###################################
     #  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                     15056
   _Assigned_chem_shift_list.ID                           1
   _Assigned_chem_shift_list.Sample_condition_list_ID     1
   _Assigned_chem_shift_list.Sample_condition_list_label  $sample_conditions_1
   _Assigned_chem_shift_list.Chem_shift_reference_ID      1
   _Assigned_chem_shift_list.Chem_shift_reference_label   $chemical_shift_reference_1
   _Assigned_chem_shift_list.Chem_shift_1H_err            .
   _Assigned_chem_shift_list.Chem_shift_13C_err           .
   _Assigned_chem_shift_list.Chem_shift_15N_err           .
   _Assigned_chem_shift_list.Chem_shift_31P_err           .
   _Assigned_chem_shift_list.Chem_shift_2H_err            .
   _Assigned_chem_shift_list.Chem_shift_19F_err           .
   _Assigned_chem_shift_list.Error_derivation_method      .
   _Assigned_chem_shift_list.Details                      .
   _Assigned_chem_shift_list.Text_data_format             .
   _Assigned_chem_shift_list.Text_data                    .

   loop_
      _Chem_shift_experiment.Experiment_ID
      _Chem_shift_experiment.Experiment_name
      _Chem_shift_experiment.Sample_ID
      _Chem_shift_experiment.Sample_label
      _Chem_shift_experiment.Sample_state
      _Chem_shift_experiment.Entry_ID
      _Chem_shift_experiment.Assigned_chem_shift_list_ID

     1   '2D 1H-15N HSQC'   .   .   .   15056   1    
     2   '2D HNCA'          .   .   .   15056   1    
     3   '2D HNCO'          .   .   .   15056   1    
     6   '2D 1H-13C HSQC'   .   .   .   15056   1    
     7   '2D HNCACB'        .   .   .   15056   1    
     8   '2D HCCH-TOCSY'    .   .   .   15056   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    ACE   CH3    C   13   21.444    0.400   .   1   .   .   .   .   10   ACE   CH3    .   15056   1    
     2     .   1   1   1    1    ACE   QA     H   1    1.981     0.020   .   1   .   .   .   .   10   ACE   QA     .   15056   1    
     3     .   1   1   1    1    ACE   C      C   13   172.410   0.400   .   1   .   .   .   .   10   ACE   C      .   15056   1    
     4     .   1   1   2    2    PHE   H      H   1    8.382     0.020   .   1   .   .   .   .   11   PHE   H      .   15056   1    
     5     .   1   1   2    2    PHE   HA     H   1    4.401     0.020   .   1   .   .   .   .   11   PHE   HA     .   15056   1    
     6     .   1   1   2    2    PHE   HB2    H   1    3.004     0.020   .   2   .   .   .   .   11   PHE   HB2    .   15056   1    
     7     .   1   1   2    2    PHE   HB3    H   1    3.071     0.020   .   2   .   .   .   .   11   PHE   HB3    .   15056   1    
     8     .   1   1   2    2    PHE   C      C   13   172.715   0.400   .   1   .   .   .   .   11   PHE   C      .   15056   1    
     9     .   1   1   2    2    PHE   CA     C   13   56.428    0.400   .   1   .   .   .   .   11   PHE   CA     .   15056   1    
     10    .   1   1   2    2    PHE   CB     C   13   36.967    0.400   .   1   .   .   .   .   11   PHE   CB     .   15056   1    
     11    .   1   1   2    2    PHE   N      N   15   125.010   0.400   .   1   .   .   .   .   11   PHE   N      .   15056   1    
     12    .   1   1   3    3    AIB   N      N   15   133.272   0.400   .   1   .   .   .   .   12   AIB   N      .   15056   1    
     13    .   1   1   3    3    AIB   H      H   1    8.362     0.020   .   1   .   .   .   .   12   AIB   H      .   15056   1    
     14    .   1   1   3    3    AIB   CA     C   13   56.707    0.400   .   1   .   .   .   .   12   AIB   CA     .   15056   1    
     15    .   1   1   3    3    AIB   QB1    H   1    1.310     0.020   .   2   .   .   .   .   12   AIB   QB1    .   15056   1    
     16    .   1   1   3    3    AIB   CB1    C   13   23.745    0.400   .   1   .   .   .   .   12   AIB   CB1    .   15056   1    
     17    .   1   1   3    3    AIB   QB2    H   1    1.337     0.020   .   2   .   .   .   .   12   AIB   QB2    .   15056   1    
     18    .   1   1   3    3    AIB   CB2    C   13   24.463    0.400   .   1   .   .   .   .   12   AIB   CB2    .   15056   1    
     19    .   1   1   3    3    AIB   C      C   13   175.362   0.400   .   1   .   .   .   .   12   AIB   C      .   15056   1    
     20    .   1   1   4    4    AIB   N      N   15   123.383   0.400   .   1   .   .   .   .   13   AIB   N      .   15056   1    
     21    .   1   1   4    4    AIB   H      H   1    7.612     0.020   .   1   .   .   .   .   13   AIB   H      .   15056   1    
     22    .   1   1   4    4    AIB   CA     C   13   56.780    0.400   .   1   .   .   .   .   13   AIB   CA     .   15056   1    
     23    .   1   1   4    4    AIB   QB1    H   1    1.405     0.020   .   2   .   .   .   .   13   AIB   QB1    .   15056   1    
     24    .   1   1   4    4    AIB   CB1    C   13   24.145    0.400   .   1   .   .   .   .   13   AIB   CB1    .   15056   1    
     25    .   1   1   4    4    AIB   QB2    H   1    1.405     0.020   .   2   .   .   .   .   13   AIB   QB2    .   15056   1    
     26    .   1   1   4    4    AIB   CB2    C   13   24.327    0.400   .   1   .   .   .   .   13   AIB   CB2    .   15056   1    
     27    .   1   1   4    4    AIB   C      C   13   176.301   0.400   .   1   .   .   .   .   13   AIB   C      .   15056   1    
     28    .   1   1   5    5    AIB   N      N   15   125.271   0.400   .   1   .   .   .   .   14   AIB   N      .   15056   1    
     29    .   1   1   5    5    AIB   H      H   1    7.927     0.020   .   1   .   .   .   .   14   AIB   H      .   15056   1    
     30    .   1   1   5    5    AIB   CA     C   13   57.023    0.400   .   1   .   .   .   .   14   AIB   CA     .   15056   1    
     31    .   1   1   5    5    AIB   QB1    H   1    1.503     0.020   .   2   .   .   .   .   14   AIB   QB1    .   15056   1    
     32    .   1   1   5    5    AIB   CB1    C   13   24.445    0.400   .   1   .   .   .   .   14   AIB   CB1    .   15056   1    
     33    .   1   1   5    5    AIB   QB2    H   1    1.503     0.020   .   2   .   .   .   .   14   AIB   QB2    .   15056   1    
     34    .   1   1   5    5    AIB   CB2    C   13   24.936    0.400   .   1   .   .   .   .   14   AIB   CB2    .   15056   1    
     35    .   1   1   5    5    AIB   C      C   13   176.530   0.400   .   1   .   .   .   .   14   AIB   C      .   15056   1    
     36    .   1   1   6    6    DIV   N      N   15   121.309   0.400   .   1   .   .   .   .   15   DIV   N      .   15056   1    
     37    .   1   1   6    6    DIV   H      H   1    7.786     0.020   .   1   .   .   .   .   15   DIV   H      .   15056   1    
     38    .   1   1   6    6    DIV   CA     C   13   60.007    0.400   .   1   .   .   .   .   15   DIV   CA     .   15056   1    
     39    .   1   1   6    6    DIV   QB2    H   1    1.465     0.020   .   1   .   .   .   .   15   DIV   QB2    .   15056   1    
     40    .   1   1   6    6    DIV   CB2    C   13   21.194    0.400   .   1   .   .   .   .   15   DIV   CB2    .   15056   1    
     41    .   1   1   6    6    DIV   CB1    C   13   28.677    0.400   .   1   .   .   .   .   15   DIV   CB1    .   15056   1    
     42    .   1   1   6    6    DIV   HB12   H   1    1.849     0.020   .   2   .   .   .   .   15   DIV   HB12   .   15056   1    
     43    .   1   1   6    6    DIV   HB13   H   1    2.140     0.020   .   2   .   .   .   .   15   DIV   HB13   .   15056   1    
     44    .   1   1   6    6    DIV   QG1    H   1    0.900     0.020   .   1   .   .   .   .   15   DIV   QG1    .   15056   1    
     45    .   1   1   6    6    DIV   CG1    C   13   7.093     0.400   .   1   .   .   .   .   15   DIV   CG1    .   15056   1    
     46    .   1   1   6    6    DIV   C      C   13   177.494   0.400   .   1   .   .   .   .   15   DIV   C      .   15056   1    
     47    .   1   1   7    7    GLY   H      H   1    8.186     0.020   .   1   .   .   .   .   16   GLY   H      .   15056   1    
     48    .   1   1   7    7    GLY   HA2    H   1    3.926     0.020   .   2   .   .   .   .   16   GLY   HA2    .   15056   1    
     49    .   1   1   7    7    GLY   HA3    H   1    3.815     0.020   .   2   .   .   .   .   16   GLY   HA3    .   15056   1    
     50    .   1   1   7    7    GLY   C      C   13   172.150   0.400   .   1   .   .   .   .   16   GLY   C      .   15056   1    
     51    .   1   1   7    7    GLY   CA     C   13   43.973    0.400   .   1   .   .   .   .   16   GLY   CA     .   15056   1    
     52    .   1   1   7    7    GLY   N      N   15   101.128   0.400   .   1   .   .   .   .   16   GLY   N      .   15056   1    
     53    .   1   1   8    8    LEU   H      H   1    8.020     0.020   .   1   .   .   .   .   17   LEU   H      .   15056   1    
     54    .   1   1   8    8    LEU   HA     H   1    4.188     0.020   .   1   .   .   .   .   17   LEU   HA     .   15056   1    
     55    .   1   1   8    8    LEU   HB2    H   1    1.627     0.020   .   2   .   .   .   .   17   LEU   HB2    .   15056   1    
     56    .   1   1   8    8    LEU   HB3    H   1    1.884     0.020   .   2   .   .   .   .   17   LEU   HB3    .   15056   1    
     57    .   1   1   8    8    LEU   HG     H   1    1.816     0.020   .   1   .   .   .   .   17   LEU   HG     .   15056   1    
     58    .   1   1   8    8    LEU   HD11   H   1    0.935     0.020   .   2   .   .   .   .   17   LEU   HD1    .   15056   1    
     59    .   1   1   8    8    LEU   HD12   H   1    0.935     0.020   .   2   .   .   .   .   17   LEU   HD1    .   15056   1    
     60    .   1   1   8    8    LEU   HD13   H   1    0.935     0.020   .   2   .   .   .   .   17   LEU   HD1    .   15056   1    
     61    .   1   1   8    8    LEU   HD21   H   1    0.983     0.020   .   2   .   .   .   .   17   LEU   HD2    .   15056   1    
     62    .   1   1   8    8    LEU   HD22   H   1    0.983     0.020   .   2   .   .   .   .   17   LEU   HD2    .   15056   1    
     63    .   1   1   8    8    LEU   HD23   H   1    0.983     0.020   .   2   .   .   .   .   17   LEU   HD2    .   15056   1    
     64    .   1   1   8    8    LEU   C      C   13   173.539   0.400   .   1   .   .   .   .   17   LEU   C      .   15056   1    
     65    .   1   1   8    8    LEU   CA     C   13   54.297    0.400   .   1   .   .   .   .   17   LEU   CA     .   15056   1    
     66    .   1   1   8    8    LEU   CB     C   13   39.650    0.400   .   1   .   .   .   .   17   LEU   CB     .   15056   1    
     67    .   1   1   8    8    LEU   CG     C   13   24.760    0.400   .   1   .   .   .   .   17   LEU   CG     .   15056   1    
     68    .   1   1   8    8    LEU   CD1    C   13   20.570    0.400   .   1   .   .   .   .   17   LEU   CD1    .   15056   1    
     69    .   1   1   8    8    LEU   CD2    C   13   22.290    0.400   .   1   .   .   .   .   17   LEU   CD2    .   15056   1    
     70    .   1   1   8    8    LEU   N      N   15   118.762   0.400   .   1   .   .   .   .   17   LEU   N      .   15056   1    
     71    .   1   1   9    9    AIB   N      N   15   124.729   0.400   .   1   .   .   .   .   18   AIB   N      .   15056   1    
     72    .   1   1   9    9    AIB   H      H   1    7.579     0.020   .   1   .   .   .   .   18   AIB   H      .   15056   1    
     73    .   1   1   9    9    AIB   CA     C   13   57.285    0.400   .   1   .   .   .   .   18   AIB   CA     .   15056   1    
     74    .   1   1   9    9    AIB   QB1    H   1    1.559     0.020   .   2   .   .   .   .   18   AIB   QB1    .   15056   1    
     75    .   1   1   9    9    AIB   CB1    C   13   23.654    0.400   .   1   .   .   .   .   18   AIB   CB1    .   15056   1    
     76    .   1   1   9    9    AIB   QB2    H   1    1.471     0.020   .   2   .   .   .   .   18   AIB   QB2    .   15056   1    
     77    .   1   1   9    9    AIB   CB2    C   13   26.302    0.400   .   1   .   .   .   .   18   AIB   CB2    .   15056   1    
     78    .   1   1   9    9    AIB   C      C   13   176.454   0.400   .   1   .   .   .   .   18   AIB   C      .   15056   1    
     79    .   1   1   10   10   AIB   N      N   15   126.919   0.400   .   1   .   .   .   .   19   AIB   N      .   15056   1    
     80    .   1   1   10   10   AIB   H      H   1    7.674     0.020   .   1   .   .   .   .   19   AIB   H      .   15056   1    
     81    .   1   1   10   10   AIB   CA     C   13   57.321    0.400   .   1   .   .   .   .   19   AIB   CA     .   15056   1    
     82    .   1   1   10   10   AIB   QB1    H   1    1.603     0.020   .   2   .   .   .   .   19   AIB   QB1    .   15056   1    
     83    .   1   1   10   10   AIB   CB1    C   13   23.099    0.400   .   1   .   .   .   .   19   AIB   CB1    .   15056   1    
     84    .   1   1   10   10   AIB   QB2    H   1    1.507     0.020   .   2   .   .   .   .   19   AIB   QB2    .   15056   1    
     85    .   1   1   10   10   AIB   CB2    C   13   25.708    0.400   .   1   .   .   .   .   19   AIB   CB2    .   15056   1    
     86    .   1   1   10   10   AIB   C      C   13   174.563   0.400   .   1   .   .   .   .   19   AIB   C      .   15056   1    
     87    .   1   1   11   11   HYP   CD     C   13   56.974    0.400   .   1   .   .   .   .   20   HYP   CD     .   15056   1    
     88    .   1   1   11   11   HYP   HD2    H   1    3.714     0.020   .   2   .   .   .   .   20   HYP   HD2    .   15056   1    
     89    .   1   1   11   11   HYP   HD3    H   1    3.948     0.020   .   2   .   .   .   .   20   HYP   HD3    .   15056   1    
     90    .   1   1   11   11   HYP   CA     C   13   61.784    0.400   .   1   .   .   .   .   20   HYP   CA     .   15056   1    
     91    .   1   1   11   11   HYP   HA     H   1    4.606     0.020   .   1   .   .   .   .   20   HYP   HA     .   15056   1    
     92    .   1   1   11   11   HYP   CB     C   13   37.005    0.400   .   1   .   .   .   .   20   HYP   CB     .   15056   1    
     93    .   1   1   11   11   HYP   HB2    H   1    1.959     0.020   .   2   .   .   .   .   20   HYP   HB2    .   15056   1    
     94    .   1   1   11   11   HYP   HB3    H   1    2.364     0.020   .   2   .   .   .   .   20   HYP   HB3    .   15056   1    
     95    .   1   1   11   11   HYP   CG     C   13   70.267    0.400   .   1   .   .   .   .   20   HYP   CG     .   15056   1    
     96    .   1   1   11   11   HYP   HG     H   1    4.495     0.020   .   1   .   .   .   .   20   HYP   HG     .   15056   1    
     97    .   1   1   11   11   HYP   C      C   13   173.841   0.400   .   1   .   .   .   .   20   HYP   C      .   15056   1    
     98    .   1   1   12   12   GLN   H      H   1    8.254     0.020   .   1   .   .   .   .   21   GLN   H      .   15056   1    
     99    .   1   1   12   12   GLN   HA     H   1    4.348     0.020   .   1   .   .   .   .   21   GLN   HA     .   15056   1    
     100   .   1   1   12   12   GLN   HB2    H   1    2.138     0.020   .   2   .   .   .   .   21   GLN   HB2    .   15056   1    
     101   .   1   1   12   12   GLN   HB3    H   1    2.367     0.020   .   2   .   .   .   .   21   GLN   HB3    .   15056   1    
     102   .   1   1   12   12   GLN   HG2    H   1    2.357     0.020   .   1   .   .   .   .   21   GLN   HG2    .   15056   1    
     103   .   1   1   12   12   GLN   HG3    H   1    2.357     0.020   .   1   .   .   .   .   21   GLN   HG3    .   15056   1    
     104   .   1   1   12   12   GLN   HE21   H   1    7.490     0.020   .   2   .   .   .   .   21   GLN   HE21   .   15056   1    
     105   .   1   1   12   12   GLN   HE22   H   1    6.719     0.020   .   2   .   .   .   .   21   GLN   HE22   .   15056   1    
     106   .   1   1   12   12   GLN   C      C   13   172.384   0.400   .   1   .   .   .   .   21   GLN   C      .   15056   1    
     107   .   1   1   12   12   GLN   CA     C   13   53.657    0.400   .   1   .   .   .   .   21   GLN   CA     .   15056   1    
     108   .   1   1   12   12   GLN   CB     C   13   27.250    0.400   .   1   .   .   .   .   21   GLN   CB     .   15056   1    
     109   .   1   1   12   12   GLN   CG     C   13   31.927    0.400   .   1   .   .   .   .   21   GLN   CG     .   15056   1    
     110   .   1   1   12   12   GLN   N      N   15   110.665   0.400   .   1   .   .   .   .   21   GLN   N      .   15056   1    
     111   .   1   1   12   12   GLN   NE2    N   15   106.147   0.400   .   1   .   .   .   .   21   GLN   NE2    .   15056   1    
     112   .   1   1   13   13   DIV   N      N   15   124.719   0.400   .   1   .   .   .   .   22   DIV   N      .   15056   1    
     113   .   1   1   13   13   DIV   H      H   1    7.625     0.020   .   1   .   .   .   .   22   DIV   H      .   15056   1    
     114   .   1   1   13   13   DIV   CA     C   13   59.606    0.400   .   1   .   .   .   .   22   DIV   CA     .   15056   1    
     115   .   1   1   13   13   DIV   QB2    H   1    1.560     0.020   .   1   .   .   .   .   22   DIV   QB2    .   15056   1    
     116   .   1   1   13   13   DIV   CB2    C   13   20.235    0.400   .   1   .   .   .   .   22   DIV   CB2    .   15056   1    
     117   .   1   1   13   13   DIV   CB1    C   13   28.540    0.400   .   1   .   .   .   .   22   DIV   CB1    .   15056   1    
     118   .   1   1   13   13   DIV   HB12   H   1    1.888     0.020   .   2   .   .   .   .   22   DIV   HB12   .   15056   1    
     119   .   1   1   13   13   DIV   HB13   H   1    2.281     0.020   .   2   .   .   .   .   22   DIV   HB13   .   15056   1    
     120   .   1   1   13   13   DIV   QG1    H   1    0.865     0.020   .   1   .   .   .   .   22   DIV   QG1    .   15056   1    
     121   .   1   1   13   13   DIV   CG1    C   13   6.938     0.400   .   1   .   .   .   .   22   DIV   CG1    .   15056   1    
     122   .   1   1   13   13   DIV   C      C   13   174.036   0.400   .   1   .   .   .   .   22   DIV   C      .   15056   1    
     123   .   1   1   14   14   HYP   CD     C   13   57.280    0.400   .   1   .   .   .   .   23   HYP   CD     .   15056   1    
     124   .   1   1   14   14   HYP   HD2    H   1    3.541     0.020   .   2   .   .   .   .   23   HYP   HD2    .   15056   1    
     125   .   1   1   14   14   HYP   HD3    H   1    3.895     0.020   .   2   .   .   .   .   23   HYP   HD3    .   15056   1    
     126   .   1   1   14   14   HYP   CA     C   13   61.308    0.400   .   1   .   .   .   .   23   HYP   CA     .   15056   1    
     127   .   1   1   14   14   HYP   HA     H   1    4.763     0.020   .   1   .   .   .   .   23   HYP   HA     .   15056   1    
     128   .   1   1   14   14   HYP   CB     C   13   37.385    0.400   .   1   .   .   .   .   23   HYP   CB     .   15056   1    
     129   .   1   1   14   14   HYP   HB2    H   1    1.857     0.020   .   2   .   .   .   .   23   HYP   HB2    .   15056   1    
     130   .   1   1   14   14   HYP   HB3    H   1    2.364     0.020   .   2   .   .   .   .   23   HYP   HB3    .   15056   1    
     131   .   1   1   14   14   HYP   CG     C   13   70.381    0.400   .   1   .   .   .   .   23   HYP   CG     .   15056   1    
     132   .   1   1   14   14   HYP   HG     H   1    4.426     0.020   .   1   .   .   .   .   23   HYP   HG     .   15056   1    
     133   .   1   1   14   14   HYP   C      C   13   173.610   0.400   .   1   .   .   .   .   23   HYP   C      .   15056   1    
     134   .   1   1   15   15   AIB   N      N   15   127.340   0.400   .   1   .   .   .   .   24   AIB   N      .   15056   1    
     135   .   1   1   15   15   AIB   H      H   1    8.163     0.020   .   1   .   .   .   .   24   AIB   H      .   15056   1    
     136   .   1   1   15   15   AIB   CA     C   13   56.772    0.400   .   1   .   .   .   .   24   AIB   CA     .   15056   1    
     137   .   1   1   15   15   AIB   QB1    H   1    1.538     0.020   .   2   .   .   .   .   24   AIB   QB1    .   15056   1    
     138   .   1   1   15   15   AIB   CB1    C   13   23.208    0.400   .   1   .   .   .   .   24   AIB   CB1    .   15056   1    
     139   .   1   1   15   15   AIB   QB2    H   1    1.465     0.020   .   2   .   .   .   .   24   AIB   QB2    .   15056   1    
     140   .   1   1   15   15   AIB   CB2    C   13   25.099    0.400   .   1   .   .   .   .   24   AIB   CB2    .   15056   1    
     141   .   1   1   15   15   AIB   C      C   13   173.725   0.400   .   1   .   .   .   .   24   AIB   C      .   15056   1    
     142   .   1   1   16   16   PRO   HA     H   1    4.318     0.020   .   1   .   .   .   .   25   PRO   HA     .   15056   1    
     143   .   1   1   16   16   PRO   HB2    H   1    1.262     0.020   .   2   .   .   .   .   25   PRO   HB2    .   15056   1    
     144   .   1   1   16   16   PRO   HB3    H   1    2.027     0.020   .   2   .   .   .   .   25   PRO   HB3    .   15056   1    
     145   .   1   1   16   16   PRO   HG2    H   1    1.689     0.020   .   1   .   .   .   .   25   PRO   HG2    .   15056   1    
     146   .   1   1   16   16   PRO   HG3    H   1    1.689     0.020   .   1   .   .   .   .   25   PRO   HG3    .   15056   1    
     147   .   1   1   16   16   PRO   HD2    H   1    3.705     0.020   .   2   .   .   .   .   25   PRO   HD2    .   15056   1    
     148   .   1   1   16   16   PRO   HD3    H   1    3.851     0.020   .   2   .   .   .   .   25   PRO   HD3    .   15056   1    
     149   .   1   1   16   16   PRO   C      C   13   172.915   0.400   .   1   .   .   .   .   25   PRO   C      .   15056   1    
     150   .   1   1   16   16   PRO   CA     C   13   62.947    0.400   .   1   .   .   .   .   25   PRO   CA     .   15056   1    
     151   .   1   1   16   16   PRO   CB     C   13   28.831    0.400   .   1   .   .   .   .   25   PRO   CB     .   15056   1    
     152   .   1   1   16   16   PRO   CG     C   13   25.245    0.400   .   1   .   .   .   .   25   PRO   CG     .   15056   1    
     153   .   1   1   16   16   PRO   CD     C   13   48.808    0.400   .   1   .   .   .   .   25   PRO   CD     .   15056   1    
     154   .   1   1   17   17   PHL   N      N   15   117.698   0.400   .   1   .   .   .   .   26   PHL   N      .   15056   1    
     155   .   1   1   17   17   PHL   H      H   1    7.567     0.020   .   1   .   .   .   .   26   PHL   H      .   15056   1    
     156   .   1   1   17   17   PHL   CA     C   13   53.671    0.400   .   1   .   .   .   .   26   PHL   CA     .   15056   1    
     157   .   1   1   17   17   PHL   HA     H   1    4.150     0.020   .   1   .   .   .   .   26   PHL   HA     .   15056   1    
     158   .   1   1   17   17   PHL   CB     C   13   36.738    0.400   .   1   .   .   .   .   26   PHL   CB     .   15056   1    
     159   .   1   1   17   17   PHL   HB2    H   1    2.763     0.020   .   2   .   .   .   .   26   PHL   HB2    .   15056   1    
     160   .   1   1   17   17   PHL   HB3    H   1    2.998     0.020   .   2   .   .   .   .   26   PHL   HB3    .   15056   1    
     161   .   1   1   17   17   PHL   C      C   13   64.215    0.400   .   1   .   .   .   .   26   PHL   C      .   15056   1    
     162   .   1   1   17   17   PHL   H1     H   1    3.633     0.020   .   2   .   .   .   .   26   PHL   H1     .   15056   1    
     163   .   1   1   17   17   PHL   H2     H   1    3.633     0.020   .   2   .   .   .   .   26   PHL   H2     .   15056   1    

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