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                      16522
   _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' . . . 16522 1 
      2 '2D 1H-1H NOESY' . . . 16522 1 
      3 '2D DQF-COSY'    . . . 16522 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 LYS H    H 1  8.13 0.02 . 1 . . . . 122 LYS H    . 16522 1 
        2 . 1 1  1  1 LYS HA   H 1  4.46 0.02 . 1 . . . . 122 LYS HA   . 16522 1 
        3 . 1 1  1  1 LYS HB2  H 1  1.70 0.02 . 1 . . . . 122 LYS HB2  . 16522 1 
        4 . 1 1  1  1 LYS HB3  H 1  1.70 0.02 . 1 . . . . 122 LYS HB3  . 16522 1 
        5 . 1 1  1  1 LYS HD2  H 1  1.59 0.02 . 1 . . . . 122 LYS HD2  . 16522 1 
        6 . 1 1  1  1 LYS HD3  H 1  1.59 0.02 . 1 . . . . 122 LYS HD3  . 16522 1 
        7 . 1 1  1  1 LYS HE2  H 1  2.89 0.02 . 1 . . . . 122 LYS HE2  . 16522 1 
        8 . 1 1  1  1 LYS HE3  H 1  2.89 0.02 . 1 . . . . 122 LYS HE3  . 16522 1 
        9 . 1 1  1  1 LYS HG2  H 1  1.36 0.02 . 1 . . . . 122 LYS HG2  . 16522 1 
       10 . 1 1  1  1 LYS HG3  H 1  1.36 0.02 . 1 . . . . 122 LYS HG3  . 16522 1 
       11 . 1 1  1  1 LYS HZ1  H 1  7.43 0.02 . 1 . . . . 122 LYS HZ1  . 16522 1 
       12 . 1 1  1  1 LYS HZ2  H 1  7.43 0.02 . 1 . . . . 122 LYS HZ2  . 16522 1 
       13 . 1 1  1  1 LYS HZ3  H 1  7.43 0.02 . 1 . . . . 122 LYS HZ2  . 16522 1 
       14 . 1 1  2  2 PRO HA   H 1  4.30 0.02 . 1 . . . . 123 PRO HA   . 16522 1 
       15 . 1 1  2  2 PRO HB2  H 1  2.17 0.02 . 2 . . . . 123 PRO HB2  . 16522 1 
       16 . 1 1  2  2 PRO HB3  H 1  1.81 0.02 . 2 . . . . 123 PRO HB3  . 16522 1 
       17 . 1 1  2  2 PRO HD2  H 1  3.74 0.02 . 2 . . . . 123 PRO HD2  . 16522 1 
       18 . 1 1  2  2 PRO HD3  H 1  3.53 0.02 . 2 . . . . 123 PRO HD3  . 16522 1 
       19 . 1 1  2  2 PRO HG2  H 1  1.92 0.02 . 1 . . . . 123 PRO HG2  . 16522 1 
       20 . 1 1  2  2 PRO HG3  H 1  1.92 0.02 . 1 . . . . 123 PRO HG3  . 16522 1 
       21 . 1 1  3  3 ASP H    H 1  8.41 0.02 . 1 . . . . 124 ASP H    . 16522 1 
       22 . 1 1  3  3 ASP HA   H 1  4.55 0.02 . 1 . . . . 124 ASP HA   . 16522 1 
       23 . 1 1  3  3 ASP HB2  H 1  2.72 0.02 . 1 . . . . 124 ASP HB2  . 16522 1 
       24 . 1 1  3  3 ASP HB3  H 1  2.72 0.02 . 1 . . . . 124 ASP HB3  . 16522 1 
       25 . 1 1  4  4 ASN H    H 1  8.29 0.02 . 1 . . . . 125 ASN H    . 16522 1 
       26 . 1 1  4  4 ASN HA   H 1  4.55 0.02 . 1 . . . . 125 ASN HA   . 16522 1 
       27 . 1 1  4  4 ASN HB2  H 1  2.72 0.02 . 1 . . . . 125 ASN HB2  . 16522 1 
       28 . 1 1  4  4 ASN HB3  H 1  2.72 0.02 . 1 . . . . 125 ASN HB3  . 16522 1 
       29 . 1 1  4  4 ASN HD21 H 1  7.50 0.02 . 2 . . . . 125 ASN HD2  . 16522 1 
       30 . 1 1  4  4 ASN HD22 H 1  7.50 0.02 . 2 . . . . 125 ASN HD2  . 16522 1 
       31 . 1 1  5  5 LYS H    H 1  8.16 0.02 . 1 . . . . 126 LYS H    . 16522 1 
       32 . 1 1  5  5 LYS HA   H 1  4.14 0.02 . 1 . . . . 126 LYS HA   . 16522 1 
       33 . 1 1  5  5 LYS HB2  H 1  1.68 0.02 . 1 . . . . 126 LYS HB2  . 16522 1 
       34 . 1 1  5  5 LYS HB3  H 1  1.68 0.02 . 1 . . . . 126 LYS HB3  . 16522 1 
       35 . 1 1  5  5 LYS HD2  H 1  1.61 0.02 . 1 . . . . 126 LYS HD2  . 16522 1 
       36 . 1 1  5  5 LYS HD3  H 1  1.61 0.02 . 1 . . . . 126 LYS HD3  . 16522 1 
       37 . 1 1  5  5 LYS HE2  H 1  2.89 0.02 . 1 . . . . 126 LYS HE2  . 16522 1 
       38 . 1 1  5  5 LYS HE3  H 1  2.89 0.02 . 1 . . . . 126 LYS HE3  . 16522 1 
       39 . 1 1  5  5 LYS HG2  H 1  1.31 0.02 . 1 . . . . 126 LYS HG2  . 16522 1 
       40 . 1 1  5  5 LYS HG3  H 1  1.31 0.02 . 1 . . . . 126 LYS HG3  . 16522 1 
       41 . 1 1  5  5 LYS HZ1  H 1  7.43 0.02 . 1 . . . . 126 LYS HZ1  . 16522 1 
       42 . 1 1  5  5 LYS HZ2  H 1  7.43 0.02 . 1 . . . . 126 LYS HZ2  . 16522 1 
       43 . 1 1  5  5 LYS HZ3  H 1  7.43 0.02 . 1 . . . . 126 LYS HZ2  . 16522 1 
       44 . 1 1  6  6 LEU H    H 1  7.89 0.02 . 1 . . . . 127 LEU H    . 16522 1 
       45 . 1 1  6  6 LEU HA   H 1  4.14 0.02 . 1 . . . . 127 LEU HA   . 16522 1 
       46 . 1 1  6  6 LEU HB2  H 1  1.49 0.02 . 2 . . . . 127 LEU HB2  . 16522 1 
       47 . 1 1  6  6 LEU HB3  H 1  1.37 0.02 . 1 . . . . 127 LEU HB3  . 16522 1 
       48 . 1 1  6  6 LEU HD11 H 1  0.79 0.02 . 2 . . . . 127 LEU HD1  . 16522 1 
       49 . 1 1  6  6 LEU HD12 H 1  0.79 0.02 . 2 . . . . 127 LEU HD1  . 16522 1 
       50 . 1 1  6  6 LEU HD13 H 1  0.79 0.02 . 2 . . . . 127 LEU HD1  . 16522 1 
       51 . 1 1  6  6 LEU HD21 H 1  0.75 0.02 . 2 . . . . 127 LEU HD2  . 16522 1 
       52 . 1 1  6  6 LEU HD22 H 1  0.75 0.02 . 2 . . . . 127 LEU HD2  . 16522 1 
       53 . 1 1  6  6 LEU HD23 H 1  0.75 0.02 . 2 . . . . 127 LEU HD2  . 16522 1 
       54 . 1 1  6  6 LEU HG   H 1  1.37 0.02 . 1 . . . . 127 LEU HG   . 16522 1 
       55 . 1 1  7  7 HIS H    H 1  8.30 0.02 . 1 . . . . 128 HIS H    . 16522 1 
       56 . 1 1  7  7 HIS HA   H 1  4.55 0.02 . 1 . . . . 128 HIS HA   . 16522 1 
       57 . 1 1  7  7 HIS HB2  H 1  3.17 0.02 . 2 . . . . 128 HIS HB2  . 16522 1 
       58 . 1 1  7  7 HIS HB3  H 1  3.10 0.02 . 2 . . . . 128 HIS HB3  . 16522 1 
       59 . 1 1  7  7 HIS HD2  H 1  7.16 0.02 . 1 . . . . 128 HIS HD2  . 16522 1 
       60 . 1 1  7  7 HIS HE1  H 1  8.49 0.02 . 1 . . . . 128 HIS HE1  . 16522 1 
       61 . 1 1  8  8 GLN H    H 1  8.21 0.02 . 1 . . . . 129 GLN H    . 16522 1 
       62 . 1 1  8  8 GLN HA   H 1  4.19 0.02 . 1 . . . . 129 GLN HA   . 16522 1 
       63 . 1 1  8  8 GLN HB2  H 1  1.95 0.02 . 2 . . . . 129 GLN HB2  . 16522 1 
       64 . 1 1  8  8 GLN HB3  H 1  1.87 0.02 . 2 . . . . 129 GLN HB3  . 16522 1 
       65 . 1 1  8  8 GLN HE21 H 1  7.38 0.02 . 2 . . . . 129 GLN HE21 . 16522 1 
       66 . 1 1  8  8 GLN HE22 H 1  6.76 0.02 . 2 . . . . 129 GLN HE22 . 16522 1 
       67 . 1 1  8  8 GLN HG2  H 1  2.22 0.02 . 1 . . . . 129 GLN HG2  . 16522 1 
       68 . 1 1  8  8 GLN HG3  H 1  2.22 0.02 . 1 . . . . 129 GLN HG3  . 16522 1 
       69 . 1 1  9  9 GLN H    H 1  8.34 0.02 . 1 . . . . 130 GLN H    . 16522 1 
       70 . 1 1  9  9 GLN HA   H 1  4.21 0.02 . 1 . . . . 130 GLN HA   . 16522 1 
       71 . 1 1  9  9 GLN HB2  H 1  1.92 0.02 . 2 . . . . 130 GLN HB2  . 16522 1 
       72 . 1 1  9  9 GLN HB3  H 1  1.88 0.02 . 2 . . . . 130 GLN HB3  . 16522 1 
       73 . 1 1  9  9 GLN HE21 H 1  7.40 0.02 . 2 . . . . 130 GLN HE21 . 16522 1 
       74 . 1 1  9  9 GLN HE22 H 1  6.78 0.02 . 2 . . . . 130 GLN HE22 . 16522 1 
       75 . 1 1  9  9 GLN HG2  H 1  2.24 0.02 . 1 . . . . 130 GLN HG2  . 16522 1 
       76 . 1 1  9  9 GLN HG3  H 1  2.24 0.02 . 1 . . . . 130 GLN HG3  . 16522 1 
       77 . 1 1 10 10 VAL H    H 1  8.05 0.02 . 1 . . . . 131 VAL H    . 16522 1 
       78 . 1 1 10 10 VAL HA   H 1  3.90 0.02 . 1 . . . . 131 VAL HA   . 16522 1 
       79 . 1 1 10 10 VAL HB   H 1  1.85 0.02 . 1 . . . . 131 VAL HB   . 16522 1 
       80 . 1 1 10 10 VAL HG11 H 1  0.79 0.02 . 2 . . . . 131 VAL HG1  . 16522 1 
       81 . 1 1 10 10 VAL HG12 H 1  0.79 0.02 . 2 . . . . 131 VAL HG1  . 16522 1 
       82 . 1 1 10 10 VAL HG13 H 1  0.79 0.02 . 2 . . . . 131 VAL HG1  . 16522 1 
       83 . 1 1 10 10 VAL HG21 H 1  0.69 0.02 . 2 . . . . 131 VAL HG2  . 16522 1 
       84 . 1 1 10 10 VAL HG22 H 1  0.69 0.02 . 2 . . . . 131 VAL HG2  . 16522 1 
       85 . 1 1 10 10 VAL HG23 H 1  0.69 0.02 . 2 . . . . 131 VAL HG2  . 16522 1 
       86 . 1 1 11 11 LEU H    H 1  8.10 0.02 . 1 . . . . 132 LEU H    . 16522 1 
       87 . 1 1 11 11 LEU HA   H 1  4.21 0.02 . 1 . . . . 132 LEU HA   . 16522 1 
       88 . 1 1 11 11 LEU HB2  H 1  1.59 0.02 . 2 . . . . 132 LEU HB2  . 16522 1 
       89 . 1 1 11 11 LEU HB3  H 1  1.49 0.02 . 1 . . . . 132 LEU HB3  . 16522 1 
       90 . 1 1 11 11 LEU HD11 H 1  0.78 0.02 . 1 . . . . 132 LEU HD1  . 16522 1 
       91 . 1 1 11 11 LEU HD12 H 1  0.78 0.02 . 1 . . . . 132 LEU HD1  . 16522 1 
       92 . 1 1 11 11 LEU HD13 H 1  0.78 0.02 . 1 . . . . 132 LEU HD1  . 16522 1 
       93 . 1 1 11 11 LEU HD21 H 1  0.78 0.02 . 1 . . . . 132 LEU HD2  . 16522 1 
       94 . 1 1 11 11 LEU HD22 H 1  0.78 0.02 . 1 . . . . 132 LEU HD2  . 16522 1 
       95 . 1 1 11 11 LEU HD23 H 1  0.78 0.02 . 1 . . . . 132 LEU HD2  . 16522 1 
       96 . 1 1 11 11 LEU HG   H 1  1.49 0.02 . 1 . . . . 132 LEU HG   . 16522 1 
       97 . 1 1 12 12 TRP H    H 1  7.92 0.02 . 1 . . . . 133 TRP H    . 16522 1 
       98 . 1 1 12 12 TRP HA   H 1  4.49 0.02 . 1 . . . . 133 TRP HA   . 16522 1 
       99 . 1 1 12 12 TRP HB2  H 1  3.17 0.02 . 1 . . . . 133 TRP HB2  . 16522 1 
      100 . 1 1 12 12 TRP HB3  H 1  3.17 0.02 . 1 . . . . 133 TRP HB3  . 16522 1 
      101 . 1 1 12 12 TRP HD1  H 1  7.15 0.02 . 1 . . . . 133 TRP HD1  . 16522 1 
      102 . 1 1 12 12 TRP HE1  H 1 10.01 0.02 . 3 . . . . 133 TRP HE1  . 16522 1 
      103 . 1 1 12 12 TRP HE3  H 1  7.46 0.02 . 3 . . . . 133 TRP HE3  . 16522 1 
      104 . 1 1 12 12 TRP HH2  H 1  7.12 0.02 . 1 . . . . 133 TRP HH2  . 16522 1 
      105 . 1 1 12 12 TRP HZ2  H 1  7.37 0.02 . 3 . . . . 133 TRP HZ2  . 16522 1 
      106 . 1 1 12 12 TRP HZ3  H 1  7.02 0.02 . 3 . . . . 133 TRP HZ3  . 16522 1 
      107 . 1 1 13 13 ARG H    H 1  7.76 0.02 . 1 . . . . 134 ARG H    . 16522 1 
      108 . 1 1 13 13 ARG HA   H 1  4.03 0.02 . 1 . . . . 134 ARG HA   . 16522 1 
      109 . 1 1 13 13 ARG HB2  H 1  1.61 0.02 . 2 . . . . 134 ARG HB2  . 16522 1 
      110 . 1 1 13 13 ARG HB3  H 1  1.49 0.02 . 2 . . . . 134 ARG HB3  . 16522 1 
      111 . 1 1 13 13 ARG HD2  H 1  3.00 0.02 . 1 . . . . 134 ARG HD2  . 16522 1 
      112 . 1 1 13 13 ARG HD3  H 1  3.00 0.02 . 1 . . . . 134 ARG HD3  . 16522 1 
      113 . 1 1 13 13 ARG HE   H 1  7.02 0.02 . 1 . . . . 134 ARG HE   . 16522 1 
      114 . 1 1 13 13 ARG HG2  H 1  1.29 0.02 . 1 . . . . 134 ARG HG2  . 16522 1 
      115 . 1 1 13 13 ARG HG3  H 1  1.29 0.02 . 1 . . . . 134 ARG HG3  . 16522 1 
      116 . 1 1 14 14 LEU H    H 1  7.86 0.02 . 1 . . . . 135 LEU H    . 16522 1 
      117 . 1 1 14 14 LEU HA   H 1  4.14 0.02 . 1 . . . . 135 LEU HA   . 16522 1 
      118 . 1 1 14 14 LEU HB2  H 1  1.57 0.02 . 1 . . . . 135 LEU HB2  . 16522 1 
      119 . 1 1 14 14 LEU HB3  H 1  1.57 0.02 . 1 . . . . 135 LEU HB3  . 16522 1 
      120 . 1 1 14 14 LEU HD11 H 1  0.79 0.02 . 1 . . . . 135 LEU HD1  . 16522 1 
      121 . 1 1 14 14 LEU HD12 H 1  0.79 0.02 . 1 . . . . 135 LEU HD1  . 16522 1 
      122 . 1 1 14 14 LEU HD13 H 1  0.79 0.02 . 1 . . . . 135 LEU HD1  . 16522 1 
      123 . 1 1 14 14 LEU HD21 H 1  0.79 0.02 . 1 . . . . 135 LEU HD2  . 16522 1 
      124 . 1 1 14 14 LEU HD22 H 1  0.79 0.02 . 1 . . . . 135 LEU HD2  . 16522 1 
      125 . 1 1 14 14 LEU HD23 H 1  0.79 0.02 . 1 . . . . 135 LEU HD2  . 16522 1 
      126 . 1 1 14 14 LEU HG   H 1  1.57 0.02 . 1 . . . . 135 LEU HG   . 16522 1 
      127 . 1 1 15 15 VAL H    H 1  7.89 0.02 . 1 . . . . 136 VAL H    . 16522 1 
      128 . 1 1 15 15 VAL HA   H 1  3.91 0.02 . 1 . . . . 136 VAL HA   . 16522 1 
      129 . 1 1 15 15 VAL HB   H 1  1.97 0.02 . 1 . . . . 136 VAL HB   . 16522 1 
      130 . 1 1 15 15 VAL HG21 H 1  0.81 0.02 . 1 . . . . 136 VAL HG2  . 16522 1 
      131 . 1 1 15 15 VAL HG22 H 1  0.81 0.02 . 1 . . . . 136 VAL HG2  . 16522 1 
      132 . 1 1 15 15 VAL HG23 H 1  0.81 0.02 . 1 . . . . 136 VAL HG2  . 16522 1 
      133 . 1 1 16 16 GLN H    H 1  8.14 0.02 . 1 . . . . 137 GLN H    . 16522 1 
      134 . 1 1 16 16 GLN HA   H 1  4.14 0.02 . 1 . . . . 137 GLN HA   . 16522 1 
      135 . 1 1 16 16 GLN HB2  H 1  1.93 0.02 . 2 . . . . 137 GLN HB2  . 16522 1 
      136 . 1 1 16 16 GLN HB3  H 1  1.86 0.02 . 2 . . . . 137 GLN HB3  . 16522 1 
      137 . 1 1 16 16 GLN HE21 H 1  7.32 0.02 . 2 . . . . 137 GLN HE21 . 16522 1 
      138 . 1 1 16 16 GLN HE22 H 1  6.70 0.02 . 2 . . . . 137 GLN HE22 . 16522 1 
      139 . 1 1 16 16 GLN HG2  H 1  2.17 0.02 . 1 . . . . 137 GLN HG2  . 16522 1 
      140 . 1 1 16 16 GLN HG3  H 1  2.17 0.02 . 1 . . . . 137 GLN HG3  . 16522 1 
      141 . 1 1 17 17 GLU H    H 1  8.17 0.02 . 1 . . . . 138 GLU H    . 16522 1 
      142 . 1 1 17 17 GLU HA   H 1  4.29 0.02 . 1 . . . . 138 GLU HA   . 16522 1 
      143 . 1 1 17 17 GLU HB2  H 1  2.01 0.02 . 2 . . . . 138 GLU HB2  . 16522 1 
      144 . 1 1 17 17 GLU HB3  H 1  1.91 0.02 . 2 . . . . 138 GLU HB3  . 16522 1 
      145 . 1 1 17 17 GLU HG2  H 1  2.36 0.02 . 1 . . . . 138 GLU HG2  . 16522 1 
      146 . 1 1 17 17 GLU HG3  H 1  2.36 0.02 . 1 . . . . 138 GLU HG3  . 16522 1 
      147 . 1 1 18 18 LEU H    H 1  8.06 0.02 . 1 . . . . 139 LEU H    . 16522 1 
      148 . 1 1 18 18 LEU HA   H 1  4.21 0.02 . 1 . . . . 139 LEU HA   . 16522 1 
      149 . 1 1 18 18 LEU HB2  H 1  1.49 0.02 . 2 . . . . 139 LEU HB2  . 16522 1 
      150 . 1 1 18 18 LEU HB3  H 1  1.40 0.02 . 1 . . . . 139 LEU HB3  . 16522 1 
      151 . 1 1 18 18 LEU HD11 H 1  0.79 0.02 . 2 . . . . 139 LEU HD1  . 16522 1 
      152 . 1 1 18 18 LEU HD12 H 1  0.79 0.02 . 2 . . . . 139 LEU HD1  . 16522 1 
      153 . 1 1 18 18 LEU HD13 H 1  0.79 0.02 . 2 . . . . 139 LEU HD1  . 16522 1 
      154 . 1 1 18 18 LEU HD21 H 1  0.73 0.02 . 2 . . . . 139 LEU HD2  . 16522 1 
      155 . 1 1 18 18 LEU HD22 H 1  0.73 0.02 . 2 . . . . 139 LEU HD2  . 16522 1 
      156 . 1 1 18 18 LEU HD23 H 1  0.73 0.02 . 2 . . . . 139 LEU HD2  . 16522 1 
      157 . 1 1 18 18 LEU HG   H 1  1.40 0.02 . 1 . . . . 139 LEU HG   . 16522 1 

   stop_

save_