################################### # 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_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34835 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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_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-13C HSQC aromatic' . . . 34835 1 2 '2D 1H-1H NOESY' . . . 34835 1 3 '2D 1H-15N HSQC' . . . 34835 1 4 '2D DQF-COSY' . . . 34835 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 1 1 DG H1 H 1 11.301 0.003 . 1 . . 1294 . A 1 DG H1 . 34835 1 2 . 1 . 1 1 1 DG H1' H 1 5.698 0.002 . 1 . . 1199 . A 1 DG H1' . 34835 1 3 . 1 . 1 1 1 DG H2' H 1 2.086 0.002 . 1 . . 1342 . A 1 DG H2' . 34835 1 4 . 1 . 1 1 1 DG H2'' H 1 2.460 0.004 . 1 . . 1343 . A 1 DG H2'' . 34835 1 5 . 1 . 1 1 1 DG H3' H 1 4.892 0.002 . 1 . . 1300 . A 1 DG H3' . 34835 1 6 . 1 . 1 1 1 DG H4' H 1 4.163 0.002 . 1 . . 1537 . A 1 DG H4' . 34835 1 7 . 1 . 1 1 1 DG H8 H 1 7.297 0.003 . 1 . . 1198 . A 1 DG H8 . 34835 1 8 . 1 . 1 1 1 DG C5 C 13 119.643 0.002 . 1 . . 1285 . A 1 DG C5 . 34835 1 9 . 1 . 1 1 1 DG C8 C 13 140.412 . . 1 . . 1233 . A 1 DG C8 . 34835 1 10 . 1 . 1 2 2 DG H1 H 1 11.845 0.005 . 1 . . 1291 . A 2 DG H1 . 34835 1 11 . 1 . 1 2 2 DG H1' H 1 5.899 0.003 . 1 . . 1197 . A 2 DG H1' . 34835 1 12 . 1 . 1 2 2 DG H2' H 1 2.344 0.003 . 1 . . 1344 . A 2 DG H2' . 34835 1 13 . 1 . 1 2 2 DG H2'' H 1 2.624 0.004 . 1 . . 1345 . A 2 DG H2'' . 34835 1 14 . 1 . 1 2 2 DG H3' H 1 4.968 0.003 . 1 . . 1301 . A 2 DG H3' . 34835 1 15 . 1 . 1 2 2 DG H8 H 1 7.594 0.002 . 1 . . 1196 . A 2 DG H8 . 34835 1 16 . 1 . 1 2 2 DG C5 C 13 116.988 0.007 . 1 . . 1280 . A 2 DG C5 . 34835 1 17 . 1 . 1 2 2 DG C8 C 13 137.681 . . 1 . . 1241 . A 2 DG C8 . 34835 1 18 . 1 . 1 3 3 DG H1' H 1 5.544 0.003 . 1 . . 1195 . A 3 DG H1' . 34835 1 19 . 1 . 1 3 3 DG H2' H 1 2.475 0.001 . 1 . . 1268 . A 3 DG H2' . 34835 1 20 . 1 . 1 3 3 DG H2'' H 1 2.318 0.004 . 1 . . 1267 . A 3 DG H2'' . 34835 1 21 . 1 . 1 3 3 DG H3' H 1 4.778 0.001 . 1 . . 1302 . A 3 DG H3' . 34835 1 22 . 1 . 1 3 3 DG H4' H 1 4.368 . . 1 . . 1303 . A 3 DG H4' . 34835 1 23 . 1 . 1 3 3 DG H8 H 1 7.930 0.002 . 1 . . 1194 . A 3 DG H8 . 34835 1 24 . 1 . 1 3 3 DG C5 C 13 118.306 . . 1 . . 1277 . A 3 DG C5 . 34835 1 25 . 1 . 1 3 3 DG C8 C 13 138.773 . . 1 . . 1244 . A 3 DG C8 . 34835 1 26 . 1 . 1 4 4 DT H1' H 1 5.431 0.002 . 1 . . 1192 . A 4 DT H1' . 34835 1 27 . 1 . 1 4 4 DT H2' H 1 1.648 0.003 . 1 . . 1265 . A 4 DT H2' . 34835 1 28 . 1 . 1 4 4 DT H2'' H 1 1.780 0.003 . 1 . . 1266 . A 4 DT H2'' . 34835 1 29 . 1 . 1 4 4 DT H3' H 1 4.325 0.004 . 1 . . 1305 . A 4 DT H3' . 34835 1 30 . 1 . 1 4 4 DT H6 H 1 6.792 0.001 . 1 . . 1193 . A 4 DT H6 . 34835 1 31 . 1 . 1 4 4 DT H71 H 1 1.310 0.001 . 1 . . 1264 . A 4 DT H71 . 34835 1 32 . 1 . 1 4 4 DT H72 H 1 1.310 0.001 . 1 . . 1264 . A 4 DT H72 . 34835 1 33 . 1 . 1 4 4 DT H73 H 1 1.310 0.001 . 1 . . 1264 . A 4 DT H73 . 34835 1 34 . 1 . 1 4 4 DT C6 C 13 138.633 . . 1 . . 1229 . A 4 DT C6 . 34835 1 35 . 1 . 1 5 5 DA H1' H 1 6.288 0.002 . 1 . . 1191 . A 5 DA H1' . 34835 1 36 . 1 . 1 5 5 DA H2 H 1 7.977 0.002 . 1 . . 1201 . A 5 DA H2 . 34835 1 37 . 1 . 1 5 5 DA H2' H 1 2.701 0.003 . 1 . . 1350 . A 5 DA H2' . 34835 1 38 . 1 . 1 5 5 DA H2'' H 1 3.243 0.001 . 1 . . 1349 . A 5 DA H2'' . 34835 1 39 . 1 . 1 5 5 DA H3' H 1 4.803 0.001 . 1 . . 1306 . A 5 DA H3' . 34835 1 40 . 1 . 1 5 5 DA H8 H 1 8.262 0.002 . 1 . . 1179 . A 5 DA H8 . 34835 1 41 . 1 . 1 5 5 DA C2 C 13 155.132 . . 1 . . 1256 . A 5 DA C2 . 34835 1 42 . 1 . 1 5 5 DA C8 C 13 141.357 . . 1 . . 1248 . A 5 DA C8 . 34835 1 43 . 1 . 1 6 6 DG H1 H 1 11.242 0.004 . 1 . . 1296 . A 6 DG H1 . 34835 1 44 . 1 . 1 6 6 DG H1' H 1 5.702 0.002 . 1 . . 1190 . A 6 DG H1' . 34835 1 45 . 1 . 1 6 6 DG H2' H 1 2.878 0.002 . 1 . . 1352 . A 6 DG H2' . 34835 1 46 . 1 . 1 6 6 DG H2'' H 1 2.719 0.003 . 1 . . 1351 . A 6 DG H2'' . 34835 1 47 . 1 . 1 6 6 DG H3' H 1 4.894 0.002 . 1 . . 1308 . A 6 DG H3' . 34835 1 48 . 1 . 1 6 6 DG H8 H 1 6.814 0.002 . 1 . . 1189 . A 6 DG H8 . 34835 1 49 . 1 . 1 6 6 DG C5 C 13 118.353 0.003 . 1 . . 1286 . A 6 DG C5 . 34835 1 50 . 1 . 1 6 6 DG C8 C 13 141.052 . . 1 . . 1230 . A 6 DG C8 . 34835 1 51 . 1 . 1 7 7 DG H1 H 1 12.001 0.002 . 1 . . 1290 . A 7 DG H1 . 34835 1 52 . 1 . 1 7 7 DG H1' H 1 5.704 0.003 . 1 . . 1188 . A 7 DG H1' . 34835 1 53 . 1 . 1 7 7 DG H2' H 1 2.640 0.003 . 1 . . 1354 . A 7 DG H2' . 34835 1 54 . 1 . 1 7 7 DG H2'' H 1 2.554 0.002 . 1 . . 1353 . A 7 DG H2'' . 34835 1 55 . 1 . 1 7 7 DG H3' H 1 5.026 0.003 . 1 . . 1307 . A 7 DG H3' . 34835 1 56 . 1 . 1 7 7 DG H8 H 1 8.039 0.001 . 1 . . 1187 . A 7 DG H8 . 34835 1 57 . 1 . 1 7 7 DG C5 C 13 116.774 0.002 . 1 . . 1275 . A 7 DG C5 . 34835 1 58 . 1 . 1 7 7 DG C8 C 13 138.552 . . 1 . . 1254 . A 7 DG C8 . 34835 1 59 . 1 . 1 8 8 DG H1 H 1 11.270 0.003 . 1 . . 1297 . A 8 DG H1 . 34835 1 60 . 1 . 1 8 8 DG H1' H 1 6.123 0.002 . 1 . . 1186 . A 8 DG H1' . 34835 1 61 . 1 . 1 8 8 DG H2' H 1 2.632 0.002 . 1 . . 1206 . A 8 DG H2' . 34835 1 62 . 1 . 1 8 8 DG H2'' H 1 2.760 0.001 . 1 . . 1207 . A 8 DG H2'' . 34835 1 63 . 1 . 1 8 8 DG H3' H 1 4.774 0.002 . 1 . . 1309 . A 8 DG H3' . 34835 1 64 . 1 . 1 8 8 DG H8 H 1 7.543 0.002 . 1 . . 1185 . A 8 DG H8 . 34835 1 65 . 1 . 1 8 8 DG C5 C 13 117.465 0.002 . 1 . . 1281 . A 8 DG C5 . 34835 1 66 . 1 . 1 8 8 DG C8 C 13 136.990 . . 1 . . 1240 . A 8 DG C8 . 34835 1 67 . 1 . 1 9 9 DC H1' H 1 5.828 0.003 . 1 . . 1183 . A 9 DC H1' . 34835 1 68 . 1 . 1 9 9 DC H2' H 1 1.624 0.002 . 1 . . 1204 . A 9 DC H2' . 34835 1 69 . 1 . 1 9 9 DC H2'' H 1 2.203 0.003 . 1 . . 1205 . A 9 DC H2'' . 34835 1 70 . 1 . 1 9 9 DC H3' H 1 4.640 0.001 . 1 . . 1312 . A 9 DC H3' . 34835 1 71 . 1 . 1 9 9 DC H4' H 1 4.091 0.002 . 1 . . 1523 . A 9 DC H4' . 34835 1 72 . 1 . 1 9 9 DC H5 H 1 5.019 0.007 . 1 . . 1208 . A 9 DC H5 . 34835 1 73 . 1 . 1 9 9 DC H6 H 1 7.085 0.001 . 1 . . 1182 . A 9 DC H6 . 34835 1 74 . 1 . 1 9 9 DC H41 H 1 7.654 0.001 . 1 . . 1202 . A 9 DC H41 . 34835 1 75 . 1 . 1 9 9 DC H42 H 1 6.619 0.002 . 1 . . 1203 . A 9 DC H42 . 34835 1 76 . 1 . 1 9 9 DC C6 C 13 141.515 . . 1 . . 1225 . A 9 DC C6 . 34835 1 77 . 1 . 1 10 10 DG H1' H 1 6.236 0.003 . 1 . . 1210 . A 10 DG H1' . 34835 1 78 . 1 . 1 10 10 DG H2' H 1 2.483 0.003 . 1 . . 1346 . A 10 DG H2' . 34835 1 79 . 1 . 1 10 10 DG H2'' H 1 2.593 0.001 . 1 . . 1347 . A 10 DG H2'' . 34835 1 80 . 1 . 1 10 10 DG H3' H 1 4.652 0.001 . 1 . . 1313 . A 10 DG H3' . 34835 1 81 . 1 . 1 10 10 DG H4' H 1 4.018 0.001 . 1 . . 1535 . A 10 DG H4' . 34835 1 82 . 1 . 1 10 10 DG H5' H 1 3.670 0.002 . 2 . . 1533 . A 10 DG H5' . 34835 1 83 . 1 . 1 10 10 DG H5'' H 1 3.754 0.004 . 2 . . 1534 . A 10 DG H5'' . 34835 1 84 . 1 . 1 10 10 DG H8 H 1 7.714 0.001 . 1 . . 1209 . A 10 DG H8 . 34835 1 85 . 1 . 1 10 10 DG C5 C 13 119.109 . . 1 . . 1279 . A 10 DG C5 . 34835 1 86 . 1 . 1 10 10 DG C8 C 13 138.648 . . 1 . . 1243 . A 10 DG C8 . 34835 1 87 . 1 . 1 11 11 DG H1 H 1 11.106 0.004 . 1 . . 1299 . A 11 DG H1 . 34835 1 88 . 1 . 1 11 11 DG H1' H 1 5.939 0.002 . 1 . . 1224 . A 11 DG H1' . 34835 1 89 . 1 . 1 11 11 DG H2' H 1 2.968 0.003 . 1 . . 1340 . A 11 DG H2' . 34835 1 90 . 1 . 1 11 11 DG H2'' H 1 2.976 0.002 . 1 . . 1341 . A 11 DG H2'' . 34835 1 91 . 1 . 1 11 11 DG H3' H 1 4.983 0.002 . 1 . . 1314 . A 11 DG H3' . 34835 1 92 . 1 . 1 11 11 DG H4' H 1 4.466 0.003 . 1 . . 1536 . A 11 DG H4' . 34835 1 93 . 1 . 1 11 11 DG H8 H 1 6.601 0.002 . 1 . . 1211 . A 11 DG H8 . 34835 1 94 . 1 . 1 11 11 DG C5 C 13 118.734 0.002 . 1 . . 1287 . A 11 DG C5 . 34835 1 95 . 1 . 1 11 11 DG C8 C 13 139.583 . . 1 . . 1228 . A 11 DG C8 . 34835 1 96 . 1 . 1 12 12 DC H1' H 1 6.427 0.002 . 1 . . 1213 . A 12 DC H1' . 34835 1 97 . 1 . 1 12 12 DC H2' H 1 2.329 0.004 . 1 . . 1219 . A 12 DC H2' . 34835 1 98 . 1 . 1 12 12 DC H2'' H 1 2.792 0.002 . 1 . . 1220 . A 12 DC H2'' . 34835 1 99 . 1 . 1 12 12 DC H3' H 1 4.986 0.002 . 1 . . 1381 . A 12 DC H3' . 34835 1 100 . 1 . 1 12 12 DC H4' H 1 4.673 0.002 . 1 . . 1317 . A 12 DC H4' . 34835 1 101 . 1 . 1 12 12 DC H5 H 1 6.173 0.001 . 1 . . 1272 . A 12 DC H5 . 34835 1 102 . 1 . 1 12 12 DC H5' H 1 4.343 0.0 . 1 . . 1540 . A 12 DC H5' . 34835 1 103 . 1 . 1 12 12 DC H6 H 1 8.092 0.001 . 1 . . 1212 . A 12 DC H6 . 34835 1 104 . 1 . 1 12 12 DC C6 C 13 144.869 . . 1 . . 1226 . A 12 DC C6 . 34835 1 105 . 1 . 1 13 13 DG H1 H 1 11.749 0.003 . 1 . . 1292 . A 13 DG H1 . 34835 1 106 . 1 . 1 13 13 DG H1' H 1 5.988 0.003 . 1 . . 1269 . A 13 DG H1' . 34835 1 107 . 1 . 1 13 13 DG H2' H 1 2.941 0.002 . 1 . . 1339 . A 13 DG H2' . 34835 1 108 . 1 . 1 13 13 DG H2'' H 1 2.933 0.003 . 1 . . 1338 . A 13 DG H2'' . 34835 1 109 . 1 . 1 13 13 DG H3' H 1 5.055 0.003 . 1 . . 1318 . A 13 DG H3' . 34835 1 110 . 1 . 1 13 13 DG H4' H 1 4.362 0.002 . 1 . . 1367 . A 13 DG H4' . 34835 1 111 . 1 . 1 13 13 DG H8 H 1 7.348 0.002 . 1 . . 1234 . A 13 DG H8 . 34835 1 112 . 1 . 1 13 13 DG C5 C 13 119.436 0.006 . 1 . . 1284 . A 13 DG C5 . 34835 1 113 . 1 . 1 13 13 DG C8 C 13 141.881 . . 1 . . 1235 . A 13 DG C8 . 34835 1 114 . 1 . 1 14 14 DG H1 H 1 12.349 0.002 . 1 . . 1288 . A 14 DG H1 . 34835 1 115 . 1 . 1 14 14 DG H1' H 1 5.645 0.002 . 1 . . 1270 . A 14 DG H1' . 34835 1 116 . 1 . 1 14 14 DG H2' H 1 2.756 0.002 . 1 . . 1337 . A 14 DG H2' . 34835 1 117 . 1 . 1 14 14 DG H2'' H 1 2.602 0.002 . 1 . . 1336 . A 14 DG H2'' . 34835 1 118 . 1 . 1 14 14 DG H3' H 1 5.098 0.002 . 1 . . 1304 . A 14 DG H3' . 34835 1 119 . 1 . 1 14 14 DG H4' H 1 4.432 0.006 . 1 . . 1366 . A 14 DG H4' . 34835 1 120 . 1 . 1 14 14 DG H5' H 1 4.232 0.003 . 1 . . 1356 . A 14 DG H5' . 34835 1 121 . 1 . 1 14 14 DG H8 H 1 8.130 0.001 . 1 . . 1250 . A 14 DG H8 . 34835 1 122 . 1 . 1 14 14 DG C5 C 13 117.343 0.018 . 1 . . 1273 . A 14 DG C5 . 34835 1 123 . 1 . 1 14 14 DG C8 C 13 139.782 . . 1 . . 1251 . A 14 DG C8 . 34835 1 124 . 1 . 1 15 15 DG H1 H 1 11.211 0.003 . 1 . . 1298 . A 15 DG H1 . 34835 1 125 . 1 . 1 15 15 DG H1' H 1 6.357 0.004 . 1 . . 1271 . A 15 DG H1' . 34835 1 126 . 1 . 1 15 15 DG H2' H 1 2.715 0.004 . 1 . . 1320 . A 15 DG H2' . 34835 1 127 . 1 . 1 15 15 DG H2'' H 1 2.537 0.004 . 1 . . 1321 . A 15 DG H2'' . 34835 1 128 . 1 . 1 15 15 DG H3' H 1 5.075 0.002 . 1 . . 1315 . A 15 DG H3' . 34835 1 129 . 1 . 1 15 15 DG H8 H 1 7.960 0.001 . 1 . . 1245 . A 15 DG H8 . 34835 1 130 . 1 . 1 15 15 DG C5 C 13 117.515 0.002 . 1 . . 1276 . A 15 DG C5 . 34835 1 131 . 1 . 1 15 15 DG C8 C 13 137.861 . . 1 . . 1246 . A 15 DG C8 . 34835 1 132 . 1 . 1 16 16 DG H1' H 1 6.268 0.005 . 1 . . 1215 . A 16 DG H1' . 34835 1 133 . 1 . 1 16 16 DG H2' H 1 2.820 0.004 . 1 . . 1223 . A 16 DG H2' . 34835 1 134 . 1 . 1 16 16 DG H2'' H 1 2.647 0.004 . 1 . . 1222 . A 16 DG H2'' . 34835 1 135 . 1 . 1 16 16 DG H3' H 1 4.943 0.002 . 1 . . 1221 . A 16 DG H3' . 34835 1 136 . 1 . 1 16 16 DG H4' H 1 4.263 0.0 . 1 . . 1380 . A 16 DG H4' . 34835 1 137 . 1 . 1 16 16 DG H8 H 1 7.968 0.002 . 1 . . 1214 . A 16 DG H8 . 34835 1 138 . 1 . 1 16 16 DG C5 C 13 119.167 . . 1 . . 1278 . A 16 DG C5 . 34835 1 139 . 1 . 1 16 16 DG C8 C 13 140.763 . . 1 . . 1249 . A 16 DG C8 . 34835 1 140 . 1 . 1 17 17 DC H1' H 1 5.157 0.002 . 1 . . 1217 . A 17 DC H1' . 34835 1 141 . 1 . 1 17 17 DC H2' H 1 1.232 0.002 . 1 . . 1262 . A 17 DC H2' . 34835 1 142 . 1 . 1 17 17 DC H2'' H 1 2.171 0.001 . 1 . . 1263 . A 17 DC H2'' . 34835 1 143 . 1 . 1 17 17 DC H3' H 1 4.544 0.002 . 1 . . 1319 . A 17 DC H3' . 34835 1 144 . 1 . 1 17 17 DC H5 H 1 5.639 0.003 . 1 . . 1218 . A 17 DC H5 . 34835 1 145 . 1 . 1 17 17 DC H6 H 1 6.958 0.002 . 1 . . 1216 . A 17 DC H6 . 34835 1 146 . 1 . 1 17 17 DC H41 H 1 10.037 . . 1 . . 1528 . A 17 DC H41 . 34835 1 147 . 1 . 1 17 17 DC H42 H 1 8.123 0.003 . 1 . . 1382 . A 17 DC H42 . 34835 1 148 . 1 . 1 17 17 DC C6 C 13 144.127 . . 1 . . 1227 . A 17 DC C6 . 34835 1 149 . 1 . 1 18 18 DA H1' H 1 6.345 0.003 . 1 . . 1181 . A 18 DA H1' . 34835 1 150 . 1 . 1 18 18 DA H2 H 1 7.856 0.002 . 1 . . 1200 . A 18 DA H2 . 34835 1 151 . 1 . 1 18 18 DA H2' H 1 2.425 0.001 . 1 . . 1323 . A 18 DA H2' . 34835 1 152 . 1 . 1 18 18 DA H2'' H 1 2.610 0.003 . 1 . . 1324 . A 18 DA H2'' . 34835 1 153 . 1 . 1 18 18 DA H3' H 1 4.697 0.002 . 1 . . 1325 . A 18 DA H3' . 34835 1 154 . 1 . 1 18 18 DA H8 H 1 7.994 0.001 . 1 . . 1180 . A 18 DA H8 . 34835 1 155 . 1 . 1 18 18 DA C2 C 13 154.774 . . 1 . . 1255 . A 18 DA C2 . 34835 1 156 . 1 . 1 18 18 DA C8 C 13 142.739 . . 1 . . 1247 . A 18 DA C8 . 34835 1 157 . 1 . 1 19 19 DG H1 H 1 11.744 0.003 . 1 . . 1293 . A 19 DG H1 . 34835 1 158 . 1 . 1 19 19 DG H1' H 1 6.124 0.002 . 1 . . 1257 . A 19 DG H1' . 34835 1 159 . 1 . 1 19 19 DG H2' H 1 3.352 0.003 . 1 . . 1334 . A 19 DG H2' . 34835 1 160 . 1 . 1 19 19 DG H2'' H 1 2.939 0.001 . 1 . . 1335 . A 19 DG H2'' . 34835 1 161 . 1 . 1 19 19 DG H3' H 1 4.852 0.002 . 1 . . 1326 . A 19 DG H3' . 34835 1 162 . 1 . 1 19 19 DG H8 H 1 7.396 0.002 . 1 . . 1238 . A 19 DG H8 . 34835 1 163 . 1 . 1 19 19 DG C5 C 13 119.423 0.007 . 1 . . 1283 . A 19 DG C5 . 34835 1 164 . 1 . 1 19 19 DG C8 C 13 142.071 . . 1 . . 1239 . A 19 DG C8 . 34835 1 165 . 1 . 1 20 20 DG H1 H 1 11.266 0.003 . 1 . . 1295 . A 20 DG H1 . 34835 1 166 . 1 . 1 20 20 DG H1' H 1 5.826 0.002 . 1 . . 1258 . A 20 DG H1' . 34835 1 167 . 1 . 1 20 20 DG H2' H 1 2.694 0.004 . 1 . . 1333 . A 20 DG H2' . 34835 1 168 . 1 . 1 20 20 DG H2'' H 1 2.653 0.004 . 1 . . 1332 . A 20 DG H2'' . 34835 1 169 . 1 . 1 20 20 DG H3' H 1 5.002 0.001 . 1 . . 1311 . A 20 DG H3' . 34835 1 170 . 1 . 1 20 20 DG H8 H 1 7.406 0.002 . 1 . . 1236 . A 20 DG H8 . 34835 1 171 . 1 . 1 20 20 DG C5 C 13 119.261 0.003 . 1 . . 1282 . A 20 DG C5 . 34835 1 172 . 1 . 1 20 20 DG C8 C 13 141.155 . . 1 . . 1237 . A 20 DG C8 . 34835 1 173 . 1 . 1 21 21 DG H1 H 1 12.172 0.002 . 1 . . 1289 . A 21 DG H1 . 34835 1 174 . 1 . 1 21 21 DG H1' H 1 6.081 0.004 . 1 . . 1259 . A 21 DG H1' . 34835 1 175 . 1 . 1 21 21 DG H2' H 1 2.564 0.006 . 1 . . 1330 . A 21 DG H2' . 34835 1 176 . 1 . 1 21 21 DG H2'' H 1 2.620 0.003 . 1 . . 1331 . A 21 DG H2'' . 34835 1 177 . 1 . 1 21 21 DG H3' H 1 4.997 0.001 . 1 . . 1316 . A 21 DG H3' . 34835 1 178 . 1 . 1 21 21 DG H8 H 1 8.089 0.002 . 1 . . 1252 . A 21 DG H8 . 34835 1 179 . 1 . 1 21 21 DG C5 C 13 117.483 0.002 . 1 . . 1274 . A 21 DG C5 . 34835 1 180 . 1 . 1 21 21 DG C8 C 13 138.953 . . 1 . . 1253 . A 21 DG C8 . 34835 1 181 . 1 . 1 22 22 DT H1' H 1 5.980 0.003 . 1 . . 1260 . A 22 DT H1' . 34835 1 182 . 1 . 1 22 22 DT H2' H 1 2.175 0.001 . 1 . . 1327 . A 22 DT H2' . 34835 1 183 . 1 . 1 22 22 DT H2'' H 1 2.173 0.0 . 1 . . 1328 . A 22 DT H2'' . 34835 1 184 . 1 . 1 22 22 DT H3' H 1 4.450 0.005 . 1 . . 1329 . A 22 DT H3' . 34835 1 185 . 1 . 1 22 22 DT H6 H 1 7.205 0.002 . 1 . . 1231 . A 22 DT H6 . 34835 1 186 . 1 . 1 22 22 DT H71 H 1 1.673 0.001 . 1 . . 1261 . A 22 DT H71 . 34835 1 187 . 1 . 1 22 22 DT H72 H 1 1.673 0.001 . 1 . . 1261 . A 22 DT H72 . 34835 1 188 . 1 . 1 22 22 DT H73 H 1 1.673 0.001 . 1 . . 1261 . A 22 DT H73 . 34835 1 189 . 1 . 1 22 22 DT C6 C 13 138.719 . . 1 . . 1232 . A 22 DT C6 . 34835 1 stop_ save_