################################### # 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 bmse000908 _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 bmse000908 1 2 '2D [1H,1H]-TOCSY' 1 $sample_1 bmse000908 1 3 '1D 13C' 1 $sample_1 bmse000908 1 4 '1D DEPT90' 1 $sample_1 bmse000908 1 5 '1D DEPT135' 1 $sample_1 bmse000908 1 6 '2D [1H,13C]-HSQC' 1 $sample_1 bmse000908 1 7 '2D [1H,13C]-HMBC' 1 $sample_1 bmse000908 1 8 '2D [1H,1H]-COSY' 1 $sample_1 bmse000908 1 9 '2D [1H,13C]-HMQC' 1 $sample_1 bmse000908 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 bmse000908 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 C18 C 13 51.209 1 C5 bmse000908 1 2 1 1 1 C24 C 13 43.201 1 C6 bmse000908 1 3 1 1 1 C22 C 13 42.807 4 C7 bmse000908 1 4 1 1 1 C22 C 13 40.448 4 C7 bmse000908 1 5 1 1 1 C22 C 13 33.615 4 C7 bmse000908 1 6 1 1 1 C19 C 13 42.807 4 C8 bmse000908 1 7 1 1 1 C19 C 13 40.448 4 C8 bmse000908 1 8 1 1 1 C19 C 13 33.615 4 C8 bmse000908 1 9 1 1 1 C23 C 13 40.684 4 C9 bmse000908 1 10 1 1 1 C23 C 13 36.395 4 C9 bmse000908 1 11 1 1 1 C23 C 13 35.868 4 C9 bmse000908 1 12 1 1 1 C23 C 13 31.826 4 C9 bmse000908 1 13 1 1 1 C23 C 13 31.583 4 C9 bmse000908 1 14 1 1 1 C23 C 13 31.176 4 C9 bmse000908 1 15 1 1 1 C23 C 13 28.899 4 C9 bmse000908 1 16 1 1 1 C23 C 13 24.262 4 C9 bmse000908 1 17 1 1 1 C23 C 13 21.406 4 C9 bmse000908 1 18 1 1 1 C17 C 13 56.880 1 C10 bmse000908 1 19 1 1 1 C15 C 13 42.807 4 C11 bmse000908 1 20 1 1 1 C15 C 13 40.448 4 C11 bmse000908 1 21 1 1 1 C15 C 13 33.615 4 C11 bmse000908 1 22 1 1 1 C11 C 13 40.684 4 C12 bmse000908 1 23 1 1 1 C11 C 13 36.395 4 C12 bmse000908 1 24 1 1 1 C11 C 13 35.868 4 C12 bmse000908 1 25 1 1 1 C11 C 13 31.826 4 C12 bmse000908 1 26 1 1 1 C11 C 13 31.583 4 C12 bmse000908 1 27 1 1 1 C11 C 13 31.176 4 C12 bmse000908 1 28 1 1 1 C11 C 13 28.899 4 C12 bmse000908 1 29 1 1 1 C11 C 13 24.262 4 C12 bmse000908 1 30 1 1 1 C11 C 13 21.406 4 C12 bmse000908 1 31 1 1 1 C9 C 13 40.684 4 C13 bmse000908 1 32 1 1 1 C9 C 13 36.395 4 C13 bmse000908 1 33 1 1 1 C9 C 13 35.868 4 C13 bmse000908 1 34 1 1 1 C9 C 13 31.826 4 C13 bmse000908 1 35 1 1 1 C9 C 13 31.583 4 C13 bmse000908 1 36 1 1 1 C9 C 13 31.176 4 C13 bmse000908 1 37 1 1 1 C9 C 13 28.899 4 C13 bmse000908 1 38 1 1 1 C9 C 13 24.262 4 C13 bmse000908 1 39 1 1 1 C9 C 13 21.406 4 C13 bmse000908 1 40 1 1 1 C20 C 13 72.008 1 C14 bmse000908 1 41 1 1 1 C20 C 13 67.993 1 C14 bmse000908 1 42 1 1 1 C6 C 13 40.684 4 C15 bmse000908 1 43 1 1 1 C6 C 13 36.395 4 C15 bmse000908 1 44 1 1 1 C6 C 13 35.868 4 C15 bmse000908 1 45 1 1 1 C6 C 13 31.826 4 C15 bmse000908 1 46 1 1 1 C6 C 13 31.583 4 C15 bmse000908 1 47 1 1 1 C6 C 13 31.176 4 C15 bmse000908 1 48 1 1 1 C6 C 13 28.899 4 C15 bmse000908 1 49 1 1 1 C6 C 13 24.262 4 C15 bmse000908 1 50 1 1 1 C6 C 13 21.406 4 C15 bmse000908 1 51 1 1 1 C5 C 13 40.684 4 C16 bmse000908 1 52 1 1 1 C5 C 13 36.395 4 C16 bmse000908 1 53 1 1 1 C5 C 13 35.868 4 C16 bmse000908 1 54 1 1 1 C5 C 13 31.826 4 C16 bmse000908 1 55 1 1 1 C5 C 13 31.583 4 C16 bmse000908 1 56 1 1 1 C5 C 13 31.176 4 C16 bmse000908 1 57 1 1 1 C5 C 13 28.899 4 C16 bmse000908 1 58 1 1 1 C5 C 13 24.262 4 C16 bmse000908 1 59 1 1 1 C5 C 13 21.406 4 C16 bmse000908 1 60 1 1 1 C13 C 13 40.684 4 C17 bmse000908 1 61 1 1 1 C13 C 13 36.395 4 C17 bmse000908 1 62 1 1 1 C13 C 13 35.868 4 C17 bmse000908 1 63 1 1 1 C13 C 13 31.826 4 C17 bmse000908 1 64 1 1 1 C13 C 13 31.583 4 C17 bmse000908 1 65 1 1 1 C13 C 13 31.176 4 C17 bmse000908 1 66 1 1 1 C13 C 13 28.899 4 C17 bmse000908 1 67 1 1 1 C13 C 13 24.262 4 C17 bmse000908 1 68 1 1 1 C13 C 13 21.406 4 C17 bmse000908 1 69 1 1 1 C10 C 13 40.684 4 C18 bmse000908 1 70 1 1 1 C10 C 13 36.395 4 C18 bmse000908 1 71 1 1 1 C10 C 13 35.868 4 C18 bmse000908 1 72 1 1 1 C10 C 13 31.826 4 C18 bmse000908 1 73 1 1 1 C10 C 13 31.583 4 C18 bmse000908 1 74 1 1 1 C10 C 13 31.176 4 C18 bmse000908 1 75 1 1 1 C10 C 13 28.899 4 C18 bmse000908 1 76 1 1 1 C10 C 13 24.262 4 C18 bmse000908 1 77 1 1 1 C10 C 13 21.406 4 C18 bmse000908 1 78 1 1 1 C3 C 13 12.183 1 C19 bmse000908 1 79 1 1 1 C14 C 13 36.245 1 C20 bmse000908 1 80 1 1 1 C12 C 13 40.684 4 C21 bmse000908 1 81 1 1 1 C12 C 13 36.395 4 C21 bmse000908 1 82 1 1 1 C12 C 13 35.868 4 C21 bmse000908 1 83 1 1 1 C12 C 13 31.826 4 C21 bmse000908 1 84 1 1 1 C12 C 13 31.583 4 C21 bmse000908 1 85 1 1 1 C12 C 13 31.176 4 C21 bmse000908 1 86 1 1 1 C12 C 13 28.899 4 C21 bmse000908 1 87 1 1 1 C12 C 13 24.262 4 C21 bmse000908 1 88 1 1 1 C12 C 13 21.406 4 C21 bmse000908 1 89 1 1 1 C2 C 13 23.356 1 C22 bmse000908 1 90 1 1 1 C8 C 13 40.684 4 C23 bmse000908 1 91 1 1 1 C8 C 13 36.395 4 C23 bmse000908 1 92 1 1 1 C8 C 13 35.868 4 C23 bmse000908 1 93 1 1 1 C8 C 13 31.826 4 C23 bmse000908 1 94 1 1 1 C8 C 13 31.583 4 C23 bmse000908 1 95 1 1 1 C8 C 13 31.176 4 C23 bmse000908 1 96 1 1 1 C8 C 13 28.899 4 C23 bmse000908 1 97 1 1 1 C8 C 13 24.262 4 C23 bmse000908 1 98 1 1 1 C8 C 13 21.406 4 C23 bmse000908 1 99 1 1 1 C16 C 13 72.008 1 C24 bmse000908 1 100 1 1 1 C16 C 13 67.993 1 C24 bmse000908 1 101 1 1 1 C4 C 13 40.684 4 C25 bmse000908 1 102 1 1 1 C4 C 13 36.395 4 C25 bmse000908 1 103 1 1 1 C4 C 13 35.868 4 C25 bmse000908 1 104 1 1 1 C4 C 13 31.826 4 C25 bmse000908 1 105 1 1 1 C4 C 13 31.583 4 C25 bmse000908 1 106 1 1 1 C4 C 13 31.176 4 C25 bmse000908 1 107 1 1 1 C4 C 13 28.899 4 C25 bmse000908 1 108 1 1 1 C4 C 13 24.262 4 C25 bmse000908 1 109 1 1 1 C4 C 13 21.406 4 C25 bmse000908 1 110 1 1 1 C1 C 13 18.711 1 C26 bmse000908 1 111 1 1 1 C7 C 13 40.684 4 C27 bmse000908 1 112 1 1 1 C7 C 13 36.395 4 C27 bmse000908 1 113 1 1 1 C7 C 13 35.868 4 C27 bmse000908 1 114 1 1 1 C7 C 13 31.826 4 C27 bmse000908 1 115 1 1 1 C7 C 13 31.583 4 C27 bmse000908 1 116 1 1 1 C7 C 13 31.176 4 C27 bmse000908 1 117 1 1 1 C7 C 13 28.899 4 C27 bmse000908 1 118 1 1 1 C7 C 13 24.262 4 C27 bmse000908 1 119 1 1 1 C7 C 13 21.406 4 C27 bmse000908 1 120 1 1 1 C21 C 13 175.129 1 C28 bmse000908 1 121 1 1 1 H52 H 1 2.345 4 H34 bmse000908 1 122 1 1 1 H52 H 1 2.212 4 H34 bmse000908 1 123 1 1 1 H52 H 1 2.056 4 H34 bmse000908 1 124 1 1 1 H52 H 1 1.861 4 H34 bmse000908 1 125 1 1 1 H52 H 1 1.582 4 H34 bmse000908 1 126 1 1 1 H52 H 1 1.491 4 H34 bmse000908 1 127 1 1 1 H52 H 1 1.325 4 H34 bmse000908 1 128 1 1 1 H52 H 1 1.154 4 H34 bmse000908 1 129 1 1 1 H53 H 1 2.345 4 H35 bmse000908 1 130 1 1 1 H53 H 1 2.212 4 H35 bmse000908 1 131 1 1 1 H53 H 1 2.056 4 H35 bmse000908 1 132 1 1 1 H53 H 1 1.861 4 H35 bmse000908 1 133 1 1 1 H53 H 1 1.582 4 H35 bmse000908 1 134 1 1 1 H53 H 1 1.491 4 H35 bmse000908 1 135 1 1 1 H53 H 1 1.325 4 H35 bmse000908 1 136 1 1 1 H53 H 1 1.154 4 H35 bmse000908 1 137 1 1 1 H48 H 1 2.345 4 H36 bmse000908 1 138 1 1 1 H48 H 1 2.212 4 H36 bmse000908 1 139 1 1 1 H48 H 1 2.056 4 H36 bmse000908 1 140 1 1 1 H48 H 1 1.861 4 H36 bmse000908 1 141 1 1 1 H48 H 1 1.582 4 H36 bmse000908 1 142 1 1 1 H48 H 1 1.491 4 H36 bmse000908 1 143 1 1 1 H48 H 1 1.325 4 H36 bmse000908 1 144 1 1 1 H48 H 1 1.154 4 H36 bmse000908 1 145 1 1 1 H49 H 1 2.345 4 H37 bmse000908 1 146 1 1 1 H49 H 1 2.212 4 H37 bmse000908 1 147 1 1 1 H49 H 1 2.056 4 H37 bmse000908 1 148 1 1 1 H49 H 1 1.861 4 H37 bmse000908 1 149 1 1 1 H49 H 1 1.582 4 H37 bmse000908 1 150 1 1 1 H49 H 1 1.491 4 H37 bmse000908 1 151 1 1 1 H49 H 1 1.325 4 H37 bmse000908 1 152 1 1 1 H49 H 1 1.154 4 H37 bmse000908 1 153 1 1 1 H64 H 1 3.814 4 H38 bmse000908 1 154 1 1 1 H64 H 1 3.348 4 H38 bmse000908 1 155 1 1 1 H42 H 1 2.345 4 H39 bmse000908 1 156 1 1 1 H42 H 1 2.212 4 H39 bmse000908 1 157 1 1 1 H42 H 1 2.056 4 H39 bmse000908 1 158 1 1 1 H42 H 1 1.861 4 H39 bmse000908 1 159 1 1 1 H42 H 1 1.582 4 H39 bmse000908 1 160 1 1 1 H42 H 1 1.491 4 H39 bmse000908 1 161 1 1 1 H42 H 1 1.325 4 H39 bmse000908 1 162 1 1 1 H42 H 1 1.154 4 H39 bmse000908 1 163 1 1 1 H43 H 1 2.345 4 H40 bmse000908 1 164 1 1 1 H43 H 1 2.212 4 H40 bmse000908 1 165 1 1 1 H43 H 1 2.056 4 H40 bmse000908 1 166 1 1 1 H43 H 1 1.861 4 H40 bmse000908 1 167 1 1 1 H43 H 1 1.582 4 H40 bmse000908 1 168 1 1 1 H43 H 1 1.491 4 H40 bmse000908 1 169 1 1 1 H43 H 1 1.325 4 H40 bmse000908 1 170 1 1 1 H43 H 1 1.154 4 H40 bmse000908 1 171 1 1 1 H40 H 1 2.345 4 H41 bmse000908 1 172 1 1 1 H40 H 1 2.212 4 H41 bmse000908 1 173 1 1 1 H40 H 1 2.056 4 H41 bmse000908 1 174 1 1 1 H40 H 1 1.861 4 H41 bmse000908 1 175 1 1 1 H40 H 1 1.582 4 H41 bmse000908 1 176 1 1 1 H40 H 1 1.491 4 H41 bmse000908 1 177 1 1 1 H40 H 1 1.325 4 H41 bmse000908 1 178 1 1 1 H40 H 1 1.154 4 H41 bmse000908 1 179 1 1 1 H41 H 1 2.345 4 H42 bmse000908 1 180 1 1 1 H41 H 1 2.212 4 H42 bmse000908 1 181 1 1 1 H41 H 1 2.056 4 H42 bmse000908 1 182 1 1 1 H41 H 1 1.861 4 H42 bmse000908 1 183 1 1 1 H41 H 1 1.582 4 H42 bmse000908 1 184 1 1 1 H41 H 1 1.491 4 H42 bmse000908 1 185 1 1 1 H41 H 1 1.325 4 H42 bmse000908 1 186 1 1 1 H41 H 1 1.154 4 H42 bmse000908 1 187 1 1 1 H56 H 1 2.345 4 H43 bmse000908 1 188 1 1 1 H56 H 1 2.212 4 H43 bmse000908 1 189 1 1 1 H56 H 1 2.056 4 H43 bmse000908 1 190 1 1 1 H56 H 1 1.861 4 H43 bmse000908 1 191 1 1 1 H56 H 1 1.582 4 H43 bmse000908 1 192 1 1 1 H56 H 1 1.491 4 H43 bmse000908 1 193 1 1 1 H56 H 1 1.325 4 H43 bmse000908 1 194 1 1 1 H56 H 1 1.154 4 H43 bmse000908 1 195 1 1 1 H57 H 1 2.345 4 H44 bmse000908 1 196 1 1 1 H57 H 1 2.212 4 H44 bmse000908 1 197 1 1 1 H57 H 1 2.056 4 H44 bmse000908 1 198 1 1 1 H57 H 1 1.861 4 H44 bmse000908 1 199 1 1 1 H57 H 1 1.582 4 H44 bmse000908 1 200 1 1 1 H57 H 1 1.491 4 H44 bmse000908 1 201 1 1 1 H57 H 1 1.325 4 H44 bmse000908 1 202 1 1 1 H57 H 1 1.154 4 H44 bmse000908 1 203 1 1 1 H50 H 1 2.345 4 H45 bmse000908 1 204 1 1 1 H50 H 1 2.212 4 H45 bmse000908 1 205 1 1 1 H50 H 1 2.056 4 H45 bmse000908 1 206 1 1 1 H50 H 1 1.861 4 H45 bmse000908 1 207 1 1 1 H50 H 1 1.582 4 H45 bmse000908 1 208 1 1 1 H50 H 1 1.491 4 H45 bmse000908 1 209 1 1 1 H50 H 1 1.325 4 H45 bmse000908 1 210 1 1 1 H50 H 1 1.154 4 H45 bmse000908 1 211 1 1 1 H51 H 1 2.345 4 H46 bmse000908 1 212 1 1 1 H51 H 1 2.212 4 H46 bmse000908 1 213 1 1 1 H51 H 1 2.056 4 H46 bmse000908 1 214 1 1 1 H51 H 1 1.861 4 H46 bmse000908 1 215 1 1 1 H51 H 1 1.582 4 H46 bmse000908 1 216 1 1 1 H51 H 1 1.491 4 H46 bmse000908 1 217 1 1 1 H51 H 1 1.325 4 H46 bmse000908 1 218 1 1 1 H51 H 1 1.154 4 H46 bmse000908 1 219 1 1 1 H35 H 1 0.699 1 H47 bmse000908 1 220 1 1 1 H37 H 1 0.699 1 H48 bmse000908 1 221 1 1 1 H36 H 1 0.699 ? H49 bmse000908 1 222 1 1 1 H58 H 1 2.345 4 H50 bmse000908 1 223 1 1 1 H58 H 1 2.212 4 H50 bmse000908 1 224 1 1 1 H58 H 1 2.056 4 H50 bmse000908 1 225 1 1 1 H58 H 1 1.861 4 H50 bmse000908 1 226 1 1 1 H58 H 1 1.582 4 H50 bmse000908 1 227 1 1 1 H58 H 1 1.491 4 H50 bmse000908 1 228 1 1 1 H58 H 1 1.325 4 H50 bmse000908 1 229 1 1 1 H58 H 1 1.154 4 H50 bmse000908 1 230 1 1 1 H54 H 1 2.345 4 H51 bmse000908 1 231 1 1 1 H54 H 1 2.212 4 H51 bmse000908 1 232 1 1 1 H54 H 1 2.056 4 H51 bmse000908 1 233 1 1 1 H54 H 1 1.861 4 H51 bmse000908 1 234 1 1 1 H54 H 1 1.582 4 H51 bmse000908 1 235 1 1 1 H54 H 1 1.491 4 H51 bmse000908 1 236 1 1 1 H54 H 1 1.325 4 H51 bmse000908 1 237 1 1 1 H54 H 1 1.154 4 H51 bmse000908 1 238 1 1 1 H32 H 1 0.924 1 H53 bmse000908 1 239 1 1 1 H34 H 1 0.924 1 H54 bmse000908 1 240 1 1 1 H33 H 1 0.924 1 H55 bmse000908 1 241 1 1 1 H46 H 1 2.345 4 H56 bmse000908 1 242 1 1 1 H46 H 1 2.212 4 H56 bmse000908 1 243 1 1 1 H46 H 1 2.056 4 H56 bmse000908 1 244 1 1 1 H46 H 1 1.861 4 H56 bmse000908 1 245 1 1 1 H46 H 1 1.582 4 H56 bmse000908 1 246 1 1 1 H46 H 1 1.491 4 H56 bmse000908 1 247 1 1 1 H46 H 1 1.325 4 H56 bmse000908 1 248 1 1 1 H46 H 1 1.154 4 H56 bmse000908 1 249 1 1 1 H47 H 1 2.345 4 H57 bmse000908 1 250 1 1 1 H47 H 1 2.212 4 H57 bmse000908 1 251 1 1 1 H47 H 1 2.056 4 H57 bmse000908 1 252 1 1 1 H47 H 1 1.861 4 H57 bmse000908 1 253 1 1 1 H47 H 1 1.582 4 H57 bmse000908 1 254 1 1 1 H47 H 1 1.491 4 H57 bmse000908 1 255 1 1 1 H47 H 1 1.325 4 H57 bmse000908 1 256 1 1 1 H47 H 1 1.154 4 H57 bmse000908 1 257 1 1 1 H60 H 1 3.814 4 H58 bmse000908 1 258 1 1 1 H60 H 1 3.348 4 H58 bmse000908 1 259 1 1 1 H38 H 1 2.345 4 H59 bmse000908 1 260 1 1 1 H38 H 1 2.212 4 H59 bmse000908 1 261 1 1 1 H38 H 1 2.056 4 H59 bmse000908 1 262 1 1 1 H38 H 1 1.861 4 H59 bmse000908 1 263 1 1 1 H38 H 1 1.582 4 H59 bmse000908 1 264 1 1 1 H38 H 1 1.491 4 H59 bmse000908 1 265 1 1 1 H38 H 1 1.325 4 H59 bmse000908 1 266 1 1 1 H38 H 1 1.154 4 H59 bmse000908 1 267 1 1 1 H39 H 1 2.345 4 H60 bmse000908 1 268 1 1 1 H39 H 1 2.212 4 H60 bmse000908 1 269 1 1 1 H39 H 1 2.056 4 H60 bmse000908 1 270 1 1 1 H39 H 1 1.861 4 H60 bmse000908 1 271 1 1 1 H39 H 1 1.582 4 H60 bmse000908 1 272 1 1 1 H39 H 1 1.491 4 H60 bmse000908 1 273 1 1 1 H39 H 1 1.325 4 H60 bmse000908 1 274 1 1 1 H39 H 1 1.154 4 H60 bmse000908 1 275 1 1 1 H30 H 1 0.967 1 H62 bmse000908 1 276 1 1 1 H31 H 1 0.967 1 H63 bmse000908 1 277 1 1 1 H29 H 1 0.967 1 H64 bmse000908 1 278 1 1 1 H44 H 1 2.345 4 H66 bmse000908 1 279 1 1 1 H44 H 1 2.212 4 H66 bmse000908 1 280 1 1 1 H44 H 1 2.056 4 H66 bmse000908 1 281 1 1 1 H44 H 1 1.861 4 H66 bmse000908 1 282 1 1 1 H44 H 1 1.582 4 H66 bmse000908 1 283 1 1 1 H44 H 1 1.491 4 H66 bmse000908 1 284 1 1 1 H44 H 1 1.325 4 H66 bmse000908 1 285 1 1 1 H44 H 1 1.154 4 H66 bmse000908 1 286 1 1 1 H45 H 1 2.345 4 H67 bmse000908 1 287 1 1 1 H45 H 1 2.212 4 H67 bmse000908 1 288 1 1 1 H45 H 1 2.056 4 H67 bmse000908 1 289 1 1 1 H45 H 1 1.861 4 H67 bmse000908 1 290 1 1 1 H45 H 1 1.582 4 H67 bmse000908 1 291 1 1 1 H45 H 1 1.491 4 H67 bmse000908 1 292 1 1 1 H45 H 1 1.325 4 H67 bmse000908 1 293 1 1 1 H45 H 1 1.154 4 H67 bmse000908 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 bmse000908 1 1 6 bmse000908 1 1 19 bmse000908 1 2 4 bmse000908 1 2 7 bmse000908 1 2 20 bmse000908 1 3 5 bmse000908 1 3 8 bmse000908 1 3 21 bmse000908 1 4 9 bmse000908 1 4 22 bmse000908 1 4 31 bmse000908 1 4 42 bmse000908 1 4 51 bmse000908 1 4 60 bmse000908 1 4 69 bmse000908 1 4 80 bmse000908 1 4 90 bmse000908 1 4 101 bmse000908 1 4 111 bmse000908 1 5 10 bmse000908 1 5 23 bmse000908 1 5 32 bmse000908 1 5 43 bmse000908 1 5 52 bmse000908 1 5 61 bmse000908 1 5 70 bmse000908 1 5 81 bmse000908 1 5 91 bmse000908 1 5 102 bmse000908 1 5 112 bmse000908 1 6 11 bmse000908 1 6 24 bmse000908 1 6 33 bmse000908 1 6 44 bmse000908 1 6 53 bmse000908 1 6 62 bmse000908 1 6 71 bmse000908 1 6 82 bmse000908 1 6 92 bmse000908 1 6 103 bmse000908 1 6 113 bmse000908 1 7 12 bmse000908 1 7 25 bmse000908 1 7 34 bmse000908 1 7 45 bmse000908 1 7 54 bmse000908 1 7 63 bmse000908 1 7 72 bmse000908 1 7 83 bmse000908 1 7 93 bmse000908 1 7 104 bmse000908 1 7 114 bmse000908 1 8 13 bmse000908 1 8 26 bmse000908 1 8 35 bmse000908 1 8 46 bmse000908 1 8 55 bmse000908 1 8 64 bmse000908 1 8 73 bmse000908 1 8 84 bmse000908 1 8 94 bmse000908 1 8 105 bmse000908 1 8 115 bmse000908 1 9 14 bmse000908 1 9 27 bmse000908 1 9 36 bmse000908 1 9 47 bmse000908 1 9 56 bmse000908 1 9 65 bmse000908 1 9 74 bmse000908 1 9 85 bmse000908 1 9 95 bmse000908 1 9 106 bmse000908 1 9 116 bmse000908 1 10 15 bmse000908 1 10 28 bmse000908 1 10 37 bmse000908 1 10 48 bmse000908 1 10 57 bmse000908 1 10 66 bmse000908 1 10 75 bmse000908 1 10 86 bmse000908 1 10 96 bmse000908 1 10 107 bmse000908 1 10 117 bmse000908 1 11 16 bmse000908 1 11 29 bmse000908 1 11 38 bmse000908 1 11 49 bmse000908 1 11 58 bmse000908 1 11 67 bmse000908 1 11 76 bmse000908 1 11 87 bmse000908 1 11 97 bmse000908 1 11 108 bmse000908 1 11 118 bmse000908 1 12 17 bmse000908 1 12 30 bmse000908 1 12 39 bmse000908 1 12 50 bmse000908 1 12 59 bmse000908 1 12 68 bmse000908 1 12 77 bmse000908 1 12 88 bmse000908 1 12 98 bmse000908 1 12 109 bmse000908 1 12 119 bmse000908 1 13 121 bmse000908 1 13 129 bmse000908 1 13 137 bmse000908 1 13 145 bmse000908 1 13 155 bmse000908 1 13 163 bmse000908 1 13 171 bmse000908 1 13 179 bmse000908 1 13 187 bmse000908 1 13 195 bmse000908 1 13 203 bmse000908 1 13 211 bmse000908 1 13 222 bmse000908 1 13 230 bmse000908 1 13 241 bmse000908 1 13 249 bmse000908 1 13 259 bmse000908 1 13 267 bmse000908 1 13 278 bmse000908 1 13 286 bmse000908 1 14 122 bmse000908 1 14 130 bmse000908 1 14 138 bmse000908 1 14 146 bmse000908 1 14 156 bmse000908 1 14 164 bmse000908 1 14 172 bmse000908 1 14 180 bmse000908 1 14 188 bmse000908 1 14 196 bmse000908 1 14 204 bmse000908 1 14 212 bmse000908 1 14 223 bmse000908 1 14 231 bmse000908 1 14 242 bmse000908 1 14 250 bmse000908 1 14 260 bmse000908 1 14 268 bmse000908 1 14 279 bmse000908 1 14 287 bmse000908 1 15 123 bmse000908 1 15 131 bmse000908 1 15 139 bmse000908 1 15 147 bmse000908 1 15 157 bmse000908 1 15 165 bmse000908 1 15 173 bmse000908 1 15 181 bmse000908 1 15 189 bmse000908 1 15 197 bmse000908 1 15 205 bmse000908 1 15 213 bmse000908 1 15 224 bmse000908 1 15 232 bmse000908 1 15 243 bmse000908 1 15 251 bmse000908 1 15 261 bmse000908 1 15 269 bmse000908 1 15 280 bmse000908 1 15 288 bmse000908 1 16 124 bmse000908 1 16 132 bmse000908 1 16 140 bmse000908 1 16 148 bmse000908 1 16 158 bmse000908 1 16 166 bmse000908 1 16 174 bmse000908 1 16 182 bmse000908 1 16 190 bmse000908 1 16 198 bmse000908 1 16 206 bmse000908 1 16 214 bmse000908 1 16 225 bmse000908 1 16 233 bmse000908 1 16 244 bmse000908 1 16 252 bmse000908 1 16 262 bmse000908 1 16 270 bmse000908 1 16 281 bmse000908 1 16 289 bmse000908 1 17 125 bmse000908 1 17 133 bmse000908 1 17 141 bmse000908 1 17 149 bmse000908 1 17 159 bmse000908 1 17 167 bmse000908 1 17 175 bmse000908 1 17 183 bmse000908 1 17 191 bmse000908 1 17 199 bmse000908 1 17 207 bmse000908 1 17 215 bmse000908 1 17 226 bmse000908 1 17 234 bmse000908 1 17 245 bmse000908 1 17 253 bmse000908 1 17 263 bmse000908 1 17 271 bmse000908 1 17 282 bmse000908 1 17 290 bmse000908 1 18 126 bmse000908 1 18 134 bmse000908 1 18 142 bmse000908 1 18 150 bmse000908 1 18 160 bmse000908 1 18 168 bmse000908 1 18 176 bmse000908 1 18 184 bmse000908 1 18 192 bmse000908 1 18 200 bmse000908 1 18 208 bmse000908 1 18 216 bmse000908 1 18 227 bmse000908 1 18 235 bmse000908 1 18 246 bmse000908 1 18 254 bmse000908 1 18 264 bmse000908 1 18 272 bmse000908 1 18 283 bmse000908 1 18 291 bmse000908 1 19 127 bmse000908 1 19 135 bmse000908 1 19 143 bmse000908 1 19 151 bmse000908 1 19 161 bmse000908 1 19 169 bmse000908 1 19 177 bmse000908 1 19 185 bmse000908 1 19 193 bmse000908 1 19 201 bmse000908 1 19 209 bmse000908 1 19 217 bmse000908 1 19 228 bmse000908 1 19 236 bmse000908 1 19 247 bmse000908 1 19 255 bmse000908 1 19 265 bmse000908 1 19 273 bmse000908 1 19 284 bmse000908 1 19 292 bmse000908 1 20 128 bmse000908 1 20 136 bmse000908 1 20 144 bmse000908 1 20 152 bmse000908 1 20 162 bmse000908 1 20 170 bmse000908 1 20 178 bmse000908 1 20 186 bmse000908 1 20 194 bmse000908 1 20 202 bmse000908 1 20 210 bmse000908 1 20 218 bmse000908 1 20 229 bmse000908 1 20 237 bmse000908 1 20 248 bmse000908 1 20 256 bmse000908 1 20 266 bmse000908 1 20 274 bmse000908 1 20 285 bmse000908 1 20 293 bmse000908 1 21 153 bmse000908 1 21 257 bmse000908 1 22 154 bmse000908 1 22 258 bmse000908 1 23 221 bmse000908 1 stop_ save_