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                      18009
   _Assigned_chem_shift_list.ID                            1
   _Assigned_chem_shift_list.Sample_condition_list_ID      1
   _Assigned_chem_shift_list.Sample_condition_list_label  $sample_conditions_1
   _Assigned_chem_shift_list.Chem_shift_reference_ID       1
   _Assigned_chem_shift_list.Chem_shift_reference_label   $chemical_shift_reference_1
   _Assigned_chem_shift_list.Chem_shift_1H_err             .
   _Assigned_chem_shift_list.Chem_shift_13C_err            .
   _Assigned_chem_shift_list.Chem_shift_15N_err            .
   _Assigned_chem_shift_list.Chem_shift_31P_err            .
   _Assigned_chem_shift_list.Chem_shift_2H_err             .
   _Assigned_chem_shift_list.Chem_shift_19F_err            .
   _Assigned_chem_shift_list.Error_derivation_method       .
   _Assigned_chem_shift_list.Details                       .
   _Assigned_chem_shift_list.Text_data_format              .
   _Assigned_chem_shift_list.Text_data                     .

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

      1 '2D 1H-1H TOCSY' . . . 18009 1 
      2 '2D 1H-1H NOESY' . . . 18009 1 

   stop_

   loop_
      _Atom_chem_shift.ID
      _Atom_chem_shift.Assembly_atom_ID
      _Atom_chem_shift.Entity_assembly_ID
      _Atom_chem_shift.Entity_ID
      _Atom_chem_shift.Comp_index_ID
      _Atom_chem_shift.Seq_ID
      _Atom_chem_shift.Comp_ID
      _Atom_chem_shift.Atom_ID
      _Atom_chem_shift.Atom_type
      _Atom_chem_shift.Atom_isotope_number
      _Atom_chem_shift.Val
      _Atom_chem_shift.Val_err
      _Atom_chem_shift.Assign_fig_of_merit
      _Atom_chem_shift.Ambiguity_code
      _Atom_chem_shift.Occupancy
      _Atom_chem_shift.Resonance_ID
      _Atom_chem_shift.Auth_entity_assembly_ID
      _Atom_chem_shift.Auth_asym_ID
      _Atom_chem_shift.Auth_seq_ID
      _Atom_chem_shift.Auth_comp_ID
      _Atom_chem_shift.Auth_atom_ID
      _Atom_chem_shift.Details
      _Atom_chem_shift.Entry_ID
      _Atom_chem_shift.Assigned_chem_shift_list_ID

        1 . 1 1  1  1 SER HA   H 1 4.044 0.000 . 1 . . . A  1 SER HA   . 18009 1 
        2 . 1 1  2  2 ARG H    H 1 8.714 0.005 . 1 . . . A  2 ARG H    . 18009 1 
        3 . 1 1  2  2 ARG HA   H 1 4.263 0.005 . 1 . . . A  2 ARG HA   . 18009 1 
        4 . 1 1  2  2 ARG HB2  H 1 1.721 0.002 . 2 . . . A  2 ARG HB2  . 18009 1 
        5 . 1 1  2  2 ARG HB3  H 1 1.650 0.002 . 2 . . . A  2 ARG HB3  . 18009 1 
        6 . 1 1  2  2 ARG HG2  H 1 1.510 0.000 . 2 . . . A  2 ARG HG2  . 18009 1 
        7 . 1 1  2  2 ARG HG3  H 1 1.510 0.000 . 2 . . . A  2 ARG HG3  . 18009 1 
        8 . 1 1  2  2 ARG HD2  H 1 3.035 0.009 . 2 . . . A  2 ARG HD2  . 18009 1 
        9 . 1 1  2  2 ARG HD3  H 1 3.035 0.009 . 2 . . . A  2 ARG HD3  . 18009 1 
       10 . 1 1  3  3 SER H    H 1 8.369 0.003 . 1 . . . A  3 SER H    . 18009 1 
       11 . 1 1  3  3 SER HA   H 1 4.320 0.002 . 1 . . . A  3 SER HA   . 18009 1 
       12 . 1 1  3  3 SER HB2  H 1 3.739 0.000 . 2 . . . A  3 SER HB2  . 18009 1 
       13 . 1 1  3  3 SER HB3  H 1 3.695 0.001 . 2 . . . A  3 SER HB3  . 18009 1 
       14 . 1 1  4  4 SER H    H 1 8.318 0.001 . 1 . . . A  4 SER H    . 18009 1 
       15 . 1 1  4  4 SER HA   H 1 4.317 0.002 . 1 . . . A  4 SER HA   . 18009 1 
       16 . 1 1  4  4 SER HB2  H 1 3.767 0.006 . 2 . . . A  4 SER HB2  . 18009 1 
       17 . 1 1  4  4 SER HB3  H 1 3.714 0.003 . 2 . . . A  4 SER HB3  . 18009 1 
       18 . 1 1  5  5 LEU H    H 1 8.125 0.001 . 1 . . . A  5 LEU H    . 18009 1 
       19 . 1 1  5  5 LEU HA   H 1 4.160 0.006 . 1 . . . A  5 LEU HA   . 18009 1 
       20 . 1 1  5  5 LEU HB2  H 1 1.491 0.002 . 2 . . . A  5 LEU HB2  . 18009 1 
       21 . 1 1  5  5 LEU HB3  H 1 1.491 0.002 . 2 . . . A  5 LEU HB3  . 18009 1 
       22 . 1 1  5  5 LEU HG   H 1 1.466 0.009 . 1 . . . A  5 LEU HG   . 18009 1 
       23 . 1 1  5  5 LEU HD11 H 1 0.729 0.023 .  . . . . A  5 LEU HD11 . 18009 1 
       24 . 1 1  5  5 LEU HD12 H 1 0.729 0.023 .  . . . . A  5 LEU HD12 . 18009 1 
       25 . 1 1  5  5 LEU HD13 H 1 0.729 0.023 .  . . . . A  5 LEU HD13 . 18009 1 
       26 . 1 1  5  5 LEU HD21 H 1 0.749 0.030 .  . . . . A  5 LEU HD21 . 18009 1 
       27 . 1 1  5  5 LEU HD22 H 1 0.749 0.030 .  . . . . A  5 LEU HD22 . 18009 1 
       28 . 1 1  5  5 LEU HD23 H 1 0.749 0.030 .  . . . . A  5 LEU HD23 . 18009 1 
       29 . 1 1  6  6 ARG H    H 1 8.154 0.003 . 1 . . . A  6 ARG H    . 18009 1 
       30 . 1 1  6  6 ARG HA   H 1 4.107 0.002 . 1 . . . A  6 ARG HA   . 18009 1 
       31 . 1 1  6  6 ARG HB2  H 1 1.653 0.002 . 2 . . . A  6 ARG HB2  . 18009 1 
       32 . 1 1  6  6 ARG HB3  H 1 1.567 0.004 . 2 . . . A  6 ARG HB3  . 18009 1 
       33 . 1 1  6  6 ARG HG2  H 1 1.378 0.004 . 2 . . . A  6 ARG HG2  . 18009 1 
       34 . 1 1  6  6 ARG HG3  H 1 1.378 0.004 . 2 . . . A  6 ARG HG3  . 18009 1 
       35 . 1 1  6  6 ARG HD2  H 1 2.962 0.007 . 2 . . . A  6 ARG HD2  . 18009 1 
       36 . 1 1  6  6 ARG HD3  H 1 2.962 0.007 . 2 . . . A  6 ARG HD3  . 18009 1 
       37 . 1 1  7  7 SER H    H 1 8.091 0.002 . 1 . . . A  7 SER H    . 18009 1 
       38 . 1 1  7  7 SER HA   H 1 4.235 0.002 . 1 . . . A  7 SER HA   . 18009 1 
       39 . 1 1  7  7 SER HB2  H 1 3.712 0.000 . 2 . . . A  7 SER HB2  . 18009 1 
       40 . 1 1  7  7 SER HB3  H 1 3.636 0.002 . 2 . . . A  7 SER HB3  . 18009 1 
       41 . 1 1  8  8 ARG H    H 1 8.166 0.005 . 1 . . . A  8 ARG H    . 18009 1 
       42 . 1 1  8  8 ARG HA   H 1 4.060 0.002 . 1 . . . A  8 ARG HA   . 18009 1 
       43 . 1 1  8  8 ARG HB2  H 1 1.447 0.005 . 2 . . . A  8 ARG HB2  . 18009 1 
       44 . 1 1  8  8 ARG HB3  H 1 1.447 0.005 . 2 . . . A  8 ARG HB3  . 18009 1 
       45 . 1 1  8  8 ARG HG2  H 1 1.172 0.001 . 2 . . . A  8 ARG HG2  . 18009 1 
       46 . 1 1  8  8 ARG HG3  H 1 1.172 0.001 . 2 . . . A  8 ARG HG3  . 18009 1 
       47 . 1 1  8  8 ARG HD2  H 1 2.834 0.004 . 2 . . . A  8 ARG HD2  . 18009 1 
       48 . 1 1  8  8 ARG HD3  H 1 2.834 0.004 . 2 . . . A  8 ARG HD3  . 18009 1 
       49 . 1 1  8  8 ARG HE   H 1 6.873 0.001 . 1 . . . A  8 ARG HE   . 18009 1 
       50 . 1 1  9  9 TRP H    H 1 7.934 0.002 . 1 . . . A  9 TRP H    . 18009 1 
       51 . 1 1  9  9 TRP HA   H 1 4.570 0.003 . 1 . . . A  9 TRP HA   . 18009 1 
       52 . 1 1  9  9 TRP HB2  H 1 3.193 0.001 . 2 . . . A  9 TRP HB2  . 18009 1 
       53 . 1 1  9  9 TRP HB3  H 1 3.048 0.002 . 2 . . . A  9 TRP HB3  . 18009 1 
       54 . 1 1  9  9 TRP HD1  H 1 7.073 0.003 . 1 . . . A  9 TRP HD1  . 18009 1 
       55 . 1 1  9  9 TRP HE1  H 1 9.986 0.001 . 1 . . . A  9 TRP HE1  . 18009 1 
       56 . 1 1  9  9 TRP HE3  H 1 7.432 0.005 . 1 . . . A  9 TRP HE3  . 18009 1 
       57 . 1 1  9  9 TRP HZ2  H 1 7.321 0.004 . 1 . . . A  9 TRP HZ2  . 18009 1 
       58 . 1 1 10 10 GLY H    H 1 7.995 0.002 . 1 . . . A 10 GLY H    . 18009 1 
       59 . 1 1 10 10 GLY HA2  H 1 3.645 0.002 . 2 . . . A 10 GLY HA2  . 18009 1 
       60 . 1 1 10 10 GLY HA3  H 1 3.700 0.005 . 2 . . . A 10 GLY HA3  . 18009 1 
       61 . 1 1 11 11 ARG H    H 1 7.931 0.002 . 1 . . . A 11 ARG H    . 18009 1 
       62 . 1 1 11 11 ARG HA   H 1 4.024 0.002 . 1 . . . A 11 ARG HA   . 18009 1 
       63 . 1 1 11 11 ARG HB2  H 1 1.477 0.005 . 2 . . . A 11 ARG HB2  . 18009 1 
       64 . 1 1 11 11 ARG HB3  H 1 1.430 0.006 . 2 . . . A 11 ARG HB3  . 18009 1 
       65 . 1 1 11 11 ARG HG2  H 1 1.245 0.003 . 2 . . . A 11 ARG HG2  . 18009 1 
       66 . 1 1 11 11 ARG HG3  H 1 1.245 0.003 . 2 . . . A 11 ARG HG3  . 18009 1 
       67 . 1 1 11 11 ARG HD2  H 1 2.920 0.004 . 2 . . . A 11 ARG HD2  . 18009 1 
       68 . 1 1 11 11 ARG HD3  H 1 2.920 0.004 . 2 . . . A 11 ARG HD3  . 18009 1 
       69 . 1 1 11 11 ARG HE   H 1 6.968 0.002 . 1 . . . A 11 ARG HE   . 18009 1 
       70 . 1 1 12 12 PHE H    H 1 8.027 0.001 . 1 . . . A 12 PHE H    . 18009 1 
       71 . 1 1 12 12 PHE HA   H 1 4.447 0.002 . 1 . . . A 12 PHE HA   . 18009 1 
       72 . 1 1 12 12 PHE HB2  H 1 2.984 0.004 . 2 . . . A 12 PHE HB2  . 18009 1 
       73 . 1 1 12 12 PHE HB3  H 1 2.822 0.006 . 2 . . . A 12 PHE HB3  . 18009 1 
       74 . 1 1 12 12 PHE HD1  H 1 7.041 0.001 . 3 . . . A 12 PHE HD1  . 18009 1 
       75 . 1 1 12 12 PHE HD2  H 1 7.041 0.001 . 3 . . . A 12 PHE HD2  . 18009 1 
       76 . 1 1 12 12 PHE HE1  H 1 7.140 0.005 . 3 . . . A 12 PHE HE1  . 18009 1 
       77 . 1 1 12 12 PHE HE2  H 1 7.140 0.005 . 3 . . . A 12 PHE HE2  . 18009 1 
       78 . 1 1 13 13 LEU H    H 1 7.893 0.001 . 1 . . . A 13 LEU H    . 18009 1 
       79 . 1 1 13 13 LEU HA   H 1 4.106 0.003 . 1 . . . A 13 LEU HA   . 18009 1 
       80 . 1 1 13 13 LEU HB2  H 1 1.676 0.000 . 2 . . . A 13 LEU HB2  . 18009 1 
       81 . 1 1 13 13 LEU HB3  H 1 1.580 0.000 . 2 . . . A 13 LEU HB3  . 18009 1 
       82 . 1 1 13 13 LEU HG   H 1 1.348 0.003 . 1 . . . A 13 LEU HG   . 18009 1 
       83 . 1 1 13 13 LEU HD11 H 1 0.665 0.001 .  . . . . A 13 LEU HD11 . 18009 1 
       84 . 1 1 13 13 LEU HD12 H 1 0.665 0.001 .  . . . . A 13 LEU HD12 . 18009 1 
       85 . 1 1 13 13 LEU HD13 H 1 0.665 0.001 .  . . . . A 13 LEU HD13 . 18009 1 
       86 . 1 1 13 13 LEU HD21 H 1 0.709 0.001 .  . . . . A 13 LEU HD21 . 18009 1 
       87 . 1 1 13 13 LEU HD22 H 1 0.709 0.001 .  . . . . A 13 LEU HD22 . 18009 1 
       88 . 1 1 13 13 LEU HD23 H 1 0.709 0.001 .  . . . . A 13 LEU HD23 . 18009 1 
       89 . 1 1 14 14 LEU H    H 1 7.920 0.001 . 1 . . . A 14 LEU H    . 18009 1 
       90 . 1 1 14 14 LEU HA   H 1 4.132 0.010 . 1 . . . A 14 LEU HA   . 18009 1 
       91 . 1 1 14 14 LEU HB2  H 1 1.424 0.002 . 2 . . . A 14 LEU HB2  . 18009 1 
       92 . 1 1 14 14 LEU HB3  H 1 1.424 0.002 . 2 . . . A 14 LEU HB3  . 18009 1 
       93 . 1 1 14 14 LEU HG   H 1 1.352 0.000 . 1 . . . A 14 LEU HG   . 18009 1 
       94 . 1 1 14 14 LEU HD11 H 1 0.737 0.001 .  . . . . A 14 LEU HD11 . 18009 1 
       95 . 1 1 14 14 LEU HD12 H 1 0.737 0.001 .  . . . . A 14 LEU HD12 . 18009 1 
       96 . 1 1 14 14 LEU HD13 H 1 0.737 0.001 .  . . . . A 14 LEU HD13 . 18009 1 
       97 . 1 1 14 14 LEU HD21 H 1 0.700 0.003 .  . . . . A 14 LEU HD21 . 18009 1 
       98 . 1 1 14 14 LEU HD22 H 1 0.700 0.003 .  . . . . A 14 LEU HD22 . 18009 1 
       99 . 1 1 14 14 LEU HD23 H 1 0.700 0.003 .  . . . . A 14 LEU HD23 . 18009 1 
      100 . 1 1 15 15 GLN H    H 1 8.117 0.002 . 1 . . . A 15 GLN H    . 18009 1 
      101 . 1 1 15 15 GLN HA   H 1 4.145 0.006 . 1 . . . A 15 GLN HA   . 18009 1 
      102 . 1 1 15 15 GLN HB2  H 1 1.811 0.007 . 2 . . . A 15 GLN HB2  . 18009 1 
      103 . 1 1 15 15 GLN HB3  H 1 1.910 0.001 . 2 . . . A 15 GLN HB3  . 18009 1 
      104 . 1 1 15 15 GLN HG2  H 1 2.146 0.005 . 2 . . . A 15 GLN HG2  . 18009 1 
      105 . 1 1 15 15 GLN HG3  H 1 2.146 0.005 . 2 . . . A 15 GLN HG3  . 18009 1 
      106 . 1 1 15 15 GLN HE21 H 1 7.336 0.000 . 2 . . . A 15 GLN HE21 . 18009 1 
      107 . 1 1 15 15 GLN HE22 H 1 6.690 0.000 . 2 . . . A 15 GLN HE22 . 18009 1 
      108 . 1 1 16 16 ARG H    H 1 8.123 0.002 . 1 . . . A 16 ARG H    . 18009 1 
      109 . 1 1 16 16 ARG HA   H 1 4.167 0.007 . 1 . . . A 16 ARG HA   . 18009 1 
      110 . 1 1 16 16 ARG HB2  H 1 1.681 0.005 . 2 . . . A 16 ARG HB2  . 18009 1 
      111 . 1 1 16 16 ARG HB3  H 1 1.585 0.007 . 2 . . . A 16 ARG HB3  . 18009 1 
      112 . 1 1 16 16 ARG HG2  H 1 1.481 0.004 . 2 . . . A 16 ARG HG2  . 18009 1 
      113 . 1 1 16 16 ARG HG3  H 1 1.432 0.001 . 2 . . . A 16 ARG HG3  . 18009 1 
      114 . 1 1 16 16 ARG HD2  H 1 2.956 0.005 . 2 . . . A 16 ARG HD2  . 18009 1 
      115 . 1 1 16 16 ARG HD3  H 1 2.956 0.005 . 2 . . . A 16 ARG HD3  . 18009 1 
      116 . 1 1 16 16 ARG HE   H 1 6.980 0.002 . 1 . . . A 16 ARG HE   . 18009 1 
      117 . 1 1 17 17 GLY H    H 1 8.252 0.002 . 1 . . . A 17 GLY H    . 18009 1 
      118 . 1 1 17 17 GLY HA2  H 1 3.769 0.001 . 2 . . . A 17 GLY HA2  . 18009 1 
      119 . 1 1 17 17 GLY HA3  H 1 4.100 0.005 . 2 . . . A 17 GLY HA3  . 18009 1 
      120 . 1 1 18 18 SER H    H 1 8.029 0.002 . 1 . . . A 18 SER H    . 18009 1 
      121 . 1 1 18 18 SER HA   H 1 4.315 0.002 . 1 . . . A 18 SER HA   . 18009 1 
      122 . 1 1 18 18 SER HB2  H 1 3.675 0.002 . 2 . . . A 18 SER HB2  . 18009 1 
      123 . 1 1 18 18 SER HB3  H 1 3.675 0.002 . 2 . . . A 18 SER HB3  . 18009 1 
      124 . 1 1 19 19 TRP H    H 1 8.159 0.001 . 1 . . . A 19 TRP H    . 18009 1 
      125 . 1 1 19 19 TRP HA   H 1 4.594 0.011 . 1 . . . A 19 TRP HA   . 18009 1 
      126 . 1 1 19 19 TRP HB2  H 1 3.115 0.004 . 2 . . . A 19 TRP HB2  . 18009 1 
      127 . 1 1 19 19 TRP HB3  H 1 3.115 0.004 . 2 . . . A 19 TRP HB3  . 18009 1 
      128 . 1 1 19 19 TRP HD1  H 1 7.050 0.002 . 1 . . . A 19 TRP HD1  . 18009 1 
      129 . 1 1 19 19 TRP HE1  H 1 9.890 0.001 . 1 . . . A 19 TRP HE1  . 18009 1 
      130 . 1 1 19 19 TRP HE3  H 1 7.440 0.003 . 1 . . . A 19 TRP HE3  . 18009 1 
      131 . 1 1 19 19 TRP HZ2  H 1 7.312 0.000 . 1 . . . A 19 TRP HZ2  . 18009 1 
      132 . 1 1 20 20 THR H    H 1 7.844 0.001 . 1 . . . A 20 THR H    . 18009 1 
      133 . 1 1 20 20 THR HA   H 1 4.162 0.002 . 1 . . . A 20 THR HA   . 18009 1 
      134 . 1 1 20 20 THR HB   H 1 3.986 0.001 . 1 . . . A 20 THR HB   . 18009 1 
      135 . 1 1 20 20 THR HG21 H 1 0.934 0.001 .  . . . . A 20 THR HG21 . 18009 1 
      136 . 1 1 20 20 THR HG22 H 1 0.934 0.001 .  . . . . A 20 THR HG22 . 18009 1 
      137 . 1 1 20 20 THR HG23 H 1 0.934 0.001 .  . . . . A 20 THR HG23 . 18009 1 
      138 . 1 1 21 21 GLY H    H 1 7.268 0.002 . 1 . . . A 21 GLY H    . 18009 1 
      139 . 1 1 21 21 GLY HA2  H 1 3.717 0.000 . 2 . . . A 21 GLY HA2  . 18009 1 
      140 . 1 1 21 21 GLY HA3  H 1 3.665 0.000 . 2 . . . A 21 GLY HA3  . 18009 1 
      141 . 1 1 22 22 PRO HA   H 1 4.287 0.001 . 1 . . . A 22 PRO HA   . 18009 1 
      142 . 1 1 22 22 PRO HB2  H 1 2.140 0.011 . 2 . . . A 22 PRO HB2  . 18009 1 
      143 . 1 1 22 22 PRO HB3  H 1 2.140 0.011 . 2 . . . A 22 PRO HB3  . 18009 1 
      144 . 1 1 22 22 PRO HG2  H 1 1.876 0.001 . 2 . . . A 22 PRO HG2  . 18009 1 
      145 . 1 1 22 22 PRO HG3  H 1 1.847 0.001 . 2 . . . A 22 PRO HG3  . 18009 1 
      146 . 1 1 22 22 PRO HD2  H 1 3.447 0.000 . 2 . . . A 22 PRO HD2  . 18009 1 
      147 . 1 1 22 22 PRO HD3  H 1 3.412 0.012 . 2 . . . A 22 PRO HD3  . 18009 1 
      148 . 1 1 23 23 ARG H    H 1 8.392 0.004 . 1 . . . A 23 ARG H    . 18009 1 
      149 . 1 1 23 23 ARG HA   H 1 4.167 0.000 . 1 . . . A 23 ARG HA   . 18009 1 
      150 . 1 1 23 23 ARG HB2  H 1 1.694 0.002 . 2 . . . A 23 ARG HB2  . 18009 1 
      151 . 1 1 23 23 ARG HB3  H 1 1.575 0.004 . 2 . . . A 23 ARG HB3  . 18009 1 
      152 . 1 1 23 23 ARG HG2  H 1 1.426 0.004 . 2 . . . A 23 ARG HG2  . 18009 1 
      153 . 1 1 23 23 ARG HG3  H 1 1.426 0.004 . 2 . . . A 23 ARG HG3  . 18009 1 
      154 . 1 1 23 23 ARG HD2  H 1 2.940 0.003 . 2 . . . A 23 ARG HD2  . 18009 1 
      155 . 1 1 23 23 ARG HD3  H 1 2.940 0.003 . 2 . . . A 23 ARG HD3  . 18009 1 
      156 . 1 1 23 23 ARG HE   H 1 6.946 0.007 . 1 . . . A 23 ARG HE   . 18009 1 
      157 . 1 1 24 24 CYS HA   H 1 4.431 0.003 . 1 . . . A 24 CYS HA   . 18009 1 
      158 . 1 1 24 24 CYS HB2  H 1 2.995 0.000 . 2 . . . A 24 CYS HB2  . 18009 1 
      159 . 1 1 24 24 CYS HB3  H 1 2.823 0.000 . 2 . . . A 24 CYS HB3  . 18009 1 

   stop_

save_