###################################
     #  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_ar1446_assigned_chem_shift_list_1
   _Assigned_chem_shift_list.Sf_category                  assigned_chemical_shifts
   _Assigned_chem_shift_list.Sf_framecode                 ar1446_assigned_chem_shift_list_1
   _Assigned_chem_shift_list.Entry_ID                     19102
   _Assigned_chem_shift_list.ID                           1
   _Assigned_chem_shift_list.Sample_condition_list_ID     1
   _Assigned_chem_shift_list.Sample_condition_list_label  $ar1446_sample_conditions
   _Assigned_chem_shift_list.Chem_shift_reference_ID      1
   _Assigned_chem_shift_list.Chem_shift_reference_label   $methanol
   _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 DQF-COSY'      .   .   .   19102   1    
     2   '2D 1H-1H TOCSY'   .   .   .   19102   1    
     3   '2D 1H-1H NOESY'   .   .   .   19102   1    
     4   '2D 1H-13C HSQC'   .   .   .   19102   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    CYS   HA     H   1    4.16     0.01   .   1   .   .   .   A   1    CYS   HA     .   19102   1    
     2     .   1   1   1    1    CYS   HB2    H   1    3.13     0.01   .   2   .   .   .   A   1    CYS   HB2    .   19102   1    
     3     .   1   1   1    1    CYS   HB3    H   1    2.98     0.01   .   2   .   .   .   A   1    CYS   HB3    .   19102   1    
     4     .   1   1   1    1    CYS   CA     C   13   52.48    0.02   .   1   .   .   .   A   1    CYS   CA     .   19102   1    
     5     .   1   1   1    1    CYS   CB     C   13   40.25    0.02   .   1   .   .   .   A   1    CYS   CB     .   19102   1    
     6     .   1   1   2    2    CYS   H      H   1    8.81     0.01   .   1   .   .   .   A   2    CYS   H      .   19102   1    
     7     .   1   1   2    2    CYS   HA     H   1    4.73     0.01   .   1   .   .   .   A   2    CYS   HA     .   19102   1    
     8     .   1   1   2    2    CYS   HB2    H   1    3.47     0.01   .   2   .   .   .   A   2    CYS   HB2    .   19102   1    
     9     .   1   1   2    2    CYS   HB3    H   1    3.35     0.01   .   2   .   .   .   A   2    CYS   HB3    .   19102   1    
     10    .   1   1   2    2    CYS   CA     C   13   56.43    0.02   .   1   .   .   .   A   2    CYS   CA     .   19102   1    
     11    .   1   1   2    2    CYS   CB     C   13   45.09    0.02   .   1   .   .   .   A   2    CYS   CB     .   19102   1    
     12    .   1   1   3    3    ARG   H      H   1    8.93     0.01   .   1   .   .   .   A   3    ARG   H      .   19102   1    
     13    .   1   1   3    3    ARG   HA     H   1    4.40     0.01   .   1   .   .   .   A   3    ARG   HA     .   19102   1    
     14    .   1   1   3    3    ARG   HB2    H   1    1.85     0.01   .   2   .   .   .   A   3    ARG   HB2    .   19102   1    
     15    .   1   1   3    3    ARG   HB3    H   1    1.73     0.01   .   2   .   .   .   A   3    ARG   HB3    .   19102   1    
     16    .   1   1   3    3    ARG   HG2    H   1    1.70     0.01   .   2   .   .   .   A   3    ARG   HG2    .   19102   1    
     17    .   1   1   3    3    ARG   HG3    H   1    1.64     0.01   .   2   .   .   .   A   3    ARG   HG3    .   19102   1    
     18    .   1   1   3    3    ARG   HD2    H   1    3.20     0.01   .   2   .   .   .   A   3    ARG   HD2    .   19102   1    
     19    .   1   1   3    3    ARG   HD3    H   1    3.16     0.01   .   2   .   .   .   A   3    ARG   HD3    .   19102   1    
     20    .   1   1   3    3    ARG   CA     C   13   55.15    0.02   .   1   .   .   .   A   3    ARG   CA     .   19102   1    
     21    .   1   1   3    3    ARG   CB     C   13   30.39    0.02   .   1   .   .   .   A   3    ARG   CB     .   19102   1    
     22    .   1   1   3    3    ARG   CG     C   13   26.40    0.02   .   1   .   .   .   A   3    ARG   CG     .   19102   1    
     23    .   1   1   3    3    ARG   CD     C   13   41.63    0.02   .   1   .   .   .   A   3    ARG   CD     .   19102   1    
     24    .   1   1   4    4    LEU   H      H   1    8.00     0.01   .   1   .   .   .   A   4    LEU   H      .   19102   1    
     25    .   1   1   4    4    LEU   HA     H   1    4.32     0.01   .   1   .   .   .   A   4    LEU   HA     .   19102   1    
     26    .   1   1   4    4    LEU   HB2    H   1    1.69     0.01   .   2   .   .   .   A   4    LEU   HB2    .   19102   1    
     27    .   1   1   4    4    LEU   HB3    H   1    1.63     0.01   .   2   .   .   .   A   4    LEU   HB3    .   19102   1    
     28    .   1   1   4    4    LEU   HG     H   1    1.63     0.01   .   2   .   .   .   A   4    LEU   HG     .   19102   1    
     29    .   1   1   4    4    LEU   HD11   H   1    0.95     0.01   .   1   .   .   .   A   4    LEU   HD11   .   19102   1    
     30    .   1   1   4    4    LEU   HD12   H   1    0.95     0.01   .   1   .   .   .   A   4    LEU   HD12   .   19102   1    
     31    .   1   1   4    4    LEU   HD13   H   1    0.95     0.01   .   1   .   .   .   A   4    LEU   HD13   .   19102   1    
     32    .   1   1   4    4    LEU   HD21   H   1    0.93     0.01   .   1   .   .   .   A   4    LEU   HD21   .   19102   1    
     33    .   1   1   4    4    LEU   HD22   H   1    0.93     0.01   .   1   .   .   .   A   4    LEU   HD22   .   19102   1    
     34    .   1   1   4    4    LEU   HD23   H   1    0.93     0.01   .   1   .   .   .   A   4    LEU   HD23   .   19102   1    
     35    .   1   1   4    4    LEU   CA     C   13   53.81    0.02   .   1   .   .   .   A   4    LEU   CA     .   19102   1    
     36    .   1   1   4    4    LEU   CB     C   13   41.62    0.02   .   1   .   .   .   A   4    LEU   CB     .   19102   1    
     37    .   1   1   4    4    LEU   CG     C   13   25.72    0.02   .   1   .   .   .   A   4    LEU   CG     .   19102   1    
     38    .   1   1   4    4    LEU   CD1    C   13   23.10    0.02   .   1   .   .   .   A   4    LEU   CD1    .   19102   1    
     39    .   1   1   4    4    LEU   CD2    C   13   21.47    0.02   .   1   .   .   .   A   4    LEU   CD2    .   19102   1    
     40    .   1   1   5    5    ALA   H      H   1    7.99     0.01   .   1   .   .   .   A   5    ALA   H      .   19102   1    
     41    .   1   1   5    5    ALA   HA     H   1    4.168    0.01   .   1   .   .   .   A   5    ALA   HA     .   19102   1    
     42    .   1   1   5    5    ALA   HB1    H   1    1.31     0.01   .   1   .   .   .   A   5    ALA   HB1    .   19102   1    
     43    .   1   1   5    5    ALA   HB2    H   1    1.31     0.01   .   1   .   .   .   A   5    ALA   HB2    .   19102   1    
     44    .   1   1   5    5    ALA   HB3    H   1    1.31     0.01   .   1   .   .   .   A   5    ALA   HB3    .   19102   1    
     45    .   1   1   5    5    ALA   CA     C   13   50.08    0.02   .   1   .   .   .   A   5    ALA   CA     .   19102   1    
     46    .   1   1   5    5    ALA   CB     C   13   16.98    0.02   .   1   .   .   .   A   5    ALA   CB     .   19102   1    
     47    .   1   1   6    6    CYS   H      H   1    8.18     0.01   .   1   .   .   .   A   6    CYS   H      .   19102   1    
     48    .   1   1   6    6    CYS   HA     H   1    5.13     0.01   .   1   .   .   .   A   6    CYS   HA     .   19102   1    
     49    .   1   1   6    6    CYS   HB2    H   1    3.25     0.01   .   2   .   .   .   A   6    CYS   HB2    .   19102   1    
     50    .   1   1   6    6    CYS   HB3    H   1    3.07     0.01   .   2   .   .   .   A   6    CYS   HB3    .   19102   1    
     51    .   1   1   6    6    CYS   CA     C   13   54.20    0.02   .   1   .   .   .   A   6    CYS   CA     .   19102   1    
     52    .   1   1   6    6    CYS   CB     C   13   40.85    0.02   .   1   .   .   .   A   6    CYS   CB     .   19102   1    
     53    .   1   1   7    7    GLY   H      H   1    8.350    0.01   .   1   .   .   .   A   7    GLY   H      .   19102   1    
     54    .   1   1   7    7    GLY   HA2    H   1    4.38     0.01   .   2   .   .   .   A   7    GLY   HA2    .   19102   1    
     55    .   1   1   7    7    GLY   HA3    H   1    3.80     0.01   .   2   .   .   .   A   7    GLY   HA3    .   19102   1    
     56    .   1   1   7    7    GLY   CA     C   13   43.32    0.02   .   1   .   .   .   A   7    GLY   CA     .   19102   1    
     57    .   1   1   8    8    LEU   H      H   1    8.98     0.01   .   1   .   .   .   A   8    LEU   H      .   19102   1    
     58    .   1   1   8    8    LEU   HA     H   1    3.99     0.01   .   1   .   .   .   A   8    LEU   HA     .   19102   1    
     59    .   1   1   8    8    LEU   HB2    H   1    1.61     0.01   .   2   .   .   .   A   8    LEU   HB2    .   19102   1    
     60    .   1   1   8    8    LEU   HB3    H   1    1.61     0.01   .   2   .   .   .   A   8    LEU   HB3    .   19102   1    
     61    .   1   1   8    8    LEU   HG     H   1    1.72     0.01   .   1   .   .   .   A   8    LEU   HG     .   19102   1    
     62    .   1   1   8    8    LEU   HD11   H   1    0.96     0.01   .   2   .   .   .   A   8    LEU   HD11   .   19102   1    
     63    .   1   1   8    8    LEU   HD12   H   1    0.96     0.01   .   2   .   .   .   A   8    LEU   HD12   .   19102   1    
     64    .   1   1   8    8    LEU   HD13   H   1    0.96     0.01   .   2   .   .   .   A   8    LEU   HD13   .   19102   1    
     65    .   1   1   8    8    LEU   HD21   H   1    0.89     0.01   .   2   .   .   .   A   8    LEU   HD21   .   19102   1    
     66    .   1   1   8    8    LEU   HD22   H   1    0.89     0.01   .   2   .   .   .   A   8    LEU   HD22   .   19102   1    
     67    .   1   1   8    8    LEU   HD23   H   1    0.89     0.01   .   2   .   .   .   A   8    LEU   HD23   .   19102   1    
     68    .   1   1   8    8    LEU   CA     C   13   56.41    0.02   .   1   .   .   .   A   8    LEU   CA     .   19102   1    
     69    .   1   1   8    8    LEU   CB     C   13   40.72    0.02   .   1   .   .   .   A   8    LEU   CB     .   19102   1    
     70    .   1   1   8    8    LEU   CG     C   13   25.47    0.02   .   1   .   .   .   A   8    LEU   CG     .   19102   1    
     71    .   1   1   8    8    LEU   CD1    C   13   22.705   0.02   .   2   .   .   .   A   8    LEU   CD1    .   19102   1    
     72    .   1   1   8    8    LEU   CD2    C   13   21.76    0.02   .   2   .   .   .   A   8    LEU   CD2    .   19102   1    
     73    .   1   1   9    9    GLY   H      H   1    8.38     0.01   .   1   .   .   .   A   9    GLY   H      .   19102   1    
     74    .   1   1   9    9    GLY   HA2    H   1    4.14     0.01   .   2   .   .   .   A   9    GLY   HA3    .   19102   1    
     75    .   1   1   9    9    GLY   HA3    H   1    3.60     0.01   .   2   .   .   .   A   9    GLY   HA3    .   19102   1    
     76    .   1   1   9    9    GLY   CA     C   13   43.34    0.02   .   1   .   .   .   A   9    GLY   CA     .   19102   1    
     77    .   1   1   10   10   CYS   H      H   1    7.41     0.01   .   1   .   .   .   A   10   CYS   H      .   19102   1    
     78    .   1   1   10   10   CYS   HA     H   1    4.61     0.01   .   1   .   .   .   A   10   CYS   HA     .   19102   1    
     79    .   1   1   10   10   CYS   HB2    H   1    3.57     0.01   .   2   .   .   .   A   10   CYS   HB2    .   19102   1    
     80    .   1   1   10   10   CYS   HB3    H   1    2.48     0.01   .   2   .   .   .   A   10   CYS   HB3    .   19102   1    
     81    .   1   1   10   10   CYS   CA     C   13   57.67    0.02   .   1   .   .   .   A   10   CYS   CA     .   19102   1    
     82    .   1   1   10   10   CYS   CB     C   13   36.24    0.02   .   1   .   .   .   A   10   CYS   CB     .   19102   1    
     83    .   1   1   11   11   HIS   H      H   1    8.33     0.01   .   1   .   .   .   A   11   HIS   H      .   19102   1    
     84    .   1   1   11   11   HIS   HA     H   1    4.79     0.01   .   1   .   .   .   A   11   HIS   HA     .   19102   1    
     85    .   1   1   11   11   HIS   HB2    H   1    3.61     0.01   .   2   .   .   .   A   11   HIS   HB2    .   19102   1    
     86    .   1   1   11   11   HIS   HB3    H   1    3.15     0.01   .   2   .   .   .   A   11   HIS   HB3    .   19102   1    
     87    .   1   1   11   11   HIS   HD2    H   1    7.40     0.01   .   1   .   .   .   A   11   HIS   HD2    .   19102   1    
     88    .   1   1   11   11   HIS   HE1    H   1    8.78     0.01   .   1   .   .   .   A   11   HIS   HE1    .   19102   1    
     89    .   1   1   11   11   HIS   CA     C   13   52.09    0.02   .   1   .   .   .   A   11   HIS   CA     .   19102   1    
     90    .   1   1   11   11   HIS   CB     C   13   26.51    0.02   .   1   .   .   .   A   11   HIS   CB     .   19102   1    
     91    .   1   1   12   12   HYP   CA     C   13   58.72    0.02   .   1   .   .   .   A   12   HYP   CA     .   19102   1    
     92    .   1   1   12   12   HYP   CB     C   13   41.92    0.02   .   1   .   .   .   A   12   HYP   CB     .   19102   1    
     93    .   1   1   12   12   HYP   CD     C   13   56.81    0.02   .   1   .   .   .   A   12   HYP   CD     .   19102   1    
     94    .   1   1   12   12   HYP   CG     C   13   68.76    0.02   .   1   .   .   .   A   12   HYP   CG     .   19102   1    
     95    .   1   1   12   12   HYP   HA     H   1    4.87     0.01   .   1   .   .   .   A   12   HYP   HA     .   19102   1    
     96    .   1   1   12   12   HYP   HB2    H   1    2.60     0.01   .   2   .   .   .   A   12   HYP   HB2    .   19102   1    
     97    .   1   1   12   12   HYP   HB3    H   1    2.16     0.01   .   2   .   .   .   A   12   HYP   HB3    .   19102   1    
     98    .   1   1   12   12   HYP   HD22   H   1    3.77     0.01   .   2   .   .   .   A   12   HYP   HD22   .   19102   1    
     99    .   1   1   12   12   HYP   HD23   H   1    3.55     0.01   .   2   .   .   .   A   12   HYP   HD23   .   19102   1    
     100   .   1   1   12   12   HYP   HG     H   1    4.46     0.01   .   1   .   .   .   A   12   HYP   HG     .   19102   1    
     101   .   1   1   13   13   CYS   H      H   1    9.57     0.01   .   1   .   .   .   A   13   CYS   H      .   19102   1    
     102   .   1   1   13   13   CYS   HA     H   1    5.09     0.01   .   1   .   .   .   A   13   CYS   HA     .   19102   1    
     103   .   1   1   13   13   CYS   HB2    H   1    3.36     0.01   .   2   .   .   .   A   13   CYS   HB2    .   19102   1    
     104   .   1   1   13   13   CYS   HB3    H   1    3.21     0.01   .   2   .   .   .   A   13   CYS   HB3    .   19102   1    
     105   .   1   1   13   13   CYS   CA     C   13   54.25    0.02   .   1   .   .   .   A   13   CYS   CA     .   19102   1    
     106   .   1   1   13   13   CYS   CB     C   13   39.49    0.02   .   1   .   .   .   A   13   CYS   CB     .   19102   1    
     107   .   1   1   14   14   CYS   HA     H   1    4.64     0.01   .   1   .   .   .   A   14   CYS   HA     .   19102   1    
     108   .   1   1   14   14   CYS   HB2    H   1    2.92     0.01   .   2   .   .   .   A   14   CYS   HB2    .   19102   1    
     109   .   1   1   14   14   CYS   HB3    H   1    3.14     0.01   .   2   .   .   .   A   14   CYS   HB3    .   19102   1    
     110   .   1   1   14   14   CYS   CA     C   13   53.06    0.02   .   1   .   .   .   A   14   CYS   CA     .   19102   1    
     111   .   1   1   14   14   CYS   CB     C   13   40.26    0.02   .   1   .   .   .   A   14   CYS   CB     .   19102   1    
     112   .   1   1   15   15   NH2   HN1    H   1    7.64     0.01   .   1   .   .   .   A   15   NH2   HN1    .   19102   1    
     113   .   1   1   15   15   NH2   HN2    H   1    7.25     0.01   .   1   .   .   .   A   15   NH2   HN2    .   19102   1    

   stop_

save_