Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"

    save_assigned_chem_shift_list_1
   _Assigned_chem_shift_list.Sf_category                   assigned_chemical_shifts
   _Assigned_chem_shift_list.Sf_framecode                  assigned_chem_shift_list_1
   _Assigned_chem_shift_list.Entry_ID                      17690
   _Assigned_chem_shift_list.ID                            1
   _Assigned_chem_shift_list.Sample_condition_list_ID      1
   _Assigned_chem_shift_list.Sample_condition_list_label  $sample_conditions_1
   _Assigned_chem_shift_list.Chem_shift_reference_ID       1
   _Assigned_chem_shift_list.Chem_shift_reference_label   $chemical_shift_reference_1
   _Assigned_chem_shift_list.Chem_shift_1H_err             .
   _Assigned_chem_shift_list.Chem_shift_13C_err            .
   _Assigned_chem_shift_list.Chem_shift_15N_err            .
   _Assigned_chem_shift_list.Chem_shift_31P_err            .
   _Assigned_chem_shift_list.Chem_shift_2H_err             .
   _Assigned_chem_shift_list.Chem_shift_19F_err            .
   _Assigned_chem_shift_list.Error_derivation_method       .
   _Assigned_chem_shift_list.Details                       .
   _Assigned_chem_shift_list.Text_data_format              .
   _Assigned_chem_shift_list.Text_data                     .

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

      1 '3D HNCA'   . . . 17690 1 
      2 '3D HNCACB' . . . 17690 1 
      4 '3D NOESY'  . . . 17690 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  2  2 ALA H    H  1   8.637 0.020 . 1 . . . A  2 ALA H    . 17690 1 
        2 . 1 1  2  2 ALA HA   H  1   4.329 0.020 . 1 . . . A  2 ALA HA   . 17690 1 
        3 . 1 1  2  2 ALA HB1  H  1   1.363 0.020 . 1 . . . A  2 ALA HB1  . 17690 1 
        4 . 1 1  2  2 ALA HB2  H  1   1.363 0.020 . 1 . . . A  2 ALA HB2  . 17690 1 
        5 . 1 1  2  2 ALA HB3  H  1   1.363 0.020 . 1 . . . A  2 ALA HB3  . 17690 1 
        6 . 1 1  2  2 ALA CA   C 13  52.379 0.3   . 1 . . . A  2 ALA CA   . 17690 1 
        7 . 1 1  2  2 ALA CB   C 13  19.051 0.3   . 1 . . . A  2 ALA CB   . 17690 1 
        8 . 1 1  2  2 ALA N    N 15 127.360 0.3   . 1 . . . A  2 ALA N    . 17690 1 
        9 . 1 1  3  3 GLU H    H  1   8.421 0.020 . 1 . . . A  3 GLU H    . 17690 1 
       10 . 1 1  3  3 GLU HA   H  1   4.217 0.020 . 1 . . . A  3 GLU HA   . 17690 1 
       11 . 1 1  3  3 GLU HB2  H  1   1.950 0.020 . 1 . . . A  3 GLU HB2  . 17690 1 
       12 . 1 1  3  3 GLU HB3  H  1   1.950 0.020 . 1 . . . A  3 GLU HB3  . 17690 1 
       13 . 1 1  3  3 GLU CA   C 13  56.479 0.3   . 1 . . . A  3 GLU CA   . 17690 1 
       14 . 1 1  3  3 GLU CB   C 13  30.019 0.3   . 1 . . . A  3 GLU CB   . 17690 1 
       15 . 1 1  3  3 GLU CG   C 13  35.609 0.3   . 1 . . . A  3 GLU CG   . 17690 1 
       16 . 1 1  3  3 GLU N    N 15 121.660 0.3   . 1 . . . A  3 GLU N    . 17690 1 
       17 . 1 1  4  4 ALA H    H  1   8.306 0.020 . 1 . . . A  4 ALA H    . 17690 1 
       18 . 1 1  4  4 ALA HA   H  1   4.262 0.020 . 1 . . . A  4 ALA HA   . 17690 1 
       19 . 1 1  4  4 ALA HB1  H  1   1.301 0.020 . 1 . . . A  4 ALA HB1  . 17690 1 
       20 . 1 1  4  4 ALA HB2  H  1   1.301 0.020 . 1 . . . A  4 ALA HB2  . 17690 1 
       21 . 1 1  4  4 ALA HB3  H  1   1.301 0.020 . 1 . . . A  4 ALA HB3  . 17690 1 
       22 . 1 1  4  4 ALA CA   C 13  52.220 0.3   . 1 . . . A  4 ALA CA   . 17690 1 
       23 . 1 1  4  4 ALA CB   C 13  19.104 0.3   . 1 . . . A  4 ALA CB   . 17690 1 
       24 . 1 1  4  4 ALA N    N 15 125.777 0.3   . 1 . . . A  4 ALA N    . 17690 1 
       25 . 1 1  5  5 HIS H    H  1   8.431 0.020 . 1 . . . A  5 HIS H    . 17690 1 
       26 . 1 1  5  5 HIS HA   H  1   4.706 0.020 . 1 . . . A  5 HIS HA   . 17690 1 
       27 . 1 1  5  5 HIS HB2  H  1   3.162 0.020 . 1 . . . A  5 HIS HB2  . 17690 1 
       28 . 1 1  5  5 HIS HB3  H  1   3.162 0.020 . 1 . . . A  5 HIS HB3  . 17690 1 
       29 . 1 1  5  5 HIS CA   C 13  54.669 0.3   . 1 . . . A  5 HIS CA   . 17690 1 
       30 . 1 1  5  5 HIS CB   C 13  28.847 0.3   . 1 . . . A  5 HIS CB   . 17690 1 
       31 . 1 1  5  5 HIS N    N 15 118.168 0.3   . 1 . . . A  5 HIS N    . 17690 1 
       32 . 1 1  6  6 GLN H    H  1   8.337 0.020 . 1 . . . A  6 GLN H    . 17690 1 
       33 . 1 1  6  6 GLN HA   H  1   4.339 0.020 . 1 . . . A  6 GLN HA   . 17690 1 
       34 . 1 1  6  6 GLN HB2  H  1   1.936 0.020 . 1 . . . A  6 GLN HB2  . 17690 1 
       35 . 1 1  6  6 GLN HB3  H  1   1.936 0.020 . 1 . . . A  6 GLN HB3  . 17690 1 
       36 . 1 1  6  6 GLN CA   C 13  55.734 0.3   . 1 . . . A  6 GLN CA   . 17690 1 
       37 . 1 1  6  6 GLN CB   C 13  29.593 0.3   . 1 . . . A  6 GLN CB   . 17690 1 
       38 . 1 1  6  6 GLN CG   C 13  33.639 0.3   . 1 . . . A  6 GLN CG   . 17690 1 
       39 . 1 1  6  6 GLN N    N 15 122.323 0.3   . 1 . . . A  6 GLN N    . 17690 1 
       40 . 1 1  7  7 ALA H    H  1   8.374 0.020 . 1 . . . A  7 ALA H    . 17690 1 
       41 . 1 1  7  7 ALA HA   H  1   4.349 0.020 . 1 . . . A  7 ALA HA   . 17690 1 
       42 . 1 1  7  7 ALA HB1  H  1   1.368 0.020 . 1 . . . A  7 ALA HB1  . 17690 1 
       43 . 1 1  7  7 ALA HB2  H  1   1.368 0.020 . 1 . . . A  7 ALA HB2  . 17690 1 
       44 . 1 1  7  7 ALA HB3  H  1   1.368 0.020 . 1 . . . A  7 ALA HB3  . 17690 1 
       45 . 1 1  7  7 ALA CA   C 13  52.060 0.3   . 1 . . . A  7 ALA CA   . 17690 1 
       46 . 1 1  7  7 ALA CB   C 13  19.264 0.3   . 1 . . . A  7 ALA CB   . 17690 1 
       47 . 1 1  7  7 ALA N    N 15 126.205 0.3   . 1 . . . A  7 ALA N    . 17690 1 
       48 . 1 1  8  8 VAL H    H  1   8.200 0.020 . 1 . . . A  8 VAL H    . 17690 1 
       49 . 1 1  8  8 VAL HA   H  1   3.965 0.020 . 1 . . . A  8 VAL HA   . 17690 1 
       50 . 1 1  8  8 VAL HB   H  1   2.047 0.020 . 1 . . . A  8 VAL HB   . 17690 1 
       51 . 1 1  8  8 VAL CA   C 13  62.176 0.3   . 1 . . . A  8 VAL CA   . 17690 1 
       52 . 1 1  8  8 VAL CB   C 13  32.308 0.3   . 1 . . . A  8 VAL CB   . 17690 1 
       53 . 1 1  8  8 VAL CG1  C 13  20.914 0.3   . 1 . . . A  8 VAL CG1  . 17690 1 
       54 . 1 1  8  8 VAL N    N 15 121.228 0.3   . 1 . . . A  8 VAL N    . 17690 1 
       55 . 1 1  9  9 ALA H    H  1   8.324 0.020 . 1 . . . A  9 ALA H    . 17690 1 
       56 . 1 1  9  9 ALA HA   H  1   4.412 0.020 . 1 . . . A  9 ALA HA   . 17690 1 
       57 . 1 1  9  9 ALA HB1  H  1   1.496 0.020 . 1 . . . A  9 ALA HB1  . 17690 1 
       58 . 1 1  9  9 ALA HB2  H  1   1.496 0.020 . 1 . . . A  9 ALA HB2  . 17690 1 
       59 . 1 1  9  9 ALA HB3  H  1   1.496 0.020 . 1 . . . A  9 ALA HB3  . 17690 1 
       60 . 1 1  9  9 ALA CA   C 13  53.338 0.3   . 1 . . . A  9 ALA CA   . 17690 1 
       61 . 1 1  9  9 ALA CB   C 13  20.225 0.3   . 1 . . . A  9 ALA CB   . 17690 1 
       62 . 1 1  9  9 ALA N    N 15 128.767 0.3   . 1 . . . A  9 ALA N    . 17690 1 
       63 . 1 1 10 10 PHE H    H  1   7.578 0.020 . 1 . . . A 10 PHE H    . 17690 1 
       64 . 1 1 10 10 PHE HA   H  1   5.385 0.020 . 1 . . . A 10 PHE HA   . 17690 1 
       65 . 1 1 10 10 PHE HB2  H  1   3.002 0.020 . 1 . . . A 10 PHE HB2  . 17690 1 
       66 . 1 1 10 10 PHE HB3  H  1   3.002 0.020 . 1 . . . A 10 PHE HB3  . 17690 1 
       67 . 1 1 10 10 PHE CA   C 13  55.893 0.3   . 1 . . . A 10 PHE CA   . 17690 1 
       68 . 1 1 10 10 PHE CB   C 13  41.944 0.3   . 1 . . . A 10 PHE CB   . 17690 1 
       69 . 1 1 10 10 PHE N    N 15 115.148 0.3   . 1 . . . A 10 PHE N    . 17690 1 
       70 . 1 1 11 11 GLN H    H  1   8.653 0.020 . 1 . . . A 11 GLN H    . 17690 1 
       71 . 1 1 11 11 GLN HA   H  1   4.454 0.020 . 1 . . . A 11 GLN HA   . 17690 1 
       72 . 1 1 11 11 GLN HB2  H  1   1.877 0.020 . 1 . . . A 11 GLN HB2  . 17690 1 
       73 . 1 1 11 11 GLN HB3  H  1   1.877 0.020 . 1 . . . A 11 GLN HB3  . 17690 1 
       74 . 1 1 11 11 GLN CA   C 13  55.308 0.3   . 1 . . . A 11 GLN CA   . 17690 1 
       75 . 1 1 11 11 GLN CB   C 13  31.771 0.3   . 1 . . . A 11 GLN CB   . 17690 1 
       76 . 1 1 11 11 GLN CG   C 13  33.799 0.3   . 1 . . . A 11 GLN CG   . 17690 1 
       77 . 1 1 11 11 GLN N    N 15 123.516 0.3   . 1 . . . A 11 GLN N    . 17690 1 
       78 . 1 1 12 12 PHE H    H  1   8.769 0.020 . 1 . . . A 12 PHE H    . 17690 1 
       79 . 1 1 12 12 PHE HA   H  1   5.581 0.020 . 1 . . . A 12 PHE HA   . 17690 1 
       80 . 1 1 12 12 PHE HB2  H  1   2.993 0.020 . 1 . . . A 12 PHE HB2  . 17690 1 
       81 . 1 1 12 12 PHE HB3  H  1   2.993 0.020 . 1 . . . A 12 PHE HB3  . 17690 1 
       82 . 1 1 12 12 PHE HD1  H  1   7.211 0.020 . 1 . . . A 12 PHE HD1  . 17690 1 
       83 . 1 1 12 12 PHE HD2  H  1   7.211 0.020 . 1 . . . A 12 PHE HD2  . 17690 1 
       84 . 1 1 12 12 PHE CA   C 13  56.319 0.3   . 1 . . . A 12 PHE CA   . 17690 1 
       85 . 1 1 12 12 PHE CB   C 13  42.317 0.3   . 1 . . . A 12 PHE CB   . 17690 1 
       86 . 1 1 12 12 PHE N    N 15 126.845 0.3   . 1 . . . A 12 PHE N    . 17690 1 
       87 . 1 1 13 13 THR H    H  1   8.724 0.020 . 1 . . . A 13 THR H    . 17690 1 
       88 . 1 1 13 13 THR HA   H  1   4.492 0.020 . 1 . . . A 13 THR HA   . 17690 1 
       89 . 1 1 13 13 THR HB   H  1   3.902 0.020 . 1 . . . A 13 THR HB   . 17690 1 
       90 . 1 1 13 13 THR HG21 H  1   1.169 0.020 . 1 . . . A 13 THR HG21 . 17690 1 
       91 . 1 1 13 13 THR HG22 H  1   1.169 0.020 . 1 . . . A 13 THR HG22 . 17690 1 
       92 . 1 1 13 13 THR HG23 H  1   1.169 0.020 . 1 . . . A 13 THR HG23 . 17690 1 
       93 . 1 1 13 13 THR CA   C 13  61.111 0.3   . 1 . . . A 13 THR CA   . 17690 1 
       94 . 1 1 13 13 THR CB   C 13  71.757 0.3   . 1 . . . A 13 THR CB   . 17690 1 
       95 . 1 1 13 13 THR CG2  C 13  21.718 0.3   . 1 . . . A 13 THR CG2  . 17690 1 
       96 . 1 1 13 13 THR N    N 15 122.078 0.3   . 1 . . . A 13 THR N    . 17690 1 
       97 . 1 1 14 14 VAL H    H  1   8.573 0.020 . 1 . . . A 14 VAL H    . 17690 1 
       98 . 1 1 14 14 VAL HA   H  1   4.492 0.020 . 1 . . . A 14 VAL HA   . 17690 1 
       99 . 1 1 14 14 VAL HB   H  1   2.047 0.020 . 1 . . . A 14 VAL HB   . 17690 1 
      100 . 1 1 14 14 VAL HG11 H  1   1.102 0.020 . 1 . . . A 14 VAL HG11 . 17690 1 
      101 . 1 1 14 14 VAL HG12 H  1   1.102 0.020 . 1 . . . A 14 VAL HG12 . 17690 1 
      102 . 1 1 14 14 VAL HG13 H  1   1.102 0.020 . 1 . . . A 14 VAL HG13 . 17690 1 
      103 . 1 1 14 14 VAL HG21 H  1   1.102 0.020 . 1 . . . A 14 VAL HG21 . 17690 1 
      104 . 1 1 14 14 VAL HG22 H  1   1.102 0.020 . 1 . . . A 14 VAL HG22 . 17690 1 
      105 . 1 1 14 14 VAL HG23 H  1   1.102 0.020 . 1 . . . A 14 VAL HG23 . 17690 1 
      106 . 1 1 14 14 VAL CA   C 13  60.898 0.3   . 1 . . . A 14 VAL CA   . 17690 1 
      107 . 1 1 14 14 VAL CB   C 13  32.521 0.3   . 1 . . . A 14 VAL CB   . 17690 1 
      108 . 1 1 14 14 VAL CG1  C 13  21.500 0.3   . 1 . . . A 14 VAL CG1  . 17690 1 
      109 . 1 1 14 14 VAL N    N 15 125.702 0.3   . 1 . . . A 14 VAL N    . 17690 1 
      110 . 1 1 15 15 THR H    H  1   8.888 0.020 . 1 . . . A 15 THR H    . 17690 1 
      111 . 1 1 15 15 THR CA   C 13  58.895 0.3   . 1 . . . A 15 THR CA   . 17690 1 
      112 . 1 1 15 15 THR CB   C 13  68.453 0.3   . 1 . . . A 15 THR CB   . 17690 1 
      113 . 1 1 15 15 THR N    N 15 121.390 0.3   . 1 . . . A 15 THR N    . 17690 1 
      114 . 1 1 17 17 ASP H    H  1   7.742 0.020 . 1 . . . A 17 ASP H    . 17690 1 
      115 . 1 1 17 17 ASP HA   H  1   4.778 0.020 . 1 . . . A 17 ASP HA   . 17690 1 
      116 . 1 1 17 17 ASP HB2  H  1   2.403 0.020 . 2 . . . A 17 ASP HB2  . 17690 1 
      117 . 1 1 17 17 ASP HB3  H  1   2.613 0.020 . 2 . . . A 17 ASP HB3  . 17690 1 
      118 . 1 1 17 17 ASP CA   C 13  54.190 0.3   . 1 . . . A 17 ASP CA   . 17690 1 
      119 . 1 1 17 17 ASP CB   C 13  41.727 0.3   . 1 . . . A 17 ASP CB   . 17690 1 
      120 . 1 1 17 17 ASP N    N 15 111.883 0.3   . 1 . . . A 17 ASP N    . 17690 1 
      121 . 1 1 18 18 GLY H    H  1   7.461 0.020 . 1 . . . A 18 GLY H    . 17690 1 
      122 . 1 1 18 18 GLY HA2  H  1   4.510 0.020 . 2 . . . A 18 GLY HA2  . 17690 1 
      123 . 1 1 18 18 GLY HA3  H  1   2.777 0.020 . 2 . . . A 18 GLY HA3  . 17690 1 
      124 . 1 1 18 18 GLY CA   C 13  45.724 0.3   . 1 . . . A 18 GLY CA   . 17690 1 
      125 . 1 1 18 18 GLY N    N 15 110.771 0.3   . 1 . . . A 18 GLY N    . 17690 1 
      126 . 1 1 19 19 ILE H    H  1   8.631 0.020 . 1 . . . A 19 ILE H    . 17690 1 
      127 . 1 1 19 19 ILE HA   H  1   5.188 0.020 . 1 . . . A 19 ILE HA   . 17690 1 
      128 . 1 1 19 19 ILE HB   H  1   1.806 0.020 . 1 . . . A 19 ILE HB   . 17690 1 
      129 . 1 1 19 19 ILE HG21 H  1   1.029 0.020 . 1 . . . A 19 ILE HG21 . 17690 1 
      130 . 1 1 19 19 ILE HG22 H  1   1.029 0.020 . 1 . . . A 19 ILE HG22 . 17690 1 
      131 . 1 1 19 19 ILE HG23 H  1   1.029 0.020 . 1 . . . A 19 ILE HG23 . 17690 1 
      132 . 1 1 19 19 ILE HD11 H  1   1.007 0.020 . 1 . . . A 19 ILE HD11 . 17690 1 
      133 . 1 1 19 19 ILE HD12 H  1   1.007 0.020 . 1 . . . A 19 ILE HD12 . 17690 1 
      134 . 1 1 19 19 ILE HD13 H  1   1.007 0.020 . 1 . . . A 19 ILE HD13 . 17690 1 
      135 . 1 1 19 19 ILE CA   C 13  57.857 0.3   . 1 . . . A 19 ILE CA   . 17690 1 
      136 . 1 1 19 19 ILE CB   C 13  42.211 0.3   . 1 . . . A 19 ILE CB   . 17690 1 
      137 . 1 1 19 19 ILE CG2  C 13  19.625 0.3   . 1 . . . A 19 ILE CG2  . 17690 1 
      138 . 1 1 19 19 ILE CD1  C 13  14.829 0.3   . 1 . . . A 19 ILE CD1  . 17690 1 
      139 . 1 1 19 19 ILE N    N 15 115.499 0.3   . 1 . . . A 19 ILE N    . 17690 1 
      140 . 1 1 20 20 ASP H    H  1   8.694 0.020 . 1 . . . A 20 ASP H    . 17690 1 
      141 . 1 1 20 20 ASP HA   H  1   5.447 0.020 . 1 . . . A 20 ASP HA   . 17690 1 
      142 . 1 1 20 20 ASP HB2  H  1   2.341 0.020 . 2 . . . A 20 ASP HB2  . 17690 1 
      143 . 1 1 20 20 ASP HB3  H  1   2.554 0.020 . 2 . . . A 20 ASP HB3  . 17690 1 
      144 . 1 1 20 20 ASP CA   C 13  53.072 0.3   . 1 . . . A 20 ASP CA   . 17690 1 
      145 . 1 1 20 20 ASP CB   C 13  43.222 0.3   . 1 . . . A 20 ASP CB   . 17690 1 
      146 . 1 1 20 20 ASP N    N 15 123.215 0.3   . 1 . . . A 20 ASP N    . 17690 1 
      147 . 1 1 21 21 LEU H    H  1   9.421 0.020 . 1 . . . A 21 LEU H    . 17690 1 
      148 . 1 1 21 21 LEU HA   H  1   5.269 0.020 . 1 . . . A 21 LEU HA   . 17690 1 
      149 . 1 1 21 21 LEU HB2  H  1   1.514 0.020 . 2 . . . A 21 LEU HB2  . 17690 1 
      150 . 1 1 21 21 LEU HB3  H  1   1.879 0.020 . 2 . . . A 21 LEU HB3  . 17690 1 
      151 . 1 1 21 21 LEU HD11 H  1   0.970 0.020 . 1 . . . A 21 LEU HD11 . 17690 1 
      152 . 1 1 21 21 LEU HD12 H  1   0.970 0.020 . 1 . . . A 21 LEU HD12 . 17690 1 
      153 . 1 1 21 21 LEU HD13 H  1   0.970 0.020 . 1 . . . A 21 LEU HD13 . 17690 1 
      154 . 1 1 21 21 LEU HD21 H  1   0.975 0.020 . 1 . . . A 21 LEU HD21 . 17690 1 
      155 . 1 1 21 21 LEU HD22 H  1   0.975 0.020 . 1 . . . A 21 LEU HD22 . 17690 1 
      156 . 1 1 21 21 LEU HD23 H  1   0.975 0.020 . 1 . . . A 21 LEU HD23 . 17690 1 
      157 . 1 1 21 21 LEU CA   C 13  53.764 0.3   . 1 . . . A 21 LEU CA   . 17690 1 
      158 . 1 1 21 21 LEU CB   C 13  45.139 0.3   . 1 . . . A 21 LEU CB   . 17690 1 
      159 . 1 1 21 21 LEU CG   C 13  27.623 0.3   . 1 . . . A 21 LEU CG   . 17690 1 
      160 . 1 1 21 21 LEU CD1  C 13  24.292 0.3   . 1 . . . A 21 LEU CD1  . 17690 1 
      161 . 1 1 21 21 LEU CD2  C 13  26.164 0.3   . 1 . . . A 21 LEU CD2  . 17690 1 
      162 . 1 1 21 21 LEU N    N 15 129.031 0.3   . 1 . . . A 21 LEU N    . 17690 1 
      163 . 1 1 22 22 ARG H    H  1   8.862 0.020 . 1 . . . A 22 ARG H    . 17690 1 
      164 . 1 1 22 22 ARG HA   H  1   5.385 0.020 . 1 . . . A 22 ARG HA   . 17690 1 
      165 . 1 1 22 22 ARG HB2  H  1   1.710 0.020 . 1 . . . A 22 ARG HB2  . 17690 1 
      166 . 1 1 22 22 ARG HD2  H  1   3.076 0.020 . 1 . . . A 22 ARG HD2  . 17690 1 
      167 . 1 1 22 22 ARG HD3  H  1   3.076 0.020 . 1 . . . A 22 ARG HD3  . 17690 1 
      168 . 1 1 22 22 ARG CA   C 13  54.403 0.3   . 1 . . . A 22 ARG CA   . 17690 1 
      169 . 1 1 22 22 ARG CB   C 13  32.840 0.3   . 1 . . . A 22 ARG CB   . 17690 1 
      170 . 1 1 22 22 ARG CD   C 13  43.644 0.3   . 1 . . . A 22 ARG CD   . 17690 1 
      171 . 1 1 22 22 ARG N    N 15 124.860 0.3   . 1 . . . A 22 ARG N    . 17690 1 
      172 . 1 1 23 23 LEU H    H  1   8.149 0.020 . 1 . . . A 23 LEU H    . 17690 1 
      173 . 1 1 23 23 LEU HA   H  1   5.269 0.020 . 1 . . . A 23 LEU HA   . 17690 1 
      174 . 1 1 23 23 LEU HB2  H  1   1.582 0.020 . 1 . . . A 23 LEU HB2  . 17690 1 
      175 . 1 1 23 23 LEU HB3  H  1   1.582 0.020 . 1 . . . A 23 LEU HB3  . 17690 1 
      176 . 1 1 23 23 LEU HD11 H  1   1.039 0.020 . 1 . . . A 23 LEU HD11 . 17690 1 
      177 . 1 1 23 23 LEU HD12 H  1   1.039 0.020 . 1 . . . A 23 LEU HD12 . 17690 1 
      178 . 1 1 23 23 LEU HD13 H  1   1.039 0.020 . 1 . . . A 23 LEU HD13 . 17690 1 
      179 . 1 1 23 23 LEU CA   C 13  52.166 0.3   . 1 . . . A 23 LEU CA   . 17690 1 
      180 . 1 1 23 23 LEU CB   C 13  45.454 0.3   . 1 . . . A 23 LEU CB   . 17690 1 
      181 . 1 1 23 23 LEU CD1  C 13  25.706 0.3   . 1 . . . A 23 LEU CD1  . 17690 1 
      182 . 1 1 23 23 LEU N    N 15 122.825 0.3   . 1 . . . A 23 LEU N    . 17690 1 
      183 . 1 1 24 24 SER H    H  1   8.428 0.020 . 1 . . . A 24 SER H    . 17690 1 
      184 . 1 1 24 24 SER HA   H  1   4.189 0.020 . 1 . . . A 24 SER HA   . 17690 1 
      185 . 1 1 24 24 SER HB2  H  1   4.572 0.020 . 2 . . . A 24 SER HB2  . 17690 1 
      186 . 1 1 24 24 SER CA   C 13  57.331 0.3   . 1 . . . A 24 SER CA   . 17690 1 
      187 . 1 1 24 24 SER CB   C 13  64.678 0.3   . 1 . . . A 24 SER CB   . 17690 1 
      188 . 1 1 24 24 SER N    N 15 118.505 0.3   . 1 . . . A 24 SER N    . 17690 1 
      189 . 1 1 25 25 HIS H    H  1   8.280 0.020 . 1 . . . A 25 HIS H    . 17690 1 
      190 . 1 1 25 25 HIS HA   H  1   4.493 0.020 . 1 . . . A 25 HIS HA   . 17690 1 
      191 . 1 1 25 25 HIS HB2  H  1   3.162 0.020 . 1 . . . A 25 HIS HB2  . 17690 1 
      192 . 1 1 25 25 HIS HB3  H  1   3.162 0.020 . 1 . . . A 25 HIS HB3  . 17690 1 
      193 . 1 1 25 25 HIS CA   C 13  59.993 0.3   . 1 . . . A 25 HIS CA   . 17690 1 
      194 . 1 1 25 25 HIS CB   C 13  29.806 0.3   . 1 . . . A 25 HIS CB   . 17690 1 
      195 . 1 1 25 25 HIS N    N 15 120.283 0.3   . 1 . . . A 25 HIS N    . 17690 1 
      196 . 1 1 26 26 GLU H    H  1   8.605 0.020 . 1 . . . A 26 GLU H    . 17690 1 
      197 . 1 1 26 26 GLU HA   H  1   4.306 0.020 . 1 . . . A 26 GLU HA   . 17690 1 
      198 . 1 1 26 26 GLU HB2  H  1   1.843 0.020 . 2 . . . A 26 GLU HB2  . 17690 1 
      199 . 1 1 26 26 GLU HB3  H  1   2.145 0.020 . 2 . . . A 26 GLU HB3  . 17690 1 
      200 . 1 1 26 26 GLU CA   C 13  58.821 0.3   . 1 . . . A 26 GLU CA   . 17690 1 
      201 . 1 1 26 26 GLU CB   C 13  28.794 0.3   . 1 . . . A 26 GLU CB   . 17690 1 
      202 . 1 1 26 26 GLU CG   C 13  35.396 0.3   . 1 . . . A 26 GLU CG   . 17690 1 
      203 . 1 1 26 26 GLU N    N 15 120.235 0.3   . 1 . . . A 26 GLU N    . 17690 1 
      204 . 1 1 27 27 ALA H    H  1   7.939 0.020 . 1 . . . A 27 ALA H    . 17690 1 
      205 . 1 1 27 27 ALA HA   H  1   4.030 0.020 . 1 . . . A 27 ALA HA   . 17690 1 
      206 . 1 1 27 27 ALA HB1  H  1   1.585 0.020 . 1 . . . A 27 ALA HB1  . 17690 1 
      207 . 1 1 27 27 ALA HB2  H  1   1.585 0.020 . 1 . . . A 27 ALA HB2  . 17690 1 
      208 . 1 1 27 27 ALA HB3  H  1   1.585 0.020 . 1 . . . A 27 ALA HB3  . 17690 1 
      209 . 1 1 27 27 ALA CA   C 13  55.414 0.3   . 1 . . . A 27 ALA CA   . 17690 1 
      210 . 1 1 27 27 ALA CB   C 13  18.678 0.3   . 1 . . . A 27 ALA CB   . 17690 1 
      211 . 1 1 27 27 ALA N    N 15 123.290 0.3   . 1 . . . A 27 ALA N    . 17690 1 
      212 . 1 1 28 28 LEU H    H  1   8.051 0.020 . 1 . . . A 28 LEU H    . 17690 1 
      213 . 1 1 28 28 LEU HA   H  1   3.974 0.020 . 1 . . . A 28 LEU HA   . 17690 1 
      214 . 1 1 28 28 LEU HB2  H  1   1.585 0.020 . 2 . . . A 28 LEU HB2  . 17690 1 
      215 . 1 1 28 28 LEU HB3  H  1   2.039 0.020 . 2 . . . A 28 LEU HB3  . 17690 1 
      216 . 1 1 28 28 LEU CA   C 13  58.076 0.3   . 1 . . . A 28 LEU CA   . 17690 1 
      217 . 1 1 28 28 LEU CB   C 13  41.412 0.3   . 1 . . . A 28 LEU CB   . 17690 1 
      218 . 1 1 28 28 LEU CG   C 13  27.090 0.3   . 1 . . . A 28 LEU CG   . 17690 1 
      219 . 1 1 28 28 LEU CD1  C 13  24.056 0.3   . 1 . . . A 28 LEU CD1  . 17690 1 
      220 . 1 1 28 28 LEU CD2  C 13  25.280 0.3   . 1 . . . A 28 LEU CD2  . 17690 1 
      221 . 1 1 28 28 LEU N    N 15 116.982 0.3   . 1 . . . A 28 LEU N    . 17690 1 
      222 . 1 1 29 29 ARG H    H  1   8.185 0.020 . 1 . . . A 29 ARG H    . 17690 1 
      223 . 1 1 29 29 ARG HA   H  1   3.968 0.020 . 1 . . . A 29 ARG HA   . 17690 1 
      224 . 1 1 29 29 ARG HB2  H  1   1.932 0.020 . 2 . . . A 29 ARG HB2  . 17690 1 
      225 . 1 1 29 29 ARG HB3  H  1   2.110 0.020 . 2 . . . A 29 ARG HB3  . 17690 1 
      226 . 1 1 29 29 ARG CA   C 13  59.939 0.3   . 1 . . . A 29 ARG CA   . 17690 1 
      227 . 1 1 29 29 ARG CB   C 13  30.231 0.3   . 1 . . . A 29 ARG CB   . 17690 1 
      228 . 1 1 29 29 ARG CG   C 13  27.090 0.3   . 1 . . . A 29 ARG CG   . 17690 1 
      229 . 1 1 29 29 ARG CD   C 13  43.169 0.3   . 1 . . . A 29 ARG CD   . 17690 1 
      230 . 1 1 29 29 ARG N    N 15 119.663 0.3   . 1 . . . A 29 ARG N    . 17690 1 
      231 . 1 1 30 30 GLN H    H  1   8.097 0.020 . 1 . . . A 30 GLN H    . 17690 1 
      232 . 1 1 30 30 GLN HA   H  1   4.039 0.020 . 1 . . . A 30 GLN HA   . 17690 1 
      233 . 1 1 30 30 GLN HB2  H  1   2.190 0.020 . 1 . . . A 30 GLN HB2  . 17690 1 
      234 . 1 1 30 30 GLN HB3  H  1   2.190 0.020 . 1 . . . A 30 GLN HB3  . 17690 1 
      235 . 1 1 30 30 GLN CA   C 13  58.875 0.3   . 1 . . . A 30 GLN CA   . 17690 1 
      236 . 1 1 30 30 GLN CB   C 13  28.049 0.3   . 1 . . . A 30 GLN CB   . 17690 1 
      237 . 1 1 30 30 GLN CG   C 13  33.586 0.3   . 1 . . . A 30 GLN CG   . 17690 1 
      238 . 1 1 30 30 GLN N    N 15 116.955 0.3   . 1 . . . A 30 GLN N    . 17690 1 
      239 . 1 1 31 31 ILE H    H  1   8.386 0.020 . 1 . . . A 31 ILE H    . 17690 1 
      240 . 1 1 31 31 ILE HA   H  1   3.675 0.020 . 1 . . . A 31 ILE HA   . 17690 1 
      241 . 1 1 31 31 ILE HB   H  1   2.021 0.020 . 1 . . . A 31 ILE HB   . 17690 1 
      242 . 1 1 31 31 ILE CA   C 13  65.204 0.3   . 1 . . . A 31 ILE CA   . 17690 1 
      243 . 1 1 31 31 ILE CB   C 13  37.042 0.3   . 1 . . . A 31 ILE CB   . 17690 1 
      244 . 1 1 31 31 ILE CG1  C 13  29.060 0.3   . 1 . . . A 31 ILE CG1  . 17690 1 
      245 . 1 1 31 31 ILE CG2  C 13  17.347 0.3   . 1 . . . A 31 ILE CG2  . 17690 1 
      246 . 1 1 31 31 ILE CD1  C 13  13.780 0.3   . 1 . . . A 31 ILE CD1  . 17690 1 
      247 . 1 1 31 31 ILE N    N 15 121.761 0.3   . 1 . . . A 31 ILE N    . 17690 1 
      248 . 1 1 32 32 TYR H    H  1   8.330 0.020 . 1 . . . A 32 TYR H    . 17690 1 
      249 . 1 1 32 32 TYR HA   H  1   4.128 0.020 . 1 . . . A 32 TYR HA   . 17690 1 
      250 . 1 1 32 32 TYR HB2  H  1   3.257 0.020 . 2 . . . A 32 TYR HB2  . 17690 1 
      251 . 1 1 32 32 TYR HB3  H  1   3.035 0.020 . 2 . . . A 32 TYR HB3  . 17690 1 
      252 . 1 1 32 32 TYR CA   C 13  60.971 0.3   . 1 . . . A 32 TYR CA   . 17690 1 
      253 . 1 1 32 32 TYR CB   C 13  38.217 0.3   . 1 . . . A 32 TYR CB   . 17690 1 
      254 . 1 1 32 32 TYR N    N 15 120.917 0.3   . 1 . . . A 32 TYR N    . 17690 1 
      255 . 1 1 33 33 LEU H    H  1   8.446 0.020 . 1 . . . A 33 LEU H    . 17690 1 
      256 . 1 1 33 33 LEU HA   H  1   3.853 0.020 . 1 . . . A 33 LEU HA   . 17690 1 
      257 . 1 1 33 33 LEU HB2  H  1   1.470 0.020 . 2 . . . A 33 LEU HB2  . 17690 1 
      258 . 1 1 33 33 LEU HB3  H  1   1.879 0.020 . 2 . . . A 33 LEU HB3  . 17690 1 
      259 . 1 1 33 33 LEU CA   C 13  57.597 0.3   . 1 . . . A 33 LEU CA   . 17690 1 
      260 . 1 1 33 33 LEU CB   C 13  41.731 0.3   . 1 . . . A 33 LEU CB   . 17690 1 
      261 . 1 1 33 33 LEU CG   C 13  27.037 0.3   . 1 . . . A 33 LEU CG   . 17690 1 
      262 . 1 1 33 33 LEU CD1  C 13  22.618 0.3   . 1 . . . A 33 LEU CD1  . 17690 1 
      263 . 1 1 33 33 LEU CD2  C 13  25.333 0.3   . 1 . . . A 33 LEU CD2  . 17690 1 
      264 . 1 1 33 33 LEU N    N 15 117.824 0.3   . 1 . . . A 33 LEU N    . 17690 1 
      265 . 1 1 34 34 SER H    H  1   8.002 0.020 . 1 . . . A 34 SER H    . 17690 1 
      266 . 1 1 34 34 SER HA   H  1   4.297 0.020 . 1 . . . A 34 SER HA   . 17690 1 
      267 . 1 1 34 34 SER HB2  H  1   3.968 0.020 . 1 . . . A 34 SER HB2  . 17690 1 
      268 . 1 1 34 34 SER HB3  H  1   3.968 0.020 . 1 . . . A 34 SER HB3  . 17690 1 
      269 . 1 1 34 34 SER CA   C 13  61.643 0.3   . 1 . . . A 34 SER CA   . 17690 1 
      270 . 1 1 34 34 SER CB   C 13  63.560 0.3   . 1 . . . A 34 SER CB   . 17690 1 
      271 . 1 1 34 34 SER N    N 15 114.939 0.3   . 1 . . . A 34 SER N    . 17690 1 
      272 . 1 1 35 35 GLY H    H  1   8.354 0.020 . 1 . . . A 35 GLY H    . 17690 1 
      273 . 1 1 35 35 GLY HA2  H  1   3.728 0.020 . 1 . . . A 35 GLY HA2  . 17690 1 
      274 . 1 1 35 35 GLY HA3  H  1   3.728 0.020 . 1 . . . A 35 GLY HA3  . 17690 1 
      275 . 1 1 35 35 GLY CA   C 13  46.683 0.3   . 1 . . . A 35 GLY CA   . 17690 1 
      276 . 1 1 35 35 GLY N    N 15 110.407 0.3   . 1 . . . A 35 GLY N    . 17690 1 
      277 . 1 1 36 36 LEU H    H  1   8.198 0.020 . 1 . . . A 36 LEU H    . 17690 1 
      278 . 1 1 36 36 LEU HA   H  1   4.013 0.020 . 1 . . . A 36 LEU HA   . 17690 1 
      279 . 1 1 36 36 LEU HB2  H  1   1.434 0.020 . 1 . . . A 36 LEU HB2  . 17690 1 
      280 . 1 1 36 36 LEU HB3  H  1   1.434 0.020 . 1 . . . A 36 LEU HB3  . 17690 1 
      281 . 1 1 36 36 LEU CA   C 13  57.118 0.3   . 1 . . . A 36 LEU CA   . 17690 1 
      282 . 1 1 36 36 LEU CB   C 13  41.785 0.3   . 1 . . . A 36 LEU CB   . 17690 1 
      283 . 1 1 36 36 LEU CG   C 13  26.611 0.3   . 1 . . . A 36 LEU CG   . 17690 1 
      284 . 1 1 36 36 LEU CD1  C 13  24.162 0.3   . 1 . . . A 36 LEU CD1  . 17690 1 
      285 . 1 1 36 36 LEU N    N 15 121.693 0.3   . 1 . . . A 36 LEU N    . 17690 1 
      286 . 1 1 37 37 HIS H    H  1   7.912 0.020 . 1 . . . A 37 HIS H    . 17690 1 
      287 . 1 1 37 37 HIS HA   H  1   4.564 0.020 . 1 . . . A 37 HIS HA   . 17690 1 
      288 . 1 1 37 37 HIS HB2  H  1   3.266 0.020 . 1 . . . A 37 HIS HB2  . 17690 1 
      289 . 1 1 37 37 HIS HB3  H  1   3.266 0.020 . 1 . . . A 37 HIS HB3  . 17690 1 
      290 . 1 1 37 37 HIS CA   C 13  56.339 0.3   . 1 . . . A 37 HIS CA   . 17690 1 
      291 . 1 1 37 37 HIS CB   C 13  28.900 0.3   . 1 . . . A 37 HIS CB   . 17690 1 
      292 . 1 1 37 37 HIS N    N 15 115.842 0.3   . 1 . . . A 37 HIS N    . 17690 1 
      293 . 1 1 38 38 SER H    H  1   7.871 0.020 . 1 . . . A 38 SER H    . 17690 1 
      294 . 1 1 38 38 SER HA   H  1   4.342 0.020 . 1 . . . A 38 SER HA   . 17690 1 
      295 . 1 1 38 38 SER HB2  H  1   3.826 0.020 . 1 . . . A 38 SER HB2  . 17690 1 
      296 . 1 1 38 38 SER HB3  H  1   3.826 0.020 . 1 . . . A 38 SER HB3  . 17690 1 
      297 . 1 1 38 38 SER CA   C 13  59.833 0.3   . 1 . . . A 38 SER CA   . 17690 1 
      298 . 1 1 38 38 SER CB   C 13  62.868 0.3   . 1 . . . A 38 SER CB   . 17690 1 
      299 . 1 1 38 38 SER N    N 15 114.737 0.3   . 1 . . . A 38 SER N    . 17690 1 
      300 . 1 1 39 39 TRP H    H  1   7.968 0.020 . 1 . . . A 39 TRP H    . 17690 1 
      301 . 1 1 39 39 TRP HA   H  1   4.492 0.020 . 1 . . . A 39 TRP HA   . 17690 1 
      302 . 1 1 39 39 TRP HB2  H  1   3.292 0.020 . 1 . . . A 39 TRP HB2  . 17690 1 
      303 . 1 1 39 39 TRP HB3  H  1   3.292 0.020 . 1 . . . A 39 TRP HB3  . 17690 1 
      304 . 1 1 39 39 TRP CA   C 13  57.916 0.3   . 1 . . . A 39 TRP CA   . 17690 1 
      305 . 1 1 39 39 TRP CB   C 13  29.220 0.3   . 1 . . . A 39 TRP CB   . 17690 1 
      306 . 1 1 39 39 TRP N    N 15 122.888 0.3   . 1 . . . A 39 TRP N    . 17690 1 
      307 . 1 1 40 40 LYS H    H  1   7.775 0.020 . 1 . . . A 40 LYS H    . 17690 1 
      308 . 1 1 40 40 LYS HA   H  1   4.270 0.020 . 1 . . . A 40 LYS HA   . 17690 1 
      309 . 1 1 40 40 LYS HB2  H  1   1.661 0.020 . 1 . . . A 40 LYS HB2  . 17690 1 
      310 . 1 1 40 40 LYS HB3  H  1   1.661 0.020 . 1 . . . A 40 LYS HB3  . 17690 1 
      311 . 1 1 40 40 LYS CA   C 13  56.213 0.3   . 1 . . . A 40 LYS CA   . 17690 1 
      312 . 1 1 40 40 LYS CB   C 13  32.570 0.3   . 1 . . . A 40 LYS CB   . 17690 1 
      313 . 1 1 40 40 LYS CG   C 13  24.482 0.3   . 1 . . . A 40 LYS CG   . 17690 1 
      314 . 1 1 40 40 LYS CD   C 13  28.954 0.3   . 1 . . . A 40 LYS CD   . 17690 1 
      315 . 1 1 40 40 LYS CE   C 13  41.944 0.3   . 1 . . . A 40 LYS CE   . 17690 1 
      316 . 1 1 40 40 LYS N    N 15 120.822 0.3   . 1 . . . A 40 LYS N    . 17690 1 
      317 . 1 1 41 41 LYS H    H  1   8.087 0.020 . 1 . . . A 41 LYS H    . 17690 1 
      318 . 1 1 41 41 LYS HA   H  1   4.199 0.020 . 1 . . . A 41 LYS HA   . 17690 1 
      319 . 1 1 41 41 LYS HB2  H  1   1.807 0.020 . 1 . . . A 41 LYS HB2  . 17690 1 
      320 . 1 1 41 41 LYS HB3  H  1   1.807 0.020 . 1 . . . A 41 LYS HB3  . 17690 1 
      321 . 1 1 41 41 LYS CA   C 13  56.905 0.3   . 1 . . . A 41 LYS CA   . 17690 1 
      322 . 1 1 41 41 LYS CB   C 13  32.197 0.3   . 1 . . . A 41 LYS CB   . 17690 1 
      323 . 1 1 41 41 LYS CG   C 13  24.482 0.3   . 1 . . . A 41 LYS CG   . 17690 1 
      324 . 1 1 41 41 LYS CD   C 13  28.900 0.3   . 1 . . . A 41 LYS CD   . 17690 1 
      325 . 1 1 41 41 LYS CE   C 13  41.998 0.3   . 1 . . . A 41 LYS CE   . 17690 1 
      326 . 1 1 41 41 LYS N    N 15 123.403 0.3   . 1 . . . A 41 LYS N    . 17690 1 
      327 . 1 1 42 42 LYS H    H  1   7.815 0.020 . 1 . . . A 42 LYS H    . 17690 1 
      328 . 1 1 42 42 LYS CA   C 13  57.431 0.3   . 1 . . . A 42 LYS CA   . 17690 1 
      329 . 1 1 42 42 LYS CB   C 13  32.570 0.3   . 1 . . . A 42 LYS CB   . 17690 1 
      330 . 1 1 42 42 LYS N    N 15 127.938 0.3   . 1 . . . A 42 LYS N    . 17690 1 

   stop_

save_