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                      25555
   _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             0.0025
   _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 COSY'  1 $sample_1 isotropic 25555 1 
      2 '2D 1H-1H TOCSY' 1 $sample_1 isotropic 25555 1 
      3 '2D 1H-1H NOESY' 1 $sample_1 isotropic 25555 1 

   stop_

   loop_
      _Chem_shift_software.Software_ID
      _Chem_shift_software.Software_label
      _Chem_shift_software.Method_ID
      _Chem_shift_software.Method_label
      _Chem_shift_software.Entry_ID
      _Chem_shift_software.Assigned_chem_shift_list_ID

      1 $xwinnmr . . 25555 1 
      2 $TOPSPIN . . 25555 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 PHE HA   H 1 4.269 0.0025 . 1 . . . A  1 PHE HA   . 25555 1 
        2 . 1 1  1  1 PHE HB2  H 1 3.208 0.0025 . 2 . . . A  1 PHE HB2  . 25555 1 
        3 . 1 1  1  1 PHE HB3  H 1 3.208 0.0025 . 2 . . . A  1 PHE HB3  . 25555 1 
        4 . 1 1  1  1 PHE HD1  H 1 7.353 0.0025 . 3 . . . A  1 PHE HD1  . 25555 1 
        5 . 1 1  1  1 PHE HD2  H 1 7.353 0.0025 . 3 . . . A  1 PHE HD2  . 25555 1 
        6 . 1 1  2  2 GLU H    H 1 8.711 0.0025 . 1 . . . A  2 GLU H    . 25555 1 
        7 . 1 1  2  2 GLU HA   H 1 4.244 0.0025 . 1 . . . A  2 GLU HA   . 25555 1 
        8 . 1 1  2  2 GLU HB2  H 1 2.016 0.0025 . 2 . . . A  2 GLU HB2  . 25555 1 
        9 . 1 1  2  2 GLU HB3  H 1 1.858 0.0025 . 2 . . . A  2 GLU HB3  . 25555 1 
       10 . 1 1  2  2 GLU HG2  H 1 2.253 0.0025 . 2 . . . A  2 GLU HG2  . 25555 1 
       11 . 1 1  2  2 GLU HG3  H 1 2.253 0.0025 . 2 . . . A  2 GLU HG3  . 25555 1 
       12 . 1 1  3  3 ASP H    H 1 8.117 0.0025 . 1 . . . A  3 ASP H    . 25555 1 
       13 . 1 1  3  3 ASP HA   H 1 4.572 0.0025 . 1 . . . A  3 ASP HA   . 25555 1 
       14 . 1 1  3  3 ASP HB2  H 1 2.850 0.0025 . 2 . . . A  3 ASP HB2  . 25555 1 
       15 . 1 1  3  3 ASP HB3  H 1 2.692 0.0025 . 2 . . . A  3 ASP HB3  . 25555 1 
       16 . 1 1  4  4 LEU H    H 1 7.909 0.0025 . 1 . . . A  4 LEU H    . 25555 1 
       17 . 1 1  4  4 LEU HA   H 1 4.536 0.0025 . 1 . . . A  4 LEU HA   . 25555 1 
       18 . 1 1  4  4 LEU HB2  H 1 1.654 0.0025 . 2 . . . A  4 LEU HB2  . 25555 1 
       19 . 1 1  4  4 LEU HB3  H 1 1.540 0.0025 . 2 . . . A  4 LEU HB3  . 25555 1 
       20 . 1 1  4  4 LEU HG   H 1 1.757 0.0025 . 1 . . . A  4 LEU HG   . 25555 1 
       21 . 1 1  4  4 LEU HD11 H 1 0.960 0.0025 . 2 . . . A  4 LEU MD1  . 25555 1 
       22 . 1 1  4  4 LEU HD12 H 1 0.960 0.0025 . 2 . . . A  4 LEU MD1  . 25555 1 
       23 . 1 1  4  4 LEU HD13 H 1 0.960 0.0025 . 2 . . . A  4 LEU MD1  . 25555 1 
       24 . 1 1  4  4 LEU HD21 H 1 0.926 0.0025 . 2 . . . A  4 LEU MD2  . 25555 1 
       25 . 1 1  4  4 LEU HD22 H 1 0.926 0.0025 . 2 . . . A  4 LEU MD2  . 25555 1 
       26 . 1 1  4  4 LEU HD23 H 1 0.926 0.0025 . 2 . . . A  4 LEU MD2  . 25555 1 
       27 . 1 1  5  5 PRO HA   H 1 4.366 0.0025 . 1 . . . A  5 PRO HA   . 25555 1 
       28 . 1 1  5  5 PRO HB2  H 1 2.162 0.0025 . 2 . . . A  5 PRO HB2  . 25555 1 
       29 . 1 1  5  5 PRO HB3  H 1 1.527 0.0025 . 2 . . . A  5 PRO HB3  . 25555 1 
       30 . 1 1  5  5 PRO HG2  H 1 1.884 0.0025 . 2 . . . A  5 PRO HG2  . 25555 1 
       31 . 1 1  5  5 PRO HG3  H 1 1.761 0.0025 . 2 . . . A  5 PRO HG3  . 25555 1 
       32 . 1 1  5  5 PRO HD2  H 1 3.772 0.0025 . 2 . . . A  5 PRO HD2  . 25555 1 
       33 . 1 1  5  5 PRO HD3  H 1 3.451 0.0025 . 2 . . . A  5 PRO HD3  . 25555 1 
       34 . 1 1  6  6 ASN H    H 1 8.297 0.0025 . 1 . . . A  6 ASN H    . 25555 1 
       35 . 1 1  6  6 ASN HA   H 1 4.603 0.0025 . 1 . . . A  6 ASN HA   . 25555 1 
       36 . 1 1  6  6 ASN HB2  H 1 2.718 0.0025 . 2 . . . A  6 ASN HB2  . 25555 1 
       37 . 1 1  6  6 ASN HB3  H 1 2.718 0.0025 . 2 . . . A  6 ASN HB3  . 25555 1 
       38 . 1 1  6  6 ASN HD21 H 1 7.636 0.0025 . 2 . . . A  6 ASN HD21 . 25555 1 
       39 . 1 1  6  6 ASN HD22 H 1 6.825 0.0025 . 2 . . . A  6 ASN HD22 . 25555 1 
       40 . 1 1  7  7 PHE H    H 1 8.387 0.0025 . 1 . . . A  7 PHE H    . 25555 1 
       41 . 1 1  7  7 PHE HA   H 1 4.402 0.0025 . 1 . . . A  7 PHE HA   . 25555 1 
       42 . 1 1  7  7 PHE HB2  H 1 3.182 0.0025 . 2 . . . A  7 PHE HB2  . 25555 1 
       43 . 1 1  7  7 PHE HB3  H 1 3.047 0.0025 . 2 . . . A  7 PHE HB3  . 25555 1 
       44 . 1 1  7  7 PHE HD1  H 1 7.337 0.0025 . 3 . . . A  7 PHE HD1  . 25555 1 
       45 . 1 1  7  7 PHE HD2  H 1 7.337 0.0025 . 3 . . . A  7 PHE HD2  . 25555 1 
       46 . 1 1  8  8 GLY H    H 1 8.449 0.0025 . 1 . . . A  8 GLY H    . 25555 1 
       47 . 1 1  8  8 GLY HA2  H 1 3.860 0.0025 . 2 . . . A  8 GLY HA2  . 25555 1 
       48 . 1 1  8  8 GLY HA3  H 1 3.860 0.0025 . 2 . . . A  8 GLY HA3  . 25555 1 
       49 . 1 1  9  9 HIS H    H 1 8.221 0.0025 . 1 . . . A  9 HIS H    . 25555 1 
       50 . 1 1  9  9 HIS HA   H 1 4.673 0.0025 . 1 . . . A  9 HIS HA   . 25555 1 
       51 . 1 1  9  9 HIS HB2  H 1 3.327 0.0025 . 2 . . . A  9 HIS HB2  . 25555 1 
       52 . 1 1  9  9 HIS HB3  H 1 3.197 0.0025 . 2 . . . A  9 HIS HB3  . 25555 1 
       53 . 1 1  9  9 HIS HD2  H 1 7.241 0.0025 . 1 . . . A  9 HIS HD2  . 25555 1 
       54 . 1 1  9  9 HIS HE1  H 1 8.562 0.0025 . 1 . . . A  9 HIS HE1  . 25555 1 
       55 . 1 1 10 10 ILE H    H 1 7.866 0.0025 . 1 . . . A 10 ILE H    . 25555 1 
       56 . 1 1 10 10 ILE HA   H 1 3.998 0.0025 . 1 . . . A 10 ILE HA   . 25555 1 
       57 . 1 1 10 10 ILE HB   H 1 1.927 0.0025 . 1 . . . A 10 ILE HB   . 25555 1 
       58 . 1 1 10 10 ILE HG12 H 1 1.551 0.0025 . 2 . . . A 10 ILE HG12 . 25555 1 
       59 . 1 1 10 10 ILE HG13 H 1 1.169 0.0025 . 2 . . . A 10 ILE HG13 . 25555 1 
       60 . 1 1 10 10 ILE HG21 H 1 0.885 0.0025 . 1 . . . A 10 ILE MG   . 25555 1 
       61 . 1 1 10 10 ILE HG22 H 1 0.885 0.0025 . 1 . . . A 10 ILE MG   . 25555 1 
       62 . 1 1 10 10 ILE HG23 H 1 0.885 0.0025 . 1 . . . A 10 ILE MG   . 25555 1 
       63 . 1 1 10 10 ILE HD11 H 1 0.825 0.0025 . 1 . . . A 10 ILE MD   . 25555 1 
       64 . 1 1 10 10 ILE HD12 H 1 0.825 0.0025 . 1 . . . A 10 ILE MD   . 25555 1 
       65 . 1 1 10 10 ILE HD13 H 1 0.825 0.0025 . 1 . . . A 10 ILE MD   . 25555 1 
       66 . 1 1 11 11 GLN H    H 1 8.459 0.0025 . 1 . . . A 11 GLN H    . 25555 1 
       67 . 1 1 11 11 GLN HA   H 1 4.216 0.0025 . 1 . . . A 11 GLN HA   . 25555 1 
       68 . 1 1 11 11 GLN HB2  H 1 2.075 0.0025 . 2 . . . A 11 GLN HB2  . 25555 1 
       69 . 1 1 11 11 GLN HB3  H 1 1.981 0.0025 . 2 . . . A 11 GLN HB3  . 25555 1 
       70 . 1 1 11 11 GLN HG2  H 1 2.266 0.0025 . 2 . . . A 11 GLN HG2  . 25555 1 
       71 . 1 1 11 11 GLN HG3  H 1 2.266 0.0025 . 2 . . . A 11 GLN HG3  . 25555 1 
       72 . 1 1 11 11 GLN HE21 H 1 7.279 0.0025 . 2 . . . A 11 GLN HE21 . 25555 1 
       73 . 1 1 11 11 GLN HE22 H 1 6.776 0.0025 . 2 . . . A 11 GLN HE22 . 25555 1 
       74 . 1 1 12 12 VAL H    H 1 7.850 0.0025 . 1 . . . A 12 VAL H    . 25555 1 
       75 . 1 1 12 12 VAL HA   H 1 4.019 0.0025 . 1 . . . A 12 VAL HA   . 25555 1 
       76 . 1 1 12 12 VAL HB   H 1 2.083 0.0025 . 1 . . . A 12 VAL HB   . 25555 1 
       77 . 1 1 12 12 VAL HG11 H 1 0.956 0.0025 . 2 . . . A 12 VAL MG1  . 25555 1 
       78 . 1 1 12 12 VAL HG12 H 1 0.956 0.0025 . 2 . . . A 12 VAL MG1  . 25555 1 
       79 . 1 1 12 12 VAL HG13 H 1 0.956 0.0025 . 2 . . . A 12 VAL MG1  . 25555 1 
       80 . 1 1 12 12 VAL HG21 H 1 0.921 0.0025 . 2 . . . A 12 VAL MG2  . 25555 1 
       81 . 1 1 12 12 VAL HG22 H 1 0.921 0.0025 . 2 . . . A 12 VAL MG2  . 25555 1 
       82 . 1 1 12 12 VAL HG23 H 1 0.921 0.0025 . 2 . . . A 12 VAL MG2  . 25555 1 
       83 . 1 1 13 13 LYS H    H 1 8.056 0.0025 . 1 . . . A 13 LYS H    . 25555 1 
       84 . 1 1 13 13 LYS HA   H 1 4.283 0.0025 . 1 . . . A 13 LYS HA   . 25555 1 
       85 . 1 1 13 13 LYS HB2  H 1 1.796 0.0025 . 2 . . . A 13 LYS HB2  . 25555 1 
       86 . 1 1 13 13 LYS HB3  H 1 1.796 0.0025 . 2 . . . A 13 LYS HB3  . 25555 1 
       87 . 1 1 13 13 LYS HG2  H 1 1.407 0.0025 . 2 . . . A 13 LYS HG2  . 25555 1 
       88 . 1 1 13 13 LYS HG3  H 1 1.407 0.0025 . 2 . . . A 13 LYS HG3  . 25555 1 
       89 . 1 1 13 13 LYS HD2  H 1 1.653 0.0025 . 2 . . . A 13 LYS HD2  . 25555 1 
       90 . 1 1 13 13 LYS HD3  H 1 1.653 0.0025 . 2 . . . A 13 LYS HD3  . 25555 1 
       91 . 1 1 13 13 LYS HE2  H 1 2.938 0.0025 . 2 . . . A 13 LYS HE2  . 25555 1 
       92 . 1 1 13 13 LYS HE3  H 1 2.938 0.0025 . 2 . . . A 13 LYS HE3  . 25555 1 
       93 . 1 1 14 14 VAL H    H 1 7.821 0.0025 . 1 . . . A 14 VAL H    . 25555 1 
       94 . 1 1 14 14 VAL HA   H 1 3.885 0.0025 . 1 . . . A 14 VAL HA   . 25555 1 
       95 . 1 1 14 14 VAL HB   H 1 1.912 0.0025 . 1 . . . A 14 VAL HB   . 25555 1 
       96 . 1 1 14 14 VAL HG11 H 1 0.763 0.0025 . 2 . . . A 14 VAL MG1  . 25555 1 
       97 . 1 1 14 14 VAL HG12 H 1 0.763 0.0025 . 2 . . . A 14 VAL MG1  . 25555 1 
       98 . 1 1 14 14 VAL HG13 H 1 0.763 0.0025 . 2 . . . A 14 VAL MG1  . 25555 1 
       99 . 1 1 14 14 VAL HG21 H 1 0.631 0.0025 . 2 . . . A 14 VAL MG2  . 25555 1 
      100 . 1 1 14 14 VAL HG22 H 1 0.631 0.0025 . 2 . . . A 14 VAL MG2  . 25555 1 
      101 . 1 1 14 14 VAL HG23 H 1 0.631 0.0025 . 2 . . . A 14 VAL MG2  . 25555 1 
      102 . 1 1 15 15 PHE H    H 1 7.973 0.0025 . 1 . . . A 15 PHE H    . 25555 1 
      103 . 1 1 15 15 PHE HA   H 1 4.606 0.0025 . 1 . . . A 15 PHE HA   . 25555 1 
      104 . 1 1 15 15 PHE HB2  H 1 3.203 0.0025 . 2 . . . A 15 PHE HB2  . 25555 1 
      105 . 1 1 15 15 PHE HB3  H 1 2.992 0.0025 . 2 . . . A 15 PHE HB3  . 25555 1 
      106 . 1 1 15 15 PHE HD1  H 1 7.290 0.0025 . 3 . . . A 15 PHE HD1  . 25555 1 
      107 . 1 1 15 15 PHE HD2  H 1 7.290 0.0025 . 3 . . . A 15 PHE HD2  . 25555 1 
      108 . 1 1 15 15 PHE HE1  H 1 7.217 0.0025 . 3 . . . A 15 PHE HE1  . 25555 1 
      109 . 1 1 15 15 PHE HE2  H 1 7.217 0.0025 . 3 . . . A 15 PHE HE2  . 25555 1 
      110 . 1 1 15 15 PHE HZ   H 1 7.132 0.0025 . 1 . . . A 15 PHE HZ   . 25555 1 
      111 . 1 1 16 16 ASN H    H 1 8.253 0.0025 . 1 . . . A 16 ASN H    . 25555 1 
      112 . 1 1 16 16 ASN HA   H 1 4.676 0.0025 . 1 . . . A 16 ASN HA   . 25555 1 
      113 . 1 1 16 16 ASN HB2  H 1 2.769 0.0025 . 2 . . . A 16 ASN HB2  . 25555 1 
      114 . 1 1 16 16 ASN HB3  H 1 2.769 0.0025 . 2 . . . A 16 ASN HB3  . 25555 1 
      115 . 1 1 16 16 ASN HD21 H 1 7.543 0.0025 . 2 . . . A 16 ASN HD21 . 25555 1 
      116 . 1 1 16 16 ASN HD22 H 1 6.829 0.0025 . 2 . . . A 16 ASN HD22 . 25555 1 
      117 . 1 1 17 17 HIS H    H 1 8.335 0.0025 . 1 . . . A 17 HIS H    . 25555 1 
      118 . 1 1 17 17 HIS HA   H 1 4.636 0.0025 . 1 . . . A 17 HIS HA   . 25555 1 
      119 . 1 1 17 17 HIS HB2  H 1 3.330 0.0025 . 2 . . . A 17 HIS HB2  . 25555 1 
      120 . 1 1 17 17 HIS HB3  H 1 3.191 0.0025 . 2 . . . A 17 HIS HB3  . 25555 1 
      121 . 1 1 17 17 HIS HD2  H 1 7.316 0.0025 . 1 . . . A 17 HIS HD2  . 25555 1 
      122 . 1 1 17 17 HIS HE1  H 1 8.616 0.0025 . 1 . . . A 17 HIS HE1  . 25555 1 
      123 . 1 1 18 18 GLY H    H 1 8.395 0.0025 . 1 . . . A 18 GLY H    . 25555 1 
      124 . 1 1 18 18 GLY HA2  H 1 3.892 0.0025 . 2 . . . A 18 GLY HA2  . 25555 1 
      125 . 1 1 18 18 GLY HA3  H 1 3.892 0.0025 . 2 . . . A 18 GLY HA3  . 25555 1 
      126 . 1 1 19 19 GLU H    H 1 8.115 0.0025 . 1 . . . A 19 GLU H    . 25555 1 
      127 . 1 1 19 19 GLU HA   H 1 4.265 0.0025 . 1 . . . A 19 GLU HA   . 25555 1 
      128 . 1 1 19 19 GLU HB2  H 1 1.908 0.0025 . 2 . . . A 19 GLU HB2  . 25555 1 
      129 . 1 1 19 19 GLU HB3  H 1 1.908 0.0025 . 2 . . . A 19 GLU HB3  . 25555 1 
      130 . 1 1 19 19 GLU HG2  H 1 2.284 0.0025 . 2 . . . A 19 GLU HG2  . 25555 1 
      131 . 1 1 19 19 GLU HG3  H 1 2.284 0.0025 . 2 . . . A 19 GLU HG3  . 25555 1 
      132 . 1 1 20 20 HIS H    H 1 8.463 0.0025 . 1 . . . A 20 HIS H    . 25555 1 
      133 . 1 1 20 20 HIS HA   H 1 4.728 0.0025 . 1 . . . A 20 HIS HA   . 25555 1 
      134 . 1 1 20 20 HIS HB2  H 1 3.253 0.0025 . 2 . . . A 20 HIS HB2  . 25555 1 
      135 . 1 1 20 20 HIS HB3  H 1 3.105 0.0025 . 2 . . . A 20 HIS HB3  . 25555 1 
      136 . 1 1 20 20 HIS HD2  H 1 7.265 0.0025 . 1 . . . A 20 HIS HD2  . 25555 1 
      137 . 1 1 20 20 HIS HE1  H 1 8.582 0.0025 . 1 . . . A 20 HIS HE1  . 25555 1 
      138 . 1 1 21 21 ILE H    H 1 8.122 0.0025 . 1 . . . A 21 ILE H    . 25555 1 
      139 . 1 1 21 21 ILE HA   H 1 4.090 0.0025 . 1 . . . A 21 ILE HA   . 25555 1 
      140 . 1 1 21 21 ILE HB   H 1 1.772 0.0025 . 1 . . . A 21 ILE HB   . 25555 1 
      141 . 1 1 21 21 ILE HG12 H 1 1.361 0.0025 . 2 . . . A 21 ILE HG12 . 25555 1 
      142 . 1 1 21 21 ILE HG13 H 1 1.109 0.0025 . 2 . . . A 21 ILE HG13 . 25555 1 
      143 . 1 1 21 21 ILE HG21 H 1 0.754 0.0025 . 1 . . . A 21 ILE MG   . 25555 1 
      144 . 1 1 21 21 ILE HG22 H 1 0.754 0.0025 . 1 . . . A 21 ILE MG   . 25555 1 
      145 . 1 1 21 21 ILE HG23 H 1 0.754 0.0025 . 1 . . . A 21 ILE MG   . 25555 1 
      146 . 1 1 21 21 ILE HD11 H 1 0.780 0.0025 . 1 . . . A 21 ILE MD   . 25555 1 
      147 . 1 1 21 21 ILE HD12 H 1 0.780 0.0025 . 1 . . . A 21 ILE MD   . 25555 1 
      148 . 1 1 21 21 ILE HD13 H 1 0.780 0.0025 . 1 . . . A 21 ILE MD   . 25555 1 
      149 . 1 1 22 22 HIS H    H 1 8.391 0.0025 . 1 . . . A 22 HIS H    . 25555 1 
      150 . 1 1 22 22 HIS HA   H 1 4.688 0.0025 . 1 . . . A 22 HIS HA   . 25555 1 
      151 . 1 1 22 22 HIS HB2  H 1 3.196 0.0025 . 2 . . . A 22 HIS HB2  . 25555 1 
      152 . 1 1 22 22 HIS HB3  H 1 3.196 0.0025 . 2 . . . A 22 HIS HB3  . 25555 1 
      153 . 1 1 22 22 HIS HD2  H 1 7.288 0.0025 . 1 . . . A 22 HIS HD2  . 25555 1 
      154 . 1 1 22 22 HIS HE1  H 1 8.566 0.0025 . 1 . . . A 22 HIS HE1  . 25555 1 
      155 . 1 1 23 23 HIS H    H 1 8.268 0.0025 . 1 . . . A 23 HIS H    . 25555 1 
      156 . 1 1 23 23 HIS HA   H 1 4.449 0.0025 . 1 . . . A 23 HIS HA   . 25555 1 
      157 . 1 1 23 23 HIS HB2  H 1 3.219 0.0025 . 2 . . . A 23 HIS HB2  . 25555 1 
      158 . 1 1 23 23 HIS HB3  H 1 3.076 0.0025 . 2 . . . A 23 HIS HB3  . 25555 1 
      159 . 1 1 23 23 HIS HD2  H 1 7.241 0.0025 . 1 . . . A 23 HIS HD2  . 25555 1 
      160 . 1 1 23 23 HIS HE1  H 1 8.604 0.0025 . 1 . . . A 23 HIS HE1  . 25555 1 

   stop_

save_