################################### # 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_chem_shift_set01 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_set01 _Assigned_chem_shift_list.Entry_ID bmse001105 _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 $chem_shift_ref_set01 loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '1D 1H' 1 $sample_1 bmse001105 1 2 '2D 1H-1H TOCSY' 1 $sample_1 bmse001105 1 3 '1D 13C' 1 $sample_1 bmse001105 1 4 '1D DEPT90' 1 $sample_1 bmse001105 1 5 '1D DEPT135' 1 $sample_1 bmse001105 1 6 '2D 1H-13C HSQC' 1 $sample_1 bmse001105 1 8 '2D 1H-13C HMBC' 1 $sample_1 bmse001105 1 9 '2D 1H-1H COSY' 1 $sample_1 bmse001105 1 10 '2D 1H-13C HSQC-TOCSY-ADIA' 1 $sample_1 bmse001105 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_topspin bmse001105 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.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.Ambiguity_code _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 20 1 1 1 BMET001105 C55 C 13 29.2754 4 bmse001105 1 2 21 1 1 1 BMET001105 C56 C 13 29.2754 4 bmse001105 1 3 22 1 1 1 BMET001105 C51 C 13 29.2754 4 bmse001105 1 4 23 1 1 1 BMET001105 C52 C 13 29.2754 4 bmse001105 1 5 24 1 1 1 BMET001105 C19 C 13 29.2754 4 bmse001105 1 6 25 1 1 1 BMET001105 C20 C 13 29.2754 4 bmse001105 1 7 26 1 1 1 BMET001105 C23 C 13 29.2754 4 bmse001105 1 8 27 1 1 1 BMET001105 C24 C 13 29.2754 4 bmse001105 1 9 28 1 1 1 BMET001105 C53 C 13 29.2754 4 bmse001105 1 10 29 1 1 1 BMET001105 C54 C 13 29.2754 4 bmse001105 1 11 30 1 1 1 BMET001105 C49 C 13 29.2754 4 bmse001105 1 12 31 1 1 1 BMET001105 C50 C 13 29.2754 4 bmse001105 1 13 32 1 1 1 BMET001105 C17 C 13 29.7527 4 bmse001105 1 14 33 1 1 1 BMET001105 C18 C 13 29.7527 4 bmse001105 1 15 34 1 1 1 BMET001105 C59 C 13 29.7527 4 bmse001105 1 16 35 1 1 1 BMET001105 C60 C 13 29.7527 4 bmse001105 1 17 36 1 1 1 BMET001105 C21 C 13 29.7527 4 bmse001105 1 18 37 1 1 1 BMET001105 C22 C 13 29.7527 4 bmse001105 1 19 38 1 1 1 BMET001105 C47 C 13 29.7527 4 bmse001105 1 20 39 1 1 1 BMET001105 C48 C 13 29.7527 4 bmse001105 1 21 40 1 1 1 BMET001105 C15 C 13 29.7527 4 bmse001105 1 22 41 1 1 1 BMET001105 C16 C 13 29.7527 4 bmse001105 1 23 42 1 1 1 BMET001105 C27 C 13 29.7527 4 bmse001105 1 24 43 1 1 1 BMET001105 C28 C 13 29.7527 4 bmse001105 1 25 44 1 1 1 BMET001105 C57 C 13 31.8608 4 bmse001105 1 26 45 1 1 1 BMET001105 C58 C 13 31.8608 4 bmse001105 1 27 46 1 1 1 BMET001105 C45 C 13 31.8608 4 bmse001105 1 28 47 1 1 1 BMET001105 C46 C 13 31.8608 4 bmse001105 1 29 48 1 1 1 BMET001105 C13 C 13 31.8608 4 bmse001105 1 30 49 1 1 1 BMET001105 C14 C 13 31.8608 4 bmse001105 1 31 50 1 1 1 BMET001105 C25 C 13 31.8608 4 bmse001105 1 32 51 1 1 1 BMET001105 C26 C 13 31.8608 4 bmse001105 1 33 52 1 1 1 BMET001105 C63 C 13 24.7409 1 bmse001105 1 34 53 1 1 1 BMET001105 C64 C 13 24.7409 1 bmse001105 1 35 54 1 1 1 BMET001105 C43 C 13 27.207 1 bmse001105 1 36 55 1 1 1 BMET001105 C44 C 13 27.207 1 bmse001105 1 37 56 1 1 1 BMET001105 C11 C 13 31.8608 4 bmse001105 1 38 57 1 1 1 BMET001105 C12 C 13 31.8608 4 bmse001105 1 39 58 1 1 1 BMET001105 C31 C 13 27.207 1 bmse001105 1 40 59 1 1 1 BMET001105 C32 C 13 27.207 1 bmse001105 1 41 60 1 1 1 BMET001105 C61 C 13 24.7409 1 bmse001105 1 42 61 1 1 1 BMET001105 C62 C 13 24.7409 1 bmse001105 1 43 62 1 1 1 BMET001105 C9 C 13 31.8608 4 bmse001105 1 44 63 1 1 1 BMET001105 C10 C 13 31.8608 4 bmse001105 1 45 64 1 1 1 BMET001105 C41 C 13 27.207 1 bmse001105 1 46 65 1 1 1 BMET001105 C42 C 13 27.207 1 bmse001105 1 47 66 1 1 1 BMET001105 C29 C 13 27.207 1 bmse001105 1 48 67 1 1 1 BMET001105 C30 C 13 27.207 1 bmse001105 1 49 68 1 1 1 BMET001105 C67 C 13 34.0087 1 bmse001105 1 50 69 1 1 1 BMET001105 C68 C 13 34.0087 1 bmse001105 1 51 70 1 1 1 BMET001105 C39 C 13 129.6477 2 bmse001105 1 52 71 1 1 1 BMET001105 C40 C 13 129.9795 2 bmse001105 1 53 72 1 1 1 BMET001105 C7 C 13 22.7521 1 bmse001105 1 54 73 1 1 1 BMET001105 C8 C 13 22.7521 1 bmse001105 1 55 74 1 1 1 BMET001105 C65 C 13 34.0087 1 bmse001105 1 56 75 1 1 1 BMET001105 C66 C 13 34.0087 1 bmse001105 1 57 76 1 1 1 BMET001105 C35 C 13 129.6477 2 bmse001105 1 58 77 1 1 1 BMET001105 C36 C 13 129.6477 2 bmse001105 1 59 78 1 1 1 BMET001105 C5 C 13 22.7521 1 bmse001105 1 60 79 1 1 1 BMET001105 C6 C 13 22.7521 1 bmse001105 1 61 80 1 1 1 BMET001105 C37 C 13 129.6477 2 bmse001105 1 62 81 1 1 1 BMET001105 C38 C 13 129.6477 2 bmse001105 1 63 82 1 1 1 BMET001105 C33 C 13 129.6477 2 bmse001105 1 64 83 1 1 1 BMET001105 C34 C 13 129.6477 2 bmse001105 1 65 84 1 1 1 BMET001105 C76 C 13 70.5371 1 bmse001105 1 66 85 1 1 1 BMET001105 C77 C 13 70.5371 1 bmse001105 1 67 86 1 1 1 BMET001105 C80 C 13 173.589 1 bmse001105 1 68 87 1 1 1 BMET001105 C81 C 13 173.589 1 bmse001105 1 69 88 1 1 1 BMET001105 C3 C 13 14.1206 1 bmse001105 1 70 89 1 1 1 BMET001105 C4 C 13 14.1206 1 bmse001105 1 71 90 1 1 1 BMET001105 C78 C 13 173.589 1 bmse001105 1 72 91 1 1 1 BMET001105 C79 C 13 173.589 1 bmse001105 1 73 92 1 1 1 BMET001105 C1 C 13 14.1206 1 bmse001105 1 74 93 1 1 1 BMET001105 C2 C 13 14.1206 1 bmse001105 1 75 94 1 1 1 BMET001105 C71 C 13 62.7262 1 bmse001105 1 76 95 1 1 1 BMET001105 C72 C 13 62.7262 1 bmse001105 1 77 96 1 1 1 BMET001105 C73 C 13 63.4922 1 bmse001105 1 78 97 1 1 1 BMET001105 C74 C 13 63.4922 1 bmse001105 1 79 98 1 1 1 BMET001105 C75 C 13 69.426 1 bmse001105 1 80 99 1 1 1 BMET001105 C69 C 13 66.7687 1 bmse001105 1 81 100 1 1 1 BMET001105 C70 C 13 66.7687 1 bmse001105 1 82 101 1 1 1 BMET001105 H249 H 1 1.2624 4 bmse001105 1 83 102 1 1 1 BMET001105 H250 H 1 1.2624 4 bmse001105 1 84 103 1 1 1 BMET001105 H248 H 1 1.2624 4 bmse001105 1 85 104 1 1 1 BMET001105 H205 H 1 1.2624 4 bmse001105 1 86 105 1 1 1 BMET001105 H206 H 1 1.2624 4 bmse001105 1 87 106 1 1 1 BMET001105 H207 H 1 1.2624 4 bmse001105 1 88 107 1 1 1 BMET001105 H208 H 1 1.2624 4 bmse001105 1 89 108 1 1 1 BMET001105 H197 H 1 1.2624 4 bmse001105 1 90 109 1 1 1 BMET001105 H198 H 1 1.2624 4 bmse001105 1 91 110 1 1 1 BMET001105 H199 H 1 1.2624 4 bmse001105 1 92 111 1 1 1 BMET001105 H200 H 1 1.2624 4 bmse001105 1 93 112 1 1 1 BMET001105 H141 H 1 1.2624 4 bmse001105 1 94 113 1 1 1 BMET001105 H142 H 1 1.2624 4 bmse001105 1 95 114 1 1 1 BMET001105 H143 H 1 1.2624 4 bmse001105 1 96 115 1 1 1 BMET001105 H144 H 1 1.2624 4 bmse001105 1 97 116 1 1 1 BMET001105 H149 H 1 1.2624 4 bmse001105 1 98 117 1 1 1 BMET001105 H150 H 1 1.2624 4 bmse001105 1 99 118 1 1 1 BMET001105 H151 H 1 1.2624 4 bmse001105 1 100 119 1 1 1 BMET001105 H152 H 1 1.2624 4 bmse001105 1 101 120 1 1 1 BMET001105 H201 H 1 1.2624 4 bmse001105 1 102 121 1 1 1 BMET001105 H202 H 1 1.2624 4 bmse001105 1 103 122 1 1 1 BMET001105 H203 H 1 1.2624 4 bmse001105 1 104 123 1 1 1 BMET001105 H204 H 1 1.2624 4 bmse001105 1 105 124 1 1 1 BMET001105 H193 H 1 1.2624 4 bmse001105 1 106 125 1 1 1 BMET001105 H194 H 1 1.2789 4 bmse001105 1 107 126 1 1 1 BMET001105 H195 H 1 1.2789 4 bmse001105 1 108 127 1 1 1 BMET001105 H196 H 1 1.2789 4 bmse001105 1 109 128 1 1 1 BMET001105 H137 H 1 1.2789 4 bmse001105 1 110 129 1 1 1 BMET001105 H138 H 1 1.2789 4 bmse001105 1 111 130 1 1 1 BMET001105 H139 H 1 1.2789 4 bmse001105 1 112 131 1 1 1 BMET001105 H140 H 1 1.2789 4 bmse001105 1 113 132 1 1 1 BMET001105 H213 H 1 1.2789 4 bmse001105 1 114 133 1 1 1 BMET001105 H214 H 1 1.2789 4 bmse001105 1 115 134 1 1 1 BMET001105 H215 H 1 1.2789 4 bmse001105 1 116 135 1 1 1 BMET001105 H216 H 1 1.2789 4 bmse001105 1 117 136 1 1 1 BMET001105 H145 H 1 1.2789 4 bmse001105 1 118 137 1 1 1 BMET001105 H146 H 1 1.2789 4 bmse001105 1 119 138 1 1 1 BMET001105 H147 H 1 1.2789 4 bmse001105 1 120 139 1 1 1 BMET001105 H148 H 1 1.2789 4 bmse001105 1 121 140 1 1 1 BMET001105 H189 H 1 1.2789 4 bmse001105 1 122 141 1 1 1 BMET001105 H190 H 1 1.2789 4 bmse001105 1 123 142 1 1 1 BMET001105 H191 H 1 1.2789 4 bmse001105 1 124 143 1 1 1 BMET001105 H192 H 1 1.2789 4 bmse001105 1 125 144 1 1 1 BMET001105 H133 H 1 1.2789 4 bmse001105 1 126 145 1 1 1 BMET001105 H134 H 1 1.2789 4 bmse001105 1 127 146 1 1 1 BMET001105 H135 H 1 1.2789 4 bmse001105 1 128 147 1 1 1 BMET001105 H136 H 1 1.2789 4 bmse001105 1 129 148 1 1 1 BMET001105 H157 H 1 1.2789 4 bmse001105 1 130 149 1 1 1 BMET001105 H158 H 1 1.3174 4 bmse001105 1 131 150 1 1 1 BMET001105 H159 H 1 1.3174 4 bmse001105 1 132 151 1 1 1 BMET001105 H160 H 1 1.3174 4 bmse001105 1 133 152 1 1 1 BMET001105 H209 H 1 1.3174 4 bmse001105 1 134 153 1 1 1 BMET001105 H210 H 1 1.3174 4 bmse001105 1 135 154 1 1 1 BMET001105 H211 H 1 1.3174 4 bmse001105 1 136 155 1 1 1 BMET001105 H212 H 1 1.3174 4 bmse001105 1 137 156 1 1 1 BMET001105 H185 H 1 1.3174 4 bmse001105 1 138 157 1 1 1 BMET001105 H186 H 1 1.3174 4 bmse001105 1 139 158 1 1 1 BMET001105 H187 H 1 1.3174 4 bmse001105 1 140 159 1 1 1 BMET001105 H188 H 1 1.3174 4 bmse001105 1 141 160 1 1 1 BMET001105 H129 H 1 1.3174 4 bmse001105 1 142 161 1 1 1 BMET001105 H130 H 1 1.3174 4 bmse001105 1 143 162 1 1 1 BMET001105 H131 H 1 1.3174 4 bmse001105 1 144 163 1 1 1 BMET001105 H132 H 1 1.3174 4 bmse001105 1 145 164 1 1 1 BMET001105 H153 H 1 1.3174 4 bmse001105 1 146 165 1 1 1 BMET001105 H154 H 1 1.5869 1 bmse001105 1 147 166 1 1 1 BMET001105 H155 H 1 1.5869 1 bmse001105 1 148 167 1 1 1 BMET001105 H156 H 1 1.5869 1 bmse001105 1 149 168 1 1 1 BMET001105 H221 H 1 1.5869 1 bmse001105 1 150 169 1 1 1 BMET001105 H222 H 1 2.005 1 bmse001105 1 151 170 1 1 1 BMET001105 H223 H 1 2.005 1 bmse001105 1 152 171 1 1 1 BMET001105 H224 H 1 2.005 1 bmse001105 1 153 172 1 1 1 BMET001105 H181 H 1 2.005 1 bmse001105 1 154 173 1 1 1 BMET001105 H182 H 1 1.3174 4 bmse001105 1 155 174 1 1 1 BMET001105 H183 H 1 1.3174 4 bmse001105 1 156 175 1 1 1 BMET001105 H184 H 1 1.3174 4 bmse001105 1 157 176 1 1 1 BMET001105 H125 H 1 1.3174 4 bmse001105 1 158 177 1 1 1 BMET001105 H126 H 1 1.5869 1 bmse001105 1 159 178 1 1 1 BMET001105 H127 H 1 1.5869 1 bmse001105 1 160 179 1 1 1 BMET001105 H128 H 1 2.005 1 bmse001105 1 161 180 1 1 1 BMET001105 H165 H 1 2.005 1 bmse001105 1 162 181 1 1 1 BMET001105 H166 H 1 1.5869 1 bmse001105 1 163 182 1 1 1 BMET001105 H167 H 1 1.5869 1 bmse001105 1 164 183 1 1 1 BMET001105 H168 H 1 2.005 1 bmse001105 1 165 184 1 1 1 BMET001105 H217 H 1 2.005 1 bmse001105 1 166 185 1 1 1 BMET001105 H218 H 1 1.3174 4 bmse001105 1 167 186 1 1 1 BMET001105 H219 H 1 1.3174 4 bmse001105 1 168 187 1 1 1 BMET001105 H220 H 1 1.3174 4 bmse001105 1 169 188 1 1 1 BMET001105 H121 H 1 1.3174 4 bmse001105 1 170 189 1 1 1 BMET001105 H122 H 1 2.005 1 bmse001105 1 171 190 1 1 1 BMET001105 H123 H 1 2.005 1 bmse001105 1 172 191 1 1 1 BMET001105 H124 H 1 2.005 1 bmse001105 1 173 192 1 1 1 BMET001105 H177 H 1 2.005 1 bmse001105 1 174 193 1 1 1 BMET001105 H178 H 1 2.005 1 bmse001105 1 175 194 1 1 1 BMET001105 H179 H 1 2.005 1 bmse001105 1 176 195 1 1 1 BMET001105 H180 H 1 2.005 1 bmse001105 1 177 196 1 1 1 BMET001105 H161 H 1 2.005 1 bmse001105 1 178 197 1 1 1 BMET001105 H162 H 1 2.2965 1 bmse001105 1 179 198 1 1 1 BMET001105 H163 H 1 2.2965 1 bmse001105 1 180 199 1 1 1 BMET001105 H164 H 1 2.2965 1 bmse001105 1 181 200 1 1 1 BMET001105 H229 H 1 2.2965 1 bmse001105 1 182 201 1 1 1 BMET001105 H230 H 1 5.3375 1 bmse001105 1 183 202 1 1 1 BMET001105 H231 H 1 5.3375 1 bmse001105 1 184 203 1 1 1 BMET001105 H232 H 1 1.2871 1 bmse001105 1 185 204 1 1 1 BMET001105 H175 H 1 1.2871 1 bmse001105 1 186 205 1 1 1 BMET001105 H176 H 1 1.2871 1 bmse001105 1 187 206 1 1 1 BMET001105 H117 H 1 1.2871 1 bmse001105 1 188 207 1 1 1 BMET001105 H118 H 1 2.2965 1 bmse001105 1 189 208 1 1 1 BMET001105 H119 H 1 2.2965 1 bmse001105 1 190 209 1 1 1 BMET001105 H120 H 1 2.2965 1 bmse001105 1 191 210 1 1 1 BMET001105 H225 H 1 2.2965 1 bmse001105 1 192 211 1 1 1 BMET001105 H226 H 1 5.3375 1 bmse001105 1 193 212 1 1 1 BMET001105 H227 H 1 5.3375 1 bmse001105 1 194 213 1 1 1 BMET001105 H228 H 1 1.2871 1 bmse001105 1 195 214 1 1 1 BMET001105 H171 H 1 1.2871 1 bmse001105 1 196 215 1 1 1 BMET001105 H172 H 1 1.2871 1 bmse001105 1 197 216 1 1 1 BMET001105 H113 H 1 1.2871 1 bmse001105 1 198 217 1 1 1 BMET001105 H114 H 1 5.3375 1 bmse001105 1 199 218 1 1 1 BMET001105 H115 H 1 5.3375 1 bmse001105 1 200 219 1 1 1 BMET001105 H116 H 1 5.3375 1 bmse001105 1 201 220 1 1 1 BMET001105 H173 H 1 5.3375 1 bmse001105 1 202 221 1 1 1 BMET001105 H174 H 1 5.2154 1 bmse001105 1 203 222 1 1 1 BMET001105 H169 H 1 5.2154 1 bmse001105 1 204 223 1 1 1 BMET001105 H170 H 1 0.8828 1 bmse001105 1 205 224 1 1 1 BMET001105 H246 H 1 0.8828 1 bmse001105 1 206 225 1 1 1 BMET001105 H247 H 1 0.8828 1 bmse001105 1 207 226 1 1 1 BMET001105 H108 H 1 0.8828 1 bmse001105 1 208 227 1 1 1 BMET001105 H107 H 1 0.8828 1 bmse001105 1 209 228 1 1 1 BMET001105 H109 H 1 0.8828 1 bmse001105 1 210 229 1 1 1 BMET001105 H111 H 1 0.8828 1 bmse001105 1 211 230 1 1 1 BMET001105 H112 H 1 0.8828 1 bmse001105 1 212 231 1 1 1 BMET001105 H110 H 1 0.8828 1 bmse001105 1 213 232 1 1 1 BMET001105 H101 H 1 0.8828 1 bmse001105 1 214 233 1 1 1 BMET001105 H102 H 1 0.8828 1 bmse001105 1 215 234 1 1 1 BMET001105 H103 H 1 0.8828 1 bmse001105 1 216 235 1 1 1 BMET001105 H106 H 1 4.18 2 bmse001105 1 217 236 1 1 1 BMET001105 H105 H 1 4.3935 2 bmse001105 1 218 237 1 1 1 BMET001105 H104 H 1 4.18 2 bmse001105 1 219 238 1 1 1 BMET001105 H237 H 1 4.18 2 bmse001105 1 220 239 1 1 1 BMET001105 H238 H 1 3.9199 1 bmse001105 1 221 240 1 1 1 BMET001105 H239 H 1 3.9199 1 bmse001105 1 222 241 1 1 1 BMET001105 H240 H 1 3.9199 1 bmse001105 1 223 242 1 1 1 BMET001105 H241 H 1 3.9199 1 bmse001105 1 224 243 1 1 1 BMET001105 H242 H 1 3.92 1 bmse001105 1 225 244 1 1 1 BMET001105 H243 H 1 3.9617 1 bmse001105 1 226 245 1 1 1 BMET001105 H244 H 1 3.9617 1 bmse001105 1 227 246 1 1 1 BMET001105 H245 H 1 3.9617 1 bmse001105 1 228 247 1 1 1 BMET001105 H233 H 1 3.9617 1 bmse001105 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 1 bmse001105 1 1 2 bmse001105 1 1 3 bmse001105 1 1 4 bmse001105 1 1 5 bmse001105 1 1 6 bmse001105 1 1 7 bmse001105 1 1 8 bmse001105 1 1 9 bmse001105 1 1 10 bmse001105 1 1 11 bmse001105 1 1 12 bmse001105 1 1 13 bmse001105 1 1 14 bmse001105 1 1 15 bmse001105 1 1 16 bmse001105 1 1 17 bmse001105 1 1 18 bmse001105 1 1 19 bmse001105 1 1 20 bmse001105 1 1 21 bmse001105 1 1 22 bmse001105 1 1 23 bmse001105 1 1 24 bmse001105 1 1 25 bmse001105 1 1 26 bmse001105 1 1 27 bmse001105 1 1 28 bmse001105 1 1 29 bmse001105 1 1 30 bmse001105 1 1 31 bmse001105 1 1 32 bmse001105 1 1 37 bmse001105 1 1 38 bmse001105 1 1 43 bmse001105 1 1 44 bmse001105 1 2 82 bmse001105 1 2 83 bmse001105 1 2 84 bmse001105 1 2 85 bmse001105 1 2 86 bmse001105 1 2 87 bmse001105 1 2 88 bmse001105 1 2 89 bmse001105 1 2 90 bmse001105 1 2 91 bmse001105 1 2 92 bmse001105 1 2 93 bmse001105 1 2 94 bmse001105 1 2 95 bmse001105 1 2 96 bmse001105 1 2 97 bmse001105 1 2 98 bmse001105 1 2 99 bmse001105 1 2 100 bmse001105 1 2 101 bmse001105 1 2 102 bmse001105 1 2 103 bmse001105 1 2 104 bmse001105 1 2 105 bmse001105 1 2 106 bmse001105 1 2 107 bmse001105 1 2 108 bmse001105 1 2 109 bmse001105 1 2 110 bmse001105 1 2 111 bmse001105 1 2 112 bmse001105 1 2 113 bmse001105 1 2 114 bmse001105 1 2 115 bmse001105 1 2 116 bmse001105 1 2 117 bmse001105 1 2 118 bmse001105 1 2 119 bmse001105 1 2 120 bmse001105 1 2 121 bmse001105 1 2 122 bmse001105 1 2 123 bmse001105 1 2 124 bmse001105 1 2 125 bmse001105 1 2 126 bmse001105 1 2 127 bmse001105 1 2 128 bmse001105 1 2 129 bmse001105 1 2 130 bmse001105 1 2 131 bmse001105 1 2 132 bmse001105 1 2 133 bmse001105 1 2 134 bmse001105 1 2 135 bmse001105 1 2 136 bmse001105 1 2 137 bmse001105 1 2 138 bmse001105 1 2 139 bmse001105 1 2 140 bmse001105 1 2 141 bmse001105 1 2 142 bmse001105 1 2 143 bmse001105 1 2 144 bmse001105 1 2 145 bmse001105 1 2 154 bmse001105 1 2 155 bmse001105 1 2 156 bmse001105 1 2 157 bmse001105 1 2 166 bmse001105 1 2 167 bmse001105 1 2 168 bmse001105 1 2 169 bmse001105 1 stop_ save_