################################### # 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 bmse000600 _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 bmse000600 1 2 '2D [1H,1H]-TOCSY' 1 $sample_1 bmse000600 1 3 '1D 13C' 1 $sample_1 bmse000600 1 4 '1D DEPT90' 1 $sample_1 bmse000600 1 5 '1D DEPT135' 1 $sample_1 bmse000600 1 6 '2D [1H,13C]-HSQC' 1 $sample_1 bmse000600 1 7 '2D [1H,13C]-HMBC' 1 $sample_1 bmse000600 1 8 '2D [1H,1H]-COSY' 1 $sample_1 bmse000600 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_3 bmse000600 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 C29 C 13 77.18 1 C3 bmse000600 1 2 1 1 1 C18 C 13 42.518 4 C4 bmse000600 1 3 1 1 1 C18 C 13 42.445 4 C4 bmse000600 1 4 1 1 1 C18 C 13 42.027 4 C4 bmse000600 1 5 1 1 1 C18 C 13 40.218 4 C4 bmse000600 1 6 1 1 1 C18 C 13 40.104 4 C4 bmse000600 1 7 1 1 1 C18 C 13 40.048 4 C4 bmse000600 1 8 1 1 1 C18 C 13 39.945 4 C4 bmse000600 1 9 1 1 1 C18 C 13 34.188 4 C4 bmse000600 1 10 1 1 1 C18 C 13 34.137 4 C4 bmse000600 1 11 1 1 1 C18 C 13 27.472 4 C4 bmse000600 1 12 1 1 1 C18 C 13 27.104 4 C4 bmse000600 1 13 1 1 1 C18 C 13 23.717 4 C4 bmse000600 1 14 1 1 1 C18 C 13 23.417 4 C4 bmse000600 1 15 1 1 1 C19 C 13 42.518 4 C5 bmse000600 1 16 1 1 1 C19 C 13 42.445 4 C5 bmse000600 1 17 1 1 1 C19 C 13 42.027 4 C5 bmse000600 1 18 1 1 1 C19 C 13 40.218 4 C5 bmse000600 1 19 1 1 1 C19 C 13 40.104 4 C5 bmse000600 1 20 1 1 1 C19 C 13 40.048 4 C5 bmse000600 1 21 1 1 1 C19 C 13 39.945 4 C5 bmse000600 1 22 1 1 1 C19 C 13 34.188 4 C5 bmse000600 1 23 1 1 1 C19 C 13 34.137 4 C5 bmse000600 1 24 1 1 1 C19 C 13 27.472 4 C5 bmse000600 1 25 1 1 1 C19 C 13 27.104 4 C5 bmse000600 1 26 1 1 1 C19 C 13 23.717 4 C5 bmse000600 1 27 1 1 1 C19 C 13 23.417 4 C5 bmse000600 1 28 1 1 1 C11 C 13 42.518 4 C6 bmse000600 1 29 1 1 1 C11 C 13 42.445 4 C6 bmse000600 1 30 1 1 1 C11 C 13 42.027 4 C6 bmse000600 1 31 1 1 1 C11 C 13 40.218 4 C6 bmse000600 1 32 1 1 1 C11 C 13 40.104 4 C6 bmse000600 1 33 1 1 1 C11 C 13 40.048 4 C6 bmse000600 1 34 1 1 1 C11 C 13 39.945 4 C6 bmse000600 1 35 1 1 1 C11 C 13 34.188 4 C6 bmse000600 1 36 1 1 1 C11 C 13 34.137 4 C6 bmse000600 1 37 1 1 1 C11 C 13 27.472 4 C6 bmse000600 1 38 1 1 1 C11 C 13 27.104 4 C6 bmse000600 1 39 1 1 1 C11 C 13 23.717 4 C6 bmse000600 1 40 1 1 1 C11 C 13 23.417 4 C6 bmse000600 1 41 1 1 1 C22 C 13 35.441 4 C7 bmse000600 1 42 1 1 1 C22 C 13 35.357 4 C7 bmse000600 1 43 1 1 1 C16 C 13 42.518 4 C8 bmse000600 1 44 1 1 1 C16 C 13 42.445 4 C8 bmse000600 1 45 1 1 1 C16 C 13 42.027 4 C8 bmse000600 1 46 1 1 1 C16 C 13 40.218 4 C8 bmse000600 1 47 1 1 1 C16 C 13 40.104 4 C8 bmse000600 1 48 1 1 1 C16 C 13 40.048 4 C8 bmse000600 1 49 1 1 1 C16 C 13 39.945 4 C8 bmse000600 1 50 1 1 1 C16 C 13 34.188 4 C8 bmse000600 1 51 1 1 1 C16 C 13 34.137 4 C8 bmse000600 1 52 1 1 1 C16 C 13 27.472 4 C8 bmse000600 1 53 1 1 1 C16 C 13 27.104 4 C8 bmse000600 1 54 1 1 1 C16 C 13 23.717 4 C8 bmse000600 1 55 1 1 1 C16 C 13 23.417 4 C8 bmse000600 1 56 1 1 1 C17 C 13 42.518 4 C9 bmse000600 1 57 1 1 1 C17 C 13 42.445 4 C9 bmse000600 1 58 1 1 1 C17 C 13 42.027 4 C9 bmse000600 1 59 1 1 1 C17 C 13 40.218 4 C9 bmse000600 1 60 1 1 1 C17 C 13 40.104 4 C9 bmse000600 1 61 1 1 1 C17 C 13 40.048 4 C9 bmse000600 1 62 1 1 1 C17 C 13 39.945 4 C9 bmse000600 1 63 1 1 1 C17 C 13 34.188 4 C9 bmse000600 1 64 1 1 1 C17 C 13 34.137 4 C9 bmse000600 1 65 1 1 1 C17 C 13 27.472 4 C9 bmse000600 1 66 1 1 1 C17 C 13 27.104 4 C9 bmse000600 1 67 1 1 1 C17 C 13 23.717 4 C9 bmse000600 1 68 1 1 1 C17 C 13 23.417 4 C9 bmse000600 1 69 1 1 1 C15 C 13 42.518 4 C10 bmse000600 1 70 1 1 1 C15 C 13 42.445 4 C10 bmse000600 1 71 1 1 1 C15 C 13 42.027 4 C10 bmse000600 1 72 1 1 1 C15 C 13 40.218 4 C10 bmse000600 1 73 1 1 1 C15 C 13 40.104 4 C10 bmse000600 1 74 1 1 1 C15 C 13 40.048 4 C10 bmse000600 1 75 1 1 1 C15 C 13 39.945 4 C10 bmse000600 1 76 1 1 1 C15 C 13 34.188 4 C10 bmse000600 1 77 1 1 1 C15 C 13 34.137 4 C10 bmse000600 1 78 1 1 1 C15 C 13 27.472 4 C10 bmse000600 1 79 1 1 1 C15 C 13 27.104 4 C10 bmse000600 1 80 1 1 1 C15 C 13 23.717 4 C10 bmse000600 1 81 1 1 1 C15 C 13 23.417 4 C10 bmse000600 1 82 1 1 1 C8 C 13 26.448 4 C11 bmse000600 1 83 1 1 1 C8 C 13 25.386 4 C11 bmse000600 1 84 1 1 1 C8 C 13 25.292 4 C11 bmse000600 1 85 1 1 1 C8 C 13 22.403 4 C11 bmse000600 1 86 1 1 1 C8 C 13 22.342 4 C11 bmse000600 1 87 1 1 1 C26 C 13 125.267 4 C12 bmse000600 1 88 1 1 1 C26 C 13 123.651 4 C12 bmse000600 1 89 1 1 1 C26 C 13 121.113 4 C12 bmse000600 1 90 1 1 1 C26 C 13 120.007 4 C12 bmse000600 1 91 1 1 1 C10 C 13 42.518 4 C13 bmse000600 1 92 1 1 1 C10 C 13 42.445 4 C13 bmse000600 1 93 1 1 1 C10 C 13 42.027 4 C13 bmse000600 1 94 1 1 1 C10 C 13 40.218 4 C13 bmse000600 1 95 1 1 1 C10 C 13 40.104 4 C13 bmse000600 1 96 1 1 1 C10 C 13 40.048 4 C13 bmse000600 1 97 1 1 1 C10 C 13 39.945 4 C13 bmse000600 1 98 1 1 1 C10 C 13 34.188 4 C13 bmse000600 1 99 1 1 1 C10 C 13 34.137 4 C13 bmse000600 1 100 1 1 1 C10 C 13 27.472 4 C13 bmse000600 1 101 1 1 1 C10 C 13 27.104 4 C13 bmse000600 1 102 1 1 1 C10 C 13 23.717 4 C13 bmse000600 1 103 1 1 1 C10 C 13 23.417 4 C13 bmse000600 1 104 1 1 1 C28 C 13 148.192 4 C14 bmse000600 1 105 1 1 1 C28 C 13 147.173 4 C14 bmse000600 1 106 1 1 1 C14 C 13 42.518 4 C15 bmse000600 1 107 1 1 1 C14 C 13 42.445 4 C15 bmse000600 1 108 1 1 1 C14 C 13 42.027 4 C15 bmse000600 1 109 1 1 1 C14 C 13 40.218 4 C15 bmse000600 1 110 1 1 1 C14 C 13 40.104 4 C15 bmse000600 1 111 1 1 1 C14 C 13 40.048 4 C15 bmse000600 1 112 1 1 1 C14 C 13 39.945 4 C15 bmse000600 1 113 1 1 1 C14 C 13 34.188 4 C15 bmse000600 1 114 1 1 1 C14 C 13 34.137 4 C15 bmse000600 1 115 1 1 1 C14 C 13 27.472 4 C15 bmse000600 1 116 1 1 1 C14 C 13 27.104 4 C15 bmse000600 1 117 1 1 1 C14 C 13 23.717 4 C15 bmse000600 1 118 1 1 1 C14 C 13 23.417 4 C15 bmse000600 1 119 1 1 1 C21 C 13 35.441 4 C16 bmse000600 1 120 1 1 1 C21 C 13 35.357 4 C16 bmse000600 1 121 1 1 1 C4 C 13 26.448 4 C17 bmse000600 1 122 1 1 1 C4 C 13 25.386 4 C17 bmse000600 1 123 1 1 1 C4 C 13 25.292 4 C17 bmse000600 1 124 1 1 1 C4 C 13 22.403 4 C17 bmse000600 1 125 1 1 1 C4 C 13 22.342 4 C17 bmse000600 1 126 1 1 1 C13 C 13 42.518 4 C18 bmse000600 1 127 1 1 1 C13 C 13 42.445 4 C18 bmse000600 1 128 1 1 1 C13 C 13 42.027 4 C18 bmse000600 1 129 1 1 1 C13 C 13 40.218 4 C18 bmse000600 1 130 1 1 1 C13 C 13 40.104 4 C18 bmse000600 1 131 1 1 1 C13 C 13 40.048 4 C18 bmse000600 1 132 1 1 1 C13 C 13 39.945 4 C18 bmse000600 1 133 1 1 1 C13 C 13 34.188 4 C18 bmse000600 1 134 1 1 1 C13 C 13 34.137 4 C18 bmse000600 1 135 1 1 1 C13 C 13 27.472 4 C18 bmse000600 1 136 1 1 1 C13 C 13 27.104 4 C18 bmse000600 1 137 1 1 1 C13 C 13 23.717 4 C18 bmse000600 1 138 1 1 1 C13 C 13 23.417 4 C18 bmse000600 1 139 1 1 1 C25 C 13 125.267 4 C19 bmse000600 1 140 1 1 1 C25 C 13 123.651 4 C19 bmse000600 1 141 1 1 1 C25 C 13 121.113 4 C19 bmse000600 1 142 1 1 1 C25 C 13 120.007 4 C19 bmse000600 1 143 1 1 1 C24 C 13 125.267 4 C20 bmse000600 1 144 1 1 1 C24 C 13 123.651 4 C20 bmse000600 1 145 1 1 1 C24 C 13 121.113 4 C20 bmse000600 1 146 1 1 1 C24 C 13 120.007 4 C20 bmse000600 1 147 1 1 1 C9 C 13 42.518 4 C21 bmse000600 1 148 1 1 1 C9 C 13 42.445 4 C21 bmse000600 1 149 1 1 1 C9 C 13 42.027 4 C21 bmse000600 1 150 1 1 1 C9 C 13 40.218 4 C21 bmse000600 1 151 1 1 1 C9 C 13 40.104 4 C21 bmse000600 1 152 1 1 1 C9 C 13 40.048 4 C21 bmse000600 1 153 1 1 1 C9 C 13 39.945 4 C21 bmse000600 1 154 1 1 1 C9 C 13 34.188 4 C21 bmse000600 1 155 1 1 1 C9 C 13 34.137 4 C21 bmse000600 1 156 1 1 1 C9 C 13 27.472 4 C21 bmse000600 1 157 1 1 1 C9 C 13 27.104 4 C21 bmse000600 1 158 1 1 1 C9 C 13 23.717 4 C21 bmse000600 1 159 1 1 1 C9 C 13 23.417 4 C21 bmse000600 1 160 1 1 1 C23 C 13 125.267 4 C22 bmse000600 1 161 1 1 1 C23 C 13 123.651 4 C22 bmse000600 1 162 1 1 1 C23 C 13 121.113 4 C22 bmse000600 1 163 1 1 1 C23 C 13 120.007 4 C22 bmse000600 1 164 1 1 1 C3 C 13 26.448 4 C23 bmse000600 1 165 1 1 1 C3 C 13 25.386 4 C23 bmse000600 1 166 1 1 1 C3 C 13 25.292 4 C23 bmse000600 1 167 1 1 1 C3 C 13 22.403 4 C23 bmse000600 1 168 1 1 1 C3 C 13 22.342 4 C23 bmse000600 1 169 1 1 1 C27 C 13 148.192 4 C24 bmse000600 1 170 1 1 1 C27 C 13 147.173 4 C24 bmse000600 1 171 1 1 1 C27 C 13 125.267 4 C24 bmse000600 1 172 1 1 1 C27 C 13 123.651 4 C24 bmse000600 1 173 1 1 1 C27 C 13 121.113 4 C24 bmse000600 1 174 1 1 1 C27 C 13 120.007 4 C24 bmse000600 1 175 1 1 1 C12 C 13 42.518 4 C25 bmse000600 1 176 1 1 1 C12 C 13 42.445 4 C25 bmse000600 1 177 1 1 1 C12 C 13 42.027 4 C25 bmse000600 1 178 1 1 1 C12 C 13 40.218 4 C25 bmse000600 1 179 1 1 1 C12 C 13 40.104 4 C25 bmse000600 1 180 1 1 1 C12 C 13 40.048 4 C25 bmse000600 1 181 1 1 1 C12 C 13 39.945 4 C25 bmse000600 1 182 1 1 1 C12 C 13 34.188 4 C25 bmse000600 1 183 1 1 1 C12 C 13 34.137 4 C25 bmse000600 1 184 1 1 1 C12 C 13 27.472 4 C25 bmse000600 1 185 1 1 1 C12 C 13 27.104 4 C25 bmse000600 1 186 1 1 1 C12 C 13 23.717 4 C25 bmse000600 1 187 1 1 1 C12 C 13 23.417 4 C25 bmse000600 1 188 1 1 1 C20 C 13 30.64 1 C26 bmse000600 1 189 1 1 1 C7 C 13 14.871 4 C27 bmse000600 1 190 1 1 1 C7 C 13 14.437 4 C27 bmse000600 1 191 1 1 1 C7 C 13 13.939 4 C27 bmse000600 1 192 1 1 1 C6 C 13 14.871 4 C28 bmse000600 1 193 1 1 1 C6 C 13 14.437 4 C28 bmse000600 1 194 1 1 1 C6 C 13 13.939 4 C28 bmse000600 1 195 1 1 1 C5 C 13 14.871 4 C29 bmse000600 1 196 1 1 1 C5 C 13 14.437 4 C29 bmse000600 1 197 1 1 1 C5 C 13 13.939 4 C29 bmse000600 1 198 1 1 1 C1 C 13 26.448 4 C30 bmse000600 1 199 1 1 1 C1 C 13 25.386 4 C30 bmse000600 1 200 1 1 1 C1 C 13 25.292 4 C30 bmse000600 1 201 1 1 1 C1 C 13 22.403 4 C30 bmse000600 1 202 1 1 1 C1 C 13 22.342 4 C30 bmse000600 1 203 1 1 1 C2 C 13 26.448 4 C31 bmse000600 1 204 1 1 1 C2 C 13 25.386 4 C31 bmse000600 1 205 1 1 1 C2 C 13 25.292 4 C31 bmse000600 1 206 1 1 1 C2 C 13 22.403 4 C31 bmse000600 1 207 1 1 1 C2 C 13 22.342 4 C31 bmse000600 1 208 1 1 1 H74 H 1 2.600 4 H32 bmse000600 1 209 1 1 1 H74 H 1 1.781 4 H32 bmse000600 1 210 1 1 1 H74 H 1 1.264 4 H32 bmse000600 1 211 1 1 1 H74 H 1 1.225 4 H32 bmse000600 1 212 1 1 1 H74 H 1 1.100 4 H32 bmse000600 1 213 1 1 1 H74 H 1 1.373 4 H32 bmse000600 1 214 1 1 1 H74 H 1 1.535 4 H32 bmse000600 1 215 1 1 1 H75 H 1 2.600 4 H33 bmse000600 1 216 1 1 1 H75 H 1 1.781 4 H33 bmse000600 1 217 1 1 1 H75 H 1 1.264 4 H33 bmse000600 1 218 1 1 1 H75 H 1 1.225 4 H33 bmse000600 1 219 1 1 1 H75 H 1 1.100 4 H33 bmse000600 1 220 1 1 1 H75 H 1 1.373 4 H33 bmse000600 1 221 1 1 1 H75 H 1 1.535 4 H33 bmse000600 1 222 1 1 1 H76 H 1 2.600 4 H34 bmse000600 1 223 1 1 1 H76 H 1 1.781 4 H34 bmse000600 1 224 1 1 1 H76 H 1 1.264 4 H34 bmse000600 1 225 1 1 1 H76 H 1 1.225 4 H34 bmse000600 1 226 1 1 1 H76 H 1 1.100 4 H34 bmse000600 1 227 1 1 1 H76 H 1 1.373 4 H34 bmse000600 1 228 1 1 1 H76 H 1 1.535 4 H34 bmse000600 1 229 1 1 1 H77 H 1 2.600 4 H35 bmse000600 1 230 1 1 1 H77 H 1 1.781 4 H35 bmse000600 1 231 1 1 1 H77 H 1 1.264 4 H35 bmse000600 1 232 1 1 1 H77 H 1 1.225 4 H35 bmse000600 1 233 1 1 1 H77 H 1 1.100 4 H35 bmse000600 1 234 1 1 1 H77 H 1 1.373 4 H35 bmse000600 1 235 1 1 1 H77 H 1 1.535 4 H35 bmse000600 1 236 1 1 1 H60 H 1 2.600 4 H36 bmse000600 1 237 1 1 1 H60 H 1 1.781 4 H36 bmse000600 1 238 1 1 1 H60 H 1 1.264 4 H36 bmse000600 1 239 1 1 1 H60 H 1 1.225 4 H36 bmse000600 1 240 1 1 1 H60 H 1 1.100 4 H36 bmse000600 1 241 1 1 1 H60 H 1 1.373 4 H36 bmse000600 1 242 1 1 1 H60 H 1 1.535 4 H36 bmse000600 1 243 1 1 1 H61 H 1 2.600 4 H37 bmse000600 1 244 1 1 1 H61 H 1 1.781 4 H37 bmse000600 1 245 1 1 1 H61 H 1 1.264 4 H37 bmse000600 1 246 1 1 1 H61 H 1 1.225 4 H37 bmse000600 1 247 1 1 1 H61 H 1 1.100 4 H37 bmse000600 1 248 1 1 1 H61 H 1 1.373 4 H37 bmse000600 1 249 1 1 1 H61 H 1 1.535 4 H37 bmse000600 1 250 1 1 1 H70 H 1 2.600 4 H39 bmse000600 1 251 1 1 1 H70 H 1 1.781 4 H39 bmse000600 1 252 1 1 1 H70 H 1 1.264 4 H39 bmse000600 1 253 1 1 1 H70 H 1 1.225 4 H39 bmse000600 1 254 1 1 1 H70 H 1 1.100 4 H39 bmse000600 1 255 1 1 1 H70 H 1 1.373 4 H39 bmse000600 1 256 1 1 1 H70 H 1 1.535 4 H39 bmse000600 1 257 1 1 1 H71 H 1 2.600 4 H40 bmse000600 1 258 1 1 1 H71 H 1 1.781 4 H40 bmse000600 1 259 1 1 1 H71 H 1 1.264 4 H40 bmse000600 1 260 1 1 1 H71 H 1 1.225 4 H40 bmse000600 1 261 1 1 1 H71 H 1 1.100 4 H40 bmse000600 1 262 1 1 1 H71 H 1 1.373 4 H40 bmse000600 1 263 1 1 1 H71 H 1 1.535 4 H40 bmse000600 1 264 1 1 1 H72 H 1 2.600 4 H41 bmse000600 1 265 1 1 1 H72 H 1 1.781 4 H41 bmse000600 1 266 1 1 1 H72 H 1 1.264 4 H41 bmse000600 1 267 1 1 1 H72 H 1 1.225 4 H41 bmse000600 1 268 1 1 1 H72 H 1 1.100 4 H41 bmse000600 1 269 1 1 1 H72 H 1 1.373 4 H41 bmse000600 1 270 1 1 1 H72 H 1 1.535 4 H41 bmse000600 1 271 1 1 1 H73 H 1 2.600 4 H42 bmse000600 1 272 1 1 1 H73 H 1 1.781 4 H42 bmse000600 1 273 1 1 1 H73 H 1 1.264 4 H42 bmse000600 1 274 1 1 1 H73 H 1 1.225 4 H42 bmse000600 1 275 1 1 1 H73 H 1 1.100 4 H42 bmse000600 1 276 1 1 1 H73 H 1 1.373 4 H42 bmse000600 1 277 1 1 1 H73 H 1 1.535 4 H42 bmse000600 1 278 1 1 1 H68 H 1 2.600 4 H43 bmse000600 1 279 1 1 1 H68 H 1 1.781 4 H43 bmse000600 1 280 1 1 1 H68 H 1 1.264 4 H43 bmse000600 1 281 1 1 1 H68 H 1 1.225 4 H43 bmse000600 1 282 1 1 1 H68 H 1 1.100 4 H43 bmse000600 1 283 1 1 1 H68 H 1 1.373 4 H43 bmse000600 1 284 1 1 1 H68 H 1 1.535 4 H43 bmse000600 1 285 1 1 1 H69 H 1 2.600 4 H44 bmse000600 1 286 1 1 1 H69 H 1 1.781 4 H44 bmse000600 1 287 1 1 1 H69 H 1 1.264 4 H44 bmse000600 1 288 1 1 1 H69 H 1 1.225 4 H44 bmse000600 1 289 1 1 1 H69 H 1 1.100 4 H44 bmse000600 1 290 1 1 1 H69 H 1 1.373 4 H44 bmse000600 1 291 1 1 1 H69 H 1 1.535 4 H44 bmse000600 1 292 1 1 1 H53 H 1 2.600 4 H45 bmse000600 1 293 1 1 1 H53 H 1 1.781 4 H45 bmse000600 1 294 1 1 1 H53 H 1 1.264 4 H45 bmse000600 1 295 1 1 1 H53 H 1 1.225 4 H45 bmse000600 1 296 1 1 1 H53 H 1 1.100 4 H45 bmse000600 1 297 1 1 1 H53 H 1 1.373 4 H45 bmse000600 1 298 1 1 1 H53 H 1 1.535 4 H45 bmse000600 1 299 1 1 1 H54 H 1 2.600 4 H46 bmse000600 1 300 1 1 1 H54 H 1 1.781 4 H46 bmse000600 1 301 1 1 1 H54 H 1 1.264 4 H46 bmse000600 1 302 1 1 1 H54 H 1 1.225 4 H46 bmse000600 1 303 1 1 1 H54 H 1 1.100 4 H46 bmse000600 1 304 1 1 1 H54 H 1 1.373 4 H46 bmse000600 1 305 1 1 1 H54 H 1 1.535 4 H46 bmse000600 1 306 1 1 1 H55 H 1 2.600 4 H47 bmse000600 1 307 1 1 1 H55 H 1 1.781 4 H47 bmse000600 1 308 1 1 1 H55 H 1 1.264 4 H47 bmse000600 1 309 1 1 1 H55 H 1 1.225 4 H47 bmse000600 1 310 1 1 1 H55 H 1 1.100 4 H47 bmse000600 1 311 1 1 1 H55 H 1 1.373 4 H47 bmse000600 1 312 1 1 1 H55 H 1 1.535 4 H47 bmse000600 1 313 1 1 1 H58 H 1 2.600 4 H48 bmse000600 1 314 1 1 1 H58 H 1 1.781 4 H48 bmse000600 1 315 1 1 1 H58 H 1 1.264 4 H48 bmse000600 1 316 1 1 1 H58 H 1 1.225 4 H48 bmse000600 1 317 1 1 1 H58 H 1 1.100 4 H48 bmse000600 1 318 1 1 1 H58 H 1 1.373 4 H48 bmse000600 1 319 1 1 1 H58 H 1 1.535 4 H48 bmse000600 1 320 1 1 1 H59 H 1 2.600 4 H49 bmse000600 1 321 1 1 1 H59 H 1 1.781 4 H49 bmse000600 1 322 1 1 1 H59 H 1 1.264 4 H49 bmse000600 1 323 1 1 1 H59 H 1 1.225 4 H49 bmse000600 1 324 1 1 1 H59 H 1 1.100 4 H49 bmse000600 1 325 1 1 1 H59 H 1 1.373 4 H49 bmse000600 1 326 1 1 1 H59 H 1 1.535 4 H49 bmse000600 1 327 1 1 1 H66 H 1 2.600 4 H50 bmse000600 1 328 1 1 1 H66 H 1 1.781 4 H50 bmse000600 1 329 1 1 1 H66 H 1 1.264 4 H50 bmse000600 1 330 1 1 1 H66 H 1 1.225 4 H50 bmse000600 1 331 1 1 1 H66 H 1 1.100 4 H50 bmse000600 1 332 1 1 1 H66 H 1 1.373 4 H50 bmse000600 1 333 1 1 1 H66 H 1 1.535 4 H50 bmse000600 1 334 1 1 1 H67 H 1 2.600 4 H51 bmse000600 1 335 1 1 1 H67 H 1 1.781 4 H51 bmse000600 1 336 1 1 1 H67 H 1 1.264 4 H51 bmse000600 1 337 1 1 1 H67 H 1 1.225 4 H51 bmse000600 1 338 1 1 1 H67 H 1 1.100 4 H51 bmse000600 1 339 1 1 1 H67 H 1 1.373 4 H51 bmse000600 1 340 1 1 1 H67 H 1 1.535 4 H51 bmse000600 1 341 1 1 1 H42 H 1 0.850 4 H53 bmse000600 1 342 1 1 1 H41 H 1 0.850 4 H54 bmse000600 1 343 1 1 1 H43 H 1 0.850 4 H55 bmse000600 1 344 1 1 1 H64 H 1 2.600 4 H56 bmse000600 1 345 1 1 1 H64 H 1 1.781 4 H56 bmse000600 1 346 1 1 1 H64 H 1 1.264 4 H56 bmse000600 1 347 1 1 1 H64 H 1 1.225 4 H56 bmse000600 1 348 1 1 1 H64 H 1 1.100 4 H56 bmse000600 1 349 1 1 1 H64 H 1 1.373 4 H56 bmse000600 1 350 1 1 1 H64 H 1 1.535 4 H56 bmse000600 1 351 1 1 1 H65 H 1 2.600 4 H57 bmse000600 1 352 1 1 1 H65 H 1 1.781 4 H57 bmse000600 1 353 1 1 1 H65 H 1 1.264 4 H57 bmse000600 1 354 1 1 1 H65 H 1 1.225 4 H57 bmse000600 1 355 1 1 1 H65 H 1 1.100 4 H57 bmse000600 1 356 1 1 1 H65 H 1 1.373 4 H57 bmse000600 1 357 1 1 1 H65 H 1 1.535 4 H57 bmse000600 1 358 1 1 1 H56 H 1 2.600 4 H58 bmse000600 1 359 1 1 1 H56 H 1 1.781 4 H58 bmse000600 1 360 1 1 1 H56 H 1 1.264 4 H58 bmse000600 1 361 1 1 1 H56 H 1 1.225 4 H58 bmse000600 1 362 1 1 1 H56 H 1 1.100 4 H58 bmse000600 1 363 1 1 1 H56 H 1 1.373 4 H58 bmse000600 1 364 1 1 1 H56 H 1 1.535 4 H58 bmse000600 1 365 1 1 1 H57 H 1 2.600 4 H59 bmse000600 1 366 1 1 1 H57 H 1 1.781 4 H59 bmse000600 1 367 1 1 1 H57 H 1 1.264 4 H59 bmse000600 1 368 1 1 1 H57 H 1 1.225 4 H59 bmse000600 1 369 1 1 1 H57 H 1 1.100 4 H59 bmse000600 1 370 1 1 1 H57 H 1 1.373 4 H59 bmse000600 1 371 1 1 1 H57 H 1 1.535 4 H59 bmse000600 1 372 1 1 1 H38 H 1 0.850 4 H60 bmse000600 1 373 1 1 1 H40 H 1 0.850 4 H61 bmse000600 1 374 1 1 1 H39 H 1 0.850 4 H62 bmse000600 1 375 1 1 1 H62 H 1 2.600 4 H63 bmse000600 1 376 1 1 1 H62 H 1 1.781 4 H63 bmse000600 1 377 1 1 1 H62 H 1 1.264 4 H63 bmse000600 1 378 1 1 1 H62 H 1 1.225 4 H63 bmse000600 1 379 1 1 1 H62 H 1 1.100 4 H63 bmse000600 1 380 1 1 1 H62 H 1 1.373 4 H63 bmse000600 1 381 1 1 1 H62 H 1 1.535 4 H63 bmse000600 1 382 1 1 1 H63 H 1 2.600 4 H64 bmse000600 1 383 1 1 1 H63 H 1 1.781 4 H64 bmse000600 1 384 1 1 1 H63 H 1 1.264 4 H64 bmse000600 1 385 1 1 1 H63 H 1 1.225 4 H64 bmse000600 1 386 1 1 1 H63 H 1 1.100 4 H64 bmse000600 1 387 1 1 1 H63 H 1 1.373 4 H64 bmse000600 1 388 1 1 1 H63 H 1 1.535 4 H64 bmse000600 1 389 1 1 1 H51 H 1 2.157 4 H66 bmse000600 1 390 1 1 1 H51 H 1 2.109 4 H66 bmse000600 1 391 1 1 1 H52 H 1 2.157 4 H67 bmse000600 1 392 1 1 1 H52 H 1 2.109 4 H67 bmse000600 1 393 1 1 1 H50 H 1 2.157 4 H68 bmse000600 1 394 1 1 1 H50 H 1 2.109 4 H68 bmse000600 1 395 1 1 1 H48 H 1 2.157 4 H69 bmse000600 1 396 1 1 1 H48 H 1 2.109 4 H69 bmse000600 1 397 1 1 1 H49 H 1 2.157 4 H70 bmse000600 1 398 1 1 1 H49 H 1 2.109 4 H70 bmse000600 1 399 1 1 1 H47 H 1 2.157 4 H71 bmse000600 1 400 1 1 1 H47 H 1 2.109 4 H71 bmse000600 1 401 1 1 1 H44 H 1 2.157 4 H72 bmse000600 1 402 1 1 1 H44 H 1 2.109 4 H72 bmse000600 1 403 1 1 1 H45 H 1 2.157 4 H73 bmse000600 1 404 1 1 1 H45 H 1 2.109 4 H73 bmse000600 1 405 1 1 1 H46 H 1 2.157 4 H74 bmse000600 1 406 1 1 1 H46 H 1 2.109 4 H74 bmse000600 1 407 1 1 1 H32 H 1 0.850 4 H75 bmse000600 1 408 1 1 1 H33 H 1 0.850 4 H76 bmse000600 1 409 1 1 1 H34 H 1 0.850 4 H77 bmse000600 1 410 1 1 1 H37 H 1 0.850 4 H78 bmse000600 1 411 1 1 1 H35 H 1 0.850 4 H79 bmse000600 1 412 1 1 1 H36 H 1 0.850 4 H80 bmse000600 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 2 bmse000600 1 1 15 bmse000600 1 1 28 bmse000600 1 1 43 bmse000600 1 1 56 bmse000600 1 1 69 bmse000600 1 1 91 bmse000600 1 1 106 bmse000600 1 1 126 bmse000600 1 1 147 bmse000600 1 1 175 bmse000600 1 2 3 bmse000600 1 2 16 bmse000600 1 2 29 bmse000600 1 2 44 bmse000600 1 2 57 bmse000600 1 2 70 bmse000600 1 2 92 bmse000600 1 2 107 bmse000600 1 2 127 bmse000600 1 2 148 bmse000600 1 2 176 bmse000600 1 3 4 bmse000600 1 3 17 bmse000600 1 3 30 bmse000600 1 3 45 bmse000600 1 3 58 bmse000600 1 3 71 bmse000600 1 3 93 bmse000600 1 3 108 bmse000600 1 3 128 bmse000600 1 3 149 bmse000600 1 3 177 bmse000600 1 4 5 bmse000600 1 4 18 bmse000600 1 4 31 bmse000600 1 4 46 bmse000600 1 4 59 bmse000600 1 4 72 bmse000600 1 4 94 bmse000600 1 4 109 bmse000600 1 4 129 bmse000600 1 4 150 bmse000600 1 4 178 bmse000600 1 5 6 bmse000600 1 5 19 bmse000600 1 5 32 bmse000600 1 5 47 bmse000600 1 5 60 bmse000600 1 5 73 bmse000600 1 5 95 bmse000600 1 5 110 bmse000600 1 5 130 bmse000600 1 5 151 bmse000600 1 5 179 bmse000600 1 6 7 bmse000600 1 6 20 bmse000600 1 6 33 bmse000600 1 6 48 bmse000600 1 6 61 bmse000600 1 6 74 bmse000600 1 6 96 bmse000600 1 6 111 bmse000600 1 6 131 bmse000600 1 6 152 bmse000600 1 6 180 bmse000600 1 7 8 bmse000600 1 7 21 bmse000600 1 7 34 bmse000600 1 7 49 bmse000600 1 7 62 bmse000600 1 7 75 bmse000600 1 7 97 bmse000600 1 7 112 bmse000600 1 7 132 bmse000600 1 7 153 bmse000600 1 7 181 bmse000600 1 8 9 bmse000600 1 8 22 bmse000600 1 8 35 bmse000600 1 8 50 bmse000600 1 8 63 bmse000600 1 8 76 bmse000600 1 8 98 bmse000600 1 8 113 bmse000600 1 8 133 bmse000600 1 8 154 bmse000600 1 8 182 bmse000600 1 9 10 bmse000600 1 9 23 bmse000600 1 9 36 bmse000600 1 9 51 bmse000600 1 9 64 bmse000600 1 9 77 bmse000600 1 9 99 bmse000600 1 9 114 bmse000600 1 9 134 bmse000600 1 9 155 bmse000600 1 9 183 bmse000600 1 10 11 bmse000600 1 10 24 bmse000600 1 10 37 bmse000600 1 10 52 bmse000600 1 10 65 bmse000600 1 10 78 bmse000600 1 10 100 bmse000600 1 10 115 bmse000600 1 10 135 bmse000600 1 10 156 bmse000600 1 10 184 bmse000600 1 11 12 bmse000600 1 11 25 bmse000600 1 11 38 bmse000600 1 11 53 bmse000600 1 11 66 bmse000600 1 11 79 bmse000600 1 11 101 bmse000600 1 11 116 bmse000600 1 11 136 bmse000600 1 11 157 bmse000600 1 11 185 bmse000600 1 12 13 bmse000600 1 12 26 bmse000600 1 12 39 bmse000600 1 12 54 bmse000600 1 12 67 bmse000600 1 12 80 bmse000600 1 12 102 bmse000600 1 12 117 bmse000600 1 12 137 bmse000600 1 12 158 bmse000600 1 12 186 bmse000600 1 13 14 bmse000600 1 13 27 bmse000600 1 13 40 bmse000600 1 13 55 bmse000600 1 13 68 bmse000600 1 13 81 bmse000600 1 13 103 bmse000600 1 13 118 bmse000600 1 13 138 bmse000600 1 13 159 bmse000600 1 13 187 bmse000600 1 14 41 bmse000600 1 14 119 bmse000600 1 15 42 bmse000600 1 15 120 bmse000600 1 16 82 bmse000600 1 16 121 bmse000600 1 16 164 bmse000600 1 16 198 bmse000600 1 16 203 bmse000600 1 17 83 bmse000600 1 17 122 bmse000600 1 17 165 bmse000600 1 17 199 bmse000600 1 17 204 bmse000600 1 18 84 bmse000600 1 18 123 bmse000600 1 18 166 bmse000600 1 18 200 bmse000600 1 18 205 bmse000600 1 19 85 bmse000600 1 19 124 bmse000600 1 19 167 bmse000600 1 19 201 bmse000600 1 19 206 bmse000600 1 20 86 bmse000600 1 20 125 bmse000600 1 20 168 bmse000600 1 20 202 bmse000600 1 20 207 bmse000600 1 21 87 bmse000600 1 21 139 bmse000600 1 21 143 bmse000600 1 21 160 bmse000600 1 21 171 bmse000600 1 22 88 bmse000600 1 22 140 bmse000600 1 22 144 bmse000600 1 22 161 bmse000600 1 22 172 bmse000600 1 23 89 bmse000600 1 23 141 bmse000600 1 23 145 bmse000600 1 23 162 bmse000600 1 23 173 bmse000600 1 24 90 bmse000600 1 24 142 bmse000600 1 24 146 bmse000600 1 24 163 bmse000600 1 24 174 bmse000600 1 25 104 bmse000600 1 25 169 bmse000600 1 26 105 bmse000600 1 26 170 bmse000600 1 27 189 bmse000600 1 27 192 bmse000600 1 27 195 bmse000600 1 28 190 bmse000600 1 28 193 bmse000600 1 28 196 bmse000600 1 29 191 bmse000600 1 29 194 bmse000600 1 29 197 bmse000600 1 30 208 bmse000600 1 30 215 bmse000600 1 30 222 bmse000600 1 30 229 bmse000600 1 30 236 bmse000600 1 30 243 bmse000600 1 30 250 bmse000600 1 30 257 bmse000600 1 30 264 bmse000600 1 30 271 bmse000600 1 30 278 bmse000600 1 30 285 bmse000600 1 30 292 bmse000600 1 30 299 bmse000600 1 30 306 bmse000600 1 30 313 bmse000600 1 30 320 bmse000600 1 30 327 bmse000600 1 30 334 bmse000600 1 30 344 bmse000600 1 30 351 bmse000600 1 30 358 bmse000600 1 30 365 bmse000600 1 30 375 bmse000600 1 30 382 bmse000600 1 31 209 bmse000600 1 31 216 bmse000600 1 31 223 bmse000600 1 31 230 bmse000600 1 31 237 bmse000600 1 31 244 bmse000600 1 31 251 bmse000600 1 31 258 bmse000600 1 31 265 bmse000600 1 31 272 bmse000600 1 31 279 bmse000600 1 31 286 bmse000600 1 31 293 bmse000600 1 31 300 bmse000600 1 31 307 bmse000600 1 31 314 bmse000600 1 31 321 bmse000600 1 31 328 bmse000600 1 31 335 bmse000600 1 31 345 bmse000600 1 31 352 bmse000600 1 31 359 bmse000600 1 31 366 bmse000600 1 31 376 bmse000600 1 31 383 bmse000600 1 32 210 bmse000600 1 32 217 bmse000600 1 32 224 bmse000600 1 32 231 bmse000600 1 32 238 bmse000600 1 32 245 bmse000600 1 32 252 bmse000600 1 32 259 bmse000600 1 32 266 bmse000600 1 32 273 bmse000600 1 32 280 bmse000600 1 32 287 bmse000600 1 32 294 bmse000600 1 32 301 bmse000600 1 32 308 bmse000600 1 32 315 bmse000600 1 32 322 bmse000600 1 32 329 bmse000600 1 32 336 bmse000600 1 32 346 bmse000600 1 32 353 bmse000600 1 32 360 bmse000600 1 32 367 bmse000600 1 32 377 bmse000600 1 32 384 bmse000600 1 33 211 bmse000600 1 33 218 bmse000600 1 33 225 bmse000600 1 33 232 bmse000600 1 33 239 bmse000600 1 33 246 bmse000600 1 33 253 bmse000600 1 33 260 bmse000600 1 33 267 bmse000600 1 33 274 bmse000600 1 33 281 bmse000600 1 33 288 bmse000600 1 33 295 bmse000600 1 33 302 bmse000600 1 33 309 bmse000600 1 33 316 bmse000600 1 33 323 bmse000600 1 33 330 bmse000600 1 33 337 bmse000600 1 33 347 bmse000600 1 33 354 bmse000600 1 33 361 bmse000600 1 33 368 bmse000600 1 33 378 bmse000600 1 33 385 bmse000600 1 34 212 bmse000600 1 34 219 bmse000600 1 34 226 bmse000600 1 34 233 bmse000600 1 34 240 bmse000600 1 34 247 bmse000600 1 34 254 bmse000600 1 34 261 bmse000600 1 34 268 bmse000600 1 34 275 bmse000600 1 34 282 bmse000600 1 34 289 bmse000600 1 34 296 bmse000600 1 34 303 bmse000600 1 34 310 bmse000600 1 34 317 bmse000600 1 34 324 bmse000600 1 34 331 bmse000600 1 34 338 bmse000600 1 34 348 bmse000600 1 34 355 bmse000600 1 34 362 bmse000600 1 34 369 bmse000600 1 34 379 bmse000600 1 34 386 bmse000600 1 35 213 bmse000600 1 35 220 bmse000600 1 35 227 bmse000600 1 35 234 bmse000600 1 35 241 bmse000600 1 35 248 bmse000600 1 35 255 bmse000600 1 35 262 bmse000600 1 35 269 bmse000600 1 35 276 bmse000600 1 35 283 bmse000600 1 35 290 bmse000600 1 35 297 bmse000600 1 35 304 bmse000600 1 35 311 bmse000600 1 35 318 bmse000600 1 35 325 bmse000600 1 35 332 bmse000600 1 35 339 bmse000600 1 35 349 bmse000600 1 35 356 bmse000600 1 35 363 bmse000600 1 35 370 bmse000600 1 35 380 bmse000600 1 35 387 bmse000600 1 36 214 bmse000600 1 36 221 bmse000600 1 36 228 bmse000600 1 36 235 bmse000600 1 36 242 bmse000600 1 36 249 bmse000600 1 36 256 bmse000600 1 36 263 bmse000600 1 36 270 bmse000600 1 36 277 bmse000600 1 36 284 bmse000600 1 36 291 bmse000600 1 36 298 bmse000600 1 36 305 bmse000600 1 36 312 bmse000600 1 36 319 bmse000600 1 36 326 bmse000600 1 36 333 bmse000600 1 36 340 bmse000600 1 36 350 bmse000600 1 36 357 bmse000600 1 36 364 bmse000600 1 36 371 bmse000600 1 36 381 bmse000600 1 36 388 bmse000600 1 37 341 bmse000600 1 37 342 bmse000600 1 37 343 bmse000600 1 37 372 bmse000600 1 37 373 bmse000600 1 37 374 bmse000600 1 37 407 bmse000600 1 37 408 bmse000600 1 37 409 bmse000600 1 37 410 bmse000600 1 37 411 bmse000600 1 37 412 bmse000600 1 38 389 bmse000600 1 38 391 bmse000600 1 38 393 bmse000600 1 38 395 bmse000600 1 38 397 bmse000600 1 38 399 bmse000600 1 38 401 bmse000600 1 38 403 bmse000600 1 38 405 bmse000600 1 39 390 bmse000600 1 39 392 bmse000600 1 39 394 bmse000600 1 39 396 bmse000600 1 39 398 bmse000600 1 39 400 bmse000600 1 39 402 bmse000600 1 39 404 bmse000600 1 39 406 bmse000600 1 stop_ save_