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                      17662
   _Assigned_chem_shift_list.ID                            1
   _Assigned_chem_shift_list.Sample_condition_list_ID      1
   _Assigned_chem_shift_list.Sample_condition_list_label  $sample_25C
   _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 COSY'  . . . 17662 1 
      2 '2D 1H-1H TOCSY' . . . 17662 1 
      3 '2D 1H-1H NOESY' . . . 17662 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 CYS HA   H 1  4.319 . . 1 . . . .  1 CYS HA   . 17662 1 
        2 . 1 1  1  1 CYS HB2  H 1  3.318 . . 2 . . . .  1 CYS HB2  . 17662 1 
        3 . 1 1  1  1 CYS HB3  H 1  3.272 . . 2 . . . .  1 CYS HB3  . 17662 1 
        4 . 1 1  2  2 SER H    H 1  8.891 . . 1 . . . .  2 SER HN   . 17662 1 
        5 . 1 1  2  2 SER HA   H 1  4.658 . . 1 . . . .  2 SER HA   . 17662 1 
        6 . 1 1  2  2 SER HB2  H 1  3.776 . . 2 . . . .  2 SER HB2  . 17662 1 
        7 . 1 1  2  2 SER HB3  H 1  3.776 . . 2 . . . .  2 SER HB3  . 17662 1 
        8 . 1 1  3  3 CYS H    H 1  8.399 . . 1 . . . .  3 CYS HN   . 17662 1 
        9 . 1 1  3  3 CYS HA   H 1  4.800 . . 1 . . . .  3 CYS HA   . 17662 1 
       10 . 1 1  3  3 CYS HB2  H 1  3.169 . . 2 . . . .  3 CYS HB2  . 17662 1 
       11 . 1 1  3  3 CYS HB3  H 1  2.768 . . 2 . . . .  3 CYS HB3  . 17662 1 
       12 . 1 1  4  4 ASN H    H 1  8.728 . . 1 . . . .  4 ASN HN   . 17662 1 
       13 . 1 1  4  4 ASN HA   H 1  4.587 . . 1 . . . .  4 ASN HA   . 17662 1 
       14 . 1 1  4  4 ASN HB2  H 1  2.763 . . 2 . . . .  4 ASN HB2  . 17662 1 
       15 . 1 1  4  4 ASN HB3  H 1  2.763 . . 2 . . . .  4 ASN HB3  . 17662 1 
       16 . 1 1  4  4 ASN HD21 H 1  6.875 . . 2 . . . .  4 ASN HD21 . 17662 1 
       17 . 1 1  4  4 ASN HD22 H 1  7.569 . . 2 . . . .  4 ASN HD22 . 17662 1 
       18 . 1 1  5  5 ASP H    H 1  8.095 . . 1 . . . .  5 ASP HN   . 17662 1 
       19 . 1 1  5  5 ASP HA   H 1  4.734 . . 1 . . . .  5 ASP HA   . 17662 1 
       20 . 1 1  5  5 ASP HB2  H 1  2.938 . . 2 . . . .  5 ASP HB2  . 17662 1 
       21 . 1 1  5  5 ASP HB3  H 1  2.780 . . 2 . . . .  5 ASP HB3  . 17662 1 
       22 . 1 1  6  6 ILE H    H 1  8.163 . . 1 . . . .  6 ILE HN   . 17662 1 
       23 . 1 1  6  6 ILE HA   H 1  4.147 . . 1 . . . .  6 ILE HA   . 17662 1 
       24 . 1 1  6  6 ILE HB   H 1  1.896 . . 1 . . . .  6 ILE HB   . 17662 1 
       25 . 1 1  6  6 ILE HG12 H 1  1.325 . . 9 . . . .  6 ILE HG12 . 17662 1 
       26 . 1 1  6  6 ILE HG13 H 1  1.170 . . 9 . . . .  6 ILE HG13 . 17662 1 
       27 . 1 1  6  6 ILE HG21 H 1  0.881 . . 4 . . . .  6 ILE HG21 . 17662 1 
       28 . 1 1  6  6 ILE HG22 H 1  0.881 . . 4 . . . .  6 ILE HG22 . 17662 1 
       29 . 1 1  6  6 ILE HG23 H 1  0.881 . . 4 . . . .  6 ILE HG23 . 17662 1 
       30 . 1 1  6  6 ILE HD11 H 1  0.807 . . 1 . . . .  6 ILE HD11 . 17662 1 
       31 . 1 1  6  6 ILE HD12 H 1  0.807 . . 1 . . . .  6 ILE HD12 . 17662 1 
       32 . 1 1  6  6 ILE HD13 H 1  0.807 . . 1 . . . .  6 ILE HD13 . 17662 1 
       33 . 1 1  7  7 ASN H    H 1  8.094 . . 1 . . . .  7 ASN HN   . 17662 1 
       34 . 1 1  7  7 ASN HA   H 1  4.655 . . 1 . . . .  7 ASN HA   . 17662 1 
       35 . 1 1  7  7 ASN HB2  H 1  2.846 . . 2 . . . .  7 ASN HB2  . 17662 1 
       36 . 1 1  7  7 ASN HB3  H 1  2.770 . . 2 . . . .  7 ASN HB3  . 17662 1 
       37 . 1 1  7  7 ASN HD21 H 1  6.917 . . 2 . . . .  7 ASN HD21 . 17662 1 
       38 . 1 1  7  7 ASN HD22 H 1  7.622 . . 2 . . . .  7 ASN HD22 . 17662 1 
       39 . 1 1  8  8 ASP H    H 1  7.786 . . 1 . . . .  8 ASP HN   . 17662 1 
       40 . 1 1  8  8 ASP HA   H 1  4.652 . . 1 . . . .  8 ASP HA   . 17662 1 
       41 . 1 1  8  8 ASP HB2  H 1  3.112 . . 2 . . . .  8 ASP HB2  . 17662 1 
       42 . 1 1  8  8 ASP HB3  H 1  2.754 . . 2 . . . .  8 ASP HB3  . 17662 1 
       43 . 1 1  9  9 LYS H    H 1  8.379 . . 1 . . . .  9 LYS HN   . 17662 1 
       44 . 1 1  9  9 LYS HA   H 1  3.937 . . 1 . . . .  9 LYS HA   . 17662 1 
       45 . 1 1  9  9 LYS HB2  H 1  1.793 . . 2 . . . .  9 LYS HB2  . 17662 1 
       46 . 1 1  9  9 LYS HB3  H 1  1.793 . . 2 . . . .  9 LYS HB3  . 17662 1 
       47 . 1 1  9  9 LYS HG2  H 1  1.488 . . 2 . . . .  9 LYS HG2  . 17662 1 
       48 . 1 1  9  9 LYS HG3  H 1  1.387 . . 2 . . . .  9 LYS HG3  . 17662 1 
       49 . 1 1  9  9 LYS HD2  H 1  1.632 . . 2 . . . .  9 LYS HD2  . 17662 1 
       50 . 1 1  9  9 LYS HD3  H 1  1.632 . . 2 . . . .  9 LYS HD3  . 17662 1 
       51 . 1 1  9  9 LYS HE2  H 1  2.957 . . 2 . . . .  9 LYS HE2  . 17662 1 
       52 . 1 1  9  9 LYS HE3  H 1  2.957 . . 2 . . . .  9 LYS HE3  . 17662 1 
       53 . 1 1  9  9 LYS HZ1  H 1  7.498 . . 1 . . . .  9 LYS HZ1  . 17662 1 
       54 . 1 1  9  9 LYS HZ2  H 1  7.498 . . 1 . . . .  9 LYS HZ2  . 17662 1 
       55 . 1 1  9  9 LYS HZ3  H 1  7.498 . . 1 . . . .  9 LYS HZ3  . 17662 1 
       56 . 1 1 10 10 GLU H    H 1  8.265 . . 1 . . . . 10 GLU HN   . 17662 1 
       57 . 1 1 10 10 GLU HA   H 1  4.153 . . 1 . . . . 10 GLU HA   . 17662 1 
       58 . 1 1 10 10 GLU HB2  H 1  2.089 . . 2 . . . . 10 GLU HB2  . 17662 1 
       59 . 1 1 10 10 GLU HB3  H 1  2.089 . . 2 . . . . 10 GLU HB3  . 17662 1 
       60 . 1 1 10 10 GLU HG2  H 1  2.446 . . 2 . . . . 10 GLU HG2  . 17662 1 
       61 . 1 1 10 10 GLU HG3  H 1  2.446 . . 2 . . . . 10 GLU HG3  . 17662 1 
       62 . 1 1 11 11 CYS H    H 1  7.703 . . 1 . . . . 11 CYS HN   . 17662 1 
       63 . 1 1 11 11 CYS HA   H 1  4.257 . . 1 . . . . 11 CYS HA   . 17662 1 
       64 . 1 1 11 11 CYS HB2  H 1  3.145 . . 2 . . . . 11 CYS HB2  . 17662 1 
       65 . 1 1 11 11 CYS HB3  H 1  3.070 . . 2 . . . . 11 CYS HB3  . 17662 1 
       66 . 1 1 12 12 MET H    H 1  8.133 . . 1 . . . . 12 MET HN   . 17662 1 
       67 . 1 1 12 12 MET HA   H 1  4.137 . . 1 . . . . 12 MET HA   . 17662 1 
       68 . 1 1 12 12 MET HB2  H 1  2.000 . . 2 . . . . 12 MET HB2  . 17662 1 
       69 . 1 1 12 12 MET HB3  H 1  1.895 . . 2 . . . . 12 MET HB3  . 17662 1 
       70 . 1 1 12 12 MET HG2  H 1  2.472 . . 2 . . . . 12 MET HG2  . 17662 1 
       71 . 1 1 12 12 MET HG3  H 1  2.472 . . 2 . . . . 12 MET HG3  . 17662 1 
       72 . 1 1 12 12 MET HE1  H 1  1.962 . . 1 . . . . 12 MET HE1  . 17662 1 
       73 . 1 1 12 12 MET HE2  H 1  1.962 . . 1 . . . . 12 MET HE2  . 17662 1 
       74 . 1 1 12 12 MET HE3  H 1  1.962 . . 1 . . . . 12 MET HE3  . 17662 1 
       75 . 1 1 13 13 TYR H    H 1  7.819 . . 1 . . . . 13 TYR HN   . 17662 1 
       76 . 1 1 13 13 TYR HA   H 1  4.250 . . 1 . . . . 13 TYR HA   . 17662 1 
       77 . 1 1 13 13 TYR HB2  H 1  2.927 . . 2 . . . . 13 TYR HB2  . 17662 1 
       78 . 1 1 13 13 TYR HB3  H 1  2.927 . . 2 . . . . 13 TYR HB3  . 17662 1 
       79 . 1 1 13 13 TYR HD1  H 1  6.782 . . 2 . . . . 13 TYR HD1  . 17662 1 
       80 . 1 1 13 13 TYR HD2  H 1  6.782 . . 2 . . . . 13 TYR HD2  . 17662 1 
       81 . 1 1 13 13 TYR HE1  H 1  6.683 . . 2 . . . . 13 TYR HE1  . 17662 1 
       82 . 1 1 13 13 TYR HE2  H 1  6.683 . . 2 . . . . 13 TYR HE2  . 17662 1 
       83 . 1 1 14 14 PHE H    H 1  7.975 . . 1 . . . . 14 PHE HN   . 17662 1 
       84 . 1 1 14 14 PHE HA   H 1  4.268 . . 1 . . . . 14 PHE HA   . 17662 1 
       85 . 1 1 14 14 PHE HB2  H 1  3.177 . . 2 . . . . 14 PHE HB2  . 17662 1 
       86 . 1 1 14 14 PHE HB3  H 1  3.089 . . 2 . . . . 14 PHE HB3  . 17662 1 
       87 . 1 1 14 14 PHE HD1  H 1  7.293 . . 2 . . . . 14 PHE HD1  . 17662 1 
       88 . 1 1 14 14 PHE HD2  H 1  7.293 . . 2 . . . . 14 PHE HD2  . 17662 1 
       89 . 1 1 14 14 PHE HE1  H 1  7.362 . . 2 . . . . 14 PHE HE1  . 17662 1 
       90 . 1 1 14 14 PHE HE2  H 1  7.362 . . 2 . . . . 14 PHE HE2  . 17662 1 
       91 . 1 1 14 14 PHE HZ   H 1  7.370 . . 1 . . . . 14 PHE HZ   . 17662 1 
       92 . 1 1 15 15 CYS H    H 1  8.308 . . 1 . . . . 15 CYS HN   . 17662 1 
       93 . 1 1 15 15 CYS HA   H 1  4.572 . . 1 . . . . 15 CYS HA   . 17662 1 
       94 . 1 1 15 15 CYS HB2  H 1  3.184 . . 2 . . . . 15 CYS HB2  . 17662 1 
       95 . 1 1 15 15 CYS HB3  H 1  2.951 . . 2 . . . . 15 CYS HB3  . 17662 1 
       96 . 1 1 16 16 HIS H    H 1  8.017 . . 1 . . . . 16 HIS HN   . 17662 1 
       97 . 1 1 16 16 HIS HA   H 1  4.557 . . 1 . . . . 16 HIS HA   . 17662 1 
       98 . 1 1 16 16 HIS HB2  H 1  3.256 . . 2 . . . . 16 HIS HB2  . 17662 1 
       99 . 1 1 16 16 HIS HB3  H 1  3.190 . . 2 . . . . 16 HIS HB3  . 17662 1 
      100 . 1 1 16 16 HIS HD2  H 1  7.174 . . 2 . . . . 16 HIS HD2  . 17662 1 
      101 . 1 1 16 16 HIS HE1  H 1  8.475 . . 2 . . . . 16 HIS HE1  . 17662 1 
      102 . 1 1 17 17 GLN H    H 1  8.129 . . 1 . . . . 17 GLN HN   . 17662 1 
      103 . 1 1 17 17 GLN HA   H 1  4.214 . . 1 . . . . 17 GLN HA   . 17662 1 
      104 . 1 1 17 17 GLN HB2  H 1  2.015 . . 2 . . . . 17 GLN HB2  . 17662 1 
      105 . 1 1 17 17 GLN HB3  H 1  1.895 . . 2 . . . . 17 GLN HB3  . 17662 1 
      106 . 1 1 17 17 GLN HG2  H 1  2.195 . . 2 . . . . 17 GLN HG2  . 17662 1 
      107 . 1 1 17 17 GLN HG3  H 1  2.195 . . 2 . . . . 17 GLN HG3  . 17662 1 
      108 . 1 1 17 17 GLN HE21 H 1  6.726 . . 2 . . . . 17 GLN HE21 . 17662 1 
      109 . 1 1 17 17 GLN HE22 H 1  7.248 . . 2 . . . . 17 GLN HE22 . 17662 1 
      110 . 1 1 18 18 ASP H    H 1  8.300 . . 1 . . . . 18 ASP HN   . 17662 1 
      111 . 1 1 18 18 ASP HA   H 1  4.600 . . 1 . . . . 18 ASP HA   . 17662 1 
      112 . 1 1 18 18 ASP HB2  H 1  2.835 . . 2 . . . . 18 ASP HB2  . 17662 1 
      113 . 1 1 18 18 ASP HB3  H 1  2.722 . . 2 . . . . 18 ASP HB3  . 17662 1 
      114 . 1 1 19 19 VAL H    H 1  7.867 . . 1 . . . . 19 VAL HN   . 17662 1 
      115 . 1 1 19 19 VAL HA   H 1  4.018 . . 1 . . . . 19 VAL HA   . 17662 1 
      116 . 1 1 19 19 VAL HB   H 1  1.894 . . 1 . . . . 19 VAL HB   . 17662 1 
      117 . 1 1 19 19 VAL HG11 H 1  0.688 . . 4 . . . . 19 VAL HG11 . 17662 1 
      118 . 1 1 19 19 VAL HG12 H 1  0.688 . . 4 . . . . 19 VAL HG12 . 17662 1 
      119 . 1 1 19 19 VAL HG13 H 1  0.688 . . 4 . . . . 19 VAL HG13 . 17662 1 
      120 . 1 1 19 19 VAL HG21 H 1  0.776 . . 4 . . . . 19 VAL HG21 . 17662 1 
      121 . 1 1 19 19 VAL HG22 H 1  0.776 . . 4 . . . . 19 VAL HG22 . 17662 1 
      122 . 1 1 19 19 VAL HG23 H 1  0.776 . . 4 . . . . 19 VAL HG23 . 17662 1 
      123 . 1 1 20 20 ILE H    H 1  7.982 . . 1 . . . . 20 ILE HN   . 17662 1 
      124 . 1 1 20 20 ILE HA   H 1  4.070 . . 1 . . . . 20 ILE HA   . 17662 1 
      125 . 1 1 20 20 ILE HB   H 1  1.732 . . 1 . . . . 20 ILE HB   . 17662 1 
      126 . 1 1 20 20 ILE HG12 H 1  1.313 . . 9 . . . . 20 ILE HG12 . 17662 1 
      127 . 1 1 20 20 ILE HG13 H 1  1.050 . . 9 . . . . 20 ILE HG13 . 17662 1 
      128 . 1 1 20 20 ILE HG21 H 1  0.742 . . 4 . . . . 20 ILE HG21 . 17662 1 
      129 . 1 1 20 20 ILE HG22 H 1  0.742 . . 4 . . . . 20 ILE HG22 . 17662 1 
      130 . 1 1 20 20 ILE HG23 H 1  0.742 . . 4 . . . . 20 ILE HG23 . 17662 1 
      131 . 1 1 20 20 ILE HD11 H 1  0.742 . . 1 . . . . 20 ILE HD11 . 17662 1 
      132 . 1 1 20 20 ILE HD12 H 1  0.742 . . 1 . . . . 20 ILE HD12 . 17662 1 
      133 . 1 1 20 20 ILE HD13 H 1  0.742 . . 1 . . . . 20 ILE HD13 . 17662 1 
      134 . 1 1 21 21 TRP H    H 1  8.052 . . 1 . . . . 21 TRP HN   . 17662 1 
      135 . 1 1 21 21 TRP HA   H 1  4.610 . . 1 . . . . 21 TRP HA   . 17662 1 
      136 . 1 1 21 21 TRP HB2  H 1  3.201 . . 2 . . . . 21 TRP HB2  . 17662 1 
      137 . 1 1 21 21 TRP HB3  H 1  3.131 . . 2 . . . . 21 TRP HB3  . 17662 1 
      138 . 1 1 21 21 TRP HD1  H 1  7.161 . . 1 . . . . 21 TRP HD1  . 17662 1 
      139 . 1 1 21 21 TRP HE1  H 1 10.007 . . 2 . . . . 21 TRP HE1  . 17662 1 
      140 . 1 1 21 21 TRP HE3  H 1  7.528 . . 2 . . . . 21 TRP HE3  . 17662 1 
      141 . 1 1 21 21 TRP HZ2  H 1  7.381 . . 2 . . . . 21 TRP HZ2  . 17662 1 
      142 . 1 1 21 21 TRP HZ3  H 1  7.053 . . 2 . . . . 21 TRP HZ3  . 17662 1 
      143 . 1 1 21 21 TRP HH2  H 1  7.141 . . 1 . . . . 21 TRP HH2  . 17662 1 
      144 . 1 1 22 22 ASP H    H 1  8.011 . . 1 . . . . 22 ASP HN   . 17662 1 
      145 . 1 1 22 22 ASP HA   H 1  4.546 . . 1 . . . . 22 ASP HA   . 17662 1 
      146 . 1 1 22 22 ASP HB2  H 1  2.581 . . 2 . . . . 22 ASP HB2  . 17662 1 
      147 . 1 1 22 22 ASP HB3  H 1  2.535 . . 2 . . . . 22 ASP HB3  . 17662 1 
      148 . 1 1 23 23 GLU H    H 1  7.830 . . 1 . . . . 23 GLU HN   . 17662 1 
      149 . 1 1 23 23 GLU HA   H 1  4.463 . . 1 . . . . 23 GLU HA   . 17662 1 
      150 . 1 1 23 23 GLU HB2  H 1  1.986 . . 2 . . . . 23 GLU HB2  . 17662 1 
      151 . 1 1 23 23 GLU HB3  H 1  1.767 . . 2 . . . . 23 GLU HB3  . 17662 1 
      152 . 1 1 23 23 GLU HG2  H 1  2.360 . . 2 . . . . 23 GLU HG2  . 17662 1 
      153 . 1 1 23 23 GLU HG3  H 1  2.360 . . 2 . . . . 23 GLU HG3  . 17662 1 
      154 . 1 1 24 24 PRO HA   H 1  4.307 . . 1 . . . . 24 PRO HA   . 17662 1 
      155 . 1 1 24 24 PRO HB2  H 1  2.226 . . 2 . . . . 24 PRO HB2  . 17662 1 
      156 . 1 1 24 24 PRO HB3  H 1  1.981 . . 2 . . . . 24 PRO HB3  . 17662 1 
      157 . 1 1 24 24 PRO HG2  H 1  1.951 . . 2 . . . . 24 PRO HG2  . 17662 1 
      158 . 1 1 24 24 PRO HG3  H 1  1.951 . . 2 . . . . 24 PRO HG3  . 17662 1 
      159 . 1 1 24 24 PRO HD2  H 1  3.640 . . 2 . . . . 24 PRO HD2  . 17662 1 
      160 . 1 1 24 24 PRO HD3  H 1  3.640 . . 2 . . . . 24 PRO HD3  . 17662 1 

   stop_

   loop_
      _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID
      _Ambiguous_atom_chem_shift.Atom_chem_shift_ID
      _Ambiguous_atom_chem_shift.Entry_ID
      _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID

      1  27 17662 1 
      1  28 17662 1 
      1  29 17662 1 
      2 117 17662 1 
      2 118 17662 1 
      2 119 17662 1 
      2 120 17662 1 
      2 121 17662 1 
      2 122 17662 1 
      3 128 17662 1 
      3 129 17662 1 
      3 130 17662 1 

   stop_

save_