################################### # 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 26956 _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' . . . 26956 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 3 3 HIS H H 1 8.688 . . . . . . . 0 H H . 26956 1 2 . 1 1 3 3 HIS N N 15 121.158 . . . . . . . 0 H N . 26956 1 3 . 1 1 4 4 MET H H 1 8.409 . . . . . . . 1 M H . 26956 1 4 . 1 1 4 4 MET N N 15 122.081 . . . . . . . 1 M N . 26956 1 5 . 1 1 5 5 ALA H H 1 8.414 . . . . . . . 2 A H . 26956 1 6 . 1 1 5 5 ALA N N 15 125.472 . . . . . . . 2 A N . 26956 1 7 . 1 1 6 6 CYS H H 1 8.787 . . . . . . . 3 C H . 26956 1 8 . 1 1 6 6 CYS N N 15 120.581 . . . . . . . 3 C N . 26956 1 9 . 1 1 8 8 LEU H H 1 10.694 . . . . . . . 5 L H . 26956 1 10 . 1 1 8 8 LEU N N 15 121.858 . . . . . . . 5 L N . 26956 1 11 . 1 1 9 9 GLU H H 1 7.010 . . . . . . . 6 E H . 26956 1 12 . 1 1 9 9 GLU N N 15 116.939 . . . . . . . 6 E N . 26956 1 13 . 1 1 10 10 LYS H H 1 8.117 . . . . . . . 7 K H . 26956 1 14 . 1 1 10 10 LYS N N 15 119.703 . . . . . . . 7 K N . 26956 1 15 . 1 1 11 11 ALA H H 1 8.399 . . . . . . . 8 A H . 26956 1 16 . 1 1 11 11 ALA N N 15 122.199 . . . . . . . 8 A N . 26956 1 17 . 1 1 12 12 LEU H H 1 8.550 . . . . . . . 9 L H . 26956 1 18 . 1 1 12 12 LEU N N 15 116.834 . . . . . . . 9 L N . 26956 1 19 . 1 1 13 13 ASP H H 1 8.514 . . . . . . . 10 D H . 26956 1 20 . 1 1 13 13 ASP N N 15 118.317 . . . . . . . 10 D N . 26956 1 21 . 1 1 14 14 VAL H H 1 8.573 . . . . . . . 11 V H . 26956 1 22 . 1 1 14 14 VAL N N 15 118.777 . . . . . . . 11 V N . 26956 1 23 . 1 1 15 15 MET H H 1 8.609 . . . . . . . 12 M H . 26956 1 24 . 1 1 15 15 MET N N 15 124.549 . . . . . . . 12 M N . 26956 1 25 . 1 1 16 16 VAL H H 1 8.491 . . . . . . . 13 V H . 26956 1 26 . 1 1 16 16 VAL N N 15 121.501 . . . . . . . 13 V N . 26956 1 27 . 1 1 17 17 SER H H 1 9.173 . . . . . . . 14 S H . 26956 1 28 . 1 1 17 17 SER N N 15 115.599 . . . . . . . 14 S N . 26956 1 29 . 1 1 18 18 THR H H 1 8.710 . . . . . . . 15 T H . 26956 1 30 . 1 1 18 18 THR N N 15 118.693 . . . . . . . 15 T N . 26956 1 31 . 1 1 19 19 PHE H H 1 6.981 . . . . . . . 16 F H . 26956 1 32 . 1 1 19 19 PHE N N 15 119.357 . . . . . . . 16 F N . 26956 1 33 . 1 1 20 20 HIS H H 1 7.130 . . . . . . . 17 H H . 26956 1 34 . 1 1 20 20 HIS N N 15 115.430 . . . . . . . 17 H N . 26956 1 35 . 1 1 21 21 LYS H H 1 7.892 . . . . . . . 18 K H . 26956 1 36 . 1 1 21 21 LYS N N 15 122.008 . . . . . . . 18 K N . 26956 1 37 . 1 1 22 22 TYR H H 1 6.742 . . . . . . . 19 Y H . 26956 1 38 . 1 1 22 22 TYR N N 15 113.026 . . . . . . . 19 Y N . 26956 1 39 . 1 1 23 23 SER H H 1 8.549 . . . . . . . 20 S H . 26956 1 40 . 1 1 23 23 SER N N 15 114.420 . . . . . . . 20 S N . 26956 1 41 . 1 1 24 24 GLY H H 1 7.663 . . . . . . . 21 G H . 26956 1 42 . 1 1 24 24 GLY N N 15 110.023 . . . . . . . 21 G N . 26956 1 43 . 1 1 25 25 LYS H H 1 7.172 . . . . . . . 22 K H . 26956 1 44 . 1 1 25 25 LYS N N 15 121.938 . . . . . . . 22 K N . 26956 1 45 . 1 1 26 26 GLU H H 1 9.607 . . . . . . . 23 E H . 26956 1 46 . 1 1 26 26 GLU N N 15 116.499 . . . . . . . 23 E N . 26956 1 47 . 1 1 27 27 GLY H H 1 8.990 . . . . . . . 24 G H . 26956 1 48 . 1 1 27 27 GLY N N 15 113.572 . . . . . . . 24 G N . 26956 1 49 . 1 1 28 28 ASP H H 1 8.557 . . . . . . . 25 D H . 26956 1 50 . 1 1 28 28 ASP N N 15 126.120 . . . . . . . 25 D N . 26956 1 51 . 1 1 29 29 LYS H H 1 9.433 . . . . . . . 26 K H . 26956 1 52 . 1 1 29 29 LYS N N 15 132.219 . . . . . . . 26 K N . 26956 1 53 . 1 1 30 30 PHE H H 1 9.555 . . . . . . . 27 F H . 26956 1 54 . 1 1 30 30 PHE N N 15 120.304 . . . . . . . 27 F N . 26956 1 55 . 1 1 31 31 LYS H H 1 7.130 . . . . . . . 28 K H . 26956 1 56 . 1 1 31 31 LYS N N 15 115.322 . . . . . . . 28 K N . 26956 1 57 . 1 1 32 32 LEU H H 1 9.539 . . . . . . . 29 L H . 26956 1 58 . 1 1 32 32 LEU N N 15 125.802 . . . . . . . 29 L N . 26956 1 59 . 1 1 33 33 ASN H H 1 9.653 . . . . . . . 30 N H . 26956 1 60 . 1 1 33 33 ASN N N 15 124.020 . . . . . . . 30 N N . 26956 1 61 . 1 1 34 34 LYS H H 1 8.332 . . . . . . . 31 K H . 26956 1 62 . 1 1 34 34 LYS N N 15 116.421 . . . . . . . 31 K N . 26956 1 63 . 1 1 35 35 SER H H 1 7.713 . . . . . . . 32 S H . 26956 1 64 . 1 1 35 35 SER N N 15 114.828 . . . . . . . 32 S N . 26956 1 65 . 1 1 36 36 GLU H H 1 8.822 . . . . . . . 33 E H . 26956 1 66 . 1 1 36 36 GLU N N 15 124.114 . . . . . . . 33 E N . 26956 1 67 . 1 1 37 37 LEU H H 1 8.936 . . . . . . . 34 L H . 26956 1 68 . 1 1 37 37 LEU N N 15 118.473 . . . . . . . 34 L N . 26956 1 69 . 1 1 38 38 LYS H H 1 8.048 . . . . . . . 35 K H . 26956 1 70 . 1 1 38 38 LYS N N 15 118.548 . . . . . . . 35 K N . 26956 1 71 . 1 1 39 39 GLU H H 1 7.762 . . . . . . . 36 E H . 26956 1 72 . 1 1 39 39 GLU N N 15 121.256 . . . . . . . 36 E N . 26956 1 73 . 1 1 40 40 LEU H H 1 7.871 . . . . . . . 37 L H . 26956 1 74 . 1 1 40 40 LEU N N 15 121.159 . . . . . . . 37 L N . 26956 1 75 . 1 1 41 41 LEU H H 1 8.605 . . . . . . . 38 L H . 26956 1 76 . 1 1 41 41 LEU N N 15 118.398 . . . . . . . 38 L N . 26956 1 77 . 1 1 42 42 THR H H 1 7.878 . . . . . . . 39 T H . 26956 1 78 . 1 1 42 42 THR N N 15 108.535 . . . . . . . 39 T N . 26956 1 79 . 1 1 43 43 ARG H H 1 8.170 . . . . . . . 40 R H . 26956 1 80 . 1 1 43 43 ARG N N 15 116.413 . . . . . . . 40 R N . 26956 1 81 . 1 1 44 44 GLU H H 1 8.523 . . . . . . . 41 E H . 26956 1 82 . 1 1 44 44 GLU N N 15 112.926 . . . . . . . 41 E N . 26956 1 83 . 1 1 45 45 LEU H H 1 7.486 . . . . . . . 42 L H . 26956 1 84 . 1 1 45 45 LEU N N 15 118.357 . . . . . . . 42 L N . 26956 1 85 . 1 1 47 47 SER H H 1 9.702 . . . . . . . 44 S H . 26956 1 86 . 1 1 47 47 SER N N 15 116.963 . . . . . . . 44 S N . 26956 1 87 . 1 1 48 48 PHE H H 1 8.084 . . . . . . . 45 F H . 26956 1 88 . 1 1 48 48 PHE N N 15 119.837 . . . . . . . 45 F N . 26956 1 89 . 1 1 49 49 LEU H H 1 7.822 . . . . . . . 46 L H . 26956 1 90 . 1 1 49 49 LEU N N 15 119.374 . . . . . . . 46 L N . 26956 1 91 . 1 1 50 50 GLY H H 1 7.986 . . . . . . . 47 G H . 26956 1 92 . 1 1 50 50 GLY N N 15 107.019 . . . . . . . 47 G N . 26956 1 93 . 1 1 51 51 LYS H H 1 8.466 . . . . . . . 48 K H . 26956 1 94 . 1 1 51 51 LYS N N 15 120.519 . . . . . . . 48 K N . 26956 1 95 . 1 1 52 52 ARG H H 1 8.066 . . . . . . . 49 R H . 26956 1 96 . 1 1 52 52 ARG N N 15 119.805 . . . . . . . 49 R N . 26956 1 97 . 1 1 53 53 THR H H 1 7.973 . . . . . . . 50 T H . 26956 1 98 . 1 1 53 53 THR N N 15 112.426 . . . . . . . 50 T N . 26956 1 99 . 1 1 54 54 ASP H H 1 8.078 . . . . . . . 51 D H . 26956 1 100 . 1 1 54 54 ASP N N 15 123.167 . . . . . . . 51 D N . 26956 1 101 . 1 1 55 55 GLU H H 1 8.658 . . . . . . . 52 E H . 26956 1 102 . 1 1 55 55 GLU N N 15 122.166 . . . . . . . 52 E N . 26956 1 103 . 1 1 56 56 ALA H H 1 8.406 . . . . . . . 53 A H . 26956 1 104 . 1 1 56 56 ALA N N 15 122.240 . . . . . . . 53 A N . 26956 1 105 . 1 1 57 57 ALA H H 1 8.040 . . . . . . . 54 A H . 26956 1 106 . 1 1 57 57 ALA N N 15 122.056 . . . . . . . 54 A N . 26956 1 107 . 1 1 58 58 PHE H H 1 8.127 . . . . . . . 55 F H . 26956 1 108 . 1 1 58 58 PHE N N 15 118.876 . . . . . . . 55 F N . 26956 1 109 . 1 1 59 59 GLN H H 1 8.355 . . . . . . . 56 Q H . 26956 1 110 . 1 1 59 59 GLN N N 15 119.553 . . . . . . . 56 Q N . 26956 1 111 . 1 1 60 60 LYS H H 1 7.797 . . . . . . . 57 K H . 26956 1 112 . 1 1 60 60 LYS N N 15 120.423 . . . . . . . 57 K N . 26956 1 113 . 1 1 61 61 LEU H H 1 7.656 . . . . . . . 58 L H . 26956 1 114 . 1 1 61 61 LEU N N 15 120.648 . . . . . . . 58 L N . 26956 1 115 . 1 1 62 62 MET H H 1 8.116 . . . . . . . 59 M H . 26956 1 116 . 1 1 62 62 MET N N 15 117.187 . . . . . . . 59 M N . 26956 1 117 . 1 1 63 63 SER H H 1 7.974 . . . . . . . 60 S H . 26956 1 118 . 1 1 63 63 SER N N 15 112.429 . . . . . . . 60 S N . 26956 1 119 . 1 1 64 64 ASN H H 1 7.758 . . . . . . . 61 N H . 26956 1 120 . 1 1 64 64 ASN N N 15 118.528 . . . . . . . 61 N N . 26956 1 121 . 1 1 65 65 LEU H H 1 7.864 . . . . . . . 62 L H . 26956 1 122 . 1 1 65 65 LEU N N 15 118.671 . . . . . . . 62 L N . 26956 1 123 . 1 1 66 66 ASP H H 1 7.879 . . . . . . . 63 D H . 26956 1 124 . 1 1 66 66 ASP N N 15 117.180 . . . . . . . 63 D N . 26956 1 125 . 1 1 67 67 SER H H 1 8.245 . . . . . . . 64 S H . 26956 1 126 . 1 1 67 67 SER N N 15 122.287 . . . . . . . 64 S N . 26956 1 127 . 1 1 68 68 ASN H H 1 8.112 . . . . . . . 65 N H . 26956 1 128 . 1 1 68 68 ASN N N 15 116.601 . . . . . . . 65 N N . 26956 1 129 . 1 1 69 69 ARG H H 1 7.694 . . . . . . . 66 R H . 26956 1 130 . 1 1 69 69 ARG N N 15 115.543 . . . . . . . 66 R N . 26956 1 131 . 1 1 70 70 ASP H H 1 8.619 . . . . . . . 67 D H . 26956 1 132 . 1 1 70 70 ASP N N 15 119.401 . . . . . . . 67 D N . 26956 1 133 . 1 1 71 71 ASN H H 1 10.193 . . . . . . . 68 N H . 26956 1 134 . 1 1 71 71 ASN N N 15 116.477 . . . . . . . 68 N N . 26956 1 135 . 1 1 72 72 GLU H H 1 7.823 . . . . . . . 69 E H . 26956 1 136 . 1 1 72 72 GLU N N 15 116.555 . . . . . . . 69 E N . 26956 1 137 . 1 1 73 73 VAL H H 1 9.991 . . . . . . . 70 V H . 26956 1 138 . 1 1 73 73 VAL N N 15 126.015 . . . . . . . 70 V N . 26956 1 139 . 1 1 74 74 ASP H H 1 9.193 . . . . . . . 71 D H . 26956 1 140 . 1 1 74 74 ASP N N 15 128.821 . . . . . . . 71 D N . 26956 1 141 . 1 1 75 75 PHE H H 1 9.033 . . . . . . . 72 F H . 26956 1 142 . 1 1 75 75 PHE N N 15 118.706 . . . . . . . 72 F N . 26956 1 143 . 1 1 76 76 GLN H H 1 8.270 . . . . . . . 73 Q H . 26956 1 144 . 1 1 76 76 GLN N N 15 120.593 . . . . . . . 73 Q N . 26956 1 145 . 1 1 77 77 GLU H H 1 8.815 . . . . . . . 74 E H . 26956 1 146 . 1 1 77 77 GLU N N 15 120.770 . . . . . . . 74 E N . 26956 1 147 . 1 1 78 78 TYR H H 1 8.737 . . . . . . . 75 Y H . 26956 1 148 . 1 1 78 78 TYR N N 15 123.459 . . . . . . . 75 Y N . 26956 1 149 . 1 1 79 79 CYS H H 1 8.312 . . . . . . . 76 C H . 26956 1 150 . 1 1 79 79 CYS N N 15 120.238 . . . . . . . 76 C N . 26956 1 151 . 1 1 80 80 VAL H H 1 7.885 . . . . . . . 77 V H . 26956 1 152 . 1 1 80 80 VAL N N 15 122.151 . . . . . . . 77 V N . 26956 1 153 . 1 1 81 81 PHE H H 1 7.700 . . . . . . . 78 F H . 26956 1 154 . 1 1 81 81 PHE N N 15 121.554 . . . . . . . 78 F N . 26956 1 155 . 1 1 82 82 LEU H H 1 8.394 . . . . . . . 79 L H . 26956 1 156 . 1 1 82 82 LEU N N 15 117.893 . . . . . . . 79 L N . 26956 1 157 . 1 1 83 83 SER H H 1 8.105 . . . . . . . 80 S H . 26956 1 158 . 1 1 83 83 SER N N 15 115.194 . . . . . . . 80 S N . 26956 1 159 . 1 1 84 84 CYS H H 1 7.768 . . . . . . . 81 C H . 26956 1 160 . 1 1 84 84 CYS N N 15 121.244 . . . . . . . 81 C N . 26956 1 161 . 1 1 85 85 ILE H H 1 7.759 . . . . . . . 82 I H . 26956 1 162 . 1 1 85 85 ILE N N 15 118.526 . . . . . . . 82 I N . 26956 1 163 . 1 1 86 86 ALA H H 1 8.258 . . . . . . . 83 A H . 26956 1 164 . 1 1 86 86 ALA N N 15 122.272 . . . . . . . 83 A N . 26956 1 165 . 1 1 87 87 MET H H 1 7.794 . . . . . . . 84 M H . 26956 1 166 . 1 1 87 87 MET N N 15 120.501 . . . . . . . 84 M N . 26956 1 167 . 1 1 88 88 MET H H 1 7.819 . . . . . . . 85 M H . 26956 1 168 . 1 1 88 88 MET N N 15 119.371 . . . . . . . 85 M N . 26956 1 169 . 1 1 91 91 GLU H H 1 7.956 . . . . . . . 88 E H . 26956 1 170 . 1 1 91 91 GLU N N 15 125.228 . . . . . . . 88 E N . 26956 1 171 . 1 1 92 92 PHE H H 1 6.968 . . . . . . . 89 F H . 26956 1 172 . 1 1 92 92 PHE N N 15 114.942 . . . . . . . 89 F N . 26956 1 173 . 1 1 93 93 PHE H H 1 7.434 . . . . . . . 90 F H . 26956 1 174 . 1 1 93 93 PHE N N 15 121.333 . . . . . . . 90 F N . 26956 1 175 . 1 1 94 94 GLU H H 1 7.297 . . . . . . . 91 E H . 26956 1 176 . 1 1 94 94 GLU N N 15 115.403 . . . . . . . 91 E N . 26956 1 177 . 1 1 95 95 GLY H H 1 7.467 . . . . . . . 92 G H . 26956 1 178 . 1 1 95 95 GLY N N 15 118.236 . . . . . . . 92 G N . 26956 1 stop_ save_