################################### # 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 50586 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name WRKY1-C(265-343) _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' . . . 50586 1 2 '3D CBCA(CO)NH' . . . 50586 1 3 '3D HNCACB' . . . 50586 1 4 '3D HNCA' . . . 50586 1 5 '3D HN(CO)CA' . . . 50586 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 . . 50586 1 2 $software_2 . . 50586 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 ASP H H 1 8.263 . . . . . . . . 5 D HN . 50586 1 2 . 1 . 1 5 5 ASP N N 15 120.808 . . . . . . . . 5 D N . 50586 1 3 . 1 . 1 6 6 SER H H 1 8.300 . . . . . . . . 6 S HN . 50586 1 4 . 1 . 1 6 6 SER N N 15 115.921 . . . . . . . . 6 S N . 50586 1 5 . 1 . 1 7 7 ARG H H 1 8.137 . . . . . . . . 7 R HN . 50586 1 6 . 1 . 1 7 7 ARG N N 15 123.593 . . . . . . . . 7 R N . 50586 1 7 . 1 . 1 22 22 GLY H H 1 8.288 . . . . . . . . 22 G HN . 50586 1 8 . 1 . 1 22 22 GLY N N 15 107.606 . . . . . . . . 22 G N . 50586 1 9 . 1 . 1 23 23 TYR H H 1 8.060 . . . . . . . . 23 Y HN . 50586 1 10 . 1 . 1 23 23 TYR N N 15 117.413 . . . . . . . . 23 Y N . 50586 1 11 . 1 . 1 24 24 ARG H H 1 8.965 . . . . . . . . 24 R HN . 50586 1 12 . 1 . 1 24 24 ARG N N 15 121.235 . . . . . . . . 24 R N . 50586 1 13 . 1 . 1 25 25 TRP H H 1 8.446 . . . . . . . . 25 W HN . 50586 1 14 . 1 . 1 25 25 TRP N N 15 120.791 . . . . . . . . 25 W N . 50586 1 15 . 1 . 1 26 26 ARG H H 1 9.687 . . . . . . . . 26 R HN . 50586 1 16 . 1 . 1 26 26 ARG N N 15 121.575 . . . . . . . . 26 R N . 50586 1 17 . 1 . 1 27 27 LYS H H 1 9.325 . . . . . . . . 27 K HN . 50586 1 18 . 1 . 1 27 27 LYS N N 15 129.665 . . . . . . . . 27 K N . 50586 1 19 . 1 . 1 28 28 TYR H H 1 9.034 . . . . . . . . 28 Y HN . 50586 1 20 . 1 . 1 28 28 TYR N N 15 124.073 . . . . . . . . 28 Y N . 50586 1 21 . 1 . 1 29 29 GLY H H 1 7.264 . . . . . . . . 29 G HN . 50586 1 22 . 1 . 1 29 29 GLY N N 15 108.621 . . . . . . . . 29 G N . 50586 1 23 . 1 . 1 30 30 GLN H H 1 8.415 . . . . . . . . 30 Q HN . 50586 1 24 . 1 . 1 30 30 GLN N N 15 118.618 . . . . . . . . 30 Q N . 50586 1 25 . 1 . 1 31 31 LYS H H 1 9.151 . . . . . . . . 31 K HN . 50586 1 26 . 1 . 1 31 31 LYS N N 15 122.943 . . . . . . . . 31 K N . 50586 1 27 . 1 . 1 32 32 SER H H 1 8.603 . . . . . . . . 32 S HN . 50586 1 28 . 1 . 1 32 32 SER N N 15 118.437 . . . . . . . . 32 S N . 50586 1 29 . 1 . 1 33 33 VAL H H 1 9.297 . . . . . . . . 33 V HN . 50586 1 30 . 1 . 1 33 33 VAL N N 15 125.470 . . . . . . . . 33 V N . 50586 1 31 . 1 . 1 34 34 LYS H H 1 8.606 . . . . . . . . 34 K HN . 50586 1 32 . 1 . 1 34 34 LYS N N 15 127.534 . . . . . . . . 34 K N . 50586 1 33 . 1 . 1 35 35 GLY H H 1 8.843 . . . . . . . . 35 G HN . 50586 1 34 . 1 . 1 35 35 GLY N N 15 112.603 . . . . . . . . 35 G N . 50586 1 35 . 1 . 1 36 36 SER H H 1 7.820 . . . . . . . . 36 S HN . 50586 1 36 . 1 . 1 36 36 SER N N 15 114.177 . . . . . . . . 36 S N . 50586 1 37 . 1 . 1 38 38 TYR H H 1 7.941 . . . . . . . . 38 Y HN . 50586 1 38 . 1 . 1 38 38 TYR N N 15 121.025 . . . . . . . . 38 Y N . 50586 1 39 . 1 . 1 40 40 ARG H H 1 8.871 . . . . . . . . 40 R HN . 50586 1 40 . 1 . 1 40 40 ARG N N 15 122.422 . . . . . . . . 40 R N . 50586 1 41 . 1 . 1 41 41 SER H H 1 8.900 . . . . . . . . 41 S HN . 50586 1 42 . 1 . 1 41 41 SER N N 15 122.254 . . . . . . . . 41 S N . 50586 1 43 . 1 . 1 42 42 TYR H H 1 8.400 . . . . . . . . 42 Y HN . 50586 1 44 . 1 . 1 42 42 TYR N N 15 122.330 . . . . . . . . 42 Y N . 50586 1 45 . 1 . 1 43 43 TYR H H 1 9.521 . . . . . . . . 43 Y HN . 50586 1 46 . 1 . 1 43 43 TYR N N 15 119.395 . . . . . . . . 43 Y N . 50586 1 47 . 1 . 1 44 44 ARG H H 1 9.638 . . . . . . . . 44 R HN . 50586 1 48 . 1 . 1 44 44 ARG N N 15 120.151 . . . . . . . . 44 R N . 50586 1 49 . 1 . 1 45 45 CYS H H 1 8.394 . . . . . . . . 45 C HN . 50586 1 50 . 1 . 1 45 45 CYS N N 15 127.834 . . . . . . . . 45 C N . 50586 1 51 . 1 . 1 46 46 SER H H 1 8.781 . . . . . . . . 46 S HN . 50586 1 52 . 1 . 1 46 46 SER N N 15 123.526 . . . . . . . . 46 S N . 50586 1 53 . 1 . 1 47 47 SER H H 1 8.635 . . . . . . . . 47 S HN . 50586 1 54 . 1 . 1 47 47 SER N N 15 124.003 . . . . . . . . 47 S N . 50586 1 55 . 1 . 1 49 49 GLY H H 1 8.921 . . . . . . . . 49 G HN . 50586 1 56 . 1 . 1 49 49 GLY N N 15 115.317 . . . . . . . . 49 G N . 50586 1 57 . 1 . 1 50 50 CYS H H 1 8.089 . . . . . . . . 50 C HN . 50586 1 58 . 1 . 1 50 50 CYS N N 15 126.261 . . . . . . . . 50 C N . 50586 1 59 . 1 . 1 52 52 VAL H H 1 8.323 . . . . . . . . 52 V HN . 50586 1 60 . 1 . 1 52 52 VAL N N 15 123.313 . . . . . . . . 52 V N . 50586 1 61 . 1 . 1 53 53 LYS H H 1 8.614 . . . . . . . . 53 K HN . 50586 1 62 . 1 . 1 53 53 LYS N N 15 127.043 . . . . . . . . 53 K N . 50586 1 63 . 1 . 1 54 54 LYS H H 1 8.868 . . . . . . . . 54 K HN . 50586 1 64 . 1 . 1 54 54 LYS N N 15 116.775 . . . . . . . . 54 K N . 50586 1 65 . 1 . 1 55 55 HIS H H 1 8.544 . . . . . . . . 55 H HN . 50586 1 66 . 1 . 1 55 55 HIS N N 15 118.976 . . . . . . . . 55 H N . 50586 1 67 . 1 . 1 56 56 VAL H H 1 8.788 . . . . . . . . 56 V HN . 50586 1 68 . 1 . 1 56 56 VAL N N 15 120.476 . . . . . . . . 56 V N . 50586 1 69 . 1 . 1 57 57 GLU H H 1 8.911 . . . . . . . . 57 E HN . 50586 1 70 . 1 . 1 57 57 GLU N N 15 126.155 . . . . . . . . 57 E N . 50586 1 71 . 1 . 1 58 58 ARG H H 1 8.970 . . . . . . . . 58 R HN . 50586 1 72 . 1 . 1 58 58 ARG N N 15 126.796 . . . . . . . . 58 R N . 50586 1 73 . 1 . 1 59 59 SER H H 1 8.328 . . . . . . . . 59 S HN . 50586 1 74 . 1 . 1 59 59 SER N N 15 119.008 . . . . . . . . 59 S N . 50586 1 75 . 1 . 1 60 60 SER H H 1 8.430 . . . . . . . . 60 S HN . 50586 1 76 . 1 . 1 60 60 SER N N 15 118.618 . . . . . . . . 60 S N . 50586 1 77 . 1 . 1 61 61 HIS H H 1 8.081 . . . . . . . . 61 H HN . 50586 1 78 . 1 . 1 61 61 HIS N N 15 121.326 . . . . . . . . 61 H N . 50586 1 79 . 1 . 1 62 62 ASP H H 1 7.343 . . . . . . . . 62 D HN . 50586 1 80 . 1 . 1 62 62 ASP N N 15 119.321 . . . . . . . . 62 D N . 50586 1 81 . 1 . 1 63 63 THR H H 1 8.305 . . . . . . . . 63 T HN . 50586 1 82 . 1 . 1 63 63 THR N N 15 113.525 . . . . . . . . 63 T N . 50586 1 83 . 1 . 1 64 64 LYS H H 1 8.090 . . . . . . . . 64 K HN . 50586 1 84 . 1 . 1 64 64 LYS N N 15 120.824 . . . . . . . . 64 K N . 50586 1 85 . 1 . 1 68 68 THR H H 1 9.134 . . . . . . . . 68 T HN . 50586 1 86 . 1 . 1 68 68 THR N N 15 127.185 . . . . . . . . 68 T N . 50586 1 87 . 1 . 1 69 69 THR H H 1 8.798 . . . . . . . . 69 T HN . 50586 1 88 . 1 . 1 69 69 THR N N 15 123.532 . . . . . . . . 69 T N . 50586 1 89 . 1 . 1 70 70 TYR H H 1 9.565 . . . . . . . . 70 Y HN . 50586 1 90 . 1 . 1 70 70 TYR N N 15 126.064 . . . . . . . . 70 Y N . 50586 1 91 . 1 . 1 71 71 GLU H H 1 9.069 . . . . . . . . 71 E HN . 50586 1 92 . 1 . 1 71 71 GLU N N 15 120.885 . . . . . . . . 71 E N . 50586 1 93 . 1 . 1 72 72 GLY H H 1 8.342 . . . . . . . . 72 G HN . 50586 1 94 . 1 . 1 72 72 GLY N N 15 111.270 . . . . . . . . 72 G N . 50586 1 95 . 1 . 1 73 73 LYS H H 1 8.032 . . . . . . . . 73 K HN . 50586 1 96 . 1 . 1 73 73 LYS N N 15 118.738 . . . . . . . . 73 K N . 50586 1 97 . 1 . 1 74 74 HIS H H 1 8.276 . . . . . . . . 74 H HN . 50586 1 98 . 1 . 1 74 74 HIS N N 15 123.497 . . . . . . . . 74 H N . 50586 1 99 . 1 . 1 75 75 ASP H H 1 8.600 . . . . . . . . 75 D HN . 50586 1 100 . 1 . 1 75 75 ASP N N 15 125.158 . . . . . . . . 75 D N . 50586 1 101 . 1 . 1 76 76 HIS H H 1 6.798 . . . . . . . . 76 H HN . 50586 1 102 . 1 . 1 76 76 HIS N N 15 112.240 . . . . . . . . 76 H N . 50586 1 103 . 1 . 1 77 77 ASP H H 1 8.870 . . . . . . . . 77 D HN . 50586 1 104 . 1 . 1 77 77 ASP N N 15 120.122 . . . . . . . . 77 D N . 50586 1 105 . 1 . 1 78 78 MET H H 1 8.880 . . . . . . . . 78 M HN . 50586 1 106 . 1 . 1 78 78 MET N N 15 124.968 . . . . . . . . 78 M N . 50586 1 stop_ save_