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                      25204
   _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

      2 '2D 1H-1H TOCSY' . . . 25204 1 
      3 '2D 1H-1H NOESY' . . . 25204 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 TYR HA   H 1 4.380 0.02 . 1 . . . A  1 TYR HA   . 25204 1 
        2 . 1 1  1  1 TYR HB2  H 1 2.880 0.02 . 2 . . . A  1 TYR HB2  . 25204 1 
        3 . 1 1  1  1 TYR HB3  H 1 2.880 0.02 . 2 . . . A  1 TYR HB3  . 25204 1 
        4 . 1 1  1  1 TYR HD1  H 1 7.010 0.02 . 3 . . . A  1 TYR HD1  . 25204 1 
        5 . 1 1  1  1 TYR HD2  H 1 7.010 0.02 . 3 . . . A  1 TYR HD2  . 25204 1 
        6 . 1 1  1  1 TYR HE1  H 1 6.720 0.02 . 3 . . . A  1 TYR HE1  . 25204 1 
        7 . 1 1  1  1 TYR HE2  H 1 6.720 0.02 . 3 . . . A  1 TYR HE2  . 25204 1 
        8 . 1 1  1  1 TYR H    H 1 7.810 0.02 . 1 . . . A  1 TYR H1   . 25204 1 
        9 . 1 1  2  2 LEU H    H 1 7.900 0.02 . 1 . . . A  2 LEU H    . 25204 1 
       10 . 1 1  2  2 LEU HA   H 1 4.160 0.02 . 1 . . . A  2 LEU HA   . 25204 1 
       11 . 1 1  2  2 LEU HB2  H 1 1.470 0.02 . 2 . . . A  2 LEU HB2  . 25204 1 
       12 . 1 1  2  2 LEU HB3  H 1 1.470 0.02 . 2 . . . A  2 LEU HB3  . 25204 1 
       13 . 1 1  2  2 LEU HG   H 1 1.720 0.02 . 1 . . . A  2 LEU HG   . 25204 1 
       14 . 1 1  2  2 LEU HD11 H 1 0.810 0.02 . 2 . . . A  2 LEU HD11 . 25204 1 
       15 . 1 1  2  2 LEU HD12 H 1 0.810 0.02 . 2 . . . A  2 LEU HD12 . 25204 1 
       16 . 1 1  2  2 LEU HD13 H 1 0.810 0.02 . 2 . . . A  2 LEU HD13 . 25204 1 
       17 . 1 1  2  2 LEU HD21 H 1 0.750 0.02 . 2 . . . A  2 LEU HD21 . 25204 1 
       18 . 1 1  2  2 LEU HD22 H 1 0.750 0.02 . 2 . . . A  2 LEU HD22 . 25204 1 
       19 . 1 1  2  2 LEU HD23 H 1 0.750 0.02 . 2 . . . A  2 LEU HD23 . 25204 1 
       20 . 1 1  3  3 GLY H    H 1 7.550 0.02 . 1 . . . A  3 GLY H    . 25204 1 
       21 . 1 1  3  3 GLY HA2  H 1 3.820 0.02 . 2 . . . A  3 GLY HA2  . 25204 1 
       22 . 1 1  3  3 GLY HA3  H 1 3.770 0.02 . 2 . . . A  3 GLY HA3  . 25204 1 
       23 . 1 1  4  4 ARG H    H 1 8.020 0.02 . 1 . . . A  4 ARG H    . 25204 1 
       24 . 1 1  4  4 ARG HA   H 1 4.280 0.02 . 1 . . . A  4 ARG HA   . 25204 1 
       25 . 1 1  4  4 ARG HB2  H 1 1.850 0.02 . 2 . . . A  4 ARG HB2  . 25204 1 
       26 . 1 1  4  4 ARG HB3  H 1 1.740 0.02 . 2 . . . A  4 ARG HB3  . 25204 1 
       27 . 1 1  4  4 ARG HG2  H 1 1.590 0.02 . 2 . . . A  4 ARG HG2  . 25204 1 
       28 . 1 1  4  4 ARG HG3  H 1 1.590 0.02 . 2 . . . A  4 ARG HG3  . 25204 1 
       29 . 1 1  4  4 ARG HD2  H 1 3.100 0.02 . 2 . . . A  4 ARG HD2  . 25204 1 
       30 . 1 1  4  4 ARG HD3  H 1 3.100 0.02 . 2 . . . A  4 ARG HD3  . 25204 1 
       31 . 1 1  4  4 ARG HH11 H 1 7.120 0.02 . 2 . . . A  4 ARG HH11 . 25204 1 
       32 . 1 1  4  4 ARG HH12 H 1 7.120 0.02 . 2 . . . A  4 ARG HH12 . 25204 1 
       33 . 1 1  4  4 ARG HH21 H 1 6.700 0.02 . 2 . . . A  4 ARG HH21 . 25204 1 
       34 . 1 1  4  4 ARG HH22 H 1 6.700 0.02 . 2 . . . A  4 ARG HH22 . 25204 1 
       35 . 1 1  5  5 SER H    H 1 8.160 0.02 . 1 . . . A  5 SER H    . 25204 1 
       36 . 1 1  5  5 SER HA   H 1 4.410 0.02 . 1 . . . A  5 SER HA   . 25204 1 
       37 . 1 1  5  5 SER HB2  H 1 3.850 0.02 . 2 . . . A  5 SER HB2  . 25204 1 
       38 . 1 1  5  5 SER HB3  H 1 3.850 0.02 . 2 . . . A  5 SER HB3  . 25204 1 
       39 . 1 1  6  6 GLY H    H 1 8.250 0.02 . 1 . . . A  6 GLY H    . 25204 1 
       40 . 1 1  6  6 GLY HA2  H 1 3.840 0.02 . 2 . . . A  6 GLY HA2  . 25204 1 
       41 . 1 1  6  6 GLY HA3  H 1 3.840 0.02 . 2 . . . A  6 GLY HA3  . 25204 1 
       42 . 1 1  7  7 GLY H    H 1 8.200 0.02 . 1 . . . A  7 GLY H    . 25204 1 
       43 . 1 1  7  7 GLY HA2  H 1 3.800 0.02 . 1 . . . A  7 GLY HA2  . 25204 1 
       44 . 1 1  7  7 GLY HA3  H 1 3.800 0.02 . 1 . . . A  7 GLY HA3  . 25204 1 
       45 . 1 1  8  8 ASP H    H 1 8.070 0.02 . 1 . . . A  8 ASP H    . 25204 1 
       46 . 1 1  8  8 ASP HA   H 1 4.460 0.02 . 1 . . . A  8 ASP HA   . 25204 1 
       47 . 1 1  8  8 ASP HB2  H 1 2.790 0.02 . 2 . . . A  8 ASP HB2  . 25204 1 
       48 . 1 1  8  8 ASP HB3  H 1 2.790 0.02 . 2 . . . A  8 ASP HB3  . 25204 1 
       49 . 1 1  9  9 ILE H    H 1 7.760 0.02 . 1 . . . A  9 ILE H    . 25204 1 
       50 . 1 1  9  9 ILE HA   H 1 3.750 0.02 . 1 . . . A  9 ILE HA   . 25204 1 
       51 . 1 1  9  9 ILE HB   H 1 1.930 0.02 . 1 . . . A  9 ILE HB   . 25204 1 
       52 . 1 1  9  9 ILE HG12 H 1 1.170 0.02 . 2 . . . A  9 ILE HG12 . 25204 1 
       53 . 1 1  9  9 ILE HG13 H 1 1.530 0.02 . 2 . . . A  9 ILE HG13 . 25204 1 
       54 . 1 1  9  9 ILE HG21 H 1 0.870 0.02 . 1 . . . A  9 ILE HG21 . 25204 1 
       55 . 1 1  9  9 ILE HG22 H 1 0.870 0.02 . 1 . . . A  9 ILE HG22 . 25204 1 
       56 . 1 1  9  9 ILE HG23 H 1 0.870 0.02 . 1 . . . A  9 ILE HG23 . 25204 1 
       57 . 1 1  9  9 ILE HD11 H 1 0.810 0.02 . 1 . . . A  9 ILE HD11 . 25204 1 
       58 . 1 1  9  9 ILE HD12 H 1 0.810 0.02 . 1 . . . A  9 ILE HD12 . 25204 1 
       59 . 1 1  9  9 ILE HD13 H 1 0.810 0.02 . 1 . . . A  9 ILE HD13 . 25204 1 
       60 . 1 1 10 10 ILE H    H 1 7.630 0.02 . 1 . . . A 10 ILE H    . 25204 1 
       61 . 1 1 10 10 ILE HA   H 1 3.680 0.02 . 1 . . . A 10 ILE HA   . 25204 1 
       62 . 1 1 10 10 ILE HB   H 1 1.850 0.02 . 1 . . . A 10 ILE HB   . 25204 1 
       63 . 1 1 10 10 ILE HG12 H 1 1.520 0.02 . 2 . . . A 10 ILE HG12 . 25204 1 
       64 . 1 1 10 10 ILE HG13 H 1 1.170 0.02 . 2 . . . A 10 ILE HG13 . 25204 1 
       65 . 1 1 10 10 ILE HG21 H 1 0.820 0.02 . 1 . . . A 10 ILE HG21 . 25204 1 
       66 . 1 1 10 10 ILE HG22 H 1 0.820 0.02 . 1 . . . A 10 ILE HG22 . 25204 1 
       67 . 1 1 10 10 ILE HG23 H 1 0.820 0.02 . 1 . . . A 10 ILE HG23 . 25204 1 
       68 . 1 1 10 10 ILE HD11 H 1 0.750 0.02 . 1 . . . A 10 ILE HD11 . 25204 1 
       69 . 1 1 10 10 ILE HD12 H 1 0.750 0.02 . 1 . . . A 10 ILE HD12 . 25204 1 
       70 . 1 1 10 10 ILE HD13 H 1 0.750 0.02 . 1 . . . A 10 ILE HD13 . 25204 1 
       71 . 1 1 11 11 LYS H    H 1 7.620 0.02 . 1 . . . A 11 LYS H    . 25204 1 
       72 . 1 1 11 11 LYS HA   H 1 4.030 0.02 . 1 . . . A 11 LYS HA   . 25204 1 
       73 . 1 1 11 11 LYS HB2  H 1 1.850 0.02 . 2 . . . A 11 LYS HB2  . 25204 1 
       74 . 1 1 11 11 LYS HB3  H 1 1.850 0.02 . 2 . . . A 11 LYS HB3  . 25204 1 
       75 . 1 1 11 11 LYS HG2  H 1 1.380 0.02 . 2 . . . A 11 LYS HG2  . 25204 1 
       76 . 1 1 11 11 LYS HG3  H 1 1.470 0.02 . 2 . . . A 11 LYS HG3  . 25204 1 
       77 . 1 1 11 11 LYS HD2  H 1 1.630 0.02 . 2 . . . A 11 LYS HD2  . 25204 1 
       78 . 1 1 11 11 LYS HD3  H 1 1.630 0.02 . 2 . . . A 11 LYS HD3  . 25204 1 
       79 . 1 1 11 11 LYS HE2  H 1 2.900 0.02 . 2 . . . A 11 LYS HE2  . 25204 1 
       80 . 1 1 11 11 LYS HE3  H 1 2.900 0.02 . 2 . . . A 11 LYS HE3  . 25204 1 
       81 . 1 1 12 12 LYS H    H 1 7.910 0.02 . 1 . . . A 12 LYS H    . 25204 1 
       82 . 1 1 12 12 LYS HA   H 1 3.950 0.02 . 1 . . . A 12 LYS HA   . 25204 1 
       83 . 1 1 12 12 LYS HB2  H 1 1.920 0.02 . 2 . . . A 12 LYS HB2  . 25204 1 
       84 . 1 1 12 12 LYS HB3  H 1 1.920 0.02 . 2 . . . A 12 LYS HB3  . 25204 1 
       85 . 1 1 12 12 LYS HG2  H 1 1.360 0.02 . 2 . . . A 12 LYS HG2  . 25204 1 
       86 . 1 1 12 12 LYS HG3  H 1 1.360 0.02 . 2 . . . A 12 LYS HG3  . 25204 1 
       87 . 1 1 12 12 LYS HD2  H 1 1.580 0.02 . 2 . . . A 12 LYS HD2  . 25204 1 
       88 . 1 1 12 12 LYS HD3  H 1 1.580 0.02 . 2 . . . A 12 LYS HD3  . 25204 1 
       89 . 1 1 12 12 LYS HE2  H 1 2.850 0.02 . 2 . . . A 12 LYS HE2  . 25204 1 
       90 . 1 1 12 12 LYS HE3  H 1 2.850 0.02 . 2 . . . A 12 LYS HE3  . 25204 1 
       91 . 1 1 13 13 MET H    H 1 8.380 0.02 . 1 . . . A 13 MET H    . 25204 1 
       92 . 1 1 13 13 MET HA   H 1 4.150 0.02 . 1 . . . A 13 MET HA   . 25204 1 
       93 . 1 1 13 13 MET HB2  H 1 2.150 0.02 . 2 . . . A 13 MET HB2  . 25204 1 
       94 . 1 1 13 13 MET HB3  H 1 2.150 0.02 . 2 . . . A 13 MET HB3  . 25204 1 
       95 . 1 1 13 13 MET HG2  H 1 2.470 0.02 . 2 . . . A 13 MET HG2  . 25204 1 
       96 . 1 1 13 13 MET HG3  H 1 2.620 0.02 . 2 . . . A 13 MET HG3  . 25204 1 
       97 . 1 1 13 13 MET HE1  H 1 1.960 0.02 . 1 . . . A 13 MET HE1  . 25204 1 
       98 . 1 1 13 13 MET HE2  H 1 1.960 0.02 . 1 . . . A 13 MET HE2  . 25204 1 
       99 . 1 1 13 13 MET HE3  H 1 1.960 0.02 . 1 . . . A 13 MET HE3  . 25204 1 
      100 . 1 1 14 14 GLN H    H 1 8.500 0.02 . 1 . . . A 14 GLN H    . 25204 1 
      101 . 1 1 14 14 GLN HA   H 1 3.960 0.02 . 1 . . . A 14 GLN HA   . 25204 1 
      102 . 1 1 14 14 GLN HB2  H 1 2.060 0.02 . 2 . . . A 14 GLN HB2  . 25204 1 
      103 . 1 1 14 14 GLN HB3  H 1 2.170 0.02 . 2 . . . A 14 GLN HB3  . 25204 1 
      104 . 1 1 14 14 GLN HG2  H 1 2.480 0.02 . 2 . . . A 14 GLN HG2  . 25204 1 
      105 . 1 1 14 14 GLN HG3  H 1 2.270 0.02 . 2 . . . A 14 GLN HG3  . 25204 1 
      106 . 1 1 14 14 GLN HE21 H 1 6.920 0.02 . 2 . . . A 14 GLN HE21 . 25204 1 
      107 . 1 1 14 14 GLN HE22 H 1 6.430 0.02 . 2 . . . A 14 GLN HE22 . 25204 1 
      108 . 1 1 15 15 THR H    H 1 7.930 0.02 . 1 . . . A 15 THR H    . 25204 1 
      109 . 1 1 15 15 THR HA   H 1 4.340 0.02 . 1 . . . A 15 THR HA   . 25204 1 
      110 . 1 1 15 15 THR HB   H 1 3.920 0.02 . 1 . . . A 15 THR HB   . 25204 1 
      111 . 1 1 15 15 THR HG21 H 1 1.200 0.02 . 1 . . . A 15 THR HG21 . 25204 1 
      112 . 1 1 15 15 THR HG22 H 1 1.200 0.02 . 1 . . . A 15 THR HG22 . 25204 1 
      113 . 1 1 15 15 THR HG23 H 1 1.200 0.02 . 1 . . . A 15 THR HG23 . 25204 1 
      114 . 1 1 16 16 LEU H    H 1 7.960 0.02 . 1 . . . A 16 LEU H    . 25204 1 
      115 . 1 1 16 16 LEU HA   H 1 4.060 0.02 . 1 . . . A 16 LEU HA   . 25204 1 
      116 . 1 1 16 16 LEU HB2  H 1 1.710 0.02 . 2 . . . A 16 LEU HB2  . 25204 1 
      117 . 1 1 16 16 LEU HB3  H 1 1.710 0.02 . 2 . . . A 16 LEU HB3  . 25204 1 
      118 . 1 1 16 16 LEU HG   H 1 1.720 0.02 . 1 . . . A 16 LEU HG   . 25204 1 
      119 . 1 1 16 16 LEU HD11 H 1 0.810 0.02 . 2 . . . A 16 LEU HD11 . 25204 1 
      120 . 1 1 16 16 LEU HD12 H 1 0.810 0.02 . 2 . . . A 16 LEU HD12 . 25204 1 
      121 . 1 1 16 16 LEU HD13 H 1 0.810 0.02 . 2 . . . A 16 LEU HD13 . 25204 1 
      122 . 1 1 16 16 LEU HD21 H 1 0.750 0.02 . 2 . . . A 16 LEU HD21 . 25204 1 
      123 . 1 1 16 16 LEU HD22 H 1 0.750 0.02 . 2 . . . A 16 LEU HD22 . 25204 1 
      124 . 1 1 16 16 LEU HD23 H 1 0.750 0.02 . 2 . . . A 16 LEU HD23 . 25204 1 
      125 . 1 1 17 17 TRP H    H 1 8.470 0.02 . 1 . . . A 17 TRP H    . 25204 1 
      126 . 1 1 17 17 TRP HA   H 1 4.070 0.02 . 1 . . . A 17 TRP HA   . 25204 1 
      127 . 1 1 17 17 TRP HB2  H 1 3.290 0.02 . 2 . . . A 17 TRP HB2  . 25204 1 
      128 . 1 1 17 17 TRP HB3  H 1 3.290 0.02 . 2 . . . A 17 TRP HB3  . 25204 1 
      129 . 1 1 17 17 TRP HD1  H 1 7.050 0.02 . 1 . . . A 17 TRP HD1  . 25204 1 
      130 . 1 1 17 17 TRP HE1  H 1 9.520 0.02 . 1 . . . A 17 TRP HE1  . 25204 1 
      131 . 1 1 17 17 TRP HE3  H 1 7.470 0.02 . 1 . . . A 17 TRP HE3  . 25204 1 
      132 . 1 1 17 17 TRP HZ2  H 1 7.300 0.02 . 1 . . . A 17 TRP HZ2  . 25204 1 
      133 . 1 1 17 17 TRP HZ3  H 1 6.960 0.02 . 1 . . . A 17 TRP HZ3  . 25204 1 
      134 . 1 1 17 17 TRP HH2  H 1 7.030 0.02 . 1 . . . A 17 TRP HH2  . 25204 1 
      135 . 1 1 18 18 ASP H    H 1 8.420 0.02 . 1 . . . A 18 ASP H    . 25204 1 
      136 . 1 1 18 18 ASP HA   H 1 4.270 0.02 . 1 . . . A 18 ASP HA   . 25204 1 
      137 . 1 1 18 18 ASP HB2  H 1 2.840 0.02 . 2 . . . A 18 ASP HB2  . 25204 1 
      138 . 1 1 18 18 ASP HB3  H 1 3.160 0.02 . 2 . . . A 18 ASP HB3  . 25204 1 
      139 . 1 1 19 19 GLU H    H 1 8.040 0.02 . 1 . . . A 19 GLU H    . 25204 1 
      140 . 1 1 19 19 GLU HA   H 1 4.020 0.02 . 1 . . . A 19 GLU HA   . 25204 1 
      141 . 1 1 19 19 GLU HB2  H 1 2.090 0.02 . 2 . . . A 19 GLU HB2  . 25204 1 
      142 . 1 1 19 19 GLU HB3  H 1 2.290 0.02 . 2 . . . A 19 GLU HB3  . 25204 1 
      143 . 1 1 19 19 GLU HG2  H 1 2.420 0.02 . 2 . . . A 19 GLU HG2  . 25204 1 
      144 . 1 1 19 19 GLU HG3  H 1 2.590 0.02 . 2 . . . A 19 GLU HG3  . 25204 1 
      145 . 1 1 20 20 ILE H    H 1 8.140 0.02 . 1 . . . A 20 ILE H    . 25204 1 
      146 . 1 1 20 20 ILE HA   H 1 3.730 0.02 . 1 . . . A 20 ILE HA   . 25204 1 
      147 . 1 1 20 20 ILE HB   H 1 1.660 0.02 . 1 . . . A 20 ILE HB   . 25204 1 
      148 . 1 1 20 20 ILE HG12 H 1 1.560 0.02 . 2 . . . A 20 ILE HG12 . 25204 1 
      149 . 1 1 20 20 ILE HG13 H 1 1.040 0.02 . 2 . . . A 20 ILE HG13 . 25204 1 
      150 . 1 1 20 20 ILE HG21 H 1 0.720 0.02 . 1 . . . A 20 ILE HG21 . 25204 1 
      151 . 1 1 20 20 ILE HG22 H 1 0.720 0.02 . 1 . . . A 20 ILE HG22 . 25204 1 
      152 . 1 1 20 20 ILE HG23 H 1 0.720 0.02 . 1 . . . A 20 ILE HG23 . 25204 1 
      153 . 1 1 20 20 ILE HD11 H 1 0.670 0.02 . 1 . . . A 20 ILE HD11 . 25204 1 
      154 . 1 1 20 20 ILE HD12 H 1 0.670 0.02 . 1 . . . A 20 ILE HD12 . 25204 1 
      155 . 1 1 20 20 ILE HD13 H 1 0.670 0.02 . 1 . . . A 20 ILE HD13 . 25204 1 
      156 . 1 1 21 21 MET H    H 1 8.070 0.02 . 1 . . . A 21 MET H    . 25204 1 
      157 . 1 1 21 21 MET HA   H 1 4.150 0.02 . 1 . . . A 21 MET HA   . 25204 1 
      158 . 1 1 21 21 MET HB2  H 1 1.340 0.02 . 2 . . . A 21 MET HB2  . 25204 1 
      159 . 1 1 21 21 MET HB3  H 1 1.550 0.02 . 2 . . . A 21 MET HB3  . 25204 1 
      160 . 1 1 21 21 MET HG2  H 1 1.750 0.02 . 2 . . . A 21 MET HG2  . 25204 1 
      161 . 1 1 21 21 MET HG3  H 1 1.660 0.02 . 2 . . . A 21 MET HG3  . 25204 1 

   stop_

save_