
     168   .   1   1   24   24   PHE   HE2    H   1   7.09   .   .   1   .   .   .   .   .   .   .   .   937   1    
     169   .   1   1   24   24   PHE   HZ     H   1   7.2    .   .   1   .   .   .   .   .   .   .   .   937   1    
     170   .   1   1   25   25   PHE   H      H   1   8.37   .   .   1   .   .   .   .   .   .   .   .   937   1    
     171   .   1   1   25   25   PHE   HA     H   1   4.76   .   .   1   .   .   .   .   .   .   .   .   937   1    
     172   .   1   1   25   25   PHE   HB2    H   1   3.16   .   .   1   .   .   .   .   .   .   .   .   937   1    
     173   .   1   1   25   25   PHE   HB3    H   1   3.16   .   .   1   .   .   .   .   .   .   .   .   937   1    
     174   .   1   1   25   25   PHE   HD1    H   1   7.23   .   .   1   .   .   .   .   .   .   .   .   937   1    
     175   .   1   1   25   25   PHE   HD2    H   1   7.23   .   .   1   .   .   .   .   .   .   .   .   937   1    
     176   .   1   1   25   25   PHE   HE1    H   1   7.29   .   .   1   .   .   .   .   .   .   .   .   937   1    
     177   .   1   1   25   25   PHE   HE2    H   1   7.29   .   .   1   .   .   .   .   .   .   .   .   937   1    
     178   .   1   1   25   25   PHE   HZ     H   1   7.38   .   .   1   .   .   .   .   .   .   .   .   937   1    

   stop_

save_