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                      20055
   _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_H2O
   _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-13C HSQC' . . . 20055 1 
      2 '2D 1H-1H TOCSY' . . . 20055 1 
      3 '2D 1H-1H NOESY' . . . 20055 1 
      4 '2D 1H-13C HSQC' . . . 20055 1 
      5 '2D 1H-1H NOESY' . . . 20055 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 ACE H1   H  1  2.123 0.001 . 1 . . . .  1 AYA HM1  . 20055 1 
        2 . 1 1  1  1 ACE H2   H  1  2.123 0.001 . 1 . . . .  1 AYA HM2  . 20055 1 
        3 . 1 1  1  1 ACE H3   H  1  2.123 0.001 . 1 . . . .  1 AYA HM3  . 20055 1 
        4 . 1 1  2  2 ALA H    H  1  8.585 0.001 . 1 . . . .  1 AYA H    . 20055 1 
        5 . 1 1  2  2 ALA HA   H  1  4.175 0.001 . 1 . . . .  1 AYA HA   . 20055 1 
        6 . 1 1  2  2 ALA HB1  H  1  1.467 0.001 . 1 . . . .  1 AYA HB1  . 20055 1 
        7 . 1 1  2  2 ALA HB2  H  1  1.467 0.001 . 1 . . . .  1 AYA HB2  . 20055 1 
        8 . 1 1  2  2 ALA HB3  H  1  1.467 0.001 . 1 . . . .  1 AYA HB3  . 20055 1 
        9 . 1 1  2  2 ALA CB   C 13 18.74  0.01  . 1 . . . .  1 AYA CB   . 20055 1 
       10 . 1 1  3  3 LYS H    H  1  8.564 0.001 . 1 . . . .  2 LYS H    . 20055 1 
       11 . 1 1  3  3 LYS HA   H  1  4.225 0.001 . 1 . . . .  2 LYS HA   . 20055 1 
       12 . 1 1  3  3 LYS HB2  H  1  1.820 0.001 . 2 . . . .  2 LYS HB2  . 20055 1 
       13 . 1 1  3  3 LYS HB3  H  1  1.820 0.001 . 2 . . . .  2 LYS HB3  . 20055 1 
       14 . 1 1  3  3 LYS HD2  H  1  1.697 0.001 . 2 . . . .  2 LYS HD2  . 20055 1 
       15 . 1 1  3  3 LYS HD3  H  1  1.697 0.001 . 2 . . . .  2 LYS HD3  . 20055 1 
       16 . 1 1  3  3 LYS HE2  H  1  2.985 0.001 . 2 . . . .  2 LYS HE2  . 20055 1 
       17 . 1 1  3  3 LYS HE3  H  1  2.985 0.001 . 2 . . . .  2 LYS HE3  . 20055 1 
       18 . 1 1  3  3 LYS HG2  H  1  1.520 0.001 . 2 . . . .  2 LYS HG2  . 20055 1 
       19 . 1 1  3  3 LYS HG3  H  1  1.520 0.001 . 2 . . . .  2 LYS HG3  . 20055 1 
       20 . 1 1  3  3 LYS CB   C 13 32.61  0.01  . 1 . . . .  2 LYS CB   . 20055 1 
       21 . 1 1  4  4 ALA H    H  1  8.334 0.001 . 1 . . . .  3 ALA H    . 20055 1 
       22 . 1 1  4  4 ALA HA   H  1  4.335 0.001 . 1 . . . .  3 ALA HA   . 20055 1 
       23 . 1 1  4  4 ALA HB1  H  1  1.554 0.001 . 1 . . . .  3 ALA HB1  . 20055 1 
       24 . 1 1  4  4 ALA HB2  H  1  1.554 0.001 . 1 . . . .  3 ALA HB2  . 20055 1 
       25 . 1 1  4  4 ALA HB3  H  1  1.554 0.001 . 1 . . . .  3 ALA HB3  . 20055 1 
       26 . 1 1  4  4 ALA CB   C 13 18.03  0.01  . 1 . . . .  3 ALA CB   . 20055 1 
       27 . 1 1  5  5 ALA H    H  1  8.513 0.001 . 1 . . . .  4 ALA H    . 20055 1 
       28 . 1 1  5  5 ALA HA   H  1  3.875 0.001 . 1 . . . .  4 ALA HA   . 20055 1 
       29 . 1 1  5  5 ALA HB1  H  1  1.382 0.001 . 1 . . . .  4 ALA HB1  . 20055 1 
       30 . 1 1  5  5 ALA HB2  H  1  1.382 0.001 . 1 . . . .  4 ALA HB2  . 20055 1 
       31 . 1 1  5  5 ALA HB3  H  1  1.382 0.001 . 1 . . . .  4 ALA HB3  . 20055 1 
       32 . 1 1  5  5 ALA CB   C 13 17.38  0.01  . 1 . . . .  4 ALA CB   . 20055 1 
       33 . 1 1  6  6 ALA H    H  1  8.347 0.001 . 1 . . . .  5 ALA H    . 20055 1 
       34 . 1 1  6  6 ALA HA   H  1  3.918 0.001 . 1 . . . .  5 ALA HA   . 20055 1 
       35 . 1 1  6  6 ALA HB1  H  1  1.482 0.001 . 1 . . . .  5 ALA HB1  . 20055 1 
       36 . 1 1  6  6 ALA HB2  H  1  1.482 0.001 . 1 . . . .  5 ALA HB2  . 20055 1 
       37 . 1 1  6  6 ALA HB3  H  1  1.482 0.001 . 1 . . . .  5 ALA HB3  . 20055 1 
       38 . 1 1  6  6 ALA CB   C 13 17.72  0.01  . 1 . . . .  5 ALA CB   . 20055 1 
       39 . 1 1  7  7 ALA H    H  1  7.836 0.001 . 1 . . . .  6 ALA H    . 20055 1 
       40 . 1 1  7  7 ALA HA   H  1  4.170 0.001 . 1 . . . .  6 ALA HA   . 20055 1 
       41 . 1 1  7  7 ALA HB1  H  1  1.516 0.001 . 1 . . . .  6 ALA HB1  . 20055 1 
       42 . 1 1  7  7 ALA HB2  H  1  1.516 0.001 . 1 . . . .  6 ALA HB2  . 20055 1 
       43 . 1 1  7  7 ALA HB3  H  1  1.516 0.001 . 1 . . . .  6 ALA HB3  . 20055 1 
       44 . 1 1  8  8 ALA H    H  1  8.117 0.001 . 1 . . . .  7 ALA H    . 20055 1 
       45 . 1 1  8  8 ALA HA   H  1  4.188 0.001 . 1 . . . .  7 ALA HA   . 20055 1 
       46 . 1 1  8  8 ALA HB1  H  1  1.303 0.001 . 1 . . . .  7 ALA HB1  . 20055 1 
       47 . 1 1  8  8 ALA HB2  H  1  1.303 0.001 . 1 . . . .  7 ALA HB2  . 20055 1 
       48 . 1 1  8  8 ALA HB3  H  1  1.303 0.001 . 1 . . . .  7 ALA HB3  . 20055 1 
       49 . 1 1  8  8 ALA CB   C 13 17.78  0.01  . 1 . . . .  7 ALA CB   . 20055 1 
       50 . 1 1  9  9 ILE H    H  1  8.354 0.001 . 1 . . . .  8 ILE H    . 20055 1 
       51 . 1 1  9  9 ILE HA   H  1  3.672 0.001 . 1 . . . .  8 ILE HA   . 20055 1 
       52 . 1 1  9  9 ILE HB   H  1  1.841 0.001 . 1 . . . .  8 ILE HB   . 20055 1 
       53 . 1 1  9  9 ILE HD11 H  1  0.506 0.001 . 1 . . . .  8 ILE HD11 . 20055 1 
       54 . 1 1  9  9 ILE HD12 H  1  0.506 0.001 . 1 . . . .  8 ILE HD12 . 20055 1 
       55 . 1 1  9  9 ILE HD13 H  1  0.506 0.001 . 1 . . . .  8 ILE HD13 . 20055 1 
       56 . 1 1  9  9 ILE HG12 H  1  1.259 0.001 . 2 . . . .  8 ILE HG12 . 20055 1 
       57 . 1 1  9  9 ILE HG13 H  1  0.992 0.001 . 2 . . . .  8 ILE HG13 . 20055 1 
       58 . 1 1  9  9 ILE HG21 H  1  0.750 0.001 . 1 . . . .  8 ILE HG21 . 20055 1 
       59 . 1 1  9  9 ILE HG22 H  1  0.750 0.001 . 1 . . . .  8 ILE HG22 . 20055 1 
       60 . 1 1  9  9 ILE HG23 H  1  0.750 0.001 . 1 . . . .  8 ILE HG23 . 20055 1 
       61 . 1 1  9  9 ILE CD1  C 13 12.68  0.01  . 1 . . . .  8 ILE CD1  . 20055 1 
       62 . 1 1  9  9 ILE CG2  C 13 18.20  0.01  . 1 . . . .  8 ILE CG2  . 20055 1 
       63 . 1 1 10 10 LYS H    H  1  7.645 0.001 . 1 . . . .  9 LYS H    . 20055 1 
       64 . 1 1 10 10 LYS HA   H  1  4.025 0.001 . 1 . . . .  9 LYS HA   . 20055 1 
       65 . 1 1 10 10 LYS HB2  H  1  1.934 0.001 . 1 . . . .  9 LYS HB2  . 20055 1 
       66 . 1 1 10 10 LYS HB3  H  1  1.619 0.001 . 2 . . . .  9 LYS HB3  . 20055 1 
       67 . 1 1 10 10 LYS HD2  H  1  1.699 0.001 . 2 . . . .  9 LYS HD2  . 20055 1 
       68 . 1 1 10 10 LYS HD3  H  1  1.699 0.001 . 2 . . . .  9 LYS HD3  . 20055 1 
       69 . 1 1 10 10 LYS HE2  H  1  3.003 0.001 . 2 . . . .  9 LYS HE2  . 20055 1 
       70 . 1 1 10 10 LYS HE3  H  1  3.003 0.001 . 2 . . . .  9 LYS HE3  . 20055 1 
       71 . 1 1 10 10 LYS HG2  H  1  1.450 0.01  . 2 . . . .  9 LYS HG2  . 20055 1 
       72 . 1 1 10 10 LYS HG3  H  1  1.450 0.01  . 2 . . . .  9 LYS HG3  . 20055 1 
       73 . 1 1 10 10 LYS CB   C 13 32.42  0.01  . 1 . . . .  9 LYS CB   . 20055 1 
       74 . 1 1 11 11 ALA H    H  1  7.857 0.001 . 1 . . . . 10 ALA H    . 20055 1 
       75 . 1 1 11 11 ALA HA   H  1  4.229 0.001 . 1 . . . . 10 ALA HA   . 20055 1 
       76 . 1 1 11 11 ALA HB1  H  1  1.581 0.001 . 1 . . . . 10 ALA HB1  . 20055 1 
       77 . 1 1 11 11 ALA HB2  H  1  1.581 0.001 . 1 . . . . 10 ALA HB2  . 20055 1 
       78 . 1 1 11 11 ALA HB3  H  1  1.581 0.001 . 1 . . . . 10 ALA HB3  . 20055 1 
       79 . 1 1 11 11 ALA CB   C 13 18.09  0.01  . 1 . . . . 10 ALA CB   . 20055 1 
       80 . 1 1 12 12 ILE H    H  1  8.580 0.001 . 1 . . . . 11 ILE H    . 20055 1 
       81 . 1 1 12 12 ILE HA   H  1  3.553 0.001 . 1 . . . . 11 ILE HA   . 20055 1 
       82 . 1 1 12 12 ILE HB   H  1  2.204 0.001 . 1 . . . . 11 ILE HB   . 20055 1 
       83 . 1 1 12 12 ILE HD11 H  1  0.711 0.001 . 1 . . . . 11 ILE HD11 . 20055 1 
       84 . 1 1 12 12 ILE HD12 H  1  0.711 0.001 . 1 . . . . 11 ILE HD12 . 20055 1 
       85 . 1 1 12 12 ILE HD13 H  1  0.711 0.001 . 1 . . . . 11 ILE HD13 . 20055 1 
       86 . 1 1 12 12 ILE HG12 H  1  1.880 0.001 . 2 . . . . 11 ILE HG12 . 20055 1 
       87 . 1 1 12 12 ILE HG13 H  1  0.911 0.001 . 2 . . . . 11 ILE HG13 . 20055 1 
       88 . 1 1 12 12 ILE HG21 H  1  0.791 0.001 . 1 . . . . 11 ILE HG21 . 20055 1 
       89 . 1 1 12 12 ILE HG22 H  1  0.791 0.001 . 1 . . . . 11 ILE HG22 . 20055 1 
       90 . 1 1 12 12 ILE HG23 H  1  0.791 0.001 . 1 . . . . 11 ILE HG23 . 20055 1 
       91 . 1 1 12 12 ILE CA   C 13 65.64  0.01  . 1 . . . . 11 ILE CA   . 20055 1 
       92 . 1 1 12 12 ILE CD1  C 13 13.89  0.01  . 1 . . . . 11 ILE CD1  . 20055 1 
       93 . 1 1 12 12 ILE CG2  C 13 16.87  0.01  . 1 . . . . 11 ILE CG2  . 20055 1 
       94 . 1 1 13 13 ALA H    H  1  9.064 0.001 . 1 . . . . 12 ALA H    . 20055 1 
       95 . 1 1 13 13 ALA HA   H  1  3.857 0.001 . 1 . . . . 12 ALA HA   . 20055 1 
       96 . 1 1 13 13 ALA HB1  H  1  1.510 0.001 . 1 . . . . 12 ALA HB1  . 20055 1 
       97 . 1 1 13 13 ALA HB2  H  1  1.510 0.001 . 1 . . . . 12 ALA HB2  . 20055 1 
       98 . 1 1 13 13 ALA HB3  H  1  1.510 0.001 . 1 . . . . 12 ALA HB3  . 20055 1 
       99 . 1 1 13 13 ALA CB   C 13 17.90  0.01  . 1 . . . . 12 ALA CB   . 20055 1 
      100 . 1 1 14 14 ALA H    H  1  7.818 0.001 . 1 . . . . 13 ALA H    . 20055 1 
      101 . 1 1 14 14 ALA HA   H  1  4.233 0.001 . 1 . . . . 13 ALA HA   . 20055 1 
      102 . 1 1 14 14 ALA HB1  H  1  1.557 0.001 . 1 . . . . 13 ALA HB1  . 20055 1 
      103 . 1 1 14 14 ALA HB2  H  1  1.557 0.001 . 1 . . . . 13 ALA HB2  . 20055 1 
      104 . 1 1 14 14 ALA HB3  H  1  1.557 0.001 . 1 . . . . 13 ALA HB3  . 20055 1 
      105 . 1 1 14 14 ALA CB   C 13 17.59  0.01  . 1 . . . . 13 ALA CB   . 20055 1 
      106 . 1 1 15 15 ILE H    H  1  7.476 0.001 . 1 . . . . 14 ILE H    . 20055 1 
      107 . 1 1 15 15 ILE HA   H  1  3.783 0.001 . 1 . . . . 14 ILE HA   . 20055 1 
      108 . 1 1 15 15 ILE HB   H  1  2.062 0.001 . 1 . . . . 14 ILE HB   . 20055 1 
      109 . 1 1 15 15 ILE HD11 H  1  0.802 0.001 . 1 . . . . 14 ILE HD11 . 20055 1 
      110 . 1 1 15 15 ILE HD12 H  1  0.802 0.001 . 1 . . . . 14 ILE HD12 . 20055 1 
      111 . 1 1 15 15 ILE HD13 H  1  0.802 0.001 . 1 . . . . 14 ILE HD13 . 20055 1 
      112 . 1 1 15 15 ILE HG12 H  1  1.753 0.001 . 2 . . . . 14 ILE HG12 . 20055 1 
      113 . 1 1 15 15 ILE HG13 H  1  1.202 0.001 . 2 . . . . 14 ILE HG13 . 20055 1 
      114 . 1 1 15 15 ILE HG21 H  1  0.984 0.001 . 1 . . . . 14 ILE HG21 . 20055 1 
      115 . 1 1 15 15 ILE HG22 H  1  0.984 0.001 . 1 . . . . 14 ILE HG22 . 20055 1 
      116 . 1 1 15 15 ILE HG23 H  1  0.984 0.001 . 1 . . . . 14 ILE HG23 . 20055 1 
      117 . 1 1 15 15 ILE CA   C 13 64.55  0.01  . 1 . . . . 14 ILE CA   . 20055 1 
      118 . 1 1 15 15 ILE CD1  C 13 14.50  0.01  . 1 . . . . 14 ILE CD1  . 20055 1 
      119 . 1 1 15 15 ILE CG2  C 13 16.90  0.01  . 1 . . . . 14 ILE CG2  . 20055 1 
      120 . 1 1 16 16 ILE H    H  1  8.019 0.001 . 1 . . . . 15 ILE H    . 20055 1 
      121 . 1 1 16 16 ILE HA   H  1  3.782 0.001 . 1 . . . . 15 ILE HA   . 20055 1 
      122 . 1 1 16 16 ILE HB   H  1  2.252 0.001 . 1 . . . . 15 ILE HB   . 20055 1 
      123 . 1 1 16 16 ILE HD11 H  1  0.676 0.001 . 1 . . . . 15 ILE HD11 . 20055 1 
      124 . 1 1 16 16 ILE HD12 H  1  0.676 0.001 . 1 . . . . 15 ILE HD12 . 20055 1 
      125 . 1 1 16 16 ILE HD13 H  1  0.676 0.001 . 1 . . . . 15 ILE HD13 . 20055 1 
      126 . 1 1 16 16 ILE HG12 H  1  1.582 0.001 . 2 . . . . 15 ILE HG12 . 20055 1 
      127 . 1 1 16 16 ILE HG13 H  1  1.334 0.001 . 2 . . . . 15 ILE HG13 . 20055 1 
      128 . 1 1 16 16 ILE HG21 H  1  0.932 0.001 . 1 . . . . 15 ILE HG21 . 20055 1 
      129 . 1 1 16 16 ILE HG22 H  1  0.932 0.001 . 1 . . . . 15 ILE HG22 . 20055 1 
      130 . 1 1 16 16 ILE HG23 H  1  0.932 0.001 . 1 . . . . 15 ILE HG23 . 20055 1 
      131 . 1 1 16 16 ILE CD1  C 13 10.55  0.01  . 1 . . . . 15 ILE CD1  . 20055 1 
      132 . 1 1 16 16 ILE CG2  C 13 17.28  0.01  . 1 . . . . 15 ILE CG2  . 20055 1 
      133 . 1 1 17 17 LYS H    H  1  8.421 0.001 . 1 . . . . 16 LYS H    . 20055 1 
      134 . 1 1 17 17 LYS HA   H  1  4.145 0.001 . 1 . . . . 16 LYS HA   . 20055 1 
      135 . 1 1 17 17 LYS HB2  H  1  1.890 0.001 . 2 . . . . 16 LYS HB2  . 20055 1 
      136 . 1 1 17 17 LYS HB3  H  1  1.966 0.001 . 2 . . . . 16 LYS HB3  . 20055 1 
      137 . 1 1 17 17 LYS HD2  H  1  1.693 0.001 . 2 . . . . 16 LYS HD2  . 20055 1 
      138 . 1 1 17 17 LYS HD3  H  1  1.693 0.001 . 2 . . . . 16 LYS HD3  . 20055 1 
      139 . 1 1 17 17 LYS HE2  H  1  2.974 0.001 . 2 . . . . 16 LYS HE2  . 20055 1 
      140 . 1 1 17 17 LYS HE3  H  1  2.974 0.001 . 2 . . . . 16 LYS HE3  . 20055 1 
      141 . 1 1 17 17 LYS CB   C 13 32.10  0.01  . 1 . . . . 16 LYS CB   . 20055 1 
      142 . 1 1 18 18 ALA H    H  1  8.318 0.001 . 1 . . . . 17 ALA H    . 20055 1 
      143 . 1 1 18 18 ALA HA   H  1  4.169 0.001 . 1 . . . . 17 ALA HA   . 20055 1 
      144 . 1 1 18 18 ALA HB1  H  1  1.514 0.001 . 1 . . . . 17 ALA HB1  . 20055 1 
      145 . 1 1 18 18 ALA HB2  H  1  1.514 0.001 . 1 . . . . 17 ALA HB2  . 20055 1 
      146 . 1 1 18 18 ALA HB3  H  1  1.514 0.001 . 1 . . . . 17 ALA HB3  . 20055 1 
      147 . 1 1 18 18 ALA CB   C 13 17.90  0.01  . 1 . . . . 17 ALA CB   . 20055 1 
      148 . 1 1 19 19 GLY H    H  1  7.579 0.001 . 1 . . . . 18 GLY H    . 20055 1 
      149 . 1 1 19 19 GLY HA2  H  1  4.175 0.001 . 2 . . . . 18 GLY HA2  . 20055 1 
      150 . 1 1 19 19 GLY HA3  H  1  3.547 0.001 . 2 . . . . 18 GLY HA3  . 20055 1 
      151 . 1 1 20 20 GLY H    H  1  7.741 0.001 . 1 . . . . 19 GLY H    . 20055 1 
      152 . 1 1 20 20 GLY HA2  H  1  3.825 0.001 . 2 . . . . 19 GLY HA2  . 20055 1 
      153 . 1 1 20 20 GLY HA3  H  1  3.873 0.001 . 2 . . . . 19 GLY HA3  . 20055 1 
      154 . 1 1 21 21 HIS H    H  1  7.799 0.001 . 1 . . . . 20 HIA H    . 20055 1 
      155 . 1 1 21 21 HIS HA   H  1  4.454 0.001 . 1 . . . . 20 HIA HA   . 20055 1 
      156 . 1 1 21 21 HIS HB2  H  1  3.065 0.001 . 2 . . . . 20 HIA HB2  . 20055 1 
      157 . 1 1 21 21 HIS HB3  H  1  2.957 0.001 . 2 . . . . 20 HIA HB3  . 20055 1 
      158 . 1 1 21 21 HIS HD2  H  1  7.022 0.001 . 1 . . . . 20 HIA HD2  . 20055 1 
      159 . 1 1 21 21 HIS HE1  H  1  7.625 0.001 . 1 . . . . 20 HIA HE1  . 20055 1 
      160 . 1 1 22 22 NH2 HN1  H  1  7.745 0.001 . 1 . . . . 20 HIA HXT1 . 20055 1 
      161 . 1 1 22 22 NH2 HN2  H  1  7.745 0.001 . 1 . . . . 20 HIA HXT2 . 20055 1 

   stop_

save_