Content for NMR-STAR saveframe, "assigned_chemical_shifts_list_DsbB"

    save_assigned_chemical_shifts_list_DsbB
   _Assigned_chem_shift_list.Sf_category                   assigned_chemical_shifts
   _Assigned_chem_shift_list.Sf_framecode                  assigned_chemical_shifts_list_DsbB
   _Assigned_chem_shift_list.Entry_ID                      18493
   _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_Adam
   _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 CC DARR' . . . 18493 1 
      2 '2D CC DARR' . . . 18493 1 
      3 '2D CC DARR' . . . 18493 1 
      4 '3D NCACX'   . . . 18493 1 
      5 '3D NCOCX'   . . . 18493 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   6   6 ASN C   C 13 179.258 0.145 . 1 . . . .   6 ASN C    5 18493 1 
        2 . 1 1   6   6 ASN CA  C 13  57.564 0.300 . 1 . . . .   6 ASN CA   1 18493 1 
        3 . 1 1   6   6 ASN CB  C 13  38.167 0.300 . 1 . . . .   6 ASN CB   1 18493 1 
        4 . 1 1   7   7 GLN H   H  1   9.338 0.026 . 1 . . . .   7 GLN HN   2 18493 1 
        5 . 1 1   7   7 GLN C   C 13 180.404 0.092 . 1 . . . .   7 GLN C    5 18493 1 
        6 . 1 1   7   7 GLN CA  C 13  57.611 0.012 . 1 . . . .   7 GLN CA   2 18493 1 
        7 . 1 1   7   7 GLN CB  C 13  26.649 0.210 . 1 . . . .   7 GLN CB   3 18493 1 
        8 . 1 1   7   7 GLN CG  C 13  31.228 0.300 . 1 . . . .   7 GLN CG   1 18493 1 
        9 . 1 1   7   7 GLN N   N 15 120.525 0.189 . 1 . . . .   7 GLN N    7 18493 1 
       10 . 1 1   8   8 ALA H   H  1   9.436 0.052 . 1 . . . .   8 ALA HN   2 18493 1 
       11 . 1 1   8   8 ALA C   C 13 179.313 0.300 . 1 . . . .   8 ALA C    1 18493 1 
       12 . 1 1   8   8 ALA CA  C 13  54.645 0.300 . 1 . . . .   8 ALA CA   1 18493 1 
       13 . 1 1   8   8 ALA CB  C 13  17.967 0.300 . 1 . . . .   8 ALA CB   1 18493 1 
       14 . 1 1   8   8 ALA N   N 15 123.894 0.176 . 1 . . . .   8 ALA N    6 18493 1 
       15 . 1 1   9   9 SER C   C 13 173.894 0.126 . 1 . . . .   9 SER C    4 18493 1 
       16 . 1 1   9   9 SER CA  C 13  60.565 0.137 . 1 . . . .   9 SER CA   5 18493 1 
       17 . 1 1   9   9 SER CB  C 13  63.790 0.070 . 1 . . . .   9 SER CB   4 18493 1 
       18 . 1 1  10  10 GLN H   H  1   7.835 0.300 . 1 . . . A  10 GLN HN   2 18493 1 
       19 . 1 1  10  10 GLN C   C 13 174.766 0.300 . 1 . . . A  10 GLN C    1 18493 1 
       20 . 1 1  10  10 GLN CB  C 13  29.955 0.300 . 1 . . . A  10 GLN CB   1 18493 1 
       21 . 1 1  10  10 GLN N   N 15 119.198 0.200 . 1 . . . A  10 GLN N    5 18493 1 
       22 . 1 1  11  11 GLY H   H  1   8.433 0.005 . 1 . . . A  11 GLY H    2 18493 1 
       23 . 1 1  11  11 GLY N   N 15 108.456 0.067 . 1 . . . A  11 GLY N    2 18493 1 
       24 . 1 1  12  12 ARG C   C 13 178.053 0.300 . 1 . . . A  12 ARG C    1 18493 1 
       25 . 1 1  12  12 ARG CA  C 13  57.504 0.300 . 1 . . . A  12 ARG CA   1 18493 1 
       26 . 1 1  12  12 ARG CB  C 13  30.522 0.300 . 1 . . . A  12 ARG CB   1 18493 1 
       27 . 1 1  12  12 ARG CD  C 13  43.193 0.107 . 1 . . . A  12 ARG CD   3 18493 1 
       28 . 1 1  12  12 ARG CZ  C 13 159.227 0.300 . 1 . . . A  12 ARG CZ   1 18493 1 
       29 . 1 1  13  13 GLY C   C 13 175.091 0.300 . 1 . . . A  13 GLY C    1 18493 1 
       30 . 1 1  13  13 GLY CA  C 13  45.326 0.300 . 1 . . . A  13 GLY CA   1 18493 1 
       31 . 1 1  13  13 GLY N   N 15 108.265 0.300 . 1 . . . A  13 GLY N    1 18493 1 
       32 . 1 1  14  14 ALA H   H  1   9.285 0.003 . 1 . . . A  14 ALA H    2 18493 1 
       33 . 1 1  14  14 ALA C   C 13 179.173 0.300 . 1 . . . A  14 ALA C    1 18493 1 
       34 . 1 1  14  14 ALA CA  C 13  55.061 0.040 . 1 . . . A  14 ALA CA   3 18493 1 
       35 . 1 1  14  14 ALA N   N 15 123.181 0.019 . 1 . . . A  14 ALA N    2 18493 1 
       36 . 1 1  15  15 TRP H   H  1   7.091 0.008 . 1 . . . A  15 TRP H    2 18493 1 
       37 . 1 1  15  15 TRP C   C 13 179.425 0.300 . 1 . . . A  15 TRP C    1 18493 1 
       38 . 1 1  15  15 TRP CA  C 13  58.960 0.074 . 1 . . . A  15 TRP CA   2 18493 1 
       39 . 1 1  15  15 TRP CB  C 13  29.529 0.300 . 1 . . . A  15 TRP CB   3 18493 1 
       40 . 1 1  15  15 TRP N   N 15 116.733 0.031 . 1 . . . A  15 TRP N    2 18493 1 
       41 . 1 1  16  16 LEU H   H  1   9.180 0.050 . 1 . . . A  16 LEU H    3 18493 1 
       42 . 1 1  16  16 LEU C   C 13 178.461 0.056 . 1 . . . A  16 LEU C    5 18493 1 
       43 . 1 1  16  16 LEU CA  C 13  58.246 0.034 . 1 . . . A  16 LEU CA   3 18493 1 
       44 . 1 1  16  16 LEU CB  C 13  41.369 0.319 . 1 . . . A  16 LEU CB   2 18493 1 
       45 . 1 1  16  16 LEU CG  C 13  26.762 0.221 . 1 . . . A  16 LEU CG   2 18493 1 
       46 . 1 1  16  16 LEU CD1 C 13  22.647 0.300 . 2 . . . A  16 LEU CD1  1 18493 1 
       47 . 1 1  16  16 LEU CD2 C 13  22.647 0.300 . 2 . . . A  16 LEU CD2  1 18493 1 
       48 . 1 1  16  16 LEU N   N 15 118.671 0.093 . 1 . . . A  16 LEU N    3 18493 1 
       49 . 1 1  17  17 LEU C   C 13 178.787 0.311 . 1 . . . A  17 LEU C   11 18493 1 
       50 . 1 1  17  17 LEU CA  C 13  57.832 0.146 . 1 . . . A  17 LEU CA   8 18493 1 
       51 . 1 1  17  17 LEU CB  C 13  41.395 0.071 . 1 . . . A  17 LEU CB   3 18493 1 
       52 . 1 1  17  17 LEU CG  C 13  27.110 0.142 . 1 . . . A  17 LEU CG   3 18493 1 
       53 . 1 1  17  17 LEU CD1 C 13  22.055 0.300 . 2 . . . A  17 LEU CD1  1 18493 1 
       54 . 1 1  17  17 LEU CD2 C 13  22.055 0.300 . 2 . . . A  17 LEU CD2  1 18493 1 
       55 . 1 1  17  17 LEU N   N 15 118.515 0.048 . 1 . . . A  17 LEU N   11 18493 1 
       56 . 1 1  18  18 MET C   C 13 180.469 0.190 . 1 . . . A  18 MET C   16 18493 1 
       57 . 1 1  18  18 MET CA  C 13  60.277 0.110 . 1 . . . A  18 MET CA  18 18493 1 
       58 . 1 1  18  18 MET CB  C 13  31.789 0.165 . 1 . . . A  18 MET CB   7 18493 1 
       59 . 1 1  18  18 MET CG  C 13  33.392 0.223 . 1 . . . A  18 MET CG  10 18493 1 
       60 . 1 1  18  18 MET N   N 15 120.633 0.312 . 1 . . . A  18 MET N   16 18493 1 
       61 . 1 1  19  19 ALA H   H  1   9.398 0.009 . 1 . . . A  19 ALA H    2 18493 1 
       62 . 1 1  19  19 ALA C   C 13 178.210 0.191 . 1 . . . A  19 ALA C   10 18493 1 
       63 . 1 1  19  19 ALA CA  C 13  55.468 0.147 . 1 . . . A  19 ALA CA  17 18493 1 
       64 . 1 1  19  19 ALA CB  C 13  17.865 0.117 . 1 . . . A  19 ALA CB  10 18493 1 
       65 . 1 1  19  19 ALA N   N 15 123.958 0.147 . 1 . . . A  19 ALA N   19 18493 1 
       66 . 1 1  20  20 PHE C   C 13 176.674 0.156 . 1 . . . A  20 PHE C    6 18493 1 
       67 . 1 1  20  20 PHE CA  C 13  62.546 0.197 . 1 . . . A  20 PHE CA  10 18493 1 
       68 . 1 1  20  20 PHE CB  C 13  38.697 0.300 . 1 . . . A  20 PHE CB   1 18493 1 
       69 . 1 1  20  20 PHE N   N 15 118.424 0.290 . 1 . . . A  20 PHE N   11 18493 1 
       70 . 1 1  21  21 THR C   C 13 174.203 0.226 . 1 . . . A  21 THR C   18 18493 1 
       71 . 1 1  21  21 THR CA  C 13  66.052 0.521 . 1 . . . A  21 THR CA  40 18493 1 
       72 . 1 1  21  21 THR CB  C 13  68.956 0.583 . 1 . . . A  21 THR CB  29 18493 1 
       73 . 1 1  21  21 THR CG2 C 13  22.538 0.082 . 1 . . . A  21 THR CG2 26 18493 1 
       74 . 1 1  21  21 THR N   N 15 109.220 0.236 . 1 . . . A  21 THR N   14 18493 1 
       75 . 1 1  22  22 ALA C   C 13 179.488 0.170 . 1 . . . A  22 ALA C   11 18493 1 
       76 . 1 1  22  22 ALA CA  C 13  54.847 0.162 . 1 . . . A  22 ALA CA  25 18493 1 
       77 . 1 1  22  22 ALA CB  C 13  17.801 0.103 . 1 . . . A  22 ALA CB  15 18493 1 
       78 . 1 1  22  22 ALA N   N 15 123.662 0.232 . 1 . . . A  22 ALA N   17 18493 1 
       79 . 1 1  23  23 LEU H   H  1   8.581 0.094 . 1 . . . A  23 LEU H    3 18493 1 
       80 . 1 1  23  23 LEU C   C 13 178.028 0.137 . 1 . . . A  23 LEU C   10 18493 1 
       81 . 1 1  23  23 LEU CA  C 13  57.713 0.168 . 1 . . . A  23 LEU CA  17 18493 1 
       82 . 1 1  23  23 LEU CB  C 13  41.506 0.071 . 1 . . . A  23 LEU CB   5 18493 1 
       83 . 1 1  23  23 LEU CG  C 13  26.938 0.112 . 1 . . . A  23 LEU CG   6 18493 1 
       84 . 1 1  23  23 LEU CD1 C 13  22.773 0.114 . 2 . . . A  23 LEU CD1  4 18493 1 
       85 . 1 1  23  23 LEU CD2 C 13  22.797 0.300 . 2 . . . A  23 LEU CD2  1 18493 1 
       86 . 1 1  23  23 LEU N   N 15 118.917 0.139 . 1 . . . A  23 LEU N   22 18493 1 
       87 . 1 1  24  24 ALA C   C 13 180.617 0.253 . 1 . . . A  24 ALA C   14 18493 1 
       88 . 1 1  24  24 ALA CA  C 13  55.350 0.248 . 1 . . . A  24 ALA CA  22 18493 1 
       89 . 1 1  24  24 ALA CB  C 13  17.583 0.160 . 1 . . . A  24 ALA CB   9 18493 1 
       90 . 1 1  24  24 ALA N   N 15 119.931 0.087 . 1 . . . A  24 ALA N   17 18493 1 
       91 . 1 1  25  25 LEU H   H  1   9.179 0.015 . 1 . . . A  25 LEU H    2 18493 1 
       92 . 1 1  25  25 LEU CA  C 13  58.078 0.174 . 1 . . . A  25 LEU CA  15 18493 1 
       93 . 1 1  25  25 LEU CB  C 13  43.597 0.156 . 1 . . . A  25 LEU CB   6 18493 1 
       94 . 1 1  25  25 LEU CG  C 13  27.151 0.097 . 1 . . . A  25 LEU CG   3 18493 1 
       95 . 1 1  25  25 LEU CD1 C 13  23.596 0.300 . 2 . . . A  25 LEU CD1  1 18493 1 
       96 . 1 1  25  25 LEU CD2 C 13  23.596 0.300 . 2 . . . A  25 LEU CD2  1 18493 1 
       97 . 1 1  25  25 LEU N   N 15 119.691 0.306 . 1 . . . A  25 LEU N   18 18493 1 
       98 . 1 1  26  26 GLU C   C 13 179.334 0.247 . 1 . . . A  26 GLU C    5 18493 1 
       99 . 1 1  26  26 GLU CA  C 13  59.584 0.068 . 1 . . . A  26 GLU CA   5 18493 1 
      100 . 1 1  26  26 GLU CB  C 13  27.202 0.136 . 1 . . . A  26 GLU CB   4 18493 1 
      101 . 1 1  26  26 GLU N   N 15 119.651 0.300 . 1 . . . A  26 GLU N    2 18493 1 
      102 . 1 1  27  27 LEU H   H  1   9.410 0.062 . 1 . . . A  27 LEU H    3 18493 1 
      103 . 1 1  27  27 LEU CA  C 13  57.887 0.086 . 1 . . . A  27 LEU CA   8 18493 1 
      104 . 1 1  27  27 LEU CB  C 13  41.591 0.147 . 1 . . . A  27 LEU CB   6 18493 1 
      105 . 1 1  27  27 LEU CG  C 13  27.146 0.010 . 1 . . . A  27 LEU CG   2 18493 1 
      106 . 1 1  27  27 LEU CD1 C 13  23.581 0.300 . 2 . . . A  27 LEU CD1  1 18493 1 
      107 . 1 1  27  27 LEU CD2 C 13  23.581 0.300 . 2 . . . A  27 LEU CD2  1 18493 1 
      108 . 1 1  27  27 LEU N   N 15 119.661 0.205 . 1 . . . A  27 LEU N   13 18493 1 
      109 . 1 1  28  28 THR C   C 13 175.898 0.179 . 1 . . . A  28 THR C    4 18493 1 
      110 . 1 1  28  28 THR CA  C 13  67.459 0.166 . 1 . . . A  28 THR CA  14 18493 1 
      111 . 1 1  28  28 THR CB  C 13  67.948 0.178 . 1 . . . A  28 THR CB   5 18493 1 
      112 . 1 1  28  28 THR CG2 C 13  21.766 0.102 . 1 . . . A  28 THR CG2  6 18493 1 
      113 . 1 1  28  28 THR N   N 15 118.484 0.098 . 1 . . . A  28 THR N    4 18493 1 
      114 . 1 1  29  29 ALA H   H  1   8.302 0.020 . 1 . . . A  29 ALA H    2 18493 1 
      115 . 1 1  29  29 ALA C   C 13 179.717 0.245 . 1 . . . A  29 ALA C   15 18493 1 
      116 . 1 1  29  29 ALA CA  C 13  55.919 0.261 . 1 . . . A  29 ALA CA  24 18493 1 
      117 . 1 1  29  29 ALA CB  C 13  16.837 0.362 . 1 . . . A  29 ALA CB  22 18493 1 
      118 . 1 1  29  29 ALA N   N 15 122.643 0.176 . 1 . . . A  29 ALA N   11 18493 1 
      119 . 1 1  30  30 LEU H   H  1   8.412 0.023 . 1 . . . A  30 LEU H    2 18493 1 
      120 . 1 1  30  30 LEU C   C 13 178.143 0.127 . 1 . . . A  30 LEU C    2 18493 1 
      121 . 1 1  30  30 LEU CA  C 13  57.384 0.150 . 1 . . . A  30 LEU CA  16 18493 1 
      122 . 1 1  30  30 LEU CB  C 13  41.679 0.199 . 1 . . . A  30 LEU CB   5 18493 1 
      123 . 1 1  30  30 LEU CG  C 13  26.482 0.118 . 1 . . . A  30 LEU CG   4 18493 1 
      124 . 1 1  30  30 LEU CD1 C 13  22.521 0.291 . 2 . . . A  30 LEU CD1  2 18493 1 
      125 . 1 1  30  30 LEU CD2 C 13  22.812 0.300 . 2 . . . A  30 LEU CD2  1 18493 1 
      126 . 1 1  30  30 LEU N   N 15 117.408 0.101 . 1 . . . A  30 LEU N   23 18493 1 
      127 . 1 1  31  31 TRP H   H  1   9.157 0.012 . 1 . . . A  31 TRP H    2 18493 1 
      128 . 1 1  31  31 TRP C   C 13 179.053 0.300 . 1 . . . A  31 TRP C    1 18493 1 
      129 . 1 1  31  31 TRP CA  C 13  59.005 0.007 . 1 . . . A  31 TRP CA   3 18493 1 
      130 . 1 1  31  31 TRP CB  C 13  28.142 0.036 . 1 . . . A  31 TRP CB   3 18493 1 
      131 . 1 1  31  31 TRP N   N 15 125.692 0.018 . 1 . . . A  31 TRP N    2 18493 1 
      132 . 1 1  32  32 PHE H   H  1   9.374 0.012 . 1 . . . A  32 PHE H    2 18493 1 
      133 . 1 1  32  32 PHE CA  C 13  61.557 0.239 . 1 . . . A  32 PHE CA   3 18493 1 
      134 . 1 1  32  32 PHE CB  C 13  38.384 0.300 . 1 . . . A  32 PHE CB   1 18493 1 
      135 . 1 1  32  32 PHE N   N 15 119.195 0.300 . 1 . . . A  32 PHE N    2 18493 1 
      136 . 1 1  33  33 GLN C   C 13 177.477 0.215 . 1 . . . A  33 GLN C    3 18493 1 
      137 . 1 1  33  33 GLN CA  C 13  56.613 0.300 . 1 . . . A  33 GLN CA   1 18493 1 
      138 . 1 1  33  33 GLN CB  C 13  29.433 0.172 . 1 . . . A  33 GLN CB   3 18493 1 
      139 . 1 1  34  34 HIS H   H  1   9.621 0.026 . 1 . . . A  34 HIS H    3 18493 1 
      140 . 1 1  34  34 HIS C   C 13 175.548 0.282 . 1 . . . A  34 HIS C    2 18493 1 
      141 . 1 1  34  34 HIS CA  C 13  58.733 0.049 . 1 . . . A  34 HIS CA   3 18493 1 
      142 . 1 1  34  34 HIS CB  C 13  32.084 0.437 . 1 . . . A  34 HIS CB   4 18493 1 
      143 . 1 1  34  34 HIS CG  C 13 137.404 2.253 . 1 . . . A  34 HIS CG   7 18493 1 
      144 . 1 1  34  34 HIS CD2 C 13 117.518 0.108 . 1 . . . A  34 HIS CD2  7 18493 1 
      145 . 1 1  34  34 HIS CE1 C 13 139.690 0.204 . 1 . . . A  34 HIS CE1  4 18493 1 
      146 . 1 1  34  34 HIS N   N 15 115.948 0.073 . 1 . . . A  34 HIS N    3 18493 1 
      147 . 1 1  35  35 VAL C   C 13 177.853 0.300 . 1 . . . A  35 VAL C    1 18493 1 
      148 . 1 1  35  35 VAL CA  C 13  64.075 0.169 . 1 . . . A  35 VAL CA   9 18493 1 
      149 . 1 1  35  35 VAL CB  C 13  30.626 0.051 . 1 . . . A  35 VAL CB   2 18493 1 
      150 . 1 1  35  35 VAL CG2 C 13  21.112 0.079 . 2 . . . A  35 VAL CG2  5 18493 1 
      151 . 1 1  35  35 VAL N   N 15 116.902 0.004 . 1 . . . A  35 VAL N    3 18493 1 
      152 . 1 1  36  36 MET H   H  1   7.605 0.034 . 1 . . . A  36 MET H    3 18493 1 
      153 . 1 1  36  36 MET C   C 13 175.905 0.300 . 1 . . . A  36 MET C    1 18493 1 
      154 . 1 1  36  36 MET N   N 15 114.145 0.036 . 1 . . . A  36 MET N    2 18493 1 
      155 . 1 1  37  37 LEU H   H  1   7.121 0.026 . 1 . . . A  37 LEU H    3 18493 1 
      156 . 1 1  37  37 LEU N   N 15 111.740 0.034 . 1 . . . A  37 LEU N    4 18493 1 
      157 . 1 1  38  38 LEU C   C 13 176.457 0.300 . 1 . . . A  38 LEU C    1 18493 1 
      158 . 1 1  39  39 LYS H   H  1   9.359 0.022 . 1 . . . A  39 LYS H    3 18493 1 
      159 . 1 1  39  39 LYS CA  C 13  57.471 0.300 . 1 . . . A  39 LYS CA   1 18493 1 
      160 . 1 1  39  39 LYS N   N 15 121.418 0.022 . 1 . . . A  39 LYS N    3 18493 1 
      161 . 1 1  40  40 PRO CA  C 13  60.451 0.300 . 1 . . . A  40 PRO CA   1 18493 1 
      162 . 1 1  40  40 PRO CD  C 13  51.590 0.244 . 1 . . . A  40 PRO CD   4 18493 1 
      163 . 1 1  42  42 VAL C   C 13 179.261 0.126 . 1 . . . A  42 VAL C    4 18493 1 
      164 . 1 1  42  42 VAL CA  C 13  67.223 0.316 . 1 . . . A  42 VAL CA   3 18493 1 
      165 . 1 1  42  42 VAL CB  C 13  30.941 0.262 . 1 . . . A  42 VAL CB   2 18493 1 
      166 . 1 1  42  42 VAL CG1 C 13  23.413 0.300 . 2 . . . A  42 VAL CG1  1 18493 1 
      167 . 1 1  42  42 VAL CG2 C 13  21.922 0.300 . 2 . . . A  42 VAL CG2  1 18493 1 
      168 . 1 1  42  42 VAL N   N 15 118.166 0.021 . 1 . . . A  42 VAL N    2 18493 1 
      169 . 1 1  43  43 LEU C   C 13 178.293 0.388 . 1 . . . A  43 LEU C    8 18493 1 
      170 . 1 1  43  43 LEU CA  C 13  57.129 0.094 . 1 . . . A  43 LEU CA   3 18493 1 
      171 . 1 1  43  43 LEU CB  C 13  41.030 0.300 . 1 . . . A  43 LEU CB   1 18493 1 
      172 . 1 1  43  43 LEU CG  C 13  26.666 0.153 . 1 . . . A  43 LEU CG   2 18493 1 
      173 . 1 1  43  43 LEU CD1 C 13  21.873 0.300 . 2 . . . A  43 LEU CD1  1 18493 1 
      174 . 1 1  43  43 LEU CD2 C 13  21.866 0.300 . 2 . . . A  43 LEU CD2  1 18493 1 
      175 . 1 1  43  43 LEU N   N 15 115.946 0.075 . 1 . . . A  43 LEU N    4 18493 1 
      176 . 1 1  44  44 CYS H   H  1   7.683 0.032 . 1 . . . A  44 CYS H    2 18493 1 
      177 . 1 1  44  44 CYS C   C 13 177.484 0.210 . 1 . . . A  44 CYS C    7 18493 1 
      178 . 1 1  44  44 CYS CA  C 13  59.760 0.793 . 1 . . . A  44 CYS CA  13 18493 1 
      179 . 1 1  44  44 CYS CB  C 13  30.651 2.786 . 1 . . . A  44 CYS CB   4 18493 1 
      180 . 1 1  44  44 CYS N   N 15 115.006 0.814 . 1 . . . A  44 CYS N   17 18493 1 
      181 . 1 1  45  45 ILE C   C 13 179.575 0.247 . 1 . . . A  45 ILE C    6 18493 1 
      182 . 1 1  45  45 ILE CA  C 13  62.068 0.136 . 1 . . . A  45 ILE CA  14 18493 1 
      183 . 1 1  45  45 ILE CB  C 13  33.583 0.345 . 1 . . . A  45 ILE CB  12 18493 1 
      184 . 1 1  45  45 ILE CG1 C 13  25.847 0.024 . 1 . . . A  45 ILE CG1  4 18493 1 
      185 . 1 1  45  45 ILE CG2 C 13  19.220 0.032 . 1 . . . A  45 ILE CG2  4 18493 1 
      186 . 1 1  45  45 ILE CD1 C 13   8.010 0.069 . 1 . . . A  45 ILE CD1 40 18493 1 
      187 . 1 1  45  45 ILE N   N 15 119.384 1.920 . 1 . . . A  45 ILE N    5 18493 1 
      188 . 1 1  46  46 TYR H   H  1   8.958 0.053 . 1 . . . A  46 TYR H    3 18493 1 
      189 . 1 1  46  46 TYR C   C 13 178.397 0.035 . 1 . . . A  46 TYR C    2 18493 1 
      190 . 1 1  46  46 TYR CA  C 13  59.129 0.181 . 1 . . . A  46 TYR CA   3 18493 1 
      191 . 1 1  46  46 TYR CB  C 13  35.347 0.300 . 1 . . . A  46 TYR CB   1 18493 1 
      192 . 1 1  46  46 TYR N   N 15 120.126 0.331 . 1 . . . A  46 TYR N    8 18493 1 
      193 . 1 1  47  47 GLU H   H  1   9.681 0.005 . 1 . . . A  47 GLU H    2 18493 1 
      194 . 1 1  47  47 GLU C   C 13 179.907 0.129 . 1 . . . A  47 GLU C    6 18493 1 
      195 . 1 1  47  47 GLU CA  C 13  57.985 0.177 . 1 . . . A  47 GLU CA   5 18493 1 
      196 . 1 1  47  47 GLU CB  C 13  27.290 0.033 . 1 . . . A  47 GLU CB   2 18493 1 
      197 . 1 1  47  47 GLU CG  C 13  34.938 0.029 . 1 . . . A  47 GLU CG   2 18493 1 
      198 . 1 1  47  47 GLU N   N 15 121.779 0.043 . 1 . . . A  47 GLU N    4 18493 1 
      199 . 1 1  48  48 ARG H   H  1   9.213 0.020 . 1 . . . A  48 ARG H    2 18493 1 
      200 . 1 1  48  48 ARG C   C 13 181.638 0.106 . 1 . . . A  48 ARG C    5 18493 1 
      201 . 1 1  48  48 ARG CA  C 13  60.299 0.257 . 1 . . . A  48 ARG CA  16 18493 1 
      202 . 1 1  48  48 ARG CB  C 13  30.167 0.112 . 1 . . . A  48 ARG CB   7 18493 1 
      203 . 1 1  48  48 ARG CG  C 13  27.511 0.135 . 1 . . . A  48 ARG CG   8 18493 1 
      204 . 1 1  48  48 ARG CD  C 13  44.371 0.055 . 1 . . . A  48 ARG CD   6 18493 1 
      205 . 1 1  48  48 ARG N   N 15 119.188 0.232 . 1 . . . A  48 ARG N   13 18493 1 
      206 . 1 1  49  49 VAL C   C 13 177.326 0.183 . 1 . . . A  49 VAL C    9 18493 1 
      207 . 1 1  49  49 VAL CA  C 13  66.624 0.188 . 1 . . . A  49 VAL CA   4 18493 1 
      208 . 1 1  49  49 VAL CB  C 13  31.280 0.211 . 1 . . . A  49 VAL CB   3 18493 1 
      209 . 1 1  49  49 VAL CG1 C 13  23.674 0.635 . 2 . . . A  49 VAL CG1  2 18493 1 
      210 . 1 1  49  49 VAL CG2 C 13  22.427 0.073 . 2 . . . A  49 VAL CG2  2 18493 1 
      211 . 1 1  49  49 VAL N   N 15 121.326 0.053 . 1 . . . A  49 VAL N    4 18493 1 
      212 . 1 1  50  50 ALA C   C 13 179.594 0.173 . 1 . . . A  50 ALA C   10 18493 1 
      213 . 1 1  50  50 ALA CA  C 13  55.902 0.277 . 1 . . . A  50 ALA CA  13 18493 1 
      214 . 1 1  50  50 ALA CB  C 13  16.623 0.162 . 1 . . . A  50 ALA CB   7 18493 1 
      215 . 1 1  50  50 ALA N   N 15 122.955 0.356 . 1 . . . A  50 ALA N   11 18493 1 
      216 . 1 1  51  51 LEU C   C 13 177.990 0.294 . 1 . . . A  51 LEU C    7 18493 1 
      217 . 1 1  51  51 LEU CA  C 13  57.285 0.176 . 1 . . . A  51 LEU CA  14 18493 1 
      218 . 1 1  51  51 LEU CB  C 13  41.369 0.192 . 1 . . . A  51 LEU CB   5 18493 1 
      219 . 1 1  51  51 LEU CG  C 13  26.330 0.171 . 1 . . . A  51 LEU CG   2 18493 1 
      220 . 1 1  51  51 LEU CD1 C 13  21.941 0.300 . 2 . . . A  51 LEU CD1  1 18493 1 
      221 . 1 1  51  51 LEU CD2 C 13  21.771 0.300 . 2 . . . A  51 LEU CD2  1 18493 1 
      222 . 1 1  51  51 LEU N   N 15 115.737 0.292 . 1 . . . A  51 LEU N   13 18493 1 
      223 . 1 1  52  52 PHE H   H  1   8.863 0.012 . 1 . . . A  52 PHE H    2 18493 1 
      224 . 1 1  52  52 PHE C   C 13 179.142 0.183 . 1 . . . A  52 PHE C    8 18493 1 
      225 . 1 1  52  52 PHE CA  C 13  62.518 0.122 . 1 . . . A  52 PHE CA   9 18493 1 
      226 . 1 1  52  52 PHE CB  C 13  38.538 0.270 . 1 . . . A  52 PHE CB   2 18493 1 
      227 . 1 1  52  52 PHE N   N 15 122.707 0.169 . 1 . . . A  52 PHE N   10 18493 1 
      228 . 1 1  53  53 GLY H   H  1   9.027 0.010 . 1 . . . A  53 GLY H    2 18493 1 
      229 . 1 1  53  53 GLY C   C 13 175.378 0.225 . 1 . . . A  53 GLY C   15 18493 1 
      230 . 1 1  53  53 GLY CA  C 13  48.024 0.224 . 1 . . . A  53 GLY CA  24 18493 1 
      231 . 1 1  53  53 GLY N   N 15 110.801 0.218 . 1 . . . A  53 GLY N   16 18493 1 
      232 . 1 1  54  54 VAL H   H  1   7.948 0.031 . 1 . . . A  54 VAL H    2 18493 1 
      233 . 1 1  54  54 VAL C   C 13 177.035 0.204 . 1 . . . A  54 VAL C   11 18493 1 
      234 . 1 1  54  54 VAL CA  C 13  67.448 0.162 . 1 . . . A  54 VAL CA  25 18493 1 
      235 . 1 1  54  54 VAL CB  C 13  31.246 0.206 . 1 . . . A  54 VAL CB  10 18493 1 
      236 . 1 1  54  54 VAL CG1 C 13  22.269 0.108 . 2 . . . A  54 VAL CG1 11 18493 1 
      237 . 1 1  54  54 VAL CG2 C 13  21.012 0.177 . 2 . . . A  54 VAL CG2  8 18493 1 
      238 . 1 1  54  54 VAL N   N 15 121.926 0.158 . 1 . . . A  54 VAL N   23 18493 1 
      239 . 1 1  55  55 LEU H   H  1   8.646 0.011 . 1 . . . A  55 LEU H    2 18493 1 
      240 . 1 1  55  55 LEU C   C 13 178.175 0.460 . 1 . . . A  55 LEU C    5 18493 1 
      241 . 1 1  55  55 LEU CA  C 13  58.490 0.316 . 1 . . . A  55 LEU CA   9 18493 1 
      242 . 1 1  55  55 LEU CB  C 13  42.145 0.159 . 1 . . . A  55 LEU CB   7 18493 1 
      243 . 1 1  55  55 LEU CG  C 13  27.014 0.300 . 1 . . . A  55 LEU CG   1 18493 1 
      244 . 1 1  55  55 LEU CD1 C 13  25.695 0.248 . 2 . . . A  55 LEU CD1  2 18493 1 
      245 . 1 1  55  55 LEU CD2 C 13  25.376 0.300 . 2 . . . A  55 LEU CD2  1 18493 1 
      246 . 1 1  55  55 LEU N   N 15 119.894 0.170 . 1 . . . A  55 LEU N   16 18493 1 
      247 . 1 1  56  56 GLY C   C 13 174.618 0.131 . 1 . . . A  56 GLY C   14 18493 1 
      248 . 1 1  56  56 GLY CA  C 13  47.533 0.198 . 1 . . . A  56 GLY CA  28 18493 1 
      249 . 1 1  56  56 GLY N   N 15 106.262 0.109 . 1 . . . A  56 GLY N   12 18493 1 
      250 . 1 1  57  57 ALA C   C 13 178.688 0.218 . 1 . . . A  57 ALA C   13 18493 1 
      251 . 1 1  57  57 ALA CA  C 13  55.548 0.187 . 1 . . . A  57 ALA CA  23 18493 1 
      252 . 1 1  57  57 ALA CB  C 13  18.065 0.120 . 1 . . . A  57 ALA CB  17 18493 1 
      253 . 1 1  57  57 ALA N   N 15 123.002 0.111 . 1 . . . A  57 ALA N   13 18493 1 
      254 . 1 1  58  58 ALA H   H  1   8.674 0.003 . 1 . . . A  58 ALA H    2 18493 1 
      255 . 1 1  58  58 ALA C   C 13 179.348 0.158 . 1 . . . A  58 ALA C   13 18493 1 
      256 . 1 1  58  58 ALA CA  C 13  54.763 0.258 . 1 . . . A  58 ALA CA  18 18493 1 
      257 . 1 1  58  58 ALA CB  C 13  17.898 0.175 . 1 . . . A  58 ALA CB  13 18493 1 
      258 . 1 1  58  58 ALA N   N 15 118.866 0.161 . 1 . . . A  58 ALA N   17 18493 1 
      259 . 1 1  59  59 LEU C   C 13 177.654 0.300 . 1 . . . A  59 LEU C    1 18493 1 
      260 . 1 1  59  59 LEU CA  C 13  57.387 0.155 . 1 . . . A  59 LEU CA  14 18493 1 
      261 . 1 1  59  59 LEU CB  C 13  41.209 0.158 . 1 . . . A  59 LEU CB  10 18493 1 
      262 . 1 1  59  59 LEU CG  C 13  26.283 0.075 . 1 . . . A  59 LEU CG   3 18493 1 
      263 . 1 1  59  59 LEU CD1 C 13  21.815 0.300 . 2 . . . A  59 LEU CD1  1 18493 1 
      264 . 1 1  59  59 LEU CD2 C 13  21.744 0.300 . 2 . . . A  59 LEU CD2  1 18493 1 
      265 . 1 1  59  59 LEU N   N 15 115.384 0.135 . 1 . . . A  59 LEU N   20 18493 1 
      266 . 1 1  60  60 ILE C   C 13 180.024 0.233 . 1 . . . A  60 ILE C   10 18493 1 
      267 . 1 1  60  60 ILE CA  C 13  64.263 0.278 . 1 . . . A  60 ILE CA  25 18493 1 
      268 . 1 1  60  60 ILE CB  C 13  37.240 0.208 . 1 . . . A  60 ILE CB  16 18493 1 
      269 . 1 1  60  60 ILE CG1 C 13  29.859 0.184 . 1 . . . A  60 ILE CG1 10 18493 1 
      270 . 1 1  60  60 ILE CG2 C 13  16.881 0.091 . 1 . . . A  60 ILE CG2 11 18493 1 
      271 . 1 1  60  60 ILE CD1 C 13  13.606 0.125 . 1 . . . A  60 ILE CD1  9 18493 1 
      272 . 1 1  60  60 ILE N   N 15 116.140 0.148 . 1 . . . A  60 ILE N    7 18493 1 
      273 . 1 1  61  61 GLY H   H  1   9.046 0.002 . 1 . . . A  61 GLY H    2 18493 1 
      274 . 1 1  61  61 GLY C   C 13 173.716 0.189 . 1 . . . A  61 GLY C   13 18493 1 
      275 . 1 1  61  61 GLY CA  C 13  45.617 0.114 . 1 . . . A  61 GLY CA  23 18493 1 
      276 . 1 1  61  61 GLY N   N 15 110.127 0.293 . 1 . . . A  61 GLY N   17 18493 1 
      277 . 1 1  62  62 ALA H   H  1   8.066 0.012 . 1 . . . A  62 ALA H    2 18493 1 
      278 . 1 1  62  62 ALA C   C 13 176.192 0.092 . 1 . . . A  62 ALA C    3 18493 1 
      279 . 1 1  62  62 ALA CA  C 13  53.268 0.146 . 1 . . . A  62 ALA CA  25 18493 1 
      280 . 1 1  62  62 ALA CB  C 13  19.138 0.103 . 1 . . . A  62 ALA CB  12 18493 1 
      281 . 1 1  62  62 ALA N   N 15 118.949 0.237 . 1 . . . A  62 ALA N   15 18493 1 
      282 . 1 1  63  63 ILE CA  C 13  66.739 0.151 . 1 . . . A  63 ILE CA  15 18493 1 
      283 . 1 1  63  63 ILE CB  C 13  37.947 0.160 . 1 . . . A  63 ILE CB  19 18493 1 
      284 . 1 1  63  63 ILE CG1 C 13  29.043 0.468 . 1 . . . A  63 ILE CG1  4 18493 1 
      285 . 1 1  63  63 ILE CG2 C 13  16.921 0.191 . 1 . . . A  63 ILE CG2 10 18493 1 
      286 . 1 1  63  63 ILE CD1 C 13  14.543 0.153 . 1 . . . A  63 ILE CD1  8 18493 1 
      287 . 1 1  63  63 ILE N   N 15 116.800 0.227 . 1 . . . A  63 ILE N    4 18493 1 
      288 . 1 1  64  64 ALA CA  C 13  52.934 0.136 . 1 . . . A  64 ALA CA   5 18493 1 
      289 . 1 1  64  64 ALA CB  C 13  19.428 0.300 . 1 . . . A  64 ALA CB   1 18493 1 
      290 . 1 1  64  64 ALA N   N 15 123.957 0.300 . 1 . . . A  64 ALA N    1 18493 1 
      291 . 1 1  65  65 PRO CA  C 13  65.350 0.030 . 1 . . . A  65 PRO CA   2 18493 1 
      292 . 1 1  65  65 PRO CG  C 13  27.611 0.063 . 1 . . . A  65 PRO CG   2 18493 1 
      293 . 1 1  65  65 PRO CD  C 13  51.485 0.275 . 1 . . . A  65 PRO CD   5 18493 1 
      294 . 1 1  65  65 PRO N   N 15 128.226 0.174 . 1 . . . A  65 PRO N    4 18493 1 
      295 . 1 1  66  66 LYS C   C 13 177.500 0.300 . 1 . . . A  66 LYS C    1 18493 1 
      296 . 1 1  66  66 LYS CA  C 13  56.547 0.110 . 1 . . . A  66 LYS CA   3 18493 1 
      297 . 1 1  66  66 LYS CB  C 13  30.522 0.300 . 1 . . . A  66 LYS CB   1 18493 1 
      298 . 1 1  66  66 LYS CE  C 13  42.222 0.076 . 1 . . . A  66 LYS CE   2 18493 1 
      299 . 1 1  66  66 LYS N   N 15 116.618 0.155 . 1 . . . A  66 LYS N    2 18493 1 
      300 . 1 1  67  67 THR CA  C 13  60.452 0.240 . 1 . . . A  67 THR CA  10 18493 1 
      301 . 1 1  67  67 THR CB  C 13  69.948 0.041 . 1 . . . A  67 THR CB   8 18493 1 
      302 . 1 1  67  67 THR CG2 C 13  21.879 0.061 . 1 . . . A  67 THR CG2 10 18493 1 
      303 . 1 1  68  68 PRO C   C 13 177.070 0.300 . 1 . . . A  68 PRO C    1 18493 1 
      304 . 1 1  68  68 PRO CA  C 13  63.315 0.033 . 1 . . . A  68 PRO CA   2 18493 1 
      305 . 1 1  68  68 PRO CB  C 13  32.458 0.117 . 1 . . . A  68 PRO CB   3 18493 1 
      306 . 1 1  68  68 PRO CG  C 13  28.010 0.008 . 1 . . . A  68 PRO CG   2 18493 1 
      307 . 1 1  68  68 PRO CD  C 13  51.735 0.207 . 1 . . . A  68 PRO CD   6 18493 1 
      308 . 1 1  68  68 PRO N   N 15 129.713 0.223 . 1 . . . A  68 PRO N    3 18493 1 
      309 . 1 1  69  69 LEU H   H  1   8.882 0.010 . 1 . . . A  69 LEU H    2 18493 1 
      310 . 1 1  69  69 LEU C   C 13 179.448 0.164 . 1 . . . A  69 LEU C    6 18493 1 
      311 . 1 1  69  69 LEU CA  C 13  57.389 0.300 . 1 . . . A  69 LEU CA   1 18493 1 
      312 . 1 1  69  69 LEU CB  C 13  42.737 0.300 . 1 . . . A  69 LEU CB   1 18493 1 
      313 . 1 1  69  69 LEU CG  C 13  26.295 0.300 . 1 . . . A  69 LEU CG   1 18493 1 
      314 . 1 1  69  69 LEU CD1 C 13  23.591 0.300 . 2 . . . A  69 LEU CD1  1 18493 1 
      315 . 1 1  69  69 LEU CD2 C 13  23.617 0.300 . 2 . . . A  69 LEU CD2  1 18493 1 
      316 . 1 1  69  69 LEU N   N 15 121.517 0.015 . 1 . . . A  69 LEU N    2 18493 1 
      317 . 1 1  70  70 ARG H   H  1   8.202 0.037 . 1 . . . A  70 ARG H    3 18493 1 
      318 . 1 1  70  70 ARG C   C 13 177.925 0.300 . 1 . . . A  70 ARG C    1 18493 1 
      319 . 1 1  70  70 ARG CA  C 13  58.429 0.227 . 1 . . . A  70 ARG CA  11 18493 1 
      320 . 1 1  70  70 ARG CB  C 13  29.391 0.149 . 1 . . . A  70 ARG CB   3 18493 1 
      321 . 1 1  70  70 ARG CG  C 13  26.748 0.071 . 1 . . . A  70 ARG CG   6 18493 1 
      322 . 1 1  70  70 ARG CD  C 13  44.579 0.104 . 1 . . . A  70 ARG CD  11 18493 1 
      323 . 1 1  70  70 ARG CZ  C 13 159.739 0.300 . 1 . . . A  70 ARG CZ   1 18493 1 
      324 . 1 1  70  70 ARG N   N 15 114.028 0.148 . 1 . . . A  70 ARG N    9 18493 1 
      325 . 1 1  71  71 TYR H   H  1   8.136 0.015 . 1 . . . A  71 TYR H    2 18493 1 
      326 . 1 1  71  71 TYR CA  C 13  57.374 0.092 . 1 . . . A  71 TYR CA   3 18493 1 
      327 . 1 1  71  71 TYR N   N 15 121.740 0.015 . 1 . . . A  71 TYR N    2 18493 1 
      328 . 1 1  72  72 VAL C   C 13 177.702 0.132 . 1 . . . A  72 VAL C   13 18493 1 
      329 . 1 1  72  72 VAL CA  C 13  66.098 0.174 . 1 . . . A  72 VAL CA  22 18493 1 
      330 . 1 1  72  72 VAL CB  C 13  31.343 0.089 . 1 . . . A  72 VAL CB   7 18493 1 
      331 . 1 1  72  72 VAL CG1 C 13  22.760 0.073 . 2 . . . A  72 VAL CG1  6 18493 1 
      332 . 1 1  72  72 VAL CG2 C 13  21.150 0.404 . 2 . . . A  72 VAL CG2 12 18493 1 
      333 . 1 1  72  72 VAL N   N 15 118.416 0.293 . 1 . . . A  72 VAL N    6 18493 1 
      334 . 1 1  73  73 ALA H   H  1   9.015 0.030 . 1 . . . A  73 ALA H    3 18493 1 
      335 . 1 1  73  73 ALA C   C 13 179.763 0.155 . 1 . . . A  73 ALA C   10 18493 1 
      336 . 1 1  73  73 ALA CA  C 13  55.785 0.150 . 1 . . . A  73 ALA CA  31 18493 1 
      337 . 1 1  73  73 ALA CB  C 13  19.265 0.132 . 1 . . . A  73 ALA CB  17 18493 1 
      338 . 1 1  73  73 ALA N   N 15 120.283 0.342 . 1 . . . A  73 ALA N   20 18493 1 
      339 . 1 1  74  74 MET H   H  1   8.163 0.008 . 1 . . . A  74 MET H    2 18493 1 
      340 . 1 1  74  74 MET C   C 13 177.223 0.236 . 1 . . . A  74 MET C   12 18493 1 
      341 . 1 1  74  74 MET CA  C 13  61.023 0.161 . 1 . . . A  74 MET CA  16 18493 1 
      342 . 1 1  74  74 MET CB  C 13  33.777 0.092 . 1 . . . A  74 MET CB   3 18493 1 
      343 . 1 1  74  74 MET CG  C 13  35.778 0.203 . 1 . . . A  74 MET CG   6 18493 1 
      344 . 1 1  74  74 MET N   N 15 115.547 0.203 . 1 . . . A  74 MET N   14 18493 1 
      345 . 1 1  75  75 VAL H   H  1   7.554 0.034 . 1 . . . A  75 VAL H    2 18493 1 
      346 . 1 1  75  75 VAL C   C 13 177.166 0.124 . 1 . . . A  75 VAL C    5 18493 1 
      347 . 1 1  75  75 VAL CA  C 13  67.581 0.250 . 1 . . . A  75 VAL CA  13 18493 1 
      348 . 1 1  75  75 VAL CB  C 13  31.408 0.100 . 1 . . . A  75 VAL CB   4 18493 1 
      349 . 1 1  75  75 VAL CG1 C 13  23.448 0.034 . 2 . . . A  75 VAL CG1  4 18493 1 
      350 . 1 1  75  75 VAL CG2 C 13  21.778 0.300 . 2 . . . A  75 VAL CG2  1 18493 1 
      351 . 1 1  75  75 VAL N   N 15 118.690 0.254 . 1 . . . A  75 VAL N   16 18493 1 
      352 . 1 1  76  76 ILE C   C 13 178.680 0.168 . 1 . . . A  76 ILE C   11 18493 1 
      353 . 1 1  76  76 ILE CA  C 13  65.839 0.221 . 1 . . . A  76 ILE CA  23 18493 1 
      354 . 1 1  76  76 ILE CB  C 13  38.414 0.257 . 1 . . . A  76 ILE CB   9 18493 1 
      355 . 1 1  76  76 ILE CG1 C 13  31.176 0.211 . 1 . . . A  76 ILE CG1  7 18493 1 
      356 . 1 1  76  76 ILE CG2 C 13  17.003 0.122 . 1 . . . A  76 ILE CG2  8 18493 1 
      357 . 1 1  76  76 ILE CD1 C 13  14.703 0.196 . 1 . . . A  76 ILE CD1  3 18493 1 
      358 . 1 1  76  76 ILE N   N 15 118.959 0.210 . 1 . . . A  76 ILE N   13 18493 1 
      359 . 1 1  77  77 TRP H   H  1   9.515 0.015 . 1 . . . A  77 TRP H    2 18493 1 
      360 . 1 1  77  77 TRP C   C 13 177.153 0.135 . 1 . . . A  77 TRP C    8 18493 1 
      361 . 1 1  77  77 TRP CA  C 13  58.779 0.111 . 1 . . . A  77 TRP CA  12 18493 1 
      362 . 1 1  77  77 TRP CB  C 13  30.494 0.281 . 1 . . . A  77 TRP CB  11 18493 1 
      363 . 1 1  77  77 TRP CG  C 13 114.126 0.300 . 1 . . . A  77 TRP CG   1 18493 1 
      364 . 1 1  77  77 TRP CD1 C 13 122.582 0.300 . 4 . . . A  77 TRP CD1  1 18493 1 
      365 . 1 1  77  77 TRP N   N 15 125.440 0.096 . 1 . . . A  77 TRP N   17 18493 1 
      366 . 1 1  78  78 LEU H   H  1   9.367 0.005 . 1 . . . A  78 LEU H    2 18493 1 
      367 . 1 1  78  78 LEU C   C 13 178.381 0.099 . 1 . . . A  78 LEU C    5 18493 1 
      368 . 1 1  78  78 LEU CA  C 13  58.041 0.256 . 1 . . . A  78 LEU CA   9 18493 1 
      369 . 1 1  78  78 LEU CB  C 13  43.807 0.230 . 1 . . . A  78 LEU CB   6 18493 1 
      370 . 1 1  78  78 LEU CG  C 13  27.131 0.216 . 1 . . . A  78 LEU CG   4 18493 1 
      371 . 1 1  78  78 LEU CD1 C 13  23.311 0.300 . 2 . . . A  78 LEU CD1  1 18493 1 
      372 . 1 1  78  78 LEU CD2 C 13  23.168 0.300 . 2 . . . A  78 LEU CD2  1 18493 1 
      373 . 1 1  78  78 LEU N   N 15 118.968 0.194 . 1 . . . A  78 LEU N   13 18493 1 
      374 . 1 1  79  79 TYR C   C 13 176.777 0.210 . 1 . . . A  79 TYR C    5 18493 1 
      375 . 1 1  79  79 TYR CA  C 13  62.849 0.235 . 1 . . . A  79 TYR CA   3 18493 1 
      376 . 1 1  79  79 TYR N   N 15 118.181 0.222 . 1 . . . A  79 TYR N    6 18493 1 
      377 . 1 1  80  80 SER C   C 13 175.943 0.092 . 1 . . . A  80 SER C    8 18493 1 
      378 . 1 1  80  80 SER CA  C 13  63.515 0.093 . 1 . . . A  80 SER CA  15 18493 1 
      379 . 1 1  80  80 SER CB  C 13  63.941 0.300 . 1 . . . A  80 SER CB   1 18493 1 
      380 . 1 1  80  80 SER N   N 15 114.286 0.173 . 1 . . . A  80 SER N    8 18493 1 
      381 . 1 1  81  81 ALA C   C 13 178.208 0.148 . 1 . . . A  81 ALA C    4 18493 1 
      382 . 1 1  81  81 ALA CA  C 13  55.224 0.139 . 1 . . . A  81 ALA CA  18 18493 1 
      383 . 1 1  81  81 ALA CB  C 13  17.897 0.096 . 1 . . . A  81 ALA CB   9 18493 1 
      384 . 1 1  81  81 ALA N   N 15 121.070 0.164 . 1 . . . A  81 ALA N   11 18493 1 
      385 . 1 1  82  82 PHE C   C 13 176.975 0.033 . 1 . . . A  82 PHE C    2 18493 1 
      386 . 1 1  82  82 PHE CA  C 13  62.132 0.255 . 1 . . . A  82 PHE CA   6 18493 1 
      387 . 1 1  82  82 PHE CB  C 13  38.497 0.300 . 1 . . . A  82 PHE CB   1 18493 1 
      388 . 1 1  82  82 PHE N   N 15 117.560 0.068 . 1 . . . A  82 PHE N    5 18493 1 
      389 . 1 1  83  83 ARG C   C 13 178.637 0.085 . 1 . . . A  83 ARG C    7 18493 1 
      390 . 1 1  83  83 ARG CA  C 13  60.291 0.584 . 1 . . . A  83 ARG CA  10 18493 1 
      391 . 1 1  83  83 ARG CB  C 13  28.625 0.036 . 1 . . . A  83 ARG CB   2 18493 1 
      392 . 1 1  83  83 ARG CG  C 13  26.715 0.649 . 1 . . . A  83 ARG CG   2 18493 1 
      393 . 1 1  83  83 ARG CD  C 13  43.764 0.100 . 1 . . . A  83 ARG CD   2 18493 1 
      394 . 1 1  83  83 ARG N   N 15 117.110 0.185 . 1 . . . A  83 ARG N    3 18493 1 
      395 . 1 1  84  84 GLY C   C 13 177.091 0.256 . 1 . . . A  84 GLY C    9 18493 1 
      396 . 1 1  84  84 GLY CA  C 13  46.128 0.261 . 1 . . . A  84 GLY CA  13 18493 1 
      397 . 1 1  84  84 GLY N   N 15 105.915 0.270 . 1 . . . A  84 GLY N   11 18493 1 
      398 . 1 1  85  85 VAL C   C 13 176.387 0.304 . 1 . . . A  85 VAL C    6 18493 1 
      399 . 1 1  85  85 VAL CA  C 13  66.960 0.198 . 1 . . . A  85 VAL CA  16 18493 1 
      400 . 1 1  85  85 VAL CB  C 13  31.066 0.289 . 1 . . . A  85 VAL CB   5 18493 1 
      401 . 1 1  85  85 VAL CG1 C 13  23.638 0.278 . 2 . . . A  85 VAL CG1  4 18493 1 
      402 . 1 1  85  85 VAL CG2 C 13  21.858 0.069 . 2 . . . A  85 VAL CG2  4 18493 1 
      403 . 1 1  85  85 VAL N   N 15 124.985 0.240 . 1 . . . A  85 VAL N   13 18493 1 
      404 . 1 1  86  86 GLN C   C 13 179.586 0.523 . 1 . . . A  86 GLN C    2 18493 1 
      405 . 1 1  86  86 GLN CA  C 13  59.505 0.113 . 1 . . . A  86 GLN CA   3 18493 1 
      406 . 1 1  86  86 GLN CB  C 13  28.762 0.269 . 1 . . . A  86 GLN CB   4 18493 1 
      407 . 1 1  86  86 GLN CG  C 13  34.909 0.059 . 1 . . . A  86 GLN CG   2 18493 1 
      408 . 1 1  86  86 GLN N   N 15 116.522 0.164 . 1 . . . A  86 GLN N    5 18493 1 
      409 . 1 1  87  87 LEU H   H  1   8.955 0.025 . 1 . . . A  87 LEU H    2 18493 1 
      410 . 1 1  87  87 LEU C   C 13 178.396 0.357 . 1 . . . A  87 LEU C    4 18493 1 
      411 . 1 1  87  87 LEU CA  C 13  57.847 0.244 . 1 . . . A  87 LEU CA   8 18493 1 
      412 . 1 1  87  87 LEU CB  C 13  41.924 0.206 . 1 . . . A  87 LEU CB   4 18493 1 
      413 . 1 1  87  87 LEU CG  C 13  26.767 0.247 . 1 . . . A  87 LEU CG   2 18493 1 
      414 . 1 1  87  87 LEU CD1 C 13  23.627 0.300 . 2 . . . A  87 LEU CD1  1 18493 1 
      415 . 1 1  87  87 LEU CD2 C 13  23.596 0.300 . 2 . . . A  87 LEU CD2  1 18493 1 
      416 . 1 1  87  87 LEU N   N 15 121.211 0.179 . 1 . . . A  87 LEU N    7 18493 1 
      417 . 1 1  88  88 THR H   H  1   8.764 0.046 . 1 . . . A  88 THR H    2 18493 1 
      418 . 1 1  88  88 THR C   C 13 180.013 0.300 . 1 . . . A  88 THR C    1 18493 1 
      419 . 1 1  88  88 THR CA  C 13  65.112 0.115 . 1 . . . A  88 THR CA  16 18493 1 
      420 . 1 1  88  88 THR CB  C 13  68.805 0.088 . 1 . . . A  88 THR CB  13 18493 1 
      421 . 1 1  88  88 THR CG2 C 13  24.796 0.115 . 1 . . . A  88 THR CG2 14 18493 1 
      422 . 1 1  88  88 THR N   N 15 108.251 0.245 . 1 . . . A  88 THR N    6 18493 1 
      423 . 1 1  89  89 TYR H   H  1   9.868 0.002 . 1 . . . A  89 TYR H    2 18493 1 
      424 . 1 1  89  89 TYR C   C 13 177.244 0.300 . 1 . . . A  89 TYR C    1 18493 1 
      425 . 1 1  89  89 TYR N   N 15 127.947 0.039 . 1 . . . A  89 TYR N    2 18493 1 
      426 . 1 1  90  90 GLU H   H  1   8.515 0.020 . 1 . . . A  90 GLU H    2 18493 1 
      427 . 1 1  90  90 GLU C   C 13 178.671 0.348 . 1 . . . A  90 GLU C    2 18493 1 
      428 . 1 1  90  90 GLU N   N 15 121.163 0.032 . 1 . . . A  90 GLU N    2 18493 1 
      429 . 1 1  91  91 HIS H   H  1   9.102 0.008 . 1 . . . A  91 HIS H    3 18493 1 
      430 . 1 1  91  91 HIS C   C 13 177.605 0.067 . 1 . . . A  91 HIS C    5 18493 1 
      431 . 1 1  91  91 HIS CA  C 13  57.085 0.057 . 1 . . . A  91 HIS CA   6 18493 1 
      432 . 1 1  91  91 HIS CB  C 13  34.128 0.104 . 1 . . . A  91 HIS CB   3 18493 1 
      433 . 1 1  91  91 HIS CG  C 13 136.131 0.120 . 1 . . . A  91 HIS CG   6 18493 1 
      434 . 1 1  91  91 HIS CD2 C 13 113.845 0.059 . 1 . . . A  91 HIS CD2  5 18493 1 
      435 . 1 1  91  91 HIS CE1 C 13 141.123 0.064 . 1 . . . A  91 HIS CE1  5 18493 1 
      436 . 1 1  91  91 HIS N   N 15 120.459 0.180 . 1 . . . A  91 HIS N    5 18493 1 
      437 . 1 1  92  92 THR H   H  1   9.550 0.009 . 1 . . . A  92 THR H    2 18493 1 
      438 . 1 1  92  92 THR C   C 13 176.189 0.300 . 1 . . . A  92 THR C    1 18493 1 
      439 . 1 1  92  92 THR CA  C 13  67.058 0.205 . 1 . . . A  92 THR CA   4 18493 1 
      440 . 1 1  92  92 THR CB  C 13  68.564 0.183 . 1 . . . A  92 THR CB   3 18493 1 
      441 . 1 1  92  92 THR CG2 C 13  27.476 0.300 . 1 . . . A  92 THR CG2  1 18493 1 
      442 . 1 1  92  92 THR N   N 15 115.463 0.141 . 1 . . . A  92 THR N    3 18493 1 
      443 . 1 1  93  93 MET C   C 13 176.972 0.093 . 1 . . . A  93 MET C    4 18493 1 
      444 . 1 1  93  93 MET CA  C 13  62.369 0.117 . 1 . . . A  93 MET CA   5 18493 1 
      445 . 1 1  93  93 MET CB  C 13  33.515 0.300 . 1 . . . A  93 MET CB   1 18493 1 
      446 . 1 1  93  93 MET CG  C 13  35.406 0.300 . 1 . . . A  93 MET CG   1 18493 1 
      447 . 1 1  93  93 MET N   N 15 117.153 0.150 . 1 . . . A  93 MET N    6 18493 1 
      448 . 1 1  94  94 LEU H   H  1   8.497 0.300 . 1 . . . A  94 LEU H    1 18493 1 
      449 . 1 1  94  94 LEU CA  C 13  57.489 0.077 . 1 . . . A  94 LEU CA   8 18493 1 
      450 . 1 1  94  94 LEU CB  C 13  41.432 0.089 . 1 . . . A  94 LEU CB   2 18493 1 
      451 . 1 1  94  94 LEU CG  C 13  26.603 0.055 . 1 . . . A  94 LEU CG   2 18493 1 
      452 . 1 1  94  94 LEU CD1 C 13  22.658 0.101 . 2 . . . A  94 LEU CD1  2 18493 1 
      453 . 1 1  94  94 LEU CD2 C 13  22.759 0.300 . 2 . . . A  94 LEU CD2  1 18493 1 
      454 . 1 1  94  94 LEU N   N 15 117.981 0.315 . 1 . . . A  94 LEU N   10 18493 1 
      455 . 1 1  95  95 GLN C   C 13 178.331 0.045 . 1 . . . A  95 GLN C    2 18493 1 
      456 . 1 1  95  95 GLN CA  C 13  57.604 0.300 . 1 . . . A  95 GLN CA   1 18493 1 
      457 . 1 1  95  95 GLN CB  C 13  28.200 0.300 . 1 . . . A  95 GLN CB   1 18493 1 
      458 . 1 1  96  96 LEU C   C 13 177.842 0.134 . 1 . . . A  96 LEU C    5 18493 1 
      459 . 1 1  96  96 LEU CA  C 13  57.747 0.300 . 1 . . . A  96 LEU CA   2 18493 1 
      460 . 1 1  96  96 LEU CB  C 13  41.721 0.068 . 1 . . . A  96 LEU CB   2 18493 1 
      461 . 1 1  96  96 LEU CG  C 13  27.022 0.300 . 1 . . . A  96 LEU CG   1 18493 1 
      462 . 1 1  96  96 LEU CD1 C 13  23.513 0.300 . 2 . . . A  96 LEU CD1  1 18493 1 
      463 . 1 1  96  96 LEU CD2 C 13  22.940 0.300 . 2 . . . A  96 LEU CD2  1 18493 1 
      464 . 1 1  96  96 LEU N   N 15 118.174 0.129 . 1 . . . A  96 LEU N    2 18493 1 
      465 . 1 1  97  97 TYR H   H  1   8.485 0.004 . 1 . . . A  97 TYR H    2 18493 1 
      466 . 1 1  97  97 TYR CA  C 13  57.581 0.199 . 1 . . . A  97 TYR CA   6 18493 1 
      467 . 1 1  97  97 TYR N   N 15 117.359 0.153 . 1 . . . A  97 TYR N    7 18493 1 
      468 . 1 1  98  98 PRO CA  C 13  63.847 0.300 . 1 . . . A  98 PRO CA   1 18493 1 
      469 . 1 1  98  98 PRO CD  C 13  50.919 0.110 . 1 . . . A  98 PRO CD   3 18493 1 
      470 . 1 1  98  98 PRO N   N 15 130.765 0.300 . 1 . . . A  98 PRO N    1 18493 1 
      471 . 1 1  99  99 SER CA  C 13  58.145 0.263 . 1 . . . A  99 SER CA   7 18493 1 
      472 . 1 1  99  99 SER CB  C 13  64.506 0.157 . 1 . . . A  99 SER CB   3 18493 1 
      473 . 1 1 100 100 PRO CD  C 13  50.825 0.084 . 1 . . . A 100 PRO CD   3 18493 1 
      474 . 1 1 100 100 PRO N   N 15 130.137 0.300 . 1 . . . A 100 PRO N    1 18493 1 
      475 . 1 1 101 101 PHE C   C 13 174.992 0.300 . 1 . . . A 101 PHE C    1 18493 1 
      476 . 1 1 102 102 ALA H   H  1   7.383 0.024 . 1 . . . A 102 ALA H    2 18493 1 
      477 . 1 1 102 102 ALA C   C 13 176.810 0.300 . 1 . . . A 102 ALA C    1 18493 1 
      478 . 1 1 102 102 ALA CA  C 13  54.355 0.017 . 1 . . . A 102 ALA CA   2 18493 1 
      479 . 1 1 102 102 ALA N   N 15 120.614 0.024 . 1 . . . A 102 ALA N    2 18493 1 
      480 . 1 1 103 103 THR H   H  1   9.278 0.020 . 1 . . . A 103 THR H    2 18493 1 
      481 . 1 1 103 103 THR C   C 13 175.666 0.155 . 1 . . . A 103 THR C    2 18493 1 
      482 . 1 1 103 103 THR CA  C 13  59.838 0.300 . 1 . . . A 103 THR CA   1 18493 1 
      483 . 1 1 103 103 THR CB  C 13  67.623 0.300 . 1 . . . A 103 THR CB   1 18493 1 
      484 . 1 1 103 103 THR CG2 C 13  20.002 0.300 . 1 . . . A 103 THR CG2  1 18493 1 
      485 . 1 1 103 103 THR N   N 15 112.507 0.194 . 1 . . . A 103 THR N    5 18493 1 
      486 . 1 1 104 104 CYS H   H  1   9.934 0.012 . 1 . . . A 104 CYS H    2 18493 1 
      487 . 1 1 104 104 CYS C   C 13 174.474 0.300 . 1 . . . A 104 CYS C    1 18493 1 
      488 . 1 1 104 104 CYS CA  C 13  64.988 0.300 . 1 . . . A 104 CYS CA   1 18493 1 
      489 . 1 1 104 104 CYS CB  C 13  42.988 0.300 . 1 . . . A 104 CYS CB   1 18493 1 
      490 . 1 1 104 104 CYS N   N 15 122.754 0.031 . 1 . . . A 104 CYS N    3 18493 1 
      491 . 1 1 105 105 ASP H   H  1   8.153 0.005 . 1 . . . A 105 ASP H    2 18493 1 
      492 . 1 1 105 105 ASP CB  C 13  41.030 0.300 . 1 . . . A 105 ASP CB   1 18493 1 
      493 . 1 1 105 105 ASP N   N 15 121.350 0.012 . 1 . . . A 105 ASP N    2 18493 1 
      494 . 1 1 108 108 VAL C   C 13 175.472 0.115 . 1 . . . A 108 VAL C    3 18493 1 
      495 . 1 1 108 108 VAL CA  C 13  61.483 0.237 . 1 . . . A 108 VAL CA   8 18493 1 
      496 . 1 1 108 108 VAL CB  C 13  32.076 0.300 . 1 . . . A 108 VAL CB   1 18493 1 
      497 . 1 1 108 108 VAL CG1 C 13  22.907 0.056 . 2 . . . A 108 VAL CG1  4 18493 1 
      498 . 1 1 108 108 VAL CG2 C 13  21.098 0.044 . 2 . . . A 108 VAL CG2  4 18493 1 
      499 . 1 1 108 108 VAL N   N 15 112.506 0.026 . 1 . . . A 108 VAL N    3 18493 1 
      500 . 1 1 109 109 ARG N   N 15 112.150 0.050 . 1 . . . . 109 ARG N    3 18493 1 
      501 . 1 1 110 110 PHE CA  C 13  58.681 0.114 . 1 . . . . 110 PHE CA   2 18493 1 
      502 . 1 1 111 111 PRO CA  C 13  65.848 0.300 . 1 . . . . 111 PRO CA   1 18493 1 
      503 . 1 1 111 111 PRO CD  C 13  51.081 0.220 . 1 . . . . 111 PRO CD   4 18493 1 
      504 . 1 1 112 112 GLU C   C 13 177.165 0.300 . 1 . . . . 112 GLU C    1 18493 1 
      505 . 1 1 113 113 TRP H   H  1   9.706 0.060 . 1 . . . . 113 TRP HN   3 18493 1 
      506 . 1 1 113 113 TRP CA  C 13  53.381 0.091 . 1 . . . . 113 TRP CA   2 18493 1 
      507 . 1 1 113 113 TRP N   N 15 111.820 0.076 . 1 . . . . 113 TRP N    3 18493 1 
      508 . 1 1 114 114 LEU CB  C 13  41.351 0.300 . 1 . . . A 114 LEU CB   1 18493 1 
      509 . 1 1 115 115 PRO CA  C 13  61.148 0.061 . 1 . . . A 115 PRO CA   2 18493 1 
      510 . 1 1 115 115 PRO CB  C 13  30.280 0.008 . 1 . . . A 115 PRO CB   2 18493 1 
      511 . 1 1 115 115 PRO CG  C 13  26.706 0.066 . 1 . . . A 115 PRO CG   2 18493 1 
      512 . 1 1 115 115 PRO CD  C 13  49.865 0.001 . 1 . . . A 115 PRO CD   2 18493 1 
      513 . 1 1 116 116 LEU C   C 13 178.163 0.059 . 1 . . . A 116 LEU C    3 18493 1 
      514 . 1 1 116 116 LEU CA  C 13  58.746 0.037 . 1 . . . A 116 LEU CA   2 18493 1 
      515 . 1 1 116 116 LEU CB  C 13  42.932 0.300 . 1 . . . A 116 LEU CB   1 18493 1 
      516 . 1 1 116 116 LEU CG  C 13  26.521 0.300 . 1 . . . A 116 LEU CG   1 18493 1 
      517 . 1 1 117 117 ASP C   C 13 177.528 0.082 . 1 . . . A 117 ASP C    2 18493 1 
      518 . 1 1 117 117 ASP CB  C 13  41.252 0.054 . 1 . . . A 117 ASP CB   2 18493 1 
      519 . 1 1 117 117 ASP N   N 15 116.302 0.080 . 1 . . . A 117 ASP N    3 18493 1 
      520 . 1 1 118 118 LYS H   H  1   7.538 0.036 . 1 . . . A 118 LYS H    3 18493 1 
      521 . 1 1 118 118 LYS CD  C 13  27.953 0.098 . 1 . . . A 118 LYS CD   2 18493 1 
      522 . 1 1 118 118 LYS N   N 15 118.983 0.119 . 1 . . . A 118 LYS N    4 18493 1 
      523 . 1 1 119 119 TRP C   C 13 177.867 0.300 . 1 . . . A 119 TRP C    1 18493 1 
      524 . 1 1 120 120 VAL H   H  1   8.936 0.019 . 1 . . . A 120 VAL H    2 18493 1 
      525 . 1 1 120 120 VAL CA  C 13  58.651 0.114 . 1 . . . A 120 VAL CA   7 18493 1 
      526 . 1 1 120 120 VAL CB  C 13  31.821 0.110 . 1 . . . A 120 VAL CB   4 18493 1 
      527 . 1 1 120 120 VAL CG2 C 13  20.697 0.300 . 2 . . . A 120 VAL CG2  1 18493 1 
      528 . 1 1 120 120 VAL N   N 15 113.149 0.024 . 1 . . . A 120 VAL N    2 18493 1 
      529 . 1 1 121 121 PRO C   C 13 178.888 0.300 . 1 . . . A 121 PRO C    1 18493 1 
      530 . 1 1 121 121 PRO CA  C 13  65.185 0.015 . 1 . . . A 121 PRO CA   3 18493 1 
      531 . 1 1 121 121 PRO CB  C 13  31.781 0.162 . 1 . . . A 121 PRO CB   4 18493 1 
      532 . 1 1 121 121 PRO CG  C 13  27.660 0.300 . 1 . . . A 121 PRO CG   1 18493 1 
      533 . 1 1 121 121 PRO CD  C 13  50.590 0.079 . 1 . . . A 121 PRO CD   8 18493 1 
      534 . 1 1 122 122 GLN H   H  1   9.809 0.005 . 1 . . . A 122 GLN H    2 18493 1 
      535 . 1 1 122 122 GLN C   C 13 174.326 0.300 . 1 . . . A 122 GLN C    1 18493 1 
      536 . 1 1 122 122 GLN CA  C 13  58.463 0.300 . 1 . . . A 122 GLN CA   1 18493 1 
      537 . 1 1 122 122 GLN N   N 15 116.304 0.039 . 1 . . . A 122 GLN N    2 18493 1 
      538 . 1 1 123 123 VAL H   H  1   8.219 0.004 . 1 . . . A 123 VAL H    2 18493 1 
      539 . 1 1 123 123 VAL C   C 13 175.777 0.065 . 1 . . . A 123 VAL C    2 18493 1 
      540 . 1 1 123 123 VAL CA  C 13  61.689 0.292 . 1 . . . A 123 VAL CA   8 18493 1 
      541 . 1 1 123 123 VAL CB  C 13  35.373 0.087 . 1 . . . A 123 VAL CB   4 18493 1 
      542 . 1 1 123 123 VAL CG2 C 13  21.181 0.300 . 2 . . . A 123 VAL CG2  1 18493 1 
      543 . 1 1 123 123 VAL N   N 15 113.254 0.054 . 1 . . . A 123 VAL N    3 18493 1 
      544 . 1 1 124 124 PHE C   C 13 172.759 0.249 . 1 . . . A 124 PHE C    4 18493 1 
      545 . 1 1 124 124 PHE CB  C 13  39.318 0.300 . 1 . . . A 124 PHE CB   1 18493 1 
      546 . 1 1 124 124 PHE N   N 15 112.242 0.017 . 1 . . . A 124 PHE N    2 18493 1 
      547 . 1 1 125 125 VAL H   H  1   7.799 0.022 . 1 . . . A 125 VAL H    3 18493 1 
      548 . 1 1 125 125 VAL C   C 13 177.034 0.300 . 1 . . . A 125 VAL C    1 18493 1 
      549 . 1 1 125 125 VAL CA  C 13  61.950 0.164 . 1 . . . A 125 VAL CA   7 18493 1 
      550 . 1 1 125 125 VAL CB  C 13  33.376 0.164 . 1 . . . A 125 VAL CB   2 18493 1 
      551 . 1 1 125 125 VAL CG1 C 13  24.379 0.300 . 2 . . . A 125 VAL CG1  1 18493 1 
      552 . 1 1 125 125 VAL CG2 C 13  21.389 0.300 . 2 . . . A 125 VAL CG2  1 18493 1 
      553 . 1 1 125 125 VAL N   N 15 115.233 0.352 . 1 . . . A 125 VAL N    7 18493 1 
      554 . 1 1 126 126 ALA H   H  1   9.014 0.030 . 1 . . . A 126 ALA H    3 18493 1 
      555 . 1 1 126 126 ALA C   C 13 175.920 0.300 . 1 . . . A 126 ALA C    1 18493 1 
      556 . 1 1 126 126 ALA CA  C 13  54.493 0.067 . 1 . . . A 126 ALA CA   8 18493 1 
      557 . 1 1 126 126 ALA CB  C 13  17.215 0.018 . 1 . . . A 126 ALA CB   6 18493 1 
      558 . 1 1 126 126 ALA N   N 15 130.709 0.039 . 1 . . . A 126 ALA N    4 18493 1 
      559 . 1 1 127 127 SER H   H  1   8.145 0.026 . 1 . . . A 127 SER H    2 18493 1 
      560 . 1 1 127 127 SER CA  C 13  58.101 0.300 . 1 . . . A 127 SER CA   1 18493 1 
      561 . 1 1 127 127 SER CB  C 13  64.539 0.300 . 1 . . . A 127 SER CB   1 18493 1 
      562 . 1 1 127 127 SER N   N 15 112.716 0.005 . 1 . . . A 127 SER N    2 18493 1 
      563 . 1 1 128 128 GLY H   H  1   8.595 0.058 . 1 . . . A 128 GLY H    2 18493 1 
      564 . 1 1 128 128 GLY C   C 13 177.047 0.300 . 1 . . . A 128 GLY C    1 18493 1 
      565 . 1 1 128 128 GLY CA  C 13  46.296 0.123 . 1 . . . A 128 GLY CA   2 18493 1 
      566 . 1 1 128 128 GLY N   N 15 106.487 0.017 . 1 . . . A 128 GLY N    2 18493 1 
      567 . 1 1 129 129 ASP C   C 13 177.916 0.300 . 1 . . . A 129 ASP C    1 18493 1 
      568 . 1 1 129 129 ASP CB  C 13  43.975 0.134 . 1 . . . A 129 ASP CB   2 18493 1 
      569 . 1 1 130 130 CYS H   H  1   9.948 0.003 . 1 . . . A 130 CYS H    2 18493 1 
      570 . 1 1 130 130 CYS C   C 13 173.312 0.300 . 1 . . . A 130 CYS C    1 18493 1 
      571 . 1 1 130 130 CYS CA  C 13  64.581 0.074 . 1 . . . A 130 CYS CA   2 18493 1 
      572 . 1 1 130 130 CYS CB  C 13  42.879 0.043 . 1 . . . A 130 CYS CB   2 18493 1 
      573 . 1 1 130 130 CYS N   N 15 122.984 0.016 . 1 . . . A 130 CYS N    2 18493 1 
      574 . 1 1 131 131 ALA H   H  1   9.869 0.029 . 1 . . . A 131 ALA H    2 18493 1 
      575 . 1 1 131 131 ALA CA  C 13  52.640 0.300 . 1 . . . A 131 ALA CA   1 18493 1 
      576 . 1 1 131 131 ALA CB  C 13  18.497 0.300 . 1 . . . A 131 ALA CB   1 18493 1 
      577 . 1 1 131 131 ALA N   N 15 121.534 0.128 . 1 . . . A 131 ALA N    2 18493 1 
      578 . 1 1 136 136 ASP C   C 13 172.916 0.300 . 1 . . . A 136 ASP C    1 18493 1 
      579 . 1 1 137 137 PHE H   H  1   8.959 0.005 . 1 . . . A 137 PHE H    2 18493 1 
      580 . 1 1 137 137 PHE CA  C 13  57.310 0.300 . 1 . . . A 137 PHE CA   1 18493 1 
      581 . 1 1 137 137 PHE CB  C 13  42.927 0.300 . 1 . . . A 137 PHE CB   1 18493 1 
      582 . 1 1 137 137 PHE N   N 15 117.677 0.047 . 1 . . . A 137 PHE N    2 18493 1 
      583 . 1 1 138 138 LEU CB  C 13  43.547 0.300 . 1 . . . A 138 LEU CB   1 18493 1 
      584 . 1 1 139 139 GLY C   C 13 176.262 0.300 . 1 . . . A 139 GLY C    1 18493 1 
      585 . 1 1 139 139 GLY CA  C 13  46.123 0.300 . 1 . . . A 139 GLY CA   1 18493 1 
      586 . 1 1 140 140 LEU CB  C 13  40.503 0.012 . 1 . . . A 140 LEU CB   2 18493 1 
      587 . 1 1 140 140 LEU N   N 15 124.207 0.300 . 1 . . . A 140 LEU N    1 18493 1 
      588 . 1 1 142 142 MET CA  C 13  56.442 0.300 . 1 . . . A 142 MET CA   1 18493 1 
      589 . 1 1 143 143 PRO CA  C 13  63.254 0.300 . 1 . . . A 143 PRO CA   1 18493 1 
      590 . 1 1 143 143 PRO CD  C 13  51.480 0.002 . 1 . . . A 143 PRO CD   2 18493 1 
      591 . 1 1 144 144 GLN C   C 13 177.307 0.300 . 1 . . . A 144 GLN C    1 18493 1 
      592 . 1 1 145 145 TRP H   H  1   8.386 0.037 . 1 . . . A 145 TRP H    2 18493 1 
      593 . 1 1 145 145 TRP C   C 13 178.709 0.579 . 1 . . . A 145 TRP C    4 18493 1 
      594 . 1 1 145 145 TRP CA  C 13  59.535 0.203 . 1 . . . A 145 TRP CA   2 18493 1 
      595 . 1 1 145 145 TRP CB  C 13  29.345 0.087 . 1 . . . A 145 TRP CB   4 18493 1 
      596 . 1 1 145 145 TRP N   N 15 120.795 0.006 . 1 . . . A 145 TRP N    2 18493 1 
      597 . 1 1 146 146 LEU H   H  1   9.033 0.008 . 1 . . . A 146 LEU H    3 18493 1 
      598 . 1 1 146 146 LEU C   C 13 177.115 0.169 . 1 . . . A 146 LEU C    9 18493 1 
      599 . 1 1 146 146 LEU CA  C 13  57.793 0.385 . 1 . . . A 146 LEU CA   9 18493 1 
      600 . 1 1 146 146 LEU CB  C 13  41.616 0.072 . 1 . . . A 146 LEU CB   3 18493 1 
      601 . 1 1 146 146 LEU CG  C 13  26.151 0.009 . 1 . . . A 146 LEU CG   2 18493 1 
      602 . 1 1 146 146 LEU CD1 C 13  22.670 0.300 . 2 . . . A 146 LEU CD1  1 18493 1 
      603 . 1 1 146 146 LEU CD2 C 13  22.670 0.300 . 2 . . . A 146 LEU CD2  1 18493 1 
      604 . 1 1 146 146 LEU N   N 15 118.336 0.119 . 1 . . . A 146 LEU N   12 18493 1 
      605 . 1 1 147 147 LEU H   H  1   8.480 0.032 . 1 . . . A 147 LEU H    3 18493 1 
      606 . 1 1 147 147 LEU C   C 13 178.787 0.168 . 1 . . . A 147 LEU C   10 18493 1 
      607 . 1 1 147 147 LEU CA  C 13  58.052 0.132 . 1 . . . A 147 LEU CA  14 18493 1 
      608 . 1 1 147 147 LEU CB  C 13  41.047 0.213 . 1 . . . A 147 LEU CB   5 18493 1 
      609 . 1 1 147 147 LEU CG  C 13  27.480 0.266 . 1 . . . A 147 LEU CG   5 18493 1 
      610 . 1 1 147 147 LEU CD1 C 13  24.363 0.026 . 2 . . . A 147 LEU CD1  2 18493 1 
      611 . 1 1 147 147 LEU CD2 C 13  22.324 0.300 . 2 . . . A 147 LEU CD2  1 18493 1 
      612 . 1 1 147 147 LEU N   N 15 123.772 0.148 . 1 . . . A 147 LEU N   19 18493 1 
      613 . 1 1 148 148 GLY C   C 13 174.667 0.213 . 1 . . . A 148 GLY C    9 18493 1 
      614 . 1 1 148 148 GLY CA  C 13  48.102 0.256 . 1 . . . A 148 GLY CA  22 18493 1 
      615 . 1 1 148 148 GLY N   N 15 104.457 0.229 . 1 . . . A 148 GLY N   13 18493 1 
      616 . 1 1 149 149 ILE C   C 13 177.725 0.126 . 1 . . . A 149 ILE C    8 18493 1 
      617 . 1 1 149 149 ILE CA  C 13  65.997 0.108 . 1 . . . A 149 ILE CA  54 18493 1 
      618 . 1 1 149 149 ILE CB  C 13  38.262 0.126 . 1 . . . A 149 ILE CB  33 18493 1 
      619 . 1 1 149 149 ILE CG1 C 13  30.092 0.146 . 1 . . . A 149 ILE CG1 25 18493 1 
      620 . 1 1 149 149 ILE CG2 C 13  18.028 0.134 . 1 . . . A 149 ILE CG2 33 18493 1 
      621 . 1 1 149 149 ILE CD1 C 13  14.653 0.089 . 1 . . . A 149 ILE CD1 35 18493 1 
      622 . 1 1 149 149 ILE N   N 15 121.815 0.134 . 1 . . . A 149 ILE N   14 18493 1 
      623 . 1 1 150 150 PHE C   C 13 178.929 0.079 . 1 . . . A 150 PHE C    6 18493 1 
      624 . 1 1 150 150 PHE CA  C 13  63.591 0.298 . 1 . . . A 150 PHE CA   9 18493 1 
      625 . 1 1 150 150 PHE CB  C 13  38.417 0.314 . 1 . . . A 150 PHE CB   8 18493 1 
      626 . 1 1 150 150 PHE N   N 15 118.894 0.361 . 1 . . . A 150 PHE N    9 18493 1 
      627 . 1 1 151 151 ILE C   C 13 177.347 0.160 . 1 . . . A 151 ILE C   15 18493 1 
      628 . 1 1 151 151 ILE CA  C 13  66.478 0.132 . 1 . . . A 151 ILE CA  21 18493 1 
      629 . 1 1 151 151 ILE CB  C 13  37.302 0.117 . 1 . . . A 151 ILE CB  15 18493 1 
      630 . 1 1 151 151 ILE CG1 C 13  30.856 0.230 . 1 . . . A 151 ILE CG1  5 18493 1 
      631 . 1 1 151 151 ILE CG2 C 13  17.909 0.177 . 1 . . . A 151 ILE CG2 13 18493 1 
      632 . 1 1 151 151 ILE CD1 C 13  14.457 0.178 . 1 . . . A 151 ILE CD1  9 18493 1 
      633 . 1 1 151 151 ILE N   N 15 120.535 0.091 . 1 . . . A 151 ILE N    5 18493 1 
      634 . 1 1 152 152 ALA C   C 13 179.165 0.094 . 1 . . . A 152 ALA C    8 18493 1 
      635 . 1 1 152 152 ALA CA  C 13  56.272 0.115 . 1 . . . A 152 ALA CA  17 18493 1 
      636 . 1 1 152 152 ALA CB  C 13  17.993 0.103 . 1 . . . A 152 ALA CB  13 18493 1 
      637 . 1 1 152 152 ALA N   N 15 122.855 0.199 . 1 . . . A 152 ALA N   17 18493 1 
      638 . 1 1 153 153 TYR H   H  1   8.680 0.007 . 1 . . . A 153 TYR H    2 18493 1 
      639 . 1 1 153 153 TYR C   C 13 179.682 0.090 . 1 . . . A 153 TYR C    5 18493 1 
      640 . 1 1 153 153 TYR CA  C 13  64.391 0.144 . 1 . . . A 153 TYR CA   9 18493 1 
      641 . 1 1 153 153 TYR CB  C 13  39.553 0.044 . 1 . . . A 153 TYR CB   3 18493 1 
      642 . 1 1 153 153 TYR N   N 15 116.156 0.294 . 1 . . . A 153 TYR N   11 18493 1 
      643 . 1 1 154 154 LEU C   C 13 177.336 0.292 . 1 . . . A 154 LEU C   12 18493 1 
      644 . 1 1 154 154 LEU CA  C 13  57.905 0.125 . 1 . . . A 154 LEU CA   7 18493 1 
      645 . 1 1 154 154 LEU CB  C 13  42.009 0.114 . 1 . . . A 154 LEU CB   6 18493 1 
      646 . 1 1 154 154 LEU CG  C 13  27.063 0.030 . 1 . . . A 154 LEU CG   2 18493 1 
      647 . 1 1 154 154 LEU CD1 C 13  23.943 0.300 . 2 . . . A 154 LEU CD1  1 18493 1 
      648 . 1 1 154 154 LEU CD2 C 13  22.797 0.300 . 2 . . . A 154 LEU CD2  1 18493 1 
      649 . 1 1 154 154 LEU N   N 15 122.327 0.136 . 1 . . . A 154 LEU N    6 18493 1 
      650 . 1 1 155 155 ILE C   C 13 177.589 0.123 . 1 . . . A 155 ILE C    8 18493 1 
      651 . 1 1 155 155 ILE CA  C 13  65.996 0.180 . 1 . . . A 155 ILE CA  19 18493 1 
      652 . 1 1 155 155 ILE CB  C 13  38.179 0.112 . 1 . . . A 155 ILE CB   9 18493 1 
      653 . 1 1 155 155 ILE CG1 C 13  31.527 0.034 . 1 . . . A 155 ILE CG1  2 18493 1 
      654 . 1 1 155 155 ILE CG2 C 13  17.923 0.076 . 1 . . . A 155 ILE CG2  8 18493 1 
      655 . 1 1 155 155 ILE CD1 C 13  14.649 0.300 . 1 . . . A 155 ILE CD1  1 18493 1 
      656 . 1 1 155 155 ILE N   N 15 119.079 0.131 . 1 . . . A 155 ILE N   15 18493 1 
      657 . 1 1 156 156 VAL C   C 13 176.163 0.083 . 1 . . . A 156 VAL C   15 18493 1 
      658 . 1 1 156 156 VAL CA  C 13  67.664 0.259 . 1 . . . A 156 VAL CA  16 18493 1 
      659 . 1 1 156 156 VAL CB  C 13  31.694 0.103 . 1 . . . A 156 VAL CB   6 18493 1 
      660 . 1 1 156 156 VAL CG1 C 13  23.147 0.045 . 2 . . . A 156 VAL CG1  4 18493 1 
      661 . 1 1 156 156 VAL CG2 C 13  24.386 0.096 . 2 . . . A 156 VAL CG2  2 18493 1 
      662 . 1 1 156 156 VAL N   N 15 117.551 0.129 . 1 . . . A 156 VAL N   15 18493 1 
      663 . 1 1 157 157 ALA C   C 13 179.076 0.203 . 1 . . . A 157 ALA C   13 18493 1 
      664 . 1 1 157 157 ALA CA  C 13  54.803 0.135 . 1 . . . A 157 ALA CA  25 18493 1 
      665 . 1 1 157 157 ALA CB  C 13  16.120 0.235 . 1 . . . A 157 ALA CB  26 18493 1 
      666 . 1 1 157 157 ALA N   N 15 122.470 0.107 . 1 . . . A 157 ALA N   18 18493 1 
      667 . 1 1 158 158 VAL C   C 13 177.491 0.045 . 1 . . . A 158 VAL C    3 18493 1 
      668 . 1 1 158 158 VAL CA  C 13  67.160 0.189 . 1 . . . A 158 VAL CA  33 18493 1 
      669 . 1 1 158 158 VAL CB  C 13  31.331 0.082 . 1 . . . A 158 VAL CB  16 18493 1 
      670 . 1 1 158 158 VAL CG1 C 13  23.576 0.075 . 2 . . . A 158 VAL CG1 12 18493 1 
      671 . 1 1 158 158 VAL CG2 C 13  21.967 0.129 . 2 . . . A 158 VAL CG2  9 18493 1 
      672 . 1 1 158 158 VAL N   N 15 116.045 0.145 . 1 . . . A 158 VAL N   19 18493 1 
      673 . 1 1 159 159 LEU C   C 13 178.312 0.157 . 1 . . . A 159 LEU C    8 18493 1 
      674 . 1 1 159 159 LEU CA  C 13  57.443 0.243 . 1 . . . A 159 LEU CA  11 18493 1 
      675 . 1 1 159 159 LEU CB  C 13  41.567 0.272 . 1 . . . A 159 LEU CB  13 18493 1 
      676 . 1 1 159 159 LEU CG  C 13  26.578 0.379 . 1 . . . A 159 LEU CG   4 18493 1 
      677 . 1 1 159 159 LEU CD1 C 13  22.883 0.300 . 2 . . . A 159 LEU CD1  1 18493 1 
      678 . 1 1 159 159 LEU CD2 C 13  22.883 0.300 . 2 . . . A 159 LEU CD2  1 18493 1 
      679 . 1 1 159 159 LEU N   N 15 116.776 0.142 . 1 . . . A 159 LEU N    8 18493 1 
      680 . 1 1 160 160 VAL C   C 13 177.508 0.079 . 1 . . . A 160 VAL C    3 18493 1 
      681 . 1 1 160 160 VAL CA  C 13  67.366 0.181 . 1 . . . A 160 VAL CA  15 18493 1 
      682 . 1 1 160 160 VAL CB  C 13  31.106 0.253 . 1 . . . A 160 VAL CB   4 18493 1 
      683 . 1 1 160 160 VAL CG1 C 13  23.638 0.193 . 2 . . . A 160 VAL CG1  4 18493 1 
      684 . 1 1 160 160 VAL CG2 C 13  21.784 0.300 . 2 . . . A 160 VAL CG2  1 18493 1 
      685 . 1 1 160 160 VAL N   N 15 118.890 0.153 . 1 . . . A 160 VAL N   14 18493 1 
      686 . 1 1 161 161 VAL C   C 13 176.607 0.060 . 1 . . . A 161 VAL C    2 18493 1 
      687 . 1 1 161 161 VAL CA  C 13  67.614 0.156 . 1 . . . A 161 VAL CA  12 18493 1 
      688 . 1 1 161 161 VAL CB  C 13  31.646 0.056 . 1 . . . A 161 VAL CB   3 18493 1 
      689 . 1 1 161 161 VAL CG1 C 13  23.255 0.068 . 2 . . . A 161 VAL CG1  2 18493 1 
      690 . 1 1 161 161 VAL CG2 C 13  21.814 0.205 . 2 . . . A 161 VAL CG2  7 18493 1 
      691 . 1 1 161 161 VAL N   N 15 118.360 0.217 . 1 . . . A 161 VAL N   11 18493 1 
      692 . 1 1 162 162 ILE C   C 13 176.885 0.300 . 1 . . . A 162 ILE C    1 18493 1 
      693 . 1 1 162 162 ILE CA  C 13  63.409 0.074 . 1 . . . A 162 ILE CA   3 18493 1 
      694 . 1 1 162 162 ILE CB  C 13  39.685 0.186 . 1 . . . A 162 ILE CB   3 18493 1 
      695 . 1 1 162 162 ILE CG1 C 13  31.399 0.300 . 1 . . . A 162 ILE CG1  1 18493 1 
      696 . 1 1 162 162 ILE CG2 C 13  18.101 0.045 . 1 . . . A 162 ILE CG2  2 18493 1 
      697 . 1 1 163 163 SER H   H  1   9.427 0.022 . 1 . . . . 163 SER HN   2 18493 1 
      698 . 1 1 163 163 SER CA  C 13  60.441 0.222 . 1 . . . . 163 SER CA   2 18493 1 
      699 . 1 1 163 163 SER CB  C 13  63.788 0.300 . 1 . . . . 163 SER CB   1 18493 1 
      700 . 1 1 163 163 SER N   N 15 112.832 0.300 . 1 . . . . 163 SER N    2 18493 1 
      701 . 1 1 165 165 PRO CA  C 13  62.249 0.011 . 1 . . . . 165 PRO CA   2 18493 1 
      702 . 1 1 165 165 PRO CD  C 13  51.723 0.128 . 1 . . . . 165 PRO CD   3 18493 1 
      703 . 1 1 165 165 PRO N   N 15 134.035 0.022 . 1 . . . . 165 PRO N    3 18493 1 
      704 . 1 1 168 168 ALA CA  C 13  51.195 0.007 . 1 . . . . 168 ALA CA   6 18493 1 
      705 . 1 1 168 168 ALA CB  C 13  18.891 0.003 . 1 . . . . 168 ALA CB   6 18493 1 
      706 . 4 4   1   1 UQ1 C1  C 13 135.534 0.060 . 1 . . . . 501 UQ8 C1   4 18493 1 
      707 . 4 4   1   1 UQ1 C10 C 13  20.609 0.118 . 4 . . . . 501 UQ8 C10  7 18493 1 
      708 . 4 4   1   1 UQ1 C11 C 13  43.400 0.643 . 4 . . . . 501 UQ8 C11  9 18493 1 
      709 . 4 4   1   1 UQ1 C12 C 13  30.300 0.643 . 4 . . . . 501 UQ8 C12  9 18493 1 
      710 . 4 4   1   1 UQ1 C15 C 13  20.700 0.643 . 4 . . . . 501 UQ8 C15  9 18493 1 
      711 . 4 4   1   1 UQ1 C16 C 13  43.000 0.643 . 4 . . . . 501 UQ8 C16  9 18493 1 
      712 . 4 4   1   1 UQ1 C17 C 13  29.800 0.643 . 4 . . . . 501 UQ8 C17  9 18493 1 
      713 . 4 4   1   1 UQ1 C1M C 13  15.859 0.061 . 4 . . . . 501 UQ8 C1M  5 18493 1 
      714 . 4 4   1   1 UQ1 C2  C 13 154.709 0.300 . 1 . . . . 501 UQ8 C2   1 18493 1 
      715 . 4 4   1   1 UQ1 C20 C 13  20.200 0.643 . 4 . . . . 501 UQ8 C20  9 18493 1 
      716 . 4 4   1   1 UQ1 C21 C 13  42.600 0.643 . 4 . . . . 501 UQ8 C21  9 18493 1 
      717 . 4 4   1   1 UQ1 C22 C 13  29.300 0.643 . 4 . . . . 501 UQ8 C22  9 18493 1 
      718 . 4 4   1   1 UQ1 C25 C 13  19.700 0.643 . 4 . . . . 501 UQ8 C25  9 18493 1 
      719 . 4 4   1   1 UQ1 C26 C 13  42.200 0.643 . 4 . . . . 501 UQ8 C26  9 18493 1 
      720 . 4 4   1   1 UQ1 C27 C 13  28.800 0.643 . 4 . . . . 501 UQ8 C27  9 18493 1 
      721 . 4 4   1   1 UQ1 C3  C 13 142.410 0.300 . 4 . . . . 501 UQ8 C3   1 18493 1 
      722 . 4 4   1   1 UQ1 C30 C 13  19.200 0.643 . 4 . . . . 501 UQ8 C30  9 18493 1 
      723 . 4 4   1   1 UQ1 C31 C 13  41.800 0.643 . 4 . . . . 501 UQ8 C31  9 18493 1 
      724 . 4 4   1   1 UQ1 C32 C 13  28.300 0.643 . 4 . . . . 501 UQ8 C32  9 18493 1 
      725 . 4 4   1   1 UQ1 C35 C 13  18.700 0.643 . 4 . . . . 501 UQ8 C35  9 18493 1 
      726 . 4 4   1   1 UQ1 C36 C 13  41.400 0.643 . 4 . . . . 501 UQ8 C36  9 18493 1 
      727 . 4 4   1   1 UQ1 C37 C 13  27.800 0.643 . 4 . . . . 501 UQ8 C37  9 18493 1 
      728 . 4 4   1   1 UQ1 C38 C 13 124.750 0.300 . 4 . . . . 501 UQ8 C38  1 18493 1 
      729 . 4 4   1   1 UQ1 C39 C 13 136.254 0.051 . 4 . . . . 501 UQ8 C39  2 18493 1 
      730 . 4 4   1   1 UQ1 C3M C 13  63.804 0.193 . 4 . . . . 501 UQ8 C3M  2 18493 1 
      731 . 4 4   1   1 UQ1 C4  C 13 142.410 0.300 . 1 . . . . 501 UQ8 C4   1 18493 1 
      732 . 4 4   1   1 UQ1 C40 C 13  18.200 0.643 . 4 . . . . 501 UQ8 C40  9 18493 1 
      733 . 4 4   1   1 UQ1 C41 C 13  41.517 0.095 . 4 . . . . 501 UQ8 C41  3 18493 1 
      734 . 4 4   1   1 UQ1 C42 C 13  28.260 0.020 . 4 . . . . 501 UQ8 C42  2 18493 1 
      735 . 4 4   1   1 UQ1 C43 C 13 126.157 0.271 . 4 . . . . 501 UQ8 C43  6 18493 1 
      736 . 4 4   1   1 UQ1 C44 C 13 135.212 0.112 . 4 . . . . 501 UQ8 C44  8 18493 1 
      737 . 4 4   1   1 UQ1 C45 C 13  17.920 0.069 . 4 . . . . 501 UQ8 C45  7 18493 1 
      738 . 4 4   1   1 UQ1 C46 C 13  28.177 0.074 . 4 . . . . 501 UQ8 C46  5 18493 1 
      739 . 4 4   1   1 UQ1 C4M C 13  63.804 0.193 . 4 . . . . 501 UQ8 C4M  2 18493 1 
      740 . 4 4   1   1 UQ1 C5  C 13 154.709 0.300 . 4 . . . . 501 UQ8 C5   1 18493 1 
      741 . 4 4   1   1 UQ1 C6  C 13 127.427 0.300 . 1 . . . . 501 UQ8 C6   1 18493 1 
      742 . 4 4   1   1 UQ1 C7  C 13  26.580 0.011 . 4 . . . . 501 UQ8 C7   3 18493 1 
      743 . 4 4   1   1 UQ1 C8  C 13 123.680 0.098 . 4 . . . . 501 UQ8 C8   5 18493 1 
      744 . 4 4   1   1 UQ1 C9  C 13 140.100 0.117 . 4 . . . . 501 UQ8 C9   5 18493 1 

   stop_

save_