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                      18809
   _Assigned_chem_shift_list.ID                            1
   _Assigned_chem_shift_list.Sample_condition_list_ID      1
   _Assigned_chem_shift_list.Sample_condition_list_label  $300K
   _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' . . . 18809 1 
      2 '2D 1H-1H NOESY' . . . 18809 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 ASP HA   H 1 4.435 0.004 . 1 . . . A 59 ASP HA   . 18809 1 
        2 . 1 1  1  1 ASP HB2  H 1 2.962 0.004 . 2 . . . A 59 ASP HB2  . 18809 1 
        3 . 1 1  1  1 ASP HB3  H 1 3.066 0.004 . 2 . . . A 59 ASP HB3  . 18809 1 
        4 . 1 1  2  2 THR H    H 1 8.552 0.002 . 1 . . . A 60 THR HN   . 18809 1 
        5 . 1 1  2  2 THR HA   H 1 4.521 0.004 . 1 . . . A 60 THR HA   . 18809 1 
        6 . 1 1  2  2 THR HG21 H 1 1.322 0.004 . 1 . . . A 60 THR HG21 . 18809 1 
        7 . 1 1  2  2 THR HG22 H 1 1.322 0.004 . 1 . . . A 60 THR HG22 . 18809 1 
        8 . 1 1  2  2 THR HG23 H 1 1.322 0.004 . 1 . . . A 60 THR HG23 . 18809 1 
        9 . 1 1  3  3 LEU H    H 1 8.498 0.002 . 1 . . . A 61 LEU HN   . 18809 1 
       10 . 1 1  3  3 LEU HA   H 1 4.178 0.005 . 1 . . . A 61 LEU HA   . 18809 1 
       11 . 1 1  3  3 LEU HB2  H 1 1.708 0.005 . 1 . . . A 61 LEU HB2  . 18809 1 
       12 . 1 1  3  3 LEU HB3  H 1 1.736 0.005 . 1 . . . A 61 LEU HB3  . 18809 1 
       13 . 1 1  3  3 LEU HG   H 1 1.708 0.005 . 1 . . . A 61 LEU HG   . 18809 1 
       14 . 1 1  3  3 LEU HD11 H 1 0.991 0.002 . 2 . . . A 61 LEU HD11 . 18809 1 
       15 . 1 1  3  3 LEU HD12 H 1 0.991 0.002 . 2 . . . A 61 LEU HD12 . 18809 1 
       16 . 1 1  3  3 LEU HD13 H 1 0.991 0.002 . 2 . . . A 61 LEU HD13 . 18809 1 
       17 . 1 1  3  3 LEU HD21 H 1 0.943 0.002 . 2 . . . A 61 LEU HD21 . 18809 1 
       18 . 1 1  3  3 LEU HD22 H 1 0.943 0.002 . 2 . . . A 61 LEU HD22 . 18809 1 
       19 . 1 1  3  3 LEU HD23 H 1 0.943 0.002 . 2 . . . A 61 LEU HD23 . 18809 1 
       20 . 1 1  4  4 LEU H    H 1 8.050 0.002 . 1 . . . A 62 LEU HN   . 18809 1 
       21 . 1 1  4  4 LEU HA   H 1 4.135 0.003 . 1 . . . A 62 LEU HA   . 18809 1 
       22 . 1 1  4  4 LEU HB2  H 1 1.668 0.005 . 1 . . . A 62 LEU HB2  . 18809 1 
       23 . 1 1  4  4 LEU HB3  H 1 1.668 0.005 . 1 . . . A 62 LEU HB3  . 18809 1 
       24 . 1 1  4  4 LEU HG   H 1 1.642 0.005 . 1 . . . A 62 LEU HG   . 18809 1 
       25 . 1 1  4  4 LEU HD11 H 1 0.930 0.002 . 2 . . . A 62 LEU HD11 . 18809 1 
       26 . 1 1  4  4 LEU HD12 H 1 0.930 0.002 . 2 . . . A 62 LEU HD12 . 18809 1 
       27 . 1 1  4  4 LEU HD13 H 1 0.930 0.002 . 2 . . . A 62 LEU HD13 . 18809 1 
       28 . 1 1  4  4 LEU HD21 H 1 0.980 0.002 . 2 . . . A 62 LEU HD21 . 18809 1 
       29 . 1 1  4  4 LEU HD22 H 1 0.980 0.002 . 2 . . . A 62 LEU HD22 . 18809 1 
       30 . 1 1  4  4 LEU HD23 H 1 0.980 0.002 . 2 . . . A 62 LEU HD23 . 18809 1 
       31 . 1 1  5  5 GLY H    H 1 8.166 0.002 . 1 . . . A 63 GLY HN   . 18809 1 
       32 . 1 1  5  5 GLY HA2  H 1 3.971 0.004 . 2 . . . A 63 GLY HA2  . 18809 1 
       33 . 1 1  5  5 GLY HA3  H 1 3.765 0.004 . 2 . . . A 63 GLY HA3  . 18809 1 
       34 . 1 1  6  6 ARG H    H 1 7.874 0.002 . 1 . . . A 64 ARG HN   . 18809 1 
       35 . 1 1  6  6 ARG HA   H 1 4.270 0.004 . 1 . . . A 64 ARG HA   . 18809 1 
       36 . 1 1  6  6 ARG HB2  H 1 1.967 0.005 . 1 . . . A 64 ARG HB2  . 18809 1 
       37 . 1 1  6  6 ARG HB3  H 1 1.967 0.005 . 1 . . . A 64 ARG HB3  . 18809 1 
       38 . 1 1  6  6 ARG HG2  H 1 1.738 0.003 . 2 . . . A 64 ARG HG2  . 18809 1 
       39 . 1 1  6  6 ARG HG3  H 1 1.824 0.003 . 2 . . . A 64 ARG HG3  . 18809 1 
       40 . 1 1  6  6 ARG HD2  H 1 3.212 0.003 . 1 . . . A 64 ARG HD2  . 18809 1 
       41 . 1 1  6  6 ARG HD3  H 1 3.212 0.003 . 1 . . . A 64 ARG HD3  . 18809 1 
       42 . 1 1  6  6 ARG HE   H 1 7.392 0.002 . 1 . . . A 64 ARG HE   . 18809 1 
       43 . 1 1  7  7 MET H    H 1 7.997 0.002 . 1 . . . A 65 MET HN   . 18809 1 
       44 . 1 1  7  7 MET HA   H 1 4.521 0.004 . 1 . . . A 65 MET HA   . 18809 1 
       45 . 1 1  7  7 MET HB2  H 1 2.169 0.004 . 1 . . . A 65 MET HB2  . 18809 1 
       46 . 1 1  7  7 MET HB3  H 1 2.169 0.004 . 1 . . . A 65 MET HB3  . 18809 1 
       47 . 1 1  7  7 MET HG2  H 1 2.706 0.004 . 2 . . . A 65 MET HG2  . 18809 1 
       48 . 1 1  7  7 MET HG3  H 1 2.586 0.004 . 2 . . . A 65 MET HG3  . 18809 1 
       49 . 1 1  8  8 LEU H    H 1 8.110 0.002 . 1 . . . A 66 LEU HN   . 18809 1 
       50 . 1 1  8  8 LEU HA   H 1 4.380 0.003 . 1 . . . A 66 LEU HA   . 18809 1 
       51 . 1 1  8  8 LEU HB2  H 1 1.769 0.005 . 1 . . . A 66 LEU HB2  . 18809 1 
       52 . 1 1  8  8 LEU HB3  H 1 1.914 0.005 . 1 . . . A 66 LEU HB3  . 18809 1 
       53 . 1 1  8  8 LEU HG   H 1 1.796 0.005 . 1 . . . A 66 LEU HG   . 18809 1 
       54 . 1 1  8  8 LEU HD11 H 1 0.995 0.002 . 2 . . . A 66 LEU HD11 . 18809 1 
       55 . 1 1  8  8 LEU HD12 H 1 0.995 0.002 . 2 . . . A 66 LEU HD12 . 18809 1 
       56 . 1 1  8  8 LEU HD13 H 1 0.995 0.002 . 2 . . . A 66 LEU HD13 . 18809 1 
       57 . 1 1  8  8 LEU HD21 H 1 0.960 0.002 . 2 . . . A 66 LEU HD21 . 18809 1 
       58 . 1 1  8  8 LEU HD22 H 1 0.960 0.002 . 2 . . . A 66 LEU HD22 . 18809 1 
       59 . 1 1  8  8 LEU HD23 H 1 0.960 0.002 . 2 . . . A 66 LEU HD23 . 18809 1 
       60 . 1 1  9  9 PRO HA   H 1 4.269 0.005 . 1 . . . A 67 PRO HA   . 18809 1 
       61 . 1 1  9  9 PRO HB2  H 1 1.897 0.005 . 2 . . . A 67 PRO HB2  . 18809 1 
       62 . 1 1  9  9 PRO HB3  H 1 2.355 0.005 . 2 . . . A 67 PRO HB3  . 18809 1 
       63 . 1 1  9  9 PRO HG2  H 1 2.200 0.005 . 2 . . . A 67 PRO HG2  . 18809 1 
       64 . 1 1  9  9 PRO HG3  H 1 1.996 0.005 . 2 . . . A 67 PRO HG3  . 18809 1 
       65 . 1 1  9  9 PRO HD2  H 1 3.764 0.004 . 2 . . . A 67 PRO HD2  . 18809 1 
       66 . 1 1  9  9 PRO HD3  H 1 3.810 0.004 . 2 . . . A 67 PRO HD3  . 18809 1 
       67 . 1 1 10 10 GLN H    H 1 7.869 0.002 . 1 . . . A 68 GLN HN   . 18809 1 
       68 . 1 1 10 10 GLN HA   H 1 4.023 0.004 . 1 . . . A 68 GLN HA   . 18809 1 
       69 . 1 1 10 10 GLN HB2  H 1 2.151 0.004 . 2 . . . A 68 GLN HB2  . 18809 1 
       70 . 1 1 10 10 GLN HB3  H 1 2.288 0.004 . 2 . . . A 68 GLN HB3  . 18809 1 
       71 . 1 1 10 10 GLN HG2  H 1 2.446 0.004 . 2 . . . A 68 GLN HG2  . 18809 1 
       72 . 1 1 10 10 GLN HG3  H 1 2.480 0.004 . 2 . . . A 68 GLN HG3  . 18809 1 
       73 . 1 1 10 10 GLN HE21 H 1 6.964 0.005 . 2 . . . A 68 GLN HE21 . 18809 1 
       74 . 1 1 10 10 GLN HE22 H 1 7.590 0.005 . 2 . . . A 68 GLN HE22 . 18809 1 
       75 . 1 1 11 11 LEU H    H 1 8.025 0.002 . 1 . . . A 69 LEU HN   . 18809 1 
       76 . 1 1 11 11 LEU HA   H 1 4.074 0.004 . 1 . . . A 69 LEU HA   . 18809 1 
       77 . 1 1 11 11 LEU HB2  H 1 1.794 0.003 . 2 . . . A 69 LEU HB2  . 18809 1 
       78 . 1 1 11 11 LEU HB3  H 1 1.896 0.003 . 2 . . . A 69 LEU HB3  . 18809 1 
       79 . 1 1 11 11 LEU HG   H 1 1.640 0.008 . 1 . . . A 69 LEU HG   . 18809 1 
       80 . 1 1 11 11 LEU HD11 H 1 0.924 0.002 . 2 . . . A 69 LEU HD11 . 18809 1 
       81 . 1 1 11 11 LEU HD12 H 1 0.924 0.002 . 2 . . . A 69 LEU HD12 . 18809 1 
       82 . 1 1 11 11 LEU HD13 H 1 0.924 0.002 . 2 . . . A 69 LEU HD13 . 18809 1 
       83 . 1 1 11 11 LEU HD21 H 1 0.951 0.002 . 2 . . . A 69 LEU HD21 . 18809 1 
       84 . 1 1 11 11 LEU HD22 H 1 0.951 0.002 . 2 . . . A 69 LEU HD22 . 18809 1 
       85 . 1 1 11 11 LEU HD23 H 1 0.951 0.002 . 2 . . . A 69 LEU HD23 . 18809 1 
       86 . 1 1 12 12 VAL H    H 1 8.246 0.002 . 1 . . . A 70 VAL HN   . 18809 1 
       87 . 1 1 12 12 VAL HA   H 1 3.551 0.002 . 1 . . . A 70 VAL HA   . 18809 1 
       88 . 1 1 12 12 VAL HB   H 1 2.221 0.002 . 1 . . . A 70 VAL HB   . 18809 1 
       89 . 1 1 12 12 VAL HG11 H 1 0.964 0.002 . 2 . . . A 70 VAL HG11 . 18809 1 
       90 . 1 1 12 12 VAL HG12 H 1 0.964 0.002 . 2 . . . A 70 VAL HG12 . 18809 1 
       91 . 1 1 12 12 VAL HG13 H 1 0.964 0.002 . 2 . . . A 70 VAL HG13 . 18809 1 
       92 . 1 1 12 12 VAL HG21 H 1 1.060 0.002 . 2 . . . A 70 VAL HG21 . 18809 1 
       93 . 1 1 12 12 VAL HG22 H 1 1.060 0.002 . 2 . . . A 70 VAL HG22 . 18809 1 
       94 . 1 1 12 12 VAL HG23 H 1 1.060 0.002 . 2 . . . A 70 VAL HG23 . 18809 1 
       95 . 1 1 13 13 CYS H    H 1 8.148 0.002 . 1 . . . A 71 CYS HN   . 18809 1 
       96 . 1 1 13 13 CYS HA   H 1 3.998 0.005 . 1 . . . A 71 CYS HA   . 18809 1 
       97 . 1 1 13 13 CYS HB2  H 1 2.856 0.002 . 2 . . . A 71 CYS HB2  . 18809 1 
       98 . 1 1 13 13 CYS HB3  H 1 3.120 0.004 . 2 . . . A 71 CYS HB3  . 18809 1 
       99 . 1 1 13 13 CYS HG   H 1 2.502 0.004 . 1 . . . A 71 CYS HG   . 18809 1 
      100 . 1 1 14 14 ARG H    H 1 8.078 0.002 . 1 . . . A 72 ARG HN   . 18809 1 
      101 . 1 1 14 14 ARG HA   H 1 3.960 0.004 . 1 . . . A 72 ARG HA   . 18809 1 
      102 . 1 1 14 14 ARG HB2  H 1 1.990 0.004 . 2 . . . A 72 ARG HB2  . 18809 1 
      103 . 1 1 14 14 ARG HB3  H 1 2.042 0.004 . 2 . . . A 72 ARG HB3  . 18809 1 
      104 . 1 1 14 14 ARG HG2  H 1 1.684 0.004 . 1 . . . A 72 ARG HG2  . 18809 1 
      105 . 1 1 14 14 ARG HG3  H 1 1.684 0.004 . 1 . . . A 72 ARG HG3  . 18809 1 
      106 . 1 1 14 14 ARG HD2  H 1 3.200 0.004 . 1 . . . A 72 ARG HD2  . 18809 1 
      107 . 1 1 14 14 ARG HD3  H 1 3.200 0.004 . 1 . . . A 72 ARG HD3  . 18809 1 
      108 . 1 1 14 14 ARG HE   H 1 7.575 0.003 . 1 . . . A 72 ARG HE   . 18809 1 
      109 . 1 1 15 15 LEU H    H 1 8.174 0.002 . 1 . . . A 73 LEU HN   . 18809 1 
      110 . 1 1 15 15 LEU HA   H 1 4.090 0.004 . 1 . . . A 73 LEU HA   . 18809 1 
      111 . 1 1 15 15 LEU HB2  H 1 1.750 0.004 . 2 . . . A 73 LEU HB2  . 18809 1 
      112 . 1 1 15 15 LEU HB3  H 1 1.935 0.004 . 2 . . . A 73 LEU HB3  . 18809 1 
      113 . 1 1 15 15 LEU HG   H 1 1.821 0.003 . 1 . . . A 73 LEU HG   . 18809 1 
      114 . 1 1 15 15 LEU HD11 H 1 0.890 0.002 . 2 . . . A 73 LEU HD11 . 18809 1 
      115 . 1 1 15 15 LEU HD12 H 1 0.890 0.002 . 2 . . . A 73 LEU HD12 . 18809 1 
      116 . 1 1 15 15 LEU HD13 H 1 0.890 0.002 . 2 . . . A 73 LEU HD13 . 18809 1 
      117 . 1 1 15 15 LEU HD21 H 1 0.913 0.002 . 2 . . . A 73 LEU HD21 . 18809 1 
      118 . 1 1 15 15 LEU HD22 H 1 0.913 0.002 . 2 . . . A 73 LEU HD22 . 18809 1 
      119 . 1 1 15 15 LEU HD23 H 1 0.913 0.002 . 2 . . . A 73 LEU HD23 . 18809 1 
      120 . 1 1 16 16 VAL H    H 1 8.403 0.002 . 1 . . . A 74 VAL HN   . 18809 1 
      121 . 1 1 16 16 VAL HA   H 1 3.590 0.003 . 1 . . . A 74 VAL HA   . 18809 1 
      122 . 1 1 16 16 VAL HB   H 1 2.248 0.002 . 1 . . . A 74 VAL HB   . 18809 1 
      123 . 1 1 16 16 VAL HG11 H 1 0.950 0.002 . 2 . . . A 74 VAL HG11 . 18809 1 
      124 . 1 1 16 16 VAL HG12 H 1 0.950 0.002 . 2 . . . A 74 VAL HG12 . 18809 1 
      125 . 1 1 16 16 VAL HG13 H 1 0.950 0.002 . 2 . . . A 74 VAL HG13 . 18809 1 
      126 . 1 1 16 16 VAL HG21 H 1 1.093 0.002 . 2 . . . A 74 VAL HG21 . 18809 1 
      127 . 1 1 16 16 VAL HG22 H 1 1.093 0.002 . 2 . . . A 74 VAL HG22 . 18809 1 
      128 . 1 1 16 16 VAL HG23 H 1 1.093 0.002 . 2 . . . A 74 VAL HG23 . 18809 1 
      129 . 1 1 17 17 LEU H    H 1 8.273 0.002 . 1 . . . A 75 LEU HN   . 18809 1 
      130 . 1 1 17 17 LEU HA   H 1 4.083 0.004 . 1 . . . A 75 LEU HA   . 18809 1 
      131 . 1 1 17 17 LEU HB2  H 1 1.634 0.004 . 2 . . . A 75 LEU HB2  . 18809 1 
      132 . 1 1 17 17 LEU HB3  H 1 1.910 0.004 . 2 . . . A 75 LEU HB3  . 18809 1 
      133 . 1 1 17 17 LEU HG   H 1 1.869 0.004 . 1 . . . A 75 LEU HG   . 18809 1 
      134 . 1 1 17 17 LEU HD11 H 1 0.907 0.002 . 2 . . . A 75 LEU HD11 . 18809 1 
      135 . 1 1 17 17 LEU HD12 H 1 0.907 0.002 . 2 . . . A 75 LEU HD12 . 18809 1 
      136 . 1 1 17 17 LEU HD13 H 1 0.907 0.002 . 2 . . . A 75 LEU HD13 . 18809 1 
      137 . 1 1 17 17 LEU HD21 H 1 0.883 0.002 . 2 . . . A 75 LEU HD21 . 18809 1 
      138 . 1 1 17 17 LEU HD22 H 1 0.883 0.002 . 2 . . . A 75 LEU HD22 . 18809 1 
      139 . 1 1 17 17 LEU HD23 H 1 0.883 0.002 . 2 . . . A 75 LEU HD23 . 18809 1 
      140 . 1 1 18 18 ARG H    H 1 8.310 0.002 . 1 . . . A 76 ARG HN   . 18809 1 
      141 . 1 1 18 18 ARG HA   H 1 4.106 0.005 . 1 . . . A 76 ARG HA   . 18809 1 
      142 . 1 1 18 18 ARG HB2  H 1 2.080 0.002 . 1 . . . A 76 ARG HB2  . 18809 1 
      143 . 1 1 18 18 ARG HB3  H 1 2.080 0.002 . 1 . . . A 76 ARG HB3  . 18809 1 
      144 . 1 1 18 18 ARG HG2  H 1 1.773 0.004 . 2 . . . A 76 ARG HG2  . 18809 1 
      145 . 1 1 18 18 ARG HG3  H 1 1.856 0.004 . 2 . . . A 76 ARG HG3  . 18809 1 
      146 . 1 1 18 18 ARG HD2  H 1 3.204 0.005 . 2 . . . A 76 ARG HD2  . 18809 1 
      147 . 1 1 18 18 ARG HD3  H 1 3.292 0.005 . 2 . . . A 76 ARG HD3  . 18809 1 
      148 . 1 1 18 18 ARG HE   H 1 7.500 0.003 . 1 . . . A 76 ARG HE   . 18809 1 
      149 . 1 1 19 19 CYS H    H 1 8.138 0.002 . 1 . . . A 77 CYS HN   . 18809 1 
      150 . 1 1 19 19 CYS HA   H 1 4.313 0.005 . 1 . . . A 77 CYS HA   . 18809 1 
      151 . 1 1 19 19 CYS HB2  H 1 2.932 0.004 . 2 . . . A 77 CYS HB2  . 18809 1 
      152 . 1 1 19 19 CYS HB3  H 1 3.080 0.004 . 2 . . . A 77 CYS HB3  . 18809 1 
      153 . 1 1 19 19 CYS HG   H 1 2.670 0.002 . 1 . . . A 77 CYS HG   . 18809 1 
      154 . 1 1 20 20 SER H    H 1 7.898 0.002 . 1 . . . A 78 SER HN   . 18809 1 
      155 . 1 1 20 20 SER HA   H 1 4.370 0.004 . 1 . . . A 78 SER HA   . 18809 1 
      156 . 1 1 20 20 SER HB2  H 1 3.920 0.004 . 2 . . . A 78 SER HB2  . 18809 1 
      157 . 1 1 20 20 SER HB3  H 1 4.005 0.004 . 2 . . . A 78 SER HB3  . 18809 1 
      158 . 1 1 21 21 MET H    H 1 7.665 0.002 . 1 . . . A 79 MET HN   . 18809 1 
      159 . 1 1 21 21 MET HA   H 1 4.517 0.004 . 1 . . . A 79 MET HA   . 18809 1 
      160 . 1 1 21 21 MET HB2  H 1 2.070 0.004 . 2 . . . A 79 MET HB2  . 18809 1 
      161 . 1 1 21 21 MET HB3  H 1 2.184 0.004 . 2 . . . A 79 MET HB3  . 18809 1 
      162 . 1 1 21 21 MET HG2  H 1 2.564 0.004 . 2 . . . A 79 MET HG2  . 18809 1 
      163 . 1 1 21 21 MET HG3  H 1 2.705 0.004 . 2 . . . A 79 MET HG3  . 18809 1 
      164 . 1 1 22 22 ASP H    H 1 7.944 0.002 . 1 . . . A 80 ASP HN   . 18809 1 
      165 . 1 1 22 22 ASP HA   H 1 4.763 0.004 . 1 . . . A 80 ASP HA   . 18809 1 
      166 . 1 1 22 22 ASP HB2  H 1 2.850 0.005 . 2 . . . A 80 ASP HB2  . 18809 1 
      167 . 1 1 22 22 ASP HB3  H 1 2.936 0.005 . 2 . . . A 80 ASP HB3  . 18809 1 

   stop_

save_