################################### # 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts _Assigned_chem_shift_list.Entry_ID bmse000832 _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_reference 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 bmse000832 1 2 '2D [1H,1H]-TOCSY' 1 $sample_1 bmse000832 1 3 '1D 13C' 1 $sample_1 bmse000832 1 4 '1D DEPT90' 1 $sample_1 bmse000832 1 5 '1D DEPT135' 1 $sample_1 bmse000832 1 6 '2D [1H,13C]-HSQC' 1 $sample_1 bmse000832 1 7 '2D [1H,13C]-HMBC' 1 $sample_1 bmse000832 1 8 '2D [1H,1H]-COSY' 1 $sample_1 bmse000832 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_1 bmse000832 1 stop_ loop_ _Atom_chem_shift.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.Auth_atom_ID _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 1 1 1 C39 C 13 34.269 1 C1 bmse000832 1 2 1 1 1 C40 C 13 34.269 1 C2 bmse000832 1 3 1 1 1 C30 C 13 39.616 4 C3 bmse000832 1 4 1 1 1 C30 C 13 33.107 4 C3 bmse000832 1 5 1 1 1 C29 C 13 39.616 4 C4 bmse000832 1 6 1 1 1 C29 C 13 33.107 4 C4 bmse000832 1 7 1 1 1 C15 C 13 19.254 1 C5 bmse000832 1 8 1 1 1 C16 C 13 19.254 1 C6 bmse000832 1 9 1 1 1 C37 C 13 137.897 4 C7 bmse000832 1 10 1 1 1 C37 C 13 136.477 4 C7 bmse000832 1 11 1 1 1 C37 C 13 136.023 4 C7 bmse000832 1 12 1 1 1 C37 C 13 129.391 4 C7 bmse000832 1 13 1 1 1 C38 C 13 137.897 4 C8 bmse000832 1 14 1 1 1 C38 C 13 136.477 4 C8 bmse000832 1 15 1 1 1 C38 C 13 136.023 4 C8 bmse000832 1 16 1 1 1 C38 C 13 129.391 4 C8 bmse000832 1 17 1 1 1 C23 C 13 39.616 4 C9 bmse000832 1 18 1 1 1 C23 C 13 33.107 4 C9 bmse000832 1 19 1 1 1 C24 C 13 39.616 4 C10 bmse000832 1 20 1 1 1 C24 C 13 33.107 4 C10 bmse000832 1 21 1 1 1 C36 C 13 137.897 4 C11 bmse000832 1 22 1 1 1 C36 C 13 136.477 4 C11 bmse000832 1 23 1 1 1 C36 C 13 136.023 4 C11 bmse000832 1 24 1 1 1 C36 C 13 129.391 4 C11 bmse000832 1 25 1 1 1 C35 C 13 137.897 4 C12 bmse000832 1 26 1 1 1 C35 C 13 136.477 4 C12 bmse000832 1 27 1 1 1 C35 C 13 136.023 4 C12 bmse000832 1 28 1 1 1 C35 C 13 129.391 4 C12 bmse000832 1 29 1 1 1 C9 C 13 28.975 1 C13 bmse000832 1 30 1 1 1 C10 C 13 28.975 1 C14 bmse000832 1 31 1 1 1 C7 C 13 28.975 1 C15 bmse000832 1 32 1 1 1 C8 C 13 28.975 1 C16 bmse000832 1 33 1 1 1 C28 C 13 137.773 4 C17 bmse000832 1 34 1 1 1 C28 C 13 137.231 4 C17 bmse000832 1 35 1 1 1 C28 C 13 132.428 4 C17 bmse000832 1 36 1 1 1 C28 C 13 130.844 4 C17 bmse000832 1 37 1 1 1 C28 C 13 129.982 4 C17 bmse000832 1 38 1 1 1 C28 C 13 126.638 4 C17 bmse000832 1 39 1 1 1 C28 C 13 125.026 4 C17 bmse000832 1 40 1 1 1 C27 C 13 137.773 4 C18 bmse000832 1 41 1 1 1 C27 C 13 137.231 4 C18 bmse000832 1 42 1 1 1 C27 C 13 132.428 4 C18 bmse000832 1 43 1 1 1 C27 C 13 130.844 4 C18 bmse000832 1 44 1 1 1 C27 C 13 129.982 4 C18 bmse000832 1 45 1 1 1 C27 C 13 126.638 4 C18 bmse000832 1 46 1 1 1 C27 C 13 125.026 4 C18 bmse000832 1 47 1 1 1 C6 C 13 21.788 1 C19 bmse000832 1 48 1 1 1 C5 C 13 21.788 1 C20 bmse000832 1 49 1 1 1 C26 C 13 137.773 4 C21 bmse000832 1 50 1 1 1 C26 C 13 137.231 4 C21 bmse000832 1 51 1 1 1 C26 C 13 132.428 4 C21 bmse000832 1 52 1 1 1 C26 C 13 130.844 4 C21 bmse000832 1 53 1 1 1 C26 C 13 129.982 4 C21 bmse000832 1 54 1 1 1 C26 C 13 126.638 4 C21 bmse000832 1 55 1 1 1 C26 C 13 125.026 4 C21 bmse000832 1 56 1 1 1 C25 C 13 137.773 4 C22 bmse000832 1 57 1 1 1 C25 C 13 137.231 4 C22 bmse000832 1 58 1 1 1 C25 C 13 132.428 4 C22 bmse000832 1 59 1 1 1 C25 C 13 130.844 4 C22 bmse000832 1 60 1 1 1 C25 C 13 129.982 4 C22 bmse000832 1 61 1 1 1 C25 C 13 126.638 4 C22 bmse000832 1 62 1 1 1 C25 C 13 125.026 4 C22 bmse000832 1 63 1 1 1 C33 C 13 137.897 4 C23 bmse000832 1 64 1 1 1 C33 C 13 136.477 4 C23 bmse000832 1 65 1 1 1 C33 C 13 136.023 4 C23 bmse000832 1 66 1 1 1 C33 C 13 129.391 4 C23 bmse000832 1 67 1 1 1 C34 C 13 137.897 4 C24 bmse000832 1 68 1 1 1 C34 C 13 136.477 4 C24 bmse000832 1 69 1 1 1 C34 C 13 136.023 4 C24 bmse000832 1 70 1 1 1 C34 C 13 129.391 4 C24 bmse000832 1 71 1 1 1 C4 C 13 12.827 4 C25 bmse000832 1 72 1 1 1 C4 C 13 12.771 4 C25 bmse000832 1 73 1 1 1 C3 C 13 12.827 4 C26 bmse000832 1 74 1 1 1 C3 C 13 12.771 4 C26 bmse000832 1 75 1 1 1 C21 C 13 137.773 4 C27 bmse000832 1 76 1 1 1 C21 C 13 137.231 4 C27 bmse000832 1 77 1 1 1 C21 C 13 132.428 4 C27 bmse000832 1 78 1 1 1 C21 C 13 130.844 4 C27 bmse000832 1 79 1 1 1 C21 C 13 129.982 4 C27 bmse000832 1 80 1 1 1 C21 C 13 126.638 4 C27 bmse000832 1 81 1 1 1 C21 C 13 125.026 4 C27 bmse000832 1 82 1 1 1 C22 C 13 137.773 4 C28 bmse000832 1 83 1 1 1 C22 C 13 137.231 4 C28 bmse000832 1 84 1 1 1 C22 C 13 132.428 4 C28 bmse000832 1 85 1 1 1 C22 C 13 130.844 4 C28 bmse000832 1 86 1 1 1 C22 C 13 129.982 4 C28 bmse000832 1 87 1 1 1 C22 C 13 126.638 4 C28 bmse000832 1 88 1 1 1 C22 C 13 125.026 4 C28 bmse000832 1 89 1 1 1 C14 C 13 137.773 4 C29 bmse000832 1 90 1 1 1 C14 C 13 137.231 4 C29 bmse000832 1 91 1 1 1 C14 C 13 132.428 4 C29 bmse000832 1 92 1 1 1 C14 C 13 130.844 4 C29 bmse000832 1 93 1 1 1 C14 C 13 129.982 4 C29 bmse000832 1 94 1 1 1 C14 C 13 126.638 4 C29 bmse000832 1 95 1 1 1 C14 C 13 125.026 4 C29 bmse000832 1 96 1 1 1 C13 C 13 137.773 4 C30 bmse000832 1 97 1 1 1 C13 C 13 137.231 4 C30 bmse000832 1 98 1 1 1 C13 C 13 132.428 4 C30 bmse000832 1 99 1 1 1 C13 C 13 130.844 4 C30 bmse000832 1 100 1 1 1 C13 C 13 129.982 4 C30 bmse000832 1 101 1 1 1 C13 C 13 126.638 4 C30 bmse000832 1 102 1 1 1 C13 C 13 125.026 4 C30 bmse000832 1 103 1 1 1 C19 C 13 137.773 4 C31 bmse000832 1 104 1 1 1 C19 C 13 137.231 4 C31 bmse000832 1 105 1 1 1 C19 C 13 132.428 4 C31 bmse000832 1 106 1 1 1 C19 C 13 130.844 4 C31 bmse000832 1 107 1 1 1 C19 C 13 129.982 4 C31 bmse000832 1 108 1 1 1 C19 C 13 126.638 4 C31 bmse000832 1 109 1 1 1 C19 C 13 125.026 4 C31 bmse000832 1 110 1 1 1 C20 C 13 137.773 4 C32 bmse000832 1 111 1 1 1 C20 C 13 137.231 4 C32 bmse000832 1 112 1 1 1 C20 C 13 132.428 4 C32 bmse000832 1 113 1 1 1 C20 C 13 130.844 4 C32 bmse000832 1 114 1 1 1 C20 C 13 129.982 4 C32 bmse000832 1 115 1 1 1 C20 C 13 126.638 4 C32 bmse000832 1 116 1 1 1 C20 C 13 125.026 4 C32 bmse000832 1 117 1 1 1 C32 C 13 137.897 4 C33 bmse000832 1 118 1 1 1 C32 C 13 136.477 4 C33 bmse000832 1 119 1 1 1 C32 C 13 136.023 4 C33 bmse000832 1 120 1 1 1 C32 C 13 129.391 4 C33 bmse000832 1 121 1 1 1 C31 C 13 137.897 4 C34 bmse000832 1 122 1 1 1 C31 C 13 136.477 4 C34 bmse000832 1 123 1 1 1 C31 C 13 136.023 4 C34 bmse000832 1 124 1 1 1 C31 C 13 129.391 4 C34 bmse000832 1 125 1 1 1 C1 C 13 12.827 4 C35 bmse000832 1 126 1 1 1 C1 C 13 12.771 4 C35 bmse000832 1 127 1 1 1 C2 C 13 12.827 4 C36 bmse000832 1 128 1 1 1 C2 C 13 12.771 4 C36 bmse000832 1 129 1 1 1 C18 C 13 137.773 4 C37 bmse000832 1 130 1 1 1 C18 C 13 137.231 4 C37 bmse000832 1 131 1 1 1 C18 C 13 132.428 4 C37 bmse000832 1 132 1 1 1 C18 C 13 130.844 4 C37 bmse000832 1 133 1 1 1 C18 C 13 129.982 4 C37 bmse000832 1 134 1 1 1 C18 C 13 126.638 4 C37 bmse000832 1 135 1 1 1 C18 C 13 125.026 4 C37 bmse000832 1 136 1 1 1 C17 C 13 137.773 4 C38 bmse000832 1 137 1 1 1 C17 C 13 137.231 4 C38 bmse000832 1 138 1 1 1 C17 C 13 132.428 4 C38 bmse000832 1 139 1 1 1 C17 C 13 130.844 4 C38 bmse000832 1 140 1 1 1 C17 C 13 129.982 4 C38 bmse000832 1 141 1 1 1 C17 C 13 126.638 4 C38 bmse000832 1 142 1 1 1 C17 C 13 125.026 4 C38 bmse000832 1 143 1 1 1 C12 C 13 137.773 4 C39 bmse000832 1 144 1 1 1 C12 C 13 137.231 4 C39 bmse000832 1 145 1 1 1 C12 C 13 132.428 4 C39 bmse000832 1 146 1 1 1 C12 C 13 130.844 4 C39 bmse000832 1 147 1 1 1 C12 C 13 129.982 4 C39 bmse000832 1 148 1 1 1 C12 C 13 126.638 4 C39 bmse000832 1 149 1 1 1 C12 C 13 125.026 4 C39 bmse000832 1 150 1 1 1 C11 C 13 137.773 4 C40 bmse000832 1 151 1 1 1 C11 C 13 137.231 4 C40 bmse000832 1 152 1 1 1 C11 C 13 132.428 4 C40 bmse000832 1 153 1 1 1 C11 C 13 130.844 4 C40 bmse000832 1 154 1 1 1 C11 C 13 129.982 4 C40 bmse000832 1 155 1 1 1 C11 C 13 126.638 4 C40 bmse000832 1 156 1 1 1 C11 C 13 125.026 4 C40 bmse000832 1 157 1 1 1 H93 H 1 1.466 4 H41 bmse000832 1 158 1 1 1 H93 H 1 2.019 4 H41 bmse000832 1 159 1 1 1 H94 H 1 1.466 4 H42 bmse000832 1 160 1 1 1 H94 H 1 2.019 4 H42 bmse000832 1 161 1 1 1 H95 H 1 1.466 4 H43 bmse000832 1 162 1 1 1 H95 H 1 2.019 4 H43 bmse000832 1 163 1 1 1 H96 H 1 1.466 4 H44 bmse000832 1 164 1 1 1 H96 H 1 2.019 4 H44 bmse000832 1 165 1 1 1 H77 H 1 1.973 ? H45 bmse000832 1 166 1 1 1 H78 H 1 1.973 ? H46 bmse000832 1 167 1 1 1 H75 H 1 1.973 ? H47 bmse000832 1 168 1 1 1 H76 H 1 1.973 ? H48 bmse000832 1 169 1 1 1 H85 H 1 1.466 4 H49 bmse000832 1 170 1 1 1 H85 H 1 2.019 4 H49 bmse000832 1 171 1 1 1 H86 H 1 1.466 4 H50 bmse000832 1 172 1 1 1 H86 H 1 2.019 4 H50 bmse000832 1 173 1 1 1 H87 H 1 1.466 4 H51 bmse000832 1 174 1 1 1 H87 H 1 2.019 4 H51 bmse000832 1 175 1 1 1 H88 H 1 1.466 4 H52 bmse000832 1 176 1 1 1 H88 H 1 2.019 4 H52 bmse000832 1 177 1 1 1 H59 H 1 1.719 1 H53 bmse000832 1 178 1 1 1 H62 H 1 1.719 1 H54 bmse000832 1 179 1 1 1 H64 H 1 1.719 1 H55 bmse000832 1 180 1 1 1 H63 H 1 1.719 1 H56 bmse000832 1 181 1 1 1 H61 H 1 1.719 1 H57 bmse000832 1 182 1 1 1 H60 H 1 1.719 1 H58 bmse000832 1 183 1 1 1 H70 H 1 1.719 1 H59 bmse000832 1 184 1 1 1 H68 H 1 1.719 1 H60 bmse000832 1 185 1 1 1 H69 H 1 1.719 1 H61 bmse000832 1 186 1 1 1 H65 H 1 1.719 1 H62 bmse000832 1 187 1 1 1 H67 H 1 1.719 1 H63 bmse000832 1 188 1 1 1 H66 H 1 1.719 1 H64 bmse000832 1 189 1 1 1 H92 H 1 6.676 4 H65 bmse000832 1 190 1 1 1 H92 H 1 6.642 4 H65 bmse000832 1 191 1 1 1 H92 H 1 6.620 4 H65 bmse000832 1 192 1 1 1 H92 H 1 6.354 4 H65 bmse000832 1 193 1 1 1 H92 H 1 6.249 4 H65 bmse000832 1 194 1 1 1 H92 H 1 6.151 4 H65 bmse000832 1 195 1 1 1 H92 H 1 6.113 4 H65 bmse000832 1 196 1 1 1 H91 H 1 6.676 4 H66 bmse000832 1 197 1 1 1 H91 H 1 6.642 4 H66 bmse000832 1 198 1 1 1 H91 H 1 6.620 4 H66 bmse000832 1 199 1 1 1 H91 H 1 6.354 4 H66 bmse000832 1 200 1 1 1 H91 H 1 6.249 4 H66 bmse000832 1 201 1 1 1 H91 H 1 6.151 4 H66 bmse000832 1 202 1 1 1 H91 H 1 6.113 4 H66 bmse000832 1 203 1 1 1 H53 H 1 1.614 4 H67 bmse000832 1 204 1 1 1 H54 H 1 1.614 4 H68 bmse000832 1 205 1 1 1 H55 H 1 1.614 4 H69 bmse000832 1 206 1 1 1 H57 H 1 1.614 4 H70 bmse000832 1 207 1 1 1 H58 H 1 1.614 4 H71 bmse000832 1 208 1 1 1 H56 H 1 1.614 4 H72 bmse000832 1 209 1 1 1 H89 H 1 6.676 4 H73 bmse000832 1 210 1 1 1 H89 H 1 6.642 4 H73 bmse000832 1 211 1 1 1 H89 H 1 6.620 4 H73 bmse000832 1 212 1 1 1 H89 H 1 6.354 4 H73 bmse000832 1 213 1 1 1 H89 H 1 6.249 4 H73 bmse000832 1 214 1 1 1 H89 H 1 6.151 4 H73 bmse000832 1 215 1 1 1 H89 H 1 6.113 4 H73 bmse000832 1 216 1 1 1 H90 H 1 6.676 4 H74 bmse000832 1 217 1 1 1 H90 H 1 6.642 4 H74 bmse000832 1 218 1 1 1 H90 H 1 6.620 4 H74 bmse000832 1 219 1 1 1 H90 H 1 6.354 4 H74 bmse000832 1 220 1 1 1 H90 H 1 6.249 4 H74 bmse000832 1 221 1 1 1 H90 H 1 6.151 4 H74 bmse000832 1 222 1 1 1 H90 H 1 6.113 4 H74 bmse000832 1 223 1 1 1 H51 H 1 1.031 1 H75 bmse000832 1 224 1 1 1 H52 H 1 1.031 1 H76 bmse000832 1 225 1 1 1 H50 H 1 1.031 1 H77 bmse000832 1 226 1 1 1 H47 H 1 1.031 1 H78 bmse000832 1 227 1 1 1 H48 H 1 1.031 1 H79 bmse000832 1 228 1 1 1 H49 H 1 1.031 1 H80 bmse000832 1 229 1 1 1 H84 H 1 6.676 4 H81 bmse000832 1 230 1 1 1 H84 H 1 6.642 4 H81 bmse000832 1 231 1 1 1 H84 H 1 6.620 4 H81 bmse000832 1 232 1 1 1 H84 H 1 6.354 4 H81 bmse000832 1 233 1 1 1 H84 H 1 6.249 4 H81 bmse000832 1 234 1 1 1 H84 H 1 6.151 4 H81 bmse000832 1 235 1 1 1 H84 H 1 6.113 4 H81 bmse000832 1 236 1 1 1 H83 H 1 6.676 4 H82 bmse000832 1 237 1 1 1 H83 H 1 6.642 4 H82 bmse000832 1 238 1 1 1 H83 H 1 6.620 4 H82 bmse000832 1 239 1 1 1 H83 H 1 6.354 4 H82 bmse000832 1 240 1 1 1 H83 H 1 6.249 4 H82 bmse000832 1 241 1 1 1 H83 H 1 6.151 4 H82 bmse000832 1 242 1 1 1 H83 H 1 6.113 4 H82 bmse000832 1 243 1 1 1 H73 H 1 6.676 4 H83 bmse000832 1 244 1 1 1 H73 H 1 6.642 4 H83 bmse000832 1 245 1 1 1 H73 H 1 6.620 4 H83 bmse000832 1 246 1 1 1 H73 H 1 6.354 4 H83 bmse000832 1 247 1 1 1 H73 H 1 6.249 4 H83 bmse000832 1 248 1 1 1 H73 H 1 6.151 4 H83 bmse000832 1 249 1 1 1 H73 H 1 6.113 4 H83 bmse000832 1 250 1 1 1 H74 H 1 6.676 4 H84 bmse000832 1 251 1 1 1 H74 H 1 6.642 4 H84 bmse000832 1 252 1 1 1 H74 H 1 6.620 4 H84 bmse000832 1 253 1 1 1 H74 H 1 6.354 4 H84 bmse000832 1 254 1 1 1 H74 H 1 6.249 4 H84 bmse000832 1 255 1 1 1 H74 H 1 6.151 4 H84 bmse000832 1 256 1 1 1 H74 H 1 6.113 4 H84 bmse000832 1 257 1 1 1 H81 H 1 6.676 4 H85 bmse000832 1 258 1 1 1 H81 H 1 6.642 4 H85 bmse000832 1 259 1 1 1 H81 H 1 6.620 4 H85 bmse000832 1 260 1 1 1 H81 H 1 6.354 4 H85 bmse000832 1 261 1 1 1 H81 H 1 6.249 4 H85 bmse000832 1 262 1 1 1 H81 H 1 6.151 4 H85 bmse000832 1 263 1 1 1 H81 H 1 6.113 4 H85 bmse000832 1 264 1 1 1 H82 H 1 6.676 4 H86 bmse000832 1 265 1 1 1 H82 H 1 6.642 4 H86 bmse000832 1 266 1 1 1 H82 H 1 6.620 4 H86 bmse000832 1 267 1 1 1 H82 H 1 6.354 4 H86 bmse000832 1 268 1 1 1 H82 H 1 6.249 4 H86 bmse000832 1 269 1 1 1 H82 H 1 6.151 4 H86 bmse000832 1 270 1 1 1 H82 H 1 6.113 4 H86 bmse000832 1 271 1 1 1 H45 H 1 1.031 1 H87 bmse000832 1 272 1 1 1 H46 H 1 1.031 1 H88 bmse000832 1 273 1 1 1 H44 H 1 1.031 1 H89 bmse000832 1 274 1 1 1 H42 H 1 1.031 1 H90 bmse000832 1 275 1 1 1 H43 H 1 1.031 1 H91 bmse000832 1 276 1 1 1 H41 H 1 1.031 1 H92 bmse000832 1 277 1 1 1 H80 H 1 6.676 4 H93 bmse000832 1 278 1 1 1 H80 H 1 6.642 4 H93 bmse000832 1 279 1 1 1 H80 H 1 6.620 4 H93 bmse000832 1 280 1 1 1 H80 H 1 6.354 4 H93 bmse000832 1 281 1 1 1 H80 H 1 6.249 4 H93 bmse000832 1 282 1 1 1 H80 H 1 6.151 4 H93 bmse000832 1 283 1 1 1 H80 H 1 6.113 4 H93 bmse000832 1 284 1 1 1 H79 H 1 6.676 4 H94 bmse000832 1 285 1 1 1 H79 H 1 6.642 4 H94 bmse000832 1 286 1 1 1 H79 H 1 6.620 4 H94 bmse000832 1 287 1 1 1 H79 H 1 6.354 4 H94 bmse000832 1 288 1 1 1 H79 H 1 6.249 4 H94 bmse000832 1 289 1 1 1 H79 H 1 6.151 4 H94 bmse000832 1 290 1 1 1 H79 H 1 6.113 4 H94 bmse000832 1 291 1 1 1 H72 H 1 6.676 4 H95 bmse000832 1 292 1 1 1 H72 H 1 6.642 4 H95 bmse000832 1 293 1 1 1 H72 H 1 6.620 4 H95 bmse000832 1 294 1 1 1 H72 H 1 6.354 4 H95 bmse000832 1 295 1 1 1 H72 H 1 6.249 4 H95 bmse000832 1 296 1 1 1 H72 H 1 6.151 4 H95 bmse000832 1 297 1 1 1 H72 H 1 6.113 4 H95 bmse000832 1 298 1 1 1 H71 H 1 6.676 4 H96 bmse000832 1 299 1 1 1 H71 H 1 6.642 4 H96 bmse000832 1 300 1 1 1 H71 H 1 6.620 4 H96 bmse000832 1 301 1 1 1 H71 H 1 6.354 4 H96 bmse000832 1 302 1 1 1 H71 H 1 6.249 4 H96 bmse000832 1 303 1 1 1 H71 H 1 6.151 4 H96 bmse000832 1 304 1 1 1 H71 H 1 6.113 4 H96 bmse000832 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 3 bmse000832 1 1 5 bmse000832 1 1 17 bmse000832 1 1 19 bmse000832 1 2 4 bmse000832 1 2 6 bmse000832 1 2 18 bmse000832 1 2 20 bmse000832 1 3 9 bmse000832 1 3 13 bmse000832 1 3 21 bmse000832 1 3 25 bmse000832 1 3 63 bmse000832 1 3 67 bmse000832 1 3 117 bmse000832 1 3 121 bmse000832 1 4 10 bmse000832 1 4 14 bmse000832 1 4 22 bmse000832 1 4 26 bmse000832 1 4 64 bmse000832 1 4 68 bmse000832 1 4 118 bmse000832 1 4 122 bmse000832 1 5 11 bmse000832 1 5 15 bmse000832 1 5 23 bmse000832 1 5 27 bmse000832 1 5 65 bmse000832 1 5 69 bmse000832 1 5 119 bmse000832 1 5 123 bmse000832 1 6 12 bmse000832 1 6 16 bmse000832 1 6 24 bmse000832 1 6 28 bmse000832 1 6 66 bmse000832 1 6 70 bmse000832 1 6 120 bmse000832 1 6 124 bmse000832 1 7 33 bmse000832 1 7 40 bmse000832 1 7 49 bmse000832 1 7 56 bmse000832 1 7 75 bmse000832 1 7 82 bmse000832 1 7 89 bmse000832 1 7 96 bmse000832 1 7 103 bmse000832 1 7 110 bmse000832 1 7 129 bmse000832 1 7 136 bmse000832 1 7 143 bmse000832 1 7 150 bmse000832 1 8 34 bmse000832 1 8 41 bmse000832 1 8 50 bmse000832 1 8 57 bmse000832 1 8 76 bmse000832 1 8 83 bmse000832 1 8 90 bmse000832 1 8 97 bmse000832 1 8 104 bmse000832 1 8 111 bmse000832 1 8 130 bmse000832 1 8 137 bmse000832 1 8 144 bmse000832 1 8 151 bmse000832 1 9 35 bmse000832 1 9 42 bmse000832 1 9 51 bmse000832 1 9 58 bmse000832 1 9 77 bmse000832 1 9 84 bmse000832 1 9 91 bmse000832 1 9 98 bmse000832 1 9 105 bmse000832 1 9 112 bmse000832 1 9 131 bmse000832 1 9 138 bmse000832 1 9 145 bmse000832 1 9 152 bmse000832 1 10 36 bmse000832 1 10 43 bmse000832 1 10 52 bmse000832 1 10 59 bmse000832 1 10 78 bmse000832 1 10 85 bmse000832 1 10 92 bmse000832 1 10 99 bmse000832 1 10 106 bmse000832 1 10 113 bmse000832 1 10 132 bmse000832 1 10 139 bmse000832 1 10 146 bmse000832 1 10 153 bmse000832 1 11 37 bmse000832 1 11 44 bmse000832 1 11 53 bmse000832 1 11 60 bmse000832 1 11 79 bmse000832 1 11 86 bmse000832 1 11 93 bmse000832 1 11 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