################################### # 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_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 18949 _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-15N HSQC' . . . 18949 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 7 7 HIS H H 1 8.0607 0.001 . 1 . . . . 7 HIS H . 18949 1 2 . 1 1 7 7 HIS N N 15 114.6721 0.001 . 1 . . . . 7 HIS N . 18949 1 3 . 1 1 8 8 ASP H H 1 8.3076 0.001 . 1 . . . . 8 ASP H . 18949 1 4 . 1 1 8 8 ASP N N 15 117.8402 0.001 . 1 . . . . 8 ASP N . 18949 1 5 . 1 1 10 10 VAL H H 1 7.7699 0.001 . 1 . . . . 10 VAL H . 18949 1 6 . 1 1 10 10 VAL N N 15 115.6370 0.001 . 1 . . . . 10 VAL N . 18949 1 7 . 1 1 11 11 ILE H H 1 7.7849 0.001 . 1 . . . . 11 ILE H . 18949 1 8 . 1 1 11 11 ILE N N 15 119.5217 0.001 . 1 . . . . 11 ILE N . 18949 1 9 . 1 1 12 12 VAL H H 1 7.8637 0.001 . 1 . . . . 12 VAL H . 18949 1 10 . 1 1 12 12 VAL N N 15 119.6770 0.001 . 1 . . . . 12 VAL N . 18949 1 11 . 1 1 19 19 THR H H 1 7.7468 0.001 . 1 . . . . 19 THR H . 18949 1 12 . 1 1 19 19 THR N N 15 112.0991 0.001 . 1 . . . . 19 THR N . 18949 1 13 . 1 1 20 20 LYS H H 1 7.9432 0.001 . 1 . . . . 20 LYS H . 18949 1 14 . 1 1 20 20 LYS N N 15 119.0213 0.001 . 1 . . . . 20 LYS N . 18949 1 15 . 1 1 22 22 ALA H H 1 8.1942 0.001 . 1 . . . . 22 ALA H . 18949 1 16 . 1 1 22 22 ALA N N 15 122.8899 0.001 . 1 . . . . 22 ALA N . 18949 1 17 . 1 1 23 23 GLY H H 1 8.1291 0.001 . 1 . . . . 23 GLY H . 18949 1 18 . 1 1 23 23 GLY N N 15 104.2210 0.001 . 1 . . . . 23 GLY N . 18949 1 19 . 1 1 24 24 GLY H H 1 8.0117 0.001 . 1 . . . . 24 GLY H . 18949 1 20 . 1 1 24 24 GLY N N 15 105.2927 0.001 . 1 . . . . 24 GLY N . 18949 1 21 . 1 1 26 26 VAL H H 1 7.9543 0.001 . 1 . . . . 26 VAL H . 18949 1 22 . 1 1 26 26 VAL N N 15 119.5314 0.001 . 1 . . . . 26 VAL N . 18949 1 23 . 1 1 27 27 LEU H H 1 8.0680 0.001 . 1 . . . . 27 LEU H . 18949 1 24 . 1 1 27 27 LEU N N 15 122.3315 0.001 . 1 . . . . 27 LEU N . 18949 1 25 . 1 1 28 28 THR H H 1 7.660 0.001 . 1 . . . . 28 THR H . 18949 1 26 . 1 1 28 28 THR N N 15 110.7139 0.001 . 1 . . . . 28 THR N . 18949 1 27 . 1 1 29 29 GLY H H 1 8.0433 0.001 . 1 . . . . 29 GLY H . 18949 1 28 . 1 1 29 29 GLY N N 15 107.0130 0.001 . 1 . . . . 29 GLY N . 18949 1 29 . 1 1 30 30 SER H H 1 8.0256 0.001 . 1 . . . . 30 SER H . 18949 1 30 . 1 1 31 31 ALA H H 1 8.0969 0.001 . 1 . . . . 31 ALA H . 18949 1 31 . 1 1 31 31 ALA N N 15 122.3497 0.001 . 1 . . . . 31 ALA N . 18949 1 32 . 1 1 33 33 ALA H H 1 7.8749 0.001 . 1 . . . . 33 ALA H . 18949 1 33 . 1 1 33 33 ALA N N 15 119.0084 0.001 . 1 . . . . 33 ALA N . 18949 1 34 . 1 1 34 34 LYS H H 1 7.8839 0.001 . 1 . . . . 34 LYS H . 18949 1 35 . 1 1 34 34 LYS N N 15 116.1398 0.001 . 1 . . . . 34 LYS N . 18949 1 36 . 1 1 36 36 THR H H 1 7.7528 0.001 . 1 . . . . 36 THR H . 18949 1 37 . 1 1 36 36 THR N N 15 111.8220 0.001 . 1 . . . . 36 THR N . 18949 1 38 . 1 1 37 37 ARG H H 1 7.9621 0.001 . 1 . . . . 37 ARG H . 18949 1 39 . 1 1 37 37 ARG N N 15 118.6546 0.001 . 1 . . . . 37 ARG N . 18949 1 40 . 1 1 38 38 GLY H H 1 8.1465 0.001 . 1 . . . . 38 GLY H . 18949 1 41 . 1 1 38 38 GLY N N 15 106.1336 0.001 . 1 . . . . 38 GLY N . 18949 1 42 . 1 1 41 41 LEU H H 1 8.0534 0.001 . 1 . . . . 41 LEU H . 18949 1 43 . 1 1 41 41 LEU N N 15 121.8013 0.001 . 1 . . . . 41 LEU N . 18949 1 44 . 1 1 42 42 ALA H H 1 7.9714 0.001 . 1 . . . . 42 ALA H . 18949 1 45 . 1 1 42 42 ALA N N 15 121.2574 0.001 . 1 . . . . 42 ALA N . 18949 1 46 . 1 1 43 43 VAL H H 1 7.7055 0.001 . 1 . . . . 43 VAL H . 18949 1 47 . 1 1 43 43 VAL N N 15 113.6622 0.001 . 1 . . . . 43 VAL N . 18949 1 48 . 1 1 44 44 GLY H H 1 8.1529 0.001 . 1 . . . . 44 GLY H . 18949 1 49 . 1 1 44 44 GLY N N 15 108.1232 0.001 . 1 . . . . 44 GLY N . 18949 1 50 . 1 1 45 45 ASN H H 1 8.1404 0.001 . 1 . . . . 45 ASN H . 18949 1 51 . 1 1 45 45 ASN N N 15 116.9270 0.001 . 1 . . . . 45 ASN N . 18949 1 52 . 1 1 50 50 GLU H H 1 7.9015 0.001 . 1 . . . . 50 GLU H . 18949 1 53 . 1 1 50 50 GLU N N 15 117.3302 0.001 . 1 . . . . 50 GLU N . 18949 1 54 . 1 1 51 51 ASN H H 1 8.1830 0.001 . 1 . . . . 51 ASN H . 18949 1 55 . 1 1 51 51 ASN N N 15 117.2805 0.001 . 1 . . . . 51 ASN N . 18949 1 56 . 1 1 62 62 GLY H H 1 8.1503 0.001 . 1 . . . . 62 GLY H . 18949 1 57 . 1 1 62 62 GLY N N 15 108.1137 0.001 . 1 . . . . 62 GLY N . 18949 1 58 . 1 1 65 65 VAL H H 1 7.8279 0.001 . 1 . . . . 65 VAL H . 18949 1 59 . 1 1 65 65 VAL N N 15 118.8934 0.001 . 1 . . . . 65 VAL N . 18949 1 60 . 1 1 69 69 ASP H H 1 8.3260 0.001 . 1 . . . . 69 ASP H . 18949 1 61 . 1 1 69 69 ASP N N 15 117.9781 0.001 . 1 . . . . 69 ASP N . 18949 1 62 . 1 1 70 70 GLY H H 1 8.1276 0.001 . 1 . . . . 70 GLY H . 18949 1 63 . 1 1 70 70 GLY N N 15 104.6762 0.001 . 1 . . . . 70 GLY N . 18949 1 64 . 1 1 71 71 TYR H H 1 7.8771 0.001 . 1 . . . . 71 TYR H . 18949 1 65 . 1 1 71 71 TYR N N 15 116.7395 0.001 . 1 . . . . 71 TYR N . 18949 1 66 . 1 1 72 72 GLY H H 1 8.2270 0.001 . 1 . . . . 72 GLY H . 18949 1 67 . 1 1 72 72 GLY N N 15 106.7403 0.001 . 1 . . . . 72 GLY N . 18949 1 68 . 1 1 73 73 VAL H H 1 7.8138 0.001 . 1 . . . . 73 VAL H . 18949 1 69 . 1 1 73 73 VAL N N 15 114.8482 0.001 . 1 . . . . 73 VAL N . 18949 1 70 . 1 1 79 79 ASP H H 1 8.229 0.001 . 1 . . . . 79 ASP H . 18949 1 71 . 1 1 79 79 ASP N N 15 120.0108 0.001 . 1 . . . . 79 ASP N . 18949 1 72 . 1 1 84 84 ASP H H 1 8.0088 0.001 . 1 . . . . 84 ASP H . 18949 1 73 . 1 1 84 84 ASP N N 15 121.8102 0.001 . 1 . . . . 84 ASP N . 18949 1 74 . 1 1 88 88 GLU H H 1 8.0526 0.001 . 1 . . . . 88 GLU H . 18949 1 75 . 1 1 88 88 GLU N N 15 118.6620 0.001 . 1 . . . . 88 GLU N . 18949 1 76 . 1 1 89 89 SER H H 1 7.9099 0.001 . 1 . . . . 89 SER H . 18949 1 77 . 1 1 90 90 ASP H H 1 8.2585 0.001 . 1 . . . . 90 ASP H . 18949 1 78 . 1 1 90 90 ASP N N 15 119.1491 0.001 . 1 . . . . 90 ASP N . 18949 1 79 . 1 1 91 91 ILE H H 1 7.6180 0.001 . 1 . . . . 91 ILE H . 18949 1 80 . 1 1 91 91 ILE N N 15 115.3892 0.001 . 1 . . . . 91 ILE N . 18949 1 81 . 1 1 93 93 ALA H H 1 7.8761 0.001 . 1 . . . . 93 ALA H . 18949 1 82 . 1 1 93 93 ALA N N 15 120.5585 0.001 . 1 . . . . 93 ALA N . 18949 1 83 . 1 1 94 94 ILE H H 1 7.7332 0.001 . 1 . . . . 94 ILE H . 18949 1 84 . 1 1 94 94 ILE N N 15 115.1860 0.001 . 1 . . . . 94 ILE N . 18949 1 85 . 1 1 95 95 VAL H H 1 7.7812 0.001 . 1 . . . . 95 VAL H . 18949 1 86 . 1 1 95 95 VAL N N 15 117.2669 0.001 . 1 . . . . 95 VAL N . 18949 1 87 . 1 1 97 97 ALA H H 1 8.1295 0.001 . 1 . . . . 97 ALA H . 18949 1 88 . 1 1 97 97 ALA N N 15 121.0726 0.001 . 1 . . . . 97 ALA N . 18949 1 stop_ save_