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                      11538
   _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

      1 '2D 1H-1H TOCSY' 1 $sample_1 isotropic 11538 1 
      2 '2D 1H-1H NOESY' 1 $sample_1 isotropic 11538 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 LYS HA   H 1  4.161 0.001 . 1 . . . .  1 LYS HA   . 11538 1 
        2 . 1 1  1  1 LYS HB2  H 1  1.865 0.001 . 2 . . . .  1 LYS HB1  . 11538 1 
        3 . 1 1  1  1 LYS HB3  H 1  1.865 0.001 . 2 . . . .  1 LYS HB2  . 11538 1 
        4 . 1 1  1  1 LYS HD2  H 1  1.640 0.000 . 2 . . . .  1 LYS HD1  . 11538 1 
        5 . 1 1  1  1 LYS HD3  H 1  1.640 0.000 . 2 . . . .  1 LYS HD2  . 11538 1 
        6 . 1 1  1  1 LYS HE2  H 1  2.959 0.000 . 2 . . . .  1 LYS HE1  . 11538 1 
        7 . 1 1  1  1 LYS HE3  H 1  2.959 0.000 . 2 . . . .  1 LYS HE2  . 11538 1 
        8 . 1 1  1  1 LYS HG2  H 1  1.434 0.002 . 2 . . . .  1 LYS HG1  . 11538 1 
        9 . 1 1  1  1 LYS HG3  H 1  1.434 0.002 . 2 . . . .  1 LYS HG2  . 11538 1 
       10 . 1 1  2  2 TRP H    H 1  8.913 0.006 . 1 . . . .  2 TRP HN   . 11538 1 
       11 . 1 1  2  2 TRP HA   H 1  4.962 0.001 . 1 . . . .  2 TRP HA   . 11538 1 
       12 . 1 1  2  2 TRP HB2  H 1  3.326 0.001 . 2 . . . .  2 TRP HB1  . 11538 1 
       13 . 1 1  2  2 TRP HB3  H 1  3.326 0.001 . 2 . . . .  2 TRP HB2  . 11538 1 
       14 . 1 1  2  2 TRP HD1  H 1  7.264 0.000 . 1 . . . .  2 TRP HD1  . 11538 1 
       15 . 1 1  2  2 TRP HE1  H 1 10.110 0.000 . 1 . . . .  2 TRP HE1  . 11538 1 
       16 . 1 1  2  2 TRP HE3  H 1  7.679 0.000 . 1 . . . .  2 TRP HE3  . 11538 1 
       17 . 1 1  2  2 TRP HZ2  H 1  7.451 0.000 . 1 . . . .  2 TRP HZ2  . 11538 1 
       18 . 1 1  3  3 CYS H    H 1  8.306 0.000 . 1 . . . .  3 CYS HN   . 11538 1 
       19 . 1 1  3  3 CYS HA   H 1  5.461 0.001 . 1 . . . .  3 CYS HA   . 11538 1 
       20 . 1 1  3  3 CYS HB2  H 1  2.570 0.001 . 2 . . . .  3 CYS HB1  . 11538 1 
       21 . 1 1  3  3 CYS HB3  H 1  2.979 0.001 . 2 . . . .  3 CYS HB2  . 11538 1 
       22 . 1 1  4  4 PHE H    H 1  8.736 0.000 . 1 . . . .  4 PHE HN   . 11538 1 
       23 . 1 1  4  4 PHE HA   H 1  4.766 0.000 . 1 . . . .  4 PHE HA   . 11538 1 
       24 . 1 1  4  4 PHE HB2  H 1  2.996 0.001 . 2 . . . .  4 PHE HB1  . 11538 1 
       25 . 1 1  4  4 PHE HB3  H 1  2.996 0.001 . 2 . . . .  4 PHE HB2  . 11538 1 
       26 . 1 1  4  4 PHE HD1  H 1  6.872 0.000 . 3 . . . .  4 PHE HD1  . 11538 1 
       27 . 1 1  4  4 PHE HD2  H 1  6.872 0.000 . 3 . . . .  4 PHE HD2  . 11538 1 
       28 . 1 1  4  4 PHE HE1  H 1  7.092 0.000 . 3 . . . .  4 PHE HE1  . 11538 1 
       29 . 1 1  4  4 PHE HE2  H 1  7.092 0.000 . 3 . . . .  4 PHE HE2  . 11538 1 
       30 . 1 1  4  4 PHE HZ   H 1  7.159 0.000 . 1 . . . .  4 PHE HZ   . 11538 1 
       31 . 1 1  5  5 ARG H    H 1  8.544 0.000 . 1 . . . .  5 ARG HN   . 11538 1 
       32 . 1 1  5  5 ARG HA   H 1  4.963 0.001 . 1 . . . .  5 ARG HA   . 11538 1 
       33 . 1 1  5  5 ARG HB2  H 1  1.638 0.000 . 2 . . . .  5 ARG HB1  . 11538 1 
       34 . 1 1  5  5 ARG HB3  H 1  1.733 0.000 . 2 . . . .  5 ARG HB2  . 11538 1 
       35 . 1 1  5  5 ARG HD2  H 1  3.112 0.003 . 2 . . . .  5 ARG HD1  . 11538 1 
       36 . 1 1  5  5 ARG HD3  H 1  3.112 0.003 . 2 . . . .  5 ARG HD2  . 11538 1 
       37 . 1 1  5  5 ARG HE   H 1  7.157 0.000 . 1 . . . .  5 ARG HE   . 11538 1 
       38 . 1 1  5  5 ARG HG2  H 1  1.488 0.001 . 2 . . . .  5 ARG HG1  . 11538 1 
       39 . 1 1  5  5 ARG HG3  H 1  1.488 0.001 . 2 . . . .  5 ARG HG2  . 11538 1 
       40 . 1 1  6  6 VAL H    H 1  8.843 0.000 . 1 . . . .  6 VAL HN   . 11538 1 
       41 . 1 1  6  6 VAL HA   H 1  4.366 0.000 . 1 . . . .  6 VAL HA   . 11538 1 
       42 . 1 1  6  6 VAL HB   H 1  1.722 0.000 . 1 . . . .  6 VAL HB   . 11538 1 
       43 . 1 1  6  6 VAL HG11 H 1  0.905 0.000 . 2 . . . .  6 VAL HG11 . 11538 1 
       44 . 1 1  6  6 VAL HG12 H 1  0.905 0.000 . 2 . . . .  6 VAL HG12 . 11538 1 
       45 . 1 1  6  6 VAL HG13 H 1  0.905 0.000 . 2 . . . .  6 VAL HG13 . 11538 1 
       46 . 1 1  6  6 VAL HG21 H 1  0.905 0.000 . 2 . . . .  6 VAL HG21 . 11538 1 
       47 . 1 1  6  6 VAL HG22 H 1  0.905 0.000 . 2 . . . .  6 VAL HG22 . 11538 1 
       48 . 1 1  6  6 VAL HG23 H 1  0.905 0.000 . 2 . . . .  6 VAL HG23 . 11538 1 
       49 . 1 1  7  7 CYS H    H 1  8.623 0.000 . 1 . . . .  7 CYS HN   . 11538 1 
       50 . 1 1  7  7 CYS HA   H 1  5.639 0.001 . 1 . . . .  7 CYS HA   . 11538 1 
       51 . 1 1  7  7 CYS HB2  H 1  2.663 0.003 . 2 . . . .  7 CYS HB1  . 11538 1 
       52 . 1 1  7  7 CYS HB3  H 1  3.042 0.003 . 2 . . . .  7 CYS HB2  . 11538 1 
       53 . 1 1  8  8 TYR H    H 1  9.113 0.000 . 1 . . . .  8 TYR HN   . 11538 1 
       54 . 1 1  8  8 TYR HA   H 1  4.750 0.001 . 1 . . . .  8 TYR HA   . 11538 1 
       55 . 1 1  8  8 TYR HB2  H 1  3.039 0.000 . 1 . . . .  8 TYR HB1  . 11538 1 
       56 . 1 1  8  8 TYR HB3  H 1  3.039 0.000 . 1 . . . .  8 TYR HB2  . 11538 1 
       57 . 1 1  8  8 TYR HD1  H 1  7.236 0.001 . 3 . . . .  8 TYR HD1  . 11538 1 
       58 . 1 1  8  8 TYR HD2  H 1  7.236 0.001 . 3 . . . .  8 TYR HD2  . 11538 1 
       59 . 1 1  8  8 TYR HE1  H 1  6.847 0.001 . 3 . . . .  8 TYR HE1  . 11538 1 
       60 . 1 1  8  8 TYR HE2  H 1  6.847 0.001 . 3 . . . .  8 TYR HE2  . 11538 1 
       61 . 1 1  9  9 ARG H    H 1  9.213 0.001 . 1 . . . .  9 ARG HN   . 11538 1 
       62 . 1 1  9  9 ARG HA   H 1  3.731 0.000 . 1 . . . .  9 ARG HA   . 11538 1 
       63 . 1 1  9  9 ARG HB2  H 1  1.626 0.000 . 2 . . . .  9 ARG HB1  . 11538 1 
       64 . 1 1  9  9 ARG HB3  H 1  1.937 0.000 . 2 . . . .  9 ARG HB2  . 11538 1 
       65 . 1 1  9  9 ARG HD2  H 1  3.048 0.000 . 2 . . . .  9 ARG HD1  . 11538 1 
       66 . 1 1  9  9 ARG HD3  H 1  3.048 0.000 . 2 . . . .  9 ARG HD2  . 11538 1 
       67 . 1 1  9  9 ARG HG2  H 1  0.993 0.001 . 2 . . . .  9 ARG HG1  . 11538 1 
       68 . 1 1  9  9 ARG HG3  H 1  1.271 0.001 . 2 . . . .  9 ARG HG2  . 11538 1 
       69 . 1 1 10 10 GLY H    H 1  8.529 0.001 . 1 . . . . 10 GLY HN   . 11538 1 
       70 . 1 1 10 10 GLY HA2  H 1  3.576 0.000 . 2 . . . . 10 GLY HA1  . 11538 1 
       71 . 1 1 10 10 GLY HA3  H 1  4.165 0.000 . 2 . . . . 10 GLY HA2  . 11538 1 
       72 . 1 1 11 11 ILE H    H 1  7.792 0.000 . 1 . . . . 11 ILE HN   . 11538 1 
       73 . 1 1 11 11 ILE HA   H 1  4.314 0.001 . 1 . . . . 11 ILE HA   . 11538 1 
       74 . 1 1 11 11 ILE HB   H 1  2.011 0.000 . 1 . . . . 11 ILE HB   . 11538 1 
       75 . 1 1 11 11 ILE HD11 H 1  0.890 0.001 . 4 . . . . 11 ILE HD11 . 11538 1 
       76 . 1 1 11 11 ILE HD12 H 1  0.890 0.001 . 4 . . . . 11 ILE HD12 . 11538 1 
       77 . 1 1 11 11 ILE HD13 H 1  0.890 0.001 . 4 . . . . 11 ILE HD13 . 11538 1 
       78 . 1 1 11 11 ILE HG12 H 1  1.163 0.000 . 2 . . . . 11 ILE HG11 . 11538 1 
       79 . 1 1 11 11 ILE HG13 H 1  1.514 0.000 . 2 . . . . 11 ILE HG12 . 11538 1 
       80 . 1 1 11 11 ILE HG21 H 1  0.774 0.003 . 4 . . . . 11 ILE HG21 . 11538 1 
       81 . 1 1 11 11 ILE HG22 H 1  0.774 0.003 . 4 . . . . 11 ILE HG22 . 11538 1 
       82 . 1 1 11 11 ILE HG23 H 1  0.774 0.003 . 4 . . . . 11 ILE HG23 . 11538 1 
       83 . 1 1 12 12 CYS H    H 1  8.532 0.002 . 1 . . . . 12 CYS HN   . 11538 1 
       84 . 1 1 12 12 CYS HA   H 1  5.682 0.001 . 1 . . . . 12 CYS HA   . 11538 1 
       85 . 1 1 12 12 CYS HB2  H 1  2.553 0.000 . 2 . . . . 12 CYS HB1  . 11538 1 
       86 . 1 1 12 12 CYS HB3  H 1  2.955 0.002 . 2 . . . . 12 CYS HB2  . 11538 1 
       87 . 1 1 13 13 TYR H    H 1  9.164 0.001 . 1 . . . . 13 TYR HN   . 11538 1 
       88 . 1 1 13 13 TYR HA   H 1  4.767 0.000 . 1 . . . . 13 TYR HA   . 11538 1 
       89 . 1 1 13 13 TYR HB2  H 1  2.850 0.000 . 2 . . . . 13 TYR HB1  . 11538 1 
       90 . 1 1 13 13 TYR HB3  H 1  3.054 0.001 . 2 . . . . 13 TYR HB2  . 11538 1 
       91 . 1 1 13 13 TYR HD1  H 1  7.036 0.001 . 3 . . . . 13 TYR HD1  . 11538 1 
       92 . 1 1 13 13 TYR HD2  H 1  7.036 0.001 . 3 . . . . 13 TYR HD2  . 11538 1 
       93 . 1 1 13 13 TYR HE1  H 1  6.734 0.003 . 3 . . . . 13 TYR HE1  . 11538 1 
       94 . 1 1 13 13 TYR HE2  H 1  6.734 0.003 . 3 . . . . 13 TYR HE2  . 11538 1 
       95 . 1 1 14 14 ARG H    H 1  8.637 0.001 . 1 . . . . 14 ARG HN   . 11538 1 
       96 . 1 1 14 14 ARG HA   H 1  4.809 0.001 . 1 . . . . 14 ARG HA   . 11538 1 
       97 . 1 1 14 14 ARG HB2  H 1  1.697 0.000 . 2 . . . . 14 ARG HB1  . 11538 1 
       98 . 1 1 14 14 ARG HB3  H 1  1.697 0.000 . 2 . . . . 14 ARG HB2  . 11538 1 
       99 . 1 1 14 14 ARG HG2  H 1  1.346 0.000 . 2 . . . . 14 ARG HG1  . 11538 1 
      100 . 1 1 14 14 ARG HG3  H 1  1.462 0.000 . 2 . . . . 14 ARG HG2  . 11538 1 
      101 . 1 1 15 15 ARG H    H 1  8.710 0.000 . 1 . . . . 15 ARG HN   . 11538 1 
      102 . 1 1 15 15 ARG HA   H 1  4.561 0.001 . 1 . . . . 15 ARG HA   . 11538 1 
      103 . 1 1 15 15 ARG HB2  H 1  1.460 0.001 . 2 . . . . 15 ARG HB1  . 11538 1 
      104 . 1 1 15 15 ARG HB3  H 1  1.460 0.001 . 2 . . . . 15 ARG HB2  . 11538 1 
      105 . 1 1 15 15 ARG HE   H 1  7.155 0.000 . 1 . . . . 15 ARG HE   . 11538 1 
      106 . 1 1 15 15 ARG HG2  H 1  1.242 0.000 . 2 . . . . 15 ARG HG1  . 11538 1 
      107 . 1 1 15 15 ARG HG3  H 1  1.242 0.000 . 2 . . . . 15 ARG HG2  . 11538 1 
      108 . 1 1 16 16 CYS H    H 1  8.622 0.000 . 1 . . . . 16 CYS HN   . 11538 1 
      109 . 1 1 16 16 CYS HA   H 1  5.458 0.001 . 1 . . . . 16 CYS HA   . 11538 1 
      110 . 1 1 16 16 CYS HB2  H 1  2.775 0.001 . 2 . . . . 16 CYS HB1  . 11538 1 
      111 . 1 1 16 16 CYS HB3  H 1  2.995 0.000 . 2 . . . . 16 CYS HB2  . 11538 1 
      112 . 1 1 17 17 ARG H    H 1  8.919 0.000 . 1 . . . . 17 ARG HN   . 11538 1 
      113 . 1 1 17 17 ARG HA   H 1  4.567 0.001 . 1 . . . . 17 ARG HA   . 11538 1 
      114 . 1 1 17 17 ARG HB2  H 1  1.996 0.001 . 2 . . . . 17 ARG HB1  . 11538 1 
      115 . 1 1 17 17 ARG HB3  H 1  1.996 0.001 . 2 . . . . 17 ARG HB2  . 11538 1 
      116 . 1 1 17 17 ARG HD2  H 1  3.233 0.000 . 2 . . . . 17 ARG HD1  . 11538 1 
      117 . 1 1 17 17 ARG HD3  H 1  3.233 0.000 . 2 . . . . 17 ARG HD2  . 11538 1 
      118 . 1 1 17 17 ARG HG2  H 1  1.827 0.000 . 2 . . . . 17 ARG HG1  . 11538 1 
      119 . 1 1 17 17 ARG HG3  H 1  1.827 0.000 . 2 . . . . 17 ARG HG2  . 11538 1 
      120 . 1 1 18 18 NH2 HN1  H 1  7.870 0.000 . 2 . . . . 18 NH2 HN1  . 11538 1 
      121 . 1 1 18 18 NH2 HN2  H 1  7.284 0.000 . 2 . . . . 18 NH2 HN2  . 11538 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 75 11538 1 
      1 76 11538 1 
      1 77 11538 1 
      1 80 11538 1 
      1 81 11538 1 
      1 82 11538 1 

   stop_

save_