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                      20062
   _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

      2 '2D 1H-1H TOCSY' . . . 20062 1 
      3 '2D 1H-1H NOESY' . . . 20062 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 . . 20062 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 GLU H    H 1 8.131 0.001 . 1 . . . .  1 GLU HN   . 20062 1 
        2 . 1 1  1  1 GLU HA   H 1 3.793 0.001 . 1 . . . .  1 GLU HA   . 20062 1 
        3 . 1 1  1  1 GLU HB2  H 1 2.325 0.001 . 1 . . . .  1 GLU QB   . 20062 1 
        4 . 1 1  1  1 GLU HB3  H 1 2.325 0.001 . 1 . . . .  1 GLU QB   . 20062 1 
        5 . 1 1  1  1 GLU HG2  H 1 1.903 0.001 . 1 . . . .  1 GLU QG   . 20062 1 
        6 . 1 1  1  1 GLU HG3  H 1 1.903 0.001 . 1 . . . .  1 GLU QG   . 20062 1 
        7 . 1 1  2  2 ASN H    H 1 8.763 0.001 . 1 . . . .  2 ASN HN   . 20062 1 
        8 . 1 1  2  2 ASN HA   H 1 4.847 0.001 . 1 . . . .  2 ASN HA   . 20062 1 
        9 . 1 1  2  2 ASN HB2  H 1 2.545 0.001 . 2 . . . .  2 ASN HB2  . 20062 1 
       10 . 1 1  2  2 ASN HB3  H 1 2.406 0.001 . 2 . . . .  2 ASN HB3  . 20062 1 
       11 . 1 1  2  2 ASN HD21 H 1 7.017 0.002 . 2 . . . .  2 ASN HD21 . 20062 1 
       12 . 1 1  2  2 ASN HD22 H 1 7.503 0.001 . 2 . . . .  2 ASN HD22 . 20062 1 
       13 . 1 1  3  3 PRO HA   H 1 4.405 0.002 . 1 . . . .  3 PRO HA   . 20062 1 
       14 . 1 1  3  3 PRO HB2  H 1 1.998 0.002 . 2 . . . .  3 PRO HB2  . 20062 1 
       15 . 1 1  3  3 PRO HB3  H 1 1.872 0.001 . 2 . . . .  3 PRO HB3  . 20062 1 
       16 . 1 1  3  3 PRO HD2  H 1 3.657 0.001 . 2 . . . .  3 PRO HD2  . 20062 1 
       17 . 1 1  3  3 PRO HD3  H 1 3.627 0.001 . 2 . . . .  3 PRO HD3  . 20062 1 
       18 . 1 1  3  3 PRO HG2  H 1 1.817 0.002 . 1 . . . .  3 PRO QG   . 20062 1 
       19 . 1 1  3  3 PRO HG3  H 1 1.817 0.002 . 1 . . . .  3 PRO QG   . 20062 1 
       20 . 1 1  4  4 VAL H    H 1 7.801 0.003 . 1 . . . .  4 VAL HN   . 20062 1 
       21 . 1 1  4  4 VAL HA   H 1 4.053 0.001 . 1 . . . .  4 VAL HA   . 20062 1 
       22 . 1 1  4  4 VAL HB   H 1 1.955 0.001 . 1 . . . .  4 VAL HB   . 20062 1 
       23 . 1 1  4  4 VAL HG11 H 1 0.780 0.001 . 1 . . . .  4 VAL QQG  . 20062 1 
       24 . 1 1  4  4 VAL HG12 H 1 0.780 0.001 . 1 . . . .  4 VAL QQG  . 20062 1 
       25 . 1 1  4  4 VAL HG13 H 1 0.780 0.001 . 1 . . . .  4 VAL QQG  . 20062 1 
       26 . 1 1  4  4 VAL HG21 H 1 0.780 0.001 . 1 . . . .  4 VAL QQG  . 20062 1 
       27 . 1 1  4  4 VAL HG22 H 1 0.780 0.001 . 1 . . . .  4 VAL QQG  . 20062 1 
       28 . 1 1  4  4 VAL HG23 H 1 0.780 0.001 . 1 . . . .  4 VAL QQG  . 20062 1 
       29 . 1 1  5  5 VAL H    H 1 7.584 0.001 . 1 . . . .  5 VAL HN   . 20062 1 
       30 . 1 1  5  5 VAL HA   H 1 4.060 0.001 . 1 . . . .  5 VAL HA   . 20062 1 
       31 . 1 1  5  5 VAL HB   H 1 1.851 0.001 . 1 . . . .  5 VAL HB   . 20062 1 
       32 . 1 1  5  5 VAL HG11 H 1 0.731 0.001 . 1 . . . .  5 VAL QQG  . 20062 1 
       33 . 1 1  5  5 VAL HG12 H 1 0.731 0.001 . 1 . . . .  5 VAL QQG  . 20062 1 
       34 . 1 1  5  5 VAL HG13 H 1 0.731 0.001 . 1 . . . .  5 VAL QQG  . 20062 1 
       35 . 1 1  5  5 VAL HG21 H 1 0.731 0.001 . 1 . . . .  5 VAL QQG  . 20062 1 
       36 . 1 1  5  5 VAL HG22 H 1 0.731 0.001 . 1 . . . .  5 VAL QQG  . 20062 1 
       37 . 1 1  5  5 VAL HG23 H 1 0.731 0.001 . 1 . . . .  5 VAL QQG  . 20062 1 
       38 . 1 1  6  6 HIS H    H 1 8.130 0.004 . 1 . . . .  6 HIS HN   . 20062 1 
       39 . 1 1  6  6 HIS HA   H 1 4.566 0.001 . 1 . . . .  6 HIS HA   . 20062 1 
       40 . 1 1  6  6 HIS HB2  H 1 2.934 0.001 . 2 . . . .  6 HIS HB2  . 20062 1 
       41 . 1 1  6  6 HIS HB3  H 1 2.822 0.002 . 2 . . . .  6 HIS HB3  . 20062 1 
       42 . 1 1  6  6 HIS HD2  H 1 7.187 0.002 . 1 . . . .  6 HIS HD2  . 20062 1 
       43 . 1 1  6  6 HIS HE1  H 1 8.904 0.001 . 1 . . . .  6 HIS HE1  . 20062 1 
       44 . 1 1  7  7 PHE H    H 1 7.922 0.001 . 1 . . . .  7 PHE HN   . 20062 1 
       45 . 1 1  7  7 PHE HA   H 1 4.531 0.001 . 1 . . . .  7 PHE HA   . 20062 1 
       46 . 1 1  7  7 PHE HB2  H 1 2.979 0.001 . 2 . . . .  7 PHE HB2  . 20062 1 
       47 . 1 1  7  7 PHE HB3  H 1 2.740 0.003 . 2 . . . .  7 PHE HB3  . 20062 1 
       48 . 1 1  7  7 PHE HD1  H 1 7.168 0.001 . 3 . . . .  7 PHE HD1  . 20062 1 
       49 . 1 1  7  7 PHE HE1  H 1 7.179 0.001 . 3 . . . .  7 PHE HE1  . 20062 1 
       50 . 1 1  7  7 PHE HZ   H 1 7.170 0.001 . 1 . . . .  7 PHE HZ   . 20062 1 
       51 . 1 1  8  8 PHE H    H 1 8.286 0.002 . 1 . . . .  8 PHE HN   . 20062 1 
       52 . 1 1  8  8 PHE HA   H 1 4.570 0.001 . 1 . . . .  8 PHE HA   . 20062 1 
       53 . 1 1  8  8 PHE HB2  H 1 3.030 0.001 . 2 . . . .  8 PHE HB2  . 20062 1 
       54 . 1 1  8  8 PHE HB3  H 1 2.818 0.003 . 2 . . . .  8 PHE HB3  . 20062 1 
       55 . 1 1  8  8 PHE HD1  H 1 7.230 0.002 . 3 . . . .  8 PHE HD1  . 20062 1 
       56 . 1 1  8  8 PHE HE1  H 1 7.250 0.001 . 3 . . . .  8 PHE HE1  . 20062 1 
       57 . 1 1  8  8 PHE HZ   H 1 7.241 0.001 . 1 . . . .  8 PHE HZ   . 20062 1 
       58 . 1 1  9  9 LYS H    H 1 8.160 0.001 . 1 . . . .  9 LYS HN   . 20062 1 
       59 . 1 1  9  9 LYS HA   H 1 4.320 0.002 . 1 . . . .  9 LYS HA   . 20062 1 
       60 . 1 1  9  9 LYS HB2  H 1 1.648 0.001 . 2 . . . .  9 LYS HB2  . 20062 1 
       61 . 1 1  9  9 LYS HB3  H 1 1.526 0.005 . 2 . . . .  9 LYS HB3  . 20062 1 
       62 . 1 1  9  9 LYS HD2  H 1 1.501 0.002 . 4 . . . .  9 LYS QD   . 20062 1 
       63 . 1 1  9  9 LYS HD3  H 1 1.501 0.002 . 4 . . . .  9 LYS QD   . 20062 1 
       64 . 1 1  9  9 LYS HE2  H 1 2.743 0.001 . 1 . . . .  9 LYS QE   . 20062 1 
       65 . 1 1  9  9 LYS HE3  H 1 2.743 0.001 . 1 . . . .  9 LYS QE   . 20062 1 
       66 . 1 1  9  9 LYS HG2  H 1 1.300 0.002 . 4 . . . .  9 LYS QG   . 20062 1 
       67 . 1 1  9  9 LYS HG3  H 1 1.300 0.002 . 4 . . . .  9 LYS QG   . 20062 1 
       68 . 1 1  9  9 LYS HZ1  H 1 7.737 0.001 . 1 . . . .  9 LYS QZ   . 20062 1 
       69 . 1 1  9  9 LYS HZ2  H 1 7.737 0.001 . 1 . . . .  9 LYS QZ   . 20062 1 
       70 . 1 1  9  9 LYS HZ3  H 1 7.737 0.001 . 1 . . . .  9 LYS QZ   . 20062 1 
       71 . 1 1 10 10 ASN H    H 1 8.264 0.001 . 1 . . . . 10 ASN HN   . 20062 1 
       72 . 1 1 10 10 ASN HA   H 1 4.606 0.001 . 1 . . . . 10 ASN HA   . 20062 1 
       73 . 1 1 10 10 ASN HB2  H 1 2.538 0.003 . 2 . . . . 10 ASN HB2  . 20062 1 
       74 . 1 1 10 10 ASN HB3  H 1 2.406 0.002 . 2 . . . . 10 ASN HB3  . 20062 1 
       75 . 1 1 10 10 ASN HD21 H 1 6.957 0.001 . 2 . . . . 10 ASN HD21 . 20062 1 
       76 . 1 1 10 10 ASN HD22 H 1 7.402 0.004 . 2 . . . . 10 ASN HD22 . 20062 1 
       77 . 1 1 11 11 ILE H    H 1 7.735 0.001 . 1 . . . . 11 ILE HN   . 20062 1 
       78 . 1 1 11 11 ILE HA   H 1 4.227 0.001 . 1 . . . . 11 ILE HA   . 20062 1 
       79 . 1 1 11 11 ILE HB   H 1 1.735 0.003 . 1 . . . . 11 ILE HB   . 20062 1 
       80 . 1 1 11 11 ILE HD11 H 1 0.771 0.001 . 1 . . . . 11 ILE QD1  . 20062 1 
       81 . 1 1 11 11 ILE HD12 H 1 0.771 0.001 . 1 . . . . 11 ILE QD1  . 20062 1 
       82 . 1 1 11 11 ILE HD13 H 1 0.771 0.001 . 1 . . . . 11 ILE QD1  . 20062 1 
       83 . 1 1 11 11 ILE HG12 H 1 1.379 0.004 . 2 . . . . 11 ILE HG12 . 20062 1 
       84 . 1 1 11 11 ILE HG13 H 1 1.048 0.002 . 2 . . . . 11 ILE HG13 . 20062 1 
       85 . 1 1 11 11 ILE HG21 H 1 0.806 0.003 . 1 . . . . 11 ILE QG2  . 20062 1 
       86 . 1 1 11 11 ILE HG22 H 1 0.806 0.003 . 1 . . . . 11 ILE QG2  . 20062 1 
       87 . 1 1 11 11 ILE HG23 H 1 0.806 0.003 . 1 . . . . 11 ILE QG2  . 20062 1 
       88 . 1 1 12 12 VAL H    H 1 7.807 0.004 . 1 . . . . 12 VAL HN   . 20062 1 
       89 . 1 1 12 12 VAL HA   H 1 4.217 0.001 . 1 . . . . 12 VAL HA   . 20062 1 
       90 . 1 1 12 12 VAL HB   H 1 1.940 0.006 . 1 . . . . 12 VAL HB   . 20062 1 
       91 . 1 1 12 12 VAL HG11 H 1 0.802 0.003 . 1 . . . . 12 VAL QQG  . 20062 1 
       92 . 1 1 12 12 VAL HG12 H 1 0.802 0.003 . 1 . . . . 12 VAL QQG  . 20062 1 
       93 . 1 1 12 12 VAL HG13 H 1 0.802 0.003 . 1 . . . . 12 VAL QQG  . 20062 1 
       94 . 1 1 12 12 VAL HG21 H 1 0.802 0.003 . 1 . . . . 12 VAL QQG  . 20062 1 
       95 . 1 1 12 12 VAL HG22 H 1 0.802 0.003 . 1 . . . . 12 VAL QQG  . 20062 1 
       96 . 1 1 12 12 VAL HG23 H 1 0.802 0.003 . 1 . . . . 12 VAL QQG  . 20062 1 
       97 . 1 1 13 13 THR H    H 1 7.951 0.002 . 1 . . . . 13 THR HN   . 20062 1 
       98 . 1 1 13 13 THR HA   H 1 4.376 0.001 . 1 . . . . 13 THR HA   . 20062 1 
       99 . 1 1 13 13 THR HB   H 1 3.850 0.002 . 1 . . . . 13 THR HB   . 20062 1 
      100 . 1 1 13 13 THR HG21 H 1 1.111 0.001 . 1 . . . . 13 THR QG2  . 20062 1 
      101 . 1 1 13 13 THR HG22 H 1 1.111 0.001 . 1 . . . . 13 THR QG2  . 20062 1 
      102 . 1 1 13 13 THR HG23 H 1 1.111 0.001 . 1 . . . . 13 THR QG2  . 20062 1 
      103 . 1 1 14 14 PRO HA   H 1 4.331 0.001 . 1 . . . . 14 PRO HA   . 20062 1 
      104 . 1 1 14 14 PRO HB2  H 1 2.027 0.002 . 2 . . . . 14 PRO HB2  . 20062 1 
      105 . 1 1 14 14 PRO HB3  H 1 1.893 0.001 . 2 . . . . 14 PRO HB3  . 20062 1 
      106 . 1 1 14 14 PRO HD2  H 1 3.783 0.001 . 2 . . . . 14 PRO HD2  . 20062 1 
      107 . 1 1 14 14 PRO HD3  H 1 3.611 0.001 . 2 . . . . 14 PRO HD3  . 20062 1 
      108 . 1 1 14 14 PRO HG2  H 1 1.805 0.001 . 1 . . . . 14 PRO QG   . 20062 1 
      109 . 1 1 14 14 PRO HG3  H 1 1.805 0.001 . 1 . . . . 14 PRO QG   . 20062 1 
      110 . 1 1 15 15 ARG H    H 1 8.013 0.001 . 1 . . . . 15 ARG HN   . 20062 1 
      111 . 1 1 15 15 ARG HA   H 1 4.287 0.001 . 1 . . . . 15 ARG HA   . 20062 1 
      112 . 1 1 15 15 ARG HB2  H 1 1.676 0.000 . 2 . . . . 15 ARG HB2  . 20062 1 
      113 . 1 1 15 15 ARG HB3  H 1 1.494 0.001 . 2 . . . . 15 ARG HB3  . 20062 1 
      114 . 1 1 15 15 ARG HD2  H 1 3.070 0.001 . 1 . . . . 15 ARG QD   . 20062 1 
      115 . 1 1 15 15 ARG HD3  H 1 3.070 0.001 . 1 . . . . 15 ARG QD   . 20062 1 
      116 . 1 1 15 15 ARG HE   H 1 7.493 0.001 . 1 . . . . 15 ARG HE   . 20062 1 
      117 . 1 1 15 15 ARG HG2  H 1 1.457 0.001 . 1 . . . . 15 ARG QG   . 20062 1 
      118 . 1 1 15 15 ARG HG3  H 1 1.457 0.001 . 1 . . . . 15 ARG QG   . 20062 1 
      119 . 1 1 16 16 THR H    H 1 7.888 0.001 . 1 . . . . 16 THR HN   . 20062 1 
      120 . 1 1 16 16 THR HA   H 1 4.310 0.001 . 1 . . . . 16 THR HA   . 20062 1 
      121 . 1 1 16 16 THR HB   H 1 3.785 0.001 . 1 . . . . 16 THR HB   . 20062 1 
      122 . 1 1 16 16 THR HG21 H 1 1.121 0.005 . 1 . . . . 16 THR QG2  . 20062 1 
      123 . 1 1 16 16 THR HG22 H 1 1.121 0.005 . 1 . . . . 16 THR QG2  . 20062 1 
      124 . 1 1 16 16 THR HG23 H 1 1.121 0.005 . 1 . . . . 16 THR QG2  . 20062 1 
      125 . 1 1 17 17 PRO HA   H 1 4.188 0.001 . 1 . . . . 17 PRO HA   . 20062 1 
      126 . 1 1 17 17 PRO HB2  H 1 2.133 0.001 . 2 . . . . 17 PRO HB2  . 20062 1 
      127 . 1 1 17 17 PRO HB3  H 1 1.917 0.001 . 2 . . . . 17 PRO HB3  . 20062 1 
      128 . 1 1 17 17 PRO HD2  H 1 3.784 0.001 . 2 . . . . 17 PRO HD2  . 20062 1 
      129 . 1 1 17 17 PRO HD3  H 1 3.628 0.007 . 2 . . . . 17 PRO HD3  . 20062 1 
      130 . 1 1 17 17 PRO HG2  H 1 1.841 0.001 . 1 . . . . 17 PRO QG   . 20062 1 
      131 . 1 1 17 17 PRO HG3  H 1 1.841 0.001 . 1 . . . . 17 PRO QG   . 20062 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 62 20062 1 
      1 63 20062 1 
      1 66 20062 1 
      1 67 20062 1 

   stop_

save_