################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 50590 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name WRKY1-C(273-343) _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 $chem_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-15N HSQC' . . . 50590 1 2 '3D CBCA(CO)NH' . . . 50590 1 3 '3D HNCACB' . . . 50590 1 4 '3D HNCA' . . . 50590 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 $software_1 . . 50590 1 2 $software_2 . . 50590 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 5 5 GLN H H 1 8.263 . . . . . . . . 5 Q HN . 50590 1 2 . 1 . 1 5 5 GLN N N 15 120.808 . . . . . . . . 5 Q N . 50590 1 3 . 1 . 1 6 6 THR H H 1 8.300 . . . . . . . . 6 T HN . 50590 1 4 . 1 . 1 6 6 THR N N 15 115.921 . . . . . . . . 6 T N . 50590 1 5 . 1 . 1 7 7 LEU H H 1 8.137 . . . . . . . . 7 L HN . 50590 1 6 . 1 . 1 7 7 LEU N N 15 123.593 . . . . . . . . 7 L N . 50590 1 7 . 1 . 1 22 22 GLN H H 1 8.288 . . . . . . . . 22 Q HN . 50590 1 8 . 1 . 1 22 22 GLN N N 15 107.606 . . . . . . . . 22 Q N . 50590 1 9 . 1 . 1 23 23 LYS H H 1 8.060 . . . . . . . . 23 K HN . 50590 1 10 . 1 . 1 23 23 LYS N N 15 117.413 . . . . . . . . 23 K N . 50590 1 11 . 1 . 1 24 24 SER H H 1 8.965 . . . . . . . . 24 S HN . 50590 1 12 . 1 . 1 24 24 SER N N 15 121.235 . . . . . . . . 24 S N . 50590 1 13 . 1 . 1 25 25 VAL H H 1 8.446 . . . . . . . . 25 V HN . 50590 1 14 . 1 . 1 25 25 VAL N N 15 120.791 . . . . . . . . 25 V N . 50590 1 15 . 1 . 1 26 26 LYS H H 1 9.687 . . . . . . . . 26 K HN . 50590 1 16 . 1 . 1 26 26 LYS N N 15 121.575 . . . . . . . . 26 K N . 50590 1 17 . 1 . 1 27 27 GLY H H 1 9.325 . . . . . . . . 27 G HN . 50590 1 18 . 1 . 1 27 27 GLY N N 15 129.665 . . . . . . . . 27 G N . 50590 1 19 . 1 . 1 28 28 SER H H 1 9.034 . . . . . . . . 28 S HN . 50590 1 20 . 1 . 1 28 28 SER N N 15 124.073 . . . . . . . . 28 S N . 50590 1 21 . 1 . 1 29 29 PRO H H 1 7.264 . . . . . . . . 29 P HN . 50590 1 22 . 1 . 1 29 29 PRO N N 15 108.621 . . . . . . . . 29 P N . 50590 1 23 . 1 . 1 30 30 TYR H H 1 8.415 . . . . . . . . 30 Y HN . 50590 1 24 . 1 . 1 30 30 TYR N N 15 118.618 . . . . . . . . 30 Y N . 50590 1 25 . 1 . 1 31 31 PRO H H 1 9.151 . . . . . . . . 31 P HN . 50590 1 26 . 1 . 1 31 31 PRO N N 15 122.943 . . . . . . . . 31 P N . 50590 1 27 . 1 . 1 32 32 ARG H H 1 8.603 . . . . . . . . 32 R HN . 50590 1 28 . 1 . 1 32 32 ARG N N 15 118.437 . . . . . . . . 32 R N . 50590 1 29 . 1 . 1 33 33 SER H H 1 9.297 . . . . . . . . 33 S HN . 50590 1 30 . 1 . 1 33 33 SER N N 15 125.470 . . . . . . . . 33 S N . 50590 1 31 . 1 . 1 34 34 TYR H H 1 8.606 . . . . . . . . 34 Y HN . 50590 1 32 . 1 . 1 34 34 TYR N N 15 127.534 . . . . . . . . 34 Y N . 50590 1 33 . 1 . 1 35 35 TYR H H 1 8.843 . . . . . . . . 35 Y HN . 50590 1 34 . 1 . 1 35 35 TYR N N 15 112.603 . . . . . . . . 35 Y N . 50590 1 35 . 1 . 1 36 36 ARG H H 1 7.820 . . . . . . . . 36 R HN . 50590 1 36 . 1 . 1 36 36 ARG N N 15 114.177 . . . . . . . . 36 R N . 50590 1 37 . 1 . 1 38 38 SER H H 1 7.941 . . . . . . . . 38 S HN . 50590 1 38 . 1 . 1 38 38 SER N N 15 121.025 . . . . . . . . 38 S N . 50590 1 39 . 1 . 1 40 40 PRO H H 1 8.871 . . . . . . . . 40 P HN . 50590 1 40 . 1 . 1 40 40 PRO N N 15 122.422 . . . . . . . . 40 P N . 50590 1 41 . 1 . 1 41 41 GLY H H 1 8.900 . . . . . . . . 41 G HN . 50590 1 42 . 1 . 1 41 41 GLY N N 15 122.254 . . . . . . . . 41 G N . 50590 1 43 . 1 . 1 42 42 CYS H H 1 8.400 . . . . . . . . 42 C HN . 50590 1 44 . 1 . 1 42 42 CYS N N 15 122.330 . . . . . . . . 42 C N . 50590 1 45 . 1 . 1 43 43 PRO H H 1 9.521 . . . . . . . . 43 P HN . 50590 1 46 . 1 . 1 43 43 PRO N N 15 119.395 . . . . . . . . 43 P N . 50590 1 47 . 1 . 1 44 44 VAL H H 1 9.638 . . . . . . . . 44 V HN . 50590 1 48 . 1 . 1 44 44 VAL N N 15 120.151 . . . . . . . . 44 V N . 50590 1 49 . 1 . 1 45 45 LYS H H 1 8.394 . . . . . . . . 45 K HN . 50590 1 50 . 1 . 1 45 45 LYS N N 15 127.834 . . . . . . . . 45 K N . 50590 1 51 . 1 . 1 46 46 LYS H H 1 8.781 . . . . . . . . 46 K HN . 50590 1 52 . 1 . 1 46 46 LYS N N 15 123.526 . . . . . . . . 46 K N . 50590 1 53 . 1 . 1 47 47 HIS H H 1 8.635 . . . . . . . . 47 H HN . 50590 1 54 . 1 . 1 47 47 HIS N N 15 124.003 . . . . . . . . 47 H N . 50590 1 55 . 1 . 1 49 49 GLU H H 1 8.921 . . . . . . . . 49 E HN . 50590 1 56 . 1 . 1 49 49 GLU N N 15 115.317 . . . . . . . . 49 E N . 50590 1 57 . 1 . 1 50 50 ARG H H 1 8.089 . . . . . . . . 50 R HN . 50590 1 58 . 1 . 1 50 50 ARG N N 15 126.261 . . . . . . . . 50 R N . 50590 1 59 . 1 . 1 52 52 SER H H 1 8.323 . . . . . . . . 52 S HN . 50590 1 60 . 1 . 1 52 52 SER N N 15 123.313 . . . . . . . . 52 S N . 50590 1 61 . 1 . 1 53 53 HIS H H 1 8.614 . . . . . . . . 53 H HN . 50590 1 62 . 1 . 1 53 53 HIS N N 15 127.043 . . . . . . . . 53 H N . 50590 1 63 . 1 . 1 54 54 ASP H H 1 8.868 . . . . . . . . 54 D HN . 50590 1 64 . 1 . 1 54 54 ASP N N 15 116.775 . . . . . . . . 54 D N . 50590 1 65 . 1 . 1 55 55 THR H H 1 8.544 . . . . . . . . 55 T HN . 50590 1 66 . 1 . 1 55 55 THR N N 15 118.976 . . . . . . . . 55 T N . 50590 1 67 . 1 . 1 56 56 LYS H H 1 8.788 . . . . . . . . 56 K HN . 50590 1 68 . 1 . 1 56 56 LYS N N 15 120.476 . . . . . . . . 56 K N . 50590 1 69 . 1 . 1 57 57 LEU H H 1 8.911 . . . . . . . . 57 L HN . 50590 1 70 . 1 . 1 57 57 LEU N N 15 126.155 . . . . . . . . 57 L N . 50590 1 71 . 1 . 1 58 58 LEU H H 1 8.970 . . . . . . . . 58 L HN . 50590 1 72 . 1 . 1 58 58 LEU N N 15 126.796 . . . . . . . . 58 L N . 50590 1 73 . 1 . 1 59 59 ILE H H 1 8.328 . . . . . . . . 59 I HN . 50590 1 74 . 1 . 1 59 59 ILE N N 15 119.008 . . . . . . . . 59 I N . 50590 1 75 . 1 . 1 60 60 THR H H 1 8.430 . . . . . . . . 60 T HN . 50590 1 76 . 1 . 1 60 60 THR N N 15 118.618 . . . . . . . . 60 T N . 50590 1 77 . 1 . 1 61 61 THR H H 1 8.081 . . . . . . . . 61 T HN . 50590 1 78 . 1 . 1 61 61 THR N N 15 121.326 . . . . . . . . 61 T N . 50590 1 79 . 1 . 1 62 62 TYR H H 1 7.343 . . . . . . . . 62 Y HN . 50590 1 80 . 1 . 1 62 62 TYR N N 15 119.321 . . . . . . . . 62 Y N . 50590 1 81 . 1 . 1 63 63 GLU H H 1 8.305 . . . . . . . . 63 E HN . 50590 1 82 . 1 . 1 63 63 GLU N N 15 113.525 . . . . . . . . 63 E N . 50590 1 83 . 1 . 1 64 64 GLY H H 1 8.090 . . . . . . . . 64 G HN . 50590 1 84 . 1 . 1 64 64 GLY N N 15 120.824 . . . . . . . . 64 G N . 50590 1 85 . 1 . 1 68 68 HIS H H 1 9.134 . . . . . . . . 68 H HN . 50590 1 86 . 1 . 1 68 68 HIS N N 15 127.185 . . . . . . . . 68 H N . 50590 1 87 . 1 . 1 69 69 ASP H H 1 8.798 . . . . . . . . 69 D HN . 50590 1 88 . 1 . 1 69 69 ASP N N 15 123.532 . . . . . . . . 69 D N . 50590 1 89 . 1 . 1 70 70 MET H H 1 9.565 . . . . . . . . 70 M HN . 50590 1 90 . 1 . 1 70 70 MET N N 15 126.064 . . . . . . . . 70 M N . 50590 1 91 . 1 . 1 71 71 PRO H H 1 9.069 . . . . . . . . 71 P HN . 50590 1 92 . 1 . 1 71 71 PRO N N 15 120.885 . . . . . . . . 71 P N . 50590 1 93 . 1 . 1 72 72 PRO H H 1 8.342 . . . . . . . . 72 P HN . 50590 1 94 . 1 . 1 72 72 PRO N N 15 111.270 . . . . . . . . 72 P N . 50590 1 stop_ save_