###################################
     #  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                     50933
   _Assigned_chem_shift_list.ID                           1
   _Assigned_chem_shift_list.Name                         RNA5
   _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-13C HMQC'   .   .   .   50933   1    
     2   '2D 1H-1H TOCSY'   .   .   .   50933   1    
     3   '2D 1H-1H NOESY'   .   .   .   50933   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   .   .   50933   1    
     2   $software_2   .   .   50933   1    
     3   $software_3   .   .   50933   1    
     4   $software_4   .   .   50933   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   1    1    G   H1    H   1    12.6709    0.0000   .   1   .   .   .   .   .   1    G   H1    .   50933   1    
     2     .   1   .   1   1    1    G   H1'   H   1    5.8303     0.0000   .   1   .   .   .   .   .   1    G   H1'   .   50933   1    
     3     .   1   .   1   1    1    G   H2'   H   1    4.9109     0.0000   .   1   .   .   .   .   .   1    G   H2'   .   50933   1    
     4     .   1   .   1   1    1    G   H3'   H   1    4.6909     0.0000   .   1   .   .   .   .   .   1    G   H3'   .   50933   1    
     5     .   1   .   1   1    1    G   H8    H   1    8.1318     0.0000   .   1   .   .   .   .   .   1    G   H8    .   50933   1    
     6     .   1   .   1   1    1    G   C8    C   13   138.7245   0.0000   .   1   .   .   .   .   .   1    G   C8    .   50933   1    
     7     .   1   .   1   2    2    G   H1    H   1    12.6718    0.0000   .   1   .   .   .   .   .   2    G   H1    .   50933   1    
     8     .   1   .   1   2    2    G   H1'   H   1    5.9321     0.0000   .   1   .   .   .   .   .   2    G   H1'   .   50933   1    
     9     .   1   .   1   2    2    G   H8    H   1    7.5316     0.0000   .   1   .   .   .   .   .   2    G   H8    .   50933   1    
     10    .   1   .   1   2    2    G   C8    C   13   136.5404   0.0000   .   1   .   .   .   .   .   2    G   C8    .   50933   1    
     11    .   1   .   1   3    3    G   H1    H   1    12.1942    0.0000   .   1   .   .   .   .   .   3    G   H1    .   50933   1    
     12    .   1   .   1   3    3    G   H1'   H   1    5.7704     0.0000   .   1   .   .   .   .   .   3    G   H1'   .   50933   1    
     13    .   1   .   1   3    3    G   H2'   H   1    4.6363     0.0000   .   1   .   .   .   .   .   3    G   H2'   .   50933   1    
     14    .   1   .   1   3    3    G   H3'   H   1    4.5609     0.0000   .   1   .   .   .   .   .   3    G   H3'   .   50933   1    
     15    .   1   .   1   3    3    G   H8    H   1    7.1641     0.0000   .   1   .   .   .   .   .   3    G   H8    .   50933   1    
     16    .   1   .   1   3    3    G   C8    C   13   135.6995   0.0000   .   1   .   .   .   .   .   3    G   C8    .   50933   1    
     17    .   1   .   1   4    4    A   H1'   H   1    5.9247     0.0000   .   1   .   .   .   .   .   4    A   H1'   .   50933   1    
     18    .   1   .   1   4    4    A   H2    H   1    7.1712     0.0000   .   1   .   .   .   .   .   4    A   H2    .   50933   1    
     19    .   1   .   1   4    4    A   H2'   H   1    4.6280     0.0000   .   1   .   .   .   .   .   4    A   H2'   .   50933   1    
     20    .   1   .   1   4    4    A   H3'   H   1    4.6241     0.0000   .   1   .   .   .   .   .   4    A   H3'   .   50933   1    
     21    .   1   .   1   4    4    A   H8    H   1    7.6624     0.0000   .   1   .   .   .   .   .   4    A   H8    .   50933   1    
     22    .   1   .   1   4    4    A   C2    C   13   153.0961   0.0000   .   1   .   .   .   .   .   4    A   C2    .   50933   1    
     23    .   1   .   1   4    4    A   C8    C   13   139.4072   0.0000   .   1   .   .   .   .   .   4    A   C8    .   50933   1    
     24    .   1   .   1   5    5    A   H1'   H   1    5.8776     0.0000   .   1   .   .   .   .   .   5    A   H1'   .   50933   1    
     25    .   1   .   1   5    5    A   H2    H   1    7.7430     0.0000   .   1   .   .   .   .   .   5    A   H2    .   50933   1    
     26    .   1   .   1   5    5    A   H8    H   1    7.7021     0.0000   .   1   .   .   .   .   .   5    A   H8    .   50933   1    
     27    .   1   .   1   5    5    A   C2    C   13   153.8368   0.0000   .   1   .   .   .   .   .   5    A   C2    .   50933   1    
     28    .   1   .   1   5    5    A   C8    C   13   138.7484   0.0000   .   1   .   .   .   .   .   5    A   C8    .   50933   1    
     29    .   1   .   1   6    6    U   H1'   H   1    5.4619     0.0000   .   1   .   .   .   .   .   6    U   H1'   .   50933   1    
     30    .   1   .   1   6    6    U   H2'   H   1    4.4939     0.0000   .   1   .   .   .   .   .   6    U   H2'   .   50933   1    
     31    .   1   .   1   6    6    U   H3    H   1    13.4598    0.0000   .   1   .   .   .   .   .   6    U   H3    .   50933   1    
     32    .   1   .   1   6    6    U   H3'   H   1    4.5151     0.0000   .   1   .   .   .   .   .   6    U   H3'   .   50933   1    
     33    .   1   .   1   6    6    U   H5    H   1    5.0144     0.0000   .   1   .   .   .   .   .   6    U   H5    .   50933   1    
     34    .   1   .   1   6    6    U   H6    H   1    7.5209     0.0000   .   1   .   .   .   .   .   6    U   H6    .   50933   1    
     35    .   1   .   1   6    6    U   C6    C   13   141.0870   0.0000   .   1   .   .   .   .   .   6    U   C6    .   50933   1    
     36    .   1   .   1   7    7    G   H1    H   1    12.4997    0.0000   .   1   .   .   .   .   .   7    G   H1    .   50933   1    
     37    .   1   .   1   7    7    G   H1'   H   1    5.7851     0.0000   .   1   .   .   .   .   .   7    G   H1'   .   50933   1    
     38    .   1   .   1   7    7    G   H2'   H   1    4.5477     0.0000   .   1   .   .   .   .   .   7    G   H2'   .   50933   1    
     39    .   1   .   1   7    7    G   H3'   H   1    4.4878     0.0000   .   1   .   .   .   .   .   7    G   H3'   .   50933   1    
     40    .   1   .   1   7    7    G   H8    H   1    7.6644     0.0000   .   1   .   .   .   .   .   7    G   H8    .   50933   1    
     41    .   1   .   1   7    7    G   C8    C   13   136.0068   0.0000   .   1   .   .   .   .   .   7    G   C8    .   50933   1    
     42    .   1   .   1   8    8    C   H1'   H   1    5.4901     0.0000   .   1   .   .   .   .   .   8    C   H1'   .   50933   1    
     43    .   1   .   1   8    8    C   H2'   H   1    4.3314     0.0000   .   1   .   .   .   .   .   8    C   H2'   .   50933   1    
     44    .   1   .   1   8    8    C   H5    H   1    5.1587     0.0000   .   1   .   .   .   .   .   8    C   H5    .   50933   1    
     45    .   1   .   1   8    8    C   H6    H   1    7.6432     0.0000   .   1   .   .   .   .   .   8    C   H6    .   50933   1    
     46    .   1   .   1   8    8    C   H41   H   1    8.4438     0.0000   .   2   .   .   .   .   .   8    C   H41   .   50933   1    
     47    .   1   .   1   8    8    C   H42   H   1    6.8180     0.0000   .   2   .   .   .   .   .   8    C   H42   .   50933   1    
     48    .   1   .   1   8    8    C   C6    C   13   140.8526   0.0000   .   1   .   .   .   .   .   8    C   C6    .   50933   1    
     49    .   1   .   1   9    9    U   H1'   H   1    5.6156     0.0000   .   1   .   .   .   .   .   9    U   H1'   .   50933   1    
     50    .   1   .   1   9    9    U   H2'   H   1    4.4204     0.0000   .   1   .   .   .   .   .   9    U   H2'   .   50933   1    
     51    .   1   .   1   9    9    U   H3    H   1    13.5198    0.0000   .   1   .   .   .   .   .   9    U   H3    .   50933   1    
     52    .   1   .   1   9    9    U   H3'   H   1    4.4232     0.0000   .   1   .   .   .   .   .   9    U   H3'   .   50933   1    
     53    .   1   .   1   9    9    U   H5    H   1    5.3596     0.0000   .   1   .   .   .   .   .   9    U   H5    .   50933   1    
     54    .   1   .   1   9    9    U   H6    H   1    7.7251     0.0000   .   1   .   .   .   .   .   9    U   H6    .   50933   1    
     55    .   1   .   1   9    9    U   C6    C   13   140.7916   0.0000   .   1   .   .   .   .   .   9    U   C6    .   50933   1    
     56    .   1   .   1   10   10   G   H1'   H   1    5.6837     0.0000   .   1   .   .   .   .   .   10   G   H1'   .   50933   1    
     57    .   1   .   1   10   10   G   H2'   H   1    4.4078     0.0000   .   1   .   .   .   .   .   10   G   H2'   .   50933   1    
     58    .   1   .   1   10   10   G   H8    H   1    7.5192     0.0000   .   1   .   .   .   .   .   10   G   H8    .   50933   1    
     59    .   1   .   1   10   10   G   C8    C   13   136.5666   0.0000   .   1   .   .   .   .   .   10   G   C8    .   50933   1    
     60    .   1   .   1   11   11   A   H1'   H   1    5.6909     0.0000   .   1   .   .   .   .   .   11   A   H1'   .   50933   1    
     61    .   1   .   1   11   11   A   H2    H   1    7.8975     0.0000   .   1   .   .   .   .   .   11   A   H2    .   50933   1    
     62    .   1   .   1   11   11   A   H2'   H   1    4.6642     0.0000   .   1   .   .   .   .   .   11   A   H2'   .   50933   1    
     63    .   1   .   1   11   11   A   H3'   H   1    4.4510     0.0000   .   1   .   .   .   .   .   11   A   H3'   .   50933   1    
     64    .   1   .   1   11   11   A   H8    H   1    8.2232     0.0000   .   1   .   .   .   .   .   11   A   H8    .   50933   1    
     65    .   1   .   1   11   11   A   C2    C   13   154.5627   0.0000   .   1   .   .   .   .   .   11   A   C2    .   50933   1    
     66    .   1   .   1   11   11   A   C8    C   13   141.7697   0.0000   .   1   .   .   .   .   .   11   A   C8    .   50933   1    
     67    .   1   .   1   12   12   G   H1'   H   1    5.1707     0.0000   .   1   .   .   .   .   .   12   G   H1'   .   50933   1    
     68    .   1   .   1   12   12   G   H2'   H   1    4.1966     0.0000   .   1   .   .   .   .   .   12   G   H2'   .   50933   1    
     69    .   1   .   1   12   12   G   H8    H   1    7.5015     0.0000   .   1   .   .   .   .   .   12   G   H8    .   50933   1    
     70    .   1   .   1   12   12   G   C8    C   13   137.2382   0.0000   .   1   .   .   .   .   .   12   G   C8    .   50933   1    
     71    .   1   .   1   13   13   A   H1'   H   1    6.0818     0.0000   .   1   .   .   .   .   .   13   A   H1'   .   50933   1    
     72    .   1   .   1   13   13   A   H2    H   1    8.1840     0.0000   .   1   .   .   .   .   .   13   A   H2    .   50933   1    
     73    .   1   .   1   13   13   A   H2'   H   1    4.5498     0.0000   .   1   .   .   .   .   .   13   A   H2'   .   50933   1    
     74    .   1   .   1   13   13   A   H3'   H   1    4.9751     0.0000   .   1   .   .   .   .   .   13   A   H3'   .   50933   1    
     75    .   1   .   1   13   13   A   H8    H   1    8.0371     0.0000   .   1   .   .   .   .   .   13   A   H8    .   50933   1    
     76    .   1   .   1   13   13   A   C2    C   13   155.6520   0.0000   .   1   .   .   .   .   .   13   A   C2    .   50933   1    
     77    .   1   .   1   13   13   A   C8    C   13   140.3085   0.0000   .   1   .   .   .   .   .   13   A   C8    .   50933   1    
     78    .   1   .   1   14   14   A   H1'   H   1    4.5251     0.0000   .   1   .   .   .   .   .   14   A   H1'   .   50933   1    
     79    .   1   .   1   14   14   A   H2    H   1    7.3757     0.0000   .   1   .   .   .   .   .   14   A   H2    .   50933   1    
     80    .   1   .   1   14   14   A   H8    H   1    8.3254     0.0000   .   1   .   .   .   .   .   14   A   H8    .   50933   1    
     81    .   1   .   1   14   14   A   C2    C   13   153.1832   0.0000   .   1   .   .   .   .   .   14   A   C2    .   50933   1    
     82    .   1   .   1   14   14   A   C8    C   13   140.6418   0.0000   .   1   .   .   .   .   .   14   A   C8    .   50933   1    
     83    .   1   .   1   15   15   G   H1    H   1    13.2630    0.0000   .   1   .   .   .   .   .   15   G   H1    .   50933   1    
     84    .   1   .   1   15   15   G   H1'   H   1    5.6950     0.0000   .   1   .   .   .   .   .   15   G   H1'   .   50933   1    
     85    .   1   .   1   15   15   G   H8    H   1    7.2812     0.0000   .   1   .   .   .   .   .   15   G   H8    .   50933   1    
     86    .   1   .   1   15   15   G   C8    C   13   135.5285   0.0000   .   1   .   .   .   .   .   15   G   C8    .   50933   1    
     87    .   1   .   1   16   16   C   H1'   H   1    5.4531     0.0000   .   1   .   .   .   .   .   16   C   H1'   .   50933   1    
     88    .   1   .   1   16   16   C   H5    H   1    5.2046     0.0000   .   1   .   .   .   .   .   16   C   H5    .   50933   1    
     89    .   1   .   1   16   16   C   H6    H   1    7.5922     0.0000   .   1   .   .   .   .   .   16   C   H6    .   50933   1    
     90    .   1   .   1   16   16   C   H41   H   1    8.4032     0.0000   .   2   .   .   .   .   .   16   C   H41   .   50933   1    
     91    .   1   .   1   16   16   C   H42   H   1    6.7861     0.0000   .   2   .   .   .   .   .   16   C   H42   .   50933   1    
     92    .   1   .   1   16   16   C   C6    C   13   140.5971   0.0000   .   1   .   .   .   .   .   16   C   C6    .   50933   1    
     93    .   1   .   1   17   17   A   H1'   H   1    5.9442     0.0000   .   1   .   .   .   .   .   17   A   H1'   .   50933   1    
     94    .   1   .   1   17   17   A   H2    H   1    7.3393     0.0000   .   1   .   .   .   .   .   17   A   H2    .   50933   1    
     95    .   1   .   1   17   17   A   H2'   H   1    4.5360     0.0000   .   1   .   .   .   .   .   17   A   H2'   .   50933   1    
     96    .   1   .   1   17   17   A   H3'   H   1    4.6258     0.0000   .   1   .   .   .   .   .   17   A   H3'   .   50933   1    
     97    .   1   .   1   17   17   A   H8    H   1    8.0146     0.0000   .   1   .   .   .   .   .   17   A   H8    .   50933   1    
     98    .   1   .   1   17   17   A   C2    C   13   153.1832   0.0000   .   1   .   .   .   .   .   17   A   C2    .   50933   1    
     99    .   1   .   1   17   17   A   C8    C   13   139.4485   0.0000   .   1   .   .   .   .   .   17   A   C8    .   50933   1    
     100   .   1   .   1   18   18   U   H1'   H   1    5.5022     0.0000   .   1   .   .   .   .   .   18   U   H1'   .   50933   1    
     101   .   1   .   1   18   18   U   H2'   H   1    4.3280     0.0000   .   1   .   .   .   .   .   18   U   H2'   .   50933   1    
     102   .   1   .   1   18   18   U   H3    H   1    14.0045    0.0000   .   1   .   .   .   .   .   18   U   H3    .   50933   1    
     103   .   1   .   1   18   18   U   H3'   H   1    4.4381     0.0000   .   1   .   .   .   .   .   18   U   H3'   .   50933   1    
     104   .   1   .   1   18   18   U   H5    H   1    5.0342     0.0000   .   1   .   .   .   .   .   18   U   H5    .   50933   1    
     105   .   1   .   1   18   18   U   H6    H   1    7.6683     0.0000   .   1   .   .   .   .   .   18   U   H6    .   50933   1    
     106   .   1   .   1   18   18   U   C6    C   13   141.6746   0.0000   .   1   .   .   .   .   .   18   U   C6    .   50933   1    
     107   .   1   .   1   19   19   U   H1'   H   1    5.6533     0.0000   .   1   .   .   .   .   .   19   U   H1'   .   50933   1    
     108   .   1   .   1   19   19   U   H2'   H   1    4.4601     0.0000   .   1   .   .   .   .   .   19   U   H2'   .   50933   1    
     109   .   1   .   1   19   19   U   H3    H   1    13.7006    0.0000   .   1   .   .   .   .   .   19   U   H3    .   50933   1    
     110   .   1   .   1   19   19   U   H3'   H   1    4.5189     0.0000   .   1   .   .   .   .   .   19   U   H3'   .   50933   1    
     111   .   1   .   1   19   19   U   H5    H   1    5.5198     0.0000   .   1   .   .   .   .   .   19   U   H5    .   50933   1    
     112   .   1   .   1   19   19   U   H6    H   1    7.9761     0.0000   .   1   .   .   .   .   .   19   U   H6    .   50933   1    
     113   .   1   .   1   19   19   U   C6    C   13   142.4810   0.0000   .   1   .   .   .   .   .   19   U   C6    .   50933   1    
     114   .   1   .   1   20   20   C   H1'   H   1    5.5251     0.0000   .   1   .   .   .   .   .   20   C   H1'   .   50933   1    
     115   .   1   .   1   20   20   C   H2'   H   1    4.3021     0.0000   .   1   .   .   .   .   .   20   C   H2'   .   50933   1    
     116   .   1   .   1   20   20   C   H3'   H   1    4.4595     0.0000   .   1   .   .   .   .   .   20   C   H3'   .   50933   1    
     117   .   1   .   1   20   20   C   H5    H   1    5.6217     0.0000   .   1   .   .   .   .   .   20   C   H5    .   50933   1    
     118   .   1   .   1   20   20   C   H6    H   1    7.8768     0.0000   .   1   .   .   .   .   .   20   C   H6    .   50933   1    
     119   .   1   .   1   20   20   C   H41   H   1    8.3589     0.0000   .   2   .   .   .   .   .   20   C   H41   .   50933   1    
     120   .   1   .   1   20   20   C   H42   H   1    6.8941     0.0000   .   2   .   .   .   .   .   20   C   H42   .   50933   1    
     121   .   1   .   1   20   20   C   C6    C   13   141.6832   0.0000   .   1   .   .   .   .   .   20   C   C6    .   50933   1    
     122   .   1   .   1   21   21   C   H1'   H   1    5.4511     0.0000   .   1   .   .   .   .   .   21   C   H1'   .   50933   1    
     123   .   1   .   1   21   21   C   H2'   H   1    4.2298     0.0000   .   1   .   .   .   .   .   21   C   H2'   .   50933   1    
     124   .   1   .   1   21   21   C   H3'   H   1    4.4676     0.0000   .   1   .   .   .   .   .   21   C   H3'   .   50933   1    
     125   .   1   .   1   21   21   C   H5    H   1    5.4424     0.0000   .   1   .   .   .   .   .   21   C   H5    .   50933   1    
     126   .   1   .   1   21   21   C   H6    H   1    7.7879     0.0000   .   1   .   .   .   .   .   21   C   H6    .   50933   1    
     127   .   1   .   1   21   21   C   H41   H   1    8.3982     0.0000   .   2   .   .   .   .   .   21   C   H41   .   50933   1    
     128   .   1   .   1   21   21   C   H42   H   1    6.9101     0.0000   .   2   .   .   .   .   .   21   C   H42   .   50933   1    
     129   .   1   .   1   21   21   C   C6    C   13   141.5999   0.0000   .   1   .   .   .   .   .   21   C   C6    .   50933   1    
     130   .   1   .   1   22   22   C   H1'   H   1    5.7348     0.0000   .   1   .   .   .   .   .   22   C   H1'   .   50933   1    
     131   .   1   .   1   22   22   C   H2'   H   1    3.9988     0.0000   .   1   .   .   .   .   .   22   C   H2'   .   50933   1    
     132   .   1   .   1   22   22   C   H3'   H   1    4.1688     0.0000   .   1   .   .   .   .   .   22   C   H3'   .   50933   1    
     133   .   1   .   1   22   22   C   H5    H   1    5.4603     0.0000   .   1   .   .   .   .   .   22   C   H5    .   50933   1    
     134   .   1   .   1   22   22   C   H6    H   1    7.6641     0.0000   .   1   .   .   .   .   .   22   C   H6    .   50933   1    
     135   .   1   .   1   22   22   C   H41   H   1    8.2467     0.0000   .   2   .   .   .   .   .   22   C   H41   .   50933   1    
     136   .   1   .   1   22   22   C   H42   H   1    6.9319     0.0000   .   2   .   .   .   .   .   22   C   H42   .   50933   1    
     137   .   1   .   1   22   22   C   C6    C   13   141.5643   0.0000   .   1   .   .   .   .   .   22   C   C6    .   50933   1    

   stop_

save_