################################### # 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 34740 _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-1H NOESY' . . . 34740 1 2 '2D 1H-1H COSY' . . . 34740 1 3 '2D 1H-13C HSQC' . . . 34740 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 THM H1' H 1 5.623 0.004 . 1 . . 961 . A 1 THM H1' . 34740 1 2 . 1 . 1 1 1 THM H2' H 1 1.954 0.002 . 1 . . 1315 . A 1 THM H2' . 34740 1 3 . 1 . 1 1 1 THM H2'' H 1 2.139 0.003 . 1 . . 1316 . A 1 THM H2'' . 34740 1 4 . 1 . 1 1 1 THM H3' H 1 4.326 0.003 . 1 . . 1378 . A 1 THM H3' . 34740 1 5 . 1 . 1 1 1 THM H6 H 1 7.330 0.002 . 1 . . 1239 . A 1 THM H6 . 34740 1 6 . 1 . 1 1 1 THM H71 H 1 1.551 0.004 . 1 . . 1282 . A 1 THM H71 . 34740 1 7 . 1 . 1 1 1 THM H72 H 1 1.551 0.004 . 1 . . 1282 . A 1 THM H72 . 34740 1 8 . 1 . 1 1 1 THM H73 H 1 1.551 0.004 . 1 . . 1282 . A 1 THM H73 . 34740 1 9 . 1 . 1 1 1 THM C6 C 13 139.428 . . 1 . . 1432 . A 1 THM C6 . 34740 1 10 . 1 . 1 2 2 DT H1' H 1 5.628 0.007 . 1 . . 1232 . A 2 DT H1' . 34740 1 11 . 1 . 1 2 2 DT H2' H 1 1.579 0.003 . 1 . . 1236 . A 2 DT H2' . 34740 1 12 . 1 . 1 2 2 DT H2'' H 1 2.012 0.005 . 1 . . 1235 . A 2 DT H2'' . 34740 1 13 . 1 . 1 2 2 DT H3' H 1 4.439 0.001 . 1 . . 1380 . A 2 DT H3' . 34740 1 14 . 1 . 1 2 2 DT H6 H 1 7.107 0.002 . 1 . . 1237 . A 2 DT H6 . 34740 1 15 . 1 . 1 2 2 DT H71 H 1 1.443 0.003 . 1 . . 1238 . A 2 DT H71 . 34740 1 16 . 1 . 1 2 2 DT H72 H 1 1.443 0.003 . 1 . . 1238 . A 2 DT H72 . 34740 1 17 . 1 . 1 2 2 DT H73 H 1 1.443 0.003 . 1 . . 1238 . A 2 DT H73 . 34740 1 18 . 1 . 1 2 2 DT C6 C 13 139.351 . . 1 . . 1429 . A 2 DT C6 . 34740 1 19 . 1 . 1 3 3 DA H1' H 1 5.677 0.006 . 1 . . 1231 . A 3 DA H1' . 34740 1 20 . 1 . 1 3 3 DA H2 H 1 7.795 0.003 . 1 . . 1376 . A 3 DA H2 . 34740 1 21 . 1 . 1 3 3 DA H2' H 1 2.537 0.003 . 1 . . 1233 . A 3 DA H2' . 34740 1 22 . 1 . 1 3 3 DA H2'' H 1 2.579 0.004 . 1 . . 1234 . A 3 DA H2'' . 34740 1 23 . 1 . 1 3 3 DA H3' H 1 4.773 0.004 . 1 . . 1379 . A 3 DA H3' . 34740 1 24 . 1 . 1 3 3 DA H8 H 1 7.956 0.002 . 1 . . 1229 . A 3 DA H8 . 34740 1 25 . 1 . 1 3 3 DA C8 C 13 142.541 . . 1 . . 1414 . A 3 DA C8 . 34740 1 26 . 1 . 1 4 4 DG H1 H 1 11.240 0.003 . 1 . . 1202 . A 4 DG H1 . 34740 1 27 . 1 . 1 4 4 DG H1' H 1 5.988 0.004 . 1 . . 1240 . A 4 DG H1' . 34740 1 28 . 1 . 1 4 4 DG H2' H 1 2.488 0.01 . 1 . . 1319 . A 4 DG H2' . 34740 1 29 . 1 . 1 4 4 DG H2'' H 1 2.869 0.005 . 1 . . 1318 . A 4 DG H2'' . 34740 1 30 . 1 . 1 4 4 DG H3' H 1 4.875 0.002 . 1 . . 1383 . A 4 DG H3' . 34740 1 31 . 1 . 1 4 4 DG H8 H 1 7.847 0.002 . 1 . . 1226 . A 4 DG H8 . 34740 1 32 . 1 . 1 4 4 DG C8 C 13 137.874 . . 1 . . 1436 . A 4 DG C8 . 34740 1 33 . 1 . 1 5 5 DG H1 H 1 11.158 0.001 . 1 . . 1203 . A 5 DG H1 . 34740 1 34 . 1 . 1 5 5 DG H1' H 1 5.982 0.004 . 1 . . 1268 . A 5 DG H1' . 34740 1 35 . 1 . 1 5 5 DG H2' H 1 2.451 0.002 . 1 . . 1275 . A 5 DG H2' . 34740 1 36 . 1 . 1 5 5 DG H2'' H 1 2.365 0.005 . 1 . . 1276 . A 5 DG H2'' . 34740 1 37 . 1 . 1 5 5 DG H3' H 1 4.966 0.003 . 1 . . 1381 . A 5 DG H3' . 34740 1 38 . 1 . 1 5 5 DG H8 H 1 7.355 0.002 . 1 . . 1223 . A 5 DG H8 . 34740 1 39 . 1 . 1 5 5 DG C8 C 13 137.601 . . 1 . . 1433 . A 5 DG C8 . 34740 1 40 . 1 . 1 6 6 DT H1' H 1 6.395 0.003 . 1 . . 1332 . A 6 DT H1' . 34740 1 41 . 1 . 1 6 6 DT H2' H 1 2.404 0.003 . 1 . . 1337 . A 6 DT H2' . 34740 1 42 . 1 . 1 6 6 DT H2'' H 1 2.607 0.001 . 1 . . 1338 . A 6 DT H2'' . 34740 1 43 . 1 . 1 6 6 DT H3' H 1 4.977 0.001 . 1 . . 1384 . A 6 DT H3' . 34740 1 44 . 1 . 1 6 6 DT H6 H 1 7.808 0.001 . 1 . . 1331 . A 6 DT H6 . 34740 1 45 . 1 . 1 6 6 DT H71 H 1 1.942 0.0 . 1 . . 1335 . A 6 DT H71 . 34740 1 46 . 1 . 1 6 6 DT H72 H 1 1.942 0.0 . 1 . . 1335 . A 6 DT H72 . 34740 1 47 . 1 . 1 6 6 DT H73 H 1 1.942 0.0 . 1 . . 1335 . A 6 DT H73 . 34740 1 48 . 1 . 1 6 6 DT C6 C 13 140.208 . . 1 . . 1417 . A 6 DT C6 . 34740 1 49 . 1 . 1 7 7 DG H1 H 1 11.502 0.001 . 1 . . 1199 . A 7 DG H1 . 34740 1 50 . 1 . 1 7 7 DG H1' H 1 6.010 0.003 . 1 . . 1201 . A 7 DG H1' . 34740 1 51 . 1 . 1 7 7 DG H2' H 1 2.619 0.005 . 1 . . 1214 . A 7 DG H2' . 34740 1 52 . 1 . 1 7 7 DG H2'' H 1 2.828 0.003 . 1 . . 1213 . A 7 DG H2'' . 34740 1 53 . 1 . 1 7 7 DG H3' H 1 4.856 0.001 . 1 . . 1210 . A 7 DG H3' . 34740 1 54 . 1 . 1 7 7 DG H8 H 1 8.091 0.002 . 1 . . 1200 . A 7 DG H8 . 34740 1 55 . 1 . 1 7 7 DG C8 C 13 138.524 . . 1 . . 1415 . A 7 DG C8 . 34740 1 56 . 1 . 1 8 8 DG H1 H 1 11.100 0.003 . 1 . . 1206 . A 8 DG H1 . 34740 1 57 . 1 . 1 8 8 DG H1' H 1 6.052 0.003 . 1 . . 1211 . A 8 DG H1' . 34740 1 58 . 1 . 1 8 8 DG H2' H 1 2.590 0.01 . 1 . . 1342 . A 8 DG H2' . 34740 1 59 . 1 . 1 8 8 DG H2'' H 1 2.842 0.009 . 1 . . 1341 . A 8 DG H2'' . 34740 1 60 . 1 . 1 8 8 DG H3' H 1 5.008 0.002 . 1 . . 1212 . A 8 DG H3' . 34740 1 61 . 1 . 1 8 8 DG H8 H 1 7.718 0.002 . 1 . . 1204 . A 8 DG H8 . 34740 1 62 . 1 . 1 8 8 DG C8 C 13 138.041 . . 1 . . 1441 . A 8 DG C8 . 34740 1 63 . 1 . 1 9 9 DG H1 H 1 10.741 0.002 . 1 . . 1245 . A 9 DG H1 . 34740 1 64 . 1 . 1 9 9 DG H1' H 1 6.105 0.003 . 1 . . 1357 . A 9 DG H1' . 34740 1 65 . 1 . 1 9 9 DG H2' H 1 2.823 0.004 . 1 . . 1359 . A 9 DG H2' . 34740 1 66 . 1 . 1 9 9 DG H2'' H 1 2.787 0.007 . 1 . . 1358 . A 9 DG H2'' . 34740 1 67 . 1 . 1 9 9 DG H3' H 1 5.100 0.001 . 1 . . 1386 . A 9 DG H3' . 34740 1 68 . 1 . 1 9 9 DG H8 H 1 7.680 0.001 . 1 . . 1377 . A 9 DG H8 . 34740 1 69 . 1 . 1 9 9 DG C8 C 13 137.768 . . 1 . . 1440 . A 9 DG C8 . 34740 1 70 . 1 . 1 10 10 DT H1' H 1 6.268 0.002 . 1 . . 1325 . A 10 DT H1' . 34740 1 71 . 1 . 1 10 10 DT H2' H 1 2.273 0.003 . 1 . . 1323 . A 10 DT H2' . 34740 1 72 . 1 . 1 10 10 DT H2'' H 1 2.478 0.004 . 1 . . 1324 . A 10 DT H2'' . 34740 1 73 . 1 . 1 10 10 DT H3' H 1 4.765 0.001 . 1 . . 1344 . A 10 DT H3' . 34740 1 74 . 1 . 1 10 10 DT H6 H 1 7.703 0.005 . 1 . . 1326 . A 10 DT H6 . 34740 1 75 . 1 . 1 10 10 DT H71 H 1 1.976 . . 1 . . 1322 . A 10 DT H71 . 34740 1 76 . 1 . 1 10 10 DT H72 H 1 1.976 . . 1 . . 1322 . A 10 DT H72 . 34740 1 77 . 1 . 1 10 10 DT H73 H 1 1.976 . . 1 . . 1322 . A 10 DT H73 . 34740 1 78 . 1 . 1 10 10 DT C6 C 13 140.171 . . 1 . . 1418 . A 10 DT C6 . 34740 1 79 . 1 . 1 11 11 DA H1' H 1 6.617 0.005 . 1 . . 1196 . A 11 DA H1' . 34740 1 80 . 1 . 1 11 11 DA H2 H 1 8.371 0.005 . 1 . . 1445 . A 11 DA H2 . 34740 1 81 . 1 . 1 11 11 DA H2' H 1 2.985 0.001 . 1 . . 1321 . A 11 DA H2' . 34740 1 82 . 1 . 1 11 11 DA H2'' H 1 2.897 0.003 . 1 . . 1320 . A 11 DA H2'' . 34740 1 83 . 1 . 1 11 11 DA H3' H 1 5.070 0.002 . 1 . . 1243 . A 11 DA H3' . 34740 1 84 . 1 . 1 11 11 DA H8 H 1 8.559 0.004 . 1 . . 1195 . A 11 DA H8 . 34740 1 85 . 1 . 1 11 11 DA C2 C 13 154.373 . . 1 . . 1446 . A 11 DA C2 . 34740 1 86 . 1 . 1 11 11 DA C8 C 13 143.504 . . 1 . . 1410 . A 11 DA C8 . 34740 1 87 . 1 . 1 12 12 DG H1 H 1 11.658 0.005 . 1 . . 1208 . A 12 DG H1 . 34740 1 88 . 1 . 1 12 12 DG H1' H 1 6.049 0.003 . 1 . . 1218 . A 12 DG H1' . 34740 1 89 . 1 . 1 12 12 DG H2' H 1 2.549 0.003 . 1 . . 1327 . A 12 DG H2' . 34740 1 90 . 1 . 1 12 12 DG H2'' H 1 2.854 0.002 . 1 . . 1328 . A 12 DG H2'' . 34740 1 91 . 1 . 1 12 12 DG H3' H 1 4.901 0.004 . 1 . . 1242 . A 12 DG H3' . 34740 1 92 . 1 . 1 12 12 DG H8 H 1 7.924 0.001 . 1 . . 1198 . A 12 DG H8 . 34740 1 93 . 1 . 1 12 12 DG C8 C 13 138.269 . . 1 . . 1435 . A 12 DG C8 . 34740 1 94 . 1 . 1 13 13 DG H1 H 1 11.079 0.002 . 1 . . 1209 . A 13 DG H1 . 34740 1 95 . 1 . 1 13 13 DG H1' H 1 6.121 0.004 . 1 . . 1221 . A 13 DG H1' . 34740 1 96 . 1 . 1 13 13 DG H2' H 1 2.546 0.004 . 1 . . 2502 . A 13 DG H2' . 34740 1 97 . 1 . 1 13 13 DG H2'' H 1 2.910 0.004 . 1 . . 1330 . A 13 DG H2'' . 34740 1 98 . 1 . 1 13 13 DG H3' H 1 4.998 0.002 . 1 . . 1387 . A 13 DG H3' . 34740 1 99 . 1 . 1 13 13 DG H8 H 1 7.662 0.003 . 1 . . 1219 . A 13 DG H8 . 34740 1 100 . 1 . 1 13 13 DG C8 C 13 138.011 . . 1 . . 2506 . A 13 DG C8 . 34740 1 101 . 1 . 1 14 14 DG H1 H 1 10.459 0.002 . 1 . . 1246 . A 14 DG H1 . 34740 1 102 . 1 . 1 14 14 DG H1' H 1 6.101 0.002 . 1 . . 2501 . A 14 DG H1' . 34740 1 103 . 1 . 1 14 14 DG H2' H 1 2.815 0.004 . 1 . . 2500 . A 14 DG H2' . 34740 1 104 . 1 . 1 14 14 DG H2'' H 1 2.758 0.004 . 1 . . 2499 . A 14 DG H2'' . 34740 1 105 . 1 . 1 14 14 DG H3' H 1 5.215 0.001 . 1 . . 2498 . A 14 DG H3' . 34740 1 106 . 1 . 1 14 14 DG H8 H 1 7.668 0.003 . 1 . . 1217 . A 14 DG H8 . 34740 1 107 . 1 . 1 14 14 DG C8 C 13 138.006 . . 1 . . 2505 . A 14 DG C8 . 34740 1 108 . 1 . 1 15 15 DT H1' H 1 6.478 0.002 . 1 . . 1334 . A 15 DT H1' . 34740 1 109 . 1 . 1 15 15 DT H2' H 1 2.471 0.003 . 1 . . 1339 . A 15 DT H2' . 34740 1 110 . 1 . 1 15 15 DT H2'' H 1 2.638 0.002 . 1 . . 1340 . A 15 DT H2'' . 34740 1 111 . 1 . 1 15 15 DT H3' H 1 5.034 0.002 . 1 . . 1385 . A 15 DT H3' . 34740 1 112 . 1 . 1 15 15 DT H6 H 1 7.843 0.001 . 1 . . 1333 . A 15 DT H6 . 34740 1 113 . 1 . 1 15 15 DT H71 H 1 1.998 0.001 . 1 . . 1336 . A 15 DT H71 . 34740 1 114 . 1 . 1 15 15 DT H72 H 1 1.998 0.001 . 1 . . 1336 . A 15 DT H72 . 34740 1 115 . 1 . 1 15 15 DT H73 H 1 1.998 0.001 . 1 . . 1336 . A 15 DT H73 . 34740 1 116 . 1 . 1 15 15 DT C6 C 13 139.937 . . 1 . . 1416 . A 15 DT C6 . 34740 1 117 . 1 . 1 16 16 DG H1 H 1 11.083 0.003 . 1 . . 1230 . A 16 DG H1 . 34740 1 118 . 1 . 1 16 16 DG H1' H 1 5.953 0.004 . 1 . . 1244 . A 16 DG H1' . 34740 1 119 . 1 . 1 16 16 DG H2' H 1 2.322 0.004 . 1 . . 2495 . A 16 DG H2' . 34740 1 120 . 1 . 1 16 16 DG H2'' H 1 2.729 0.004 . 1 . . 1350 . A 16 DG H2'' . 34740 1 121 . 1 . 1 16 16 DG H3' H 1 4.959 0.004 . 1 . . 1389 . A 16 DG H3' . 34740 1 122 . 1 . 1 16 16 DG H8 H 1 7.786 0.002 . 1 . . 1207 . A 16 DG H8 . 34740 1 123 . 1 . 1 16 16 DG C8 C 13 137.803 . . 1 . . 1438 . A 16 DG C8 . 34740 1 124 . 1 . 1 17 17 DG H1 H 1 11.000 0.003 . 1 . . 1225 . A 17 DG H1 . 34740 1 125 . 1 . 1 17 17 DG H1' H 1 5.963 0.002 . 1 . . 1249 . A 17 DG H1' . 34740 1 126 . 1 . 1 17 17 DG H2' H 1 2.566 0.003 . 1 . . 1355 . A 17 DG H2' . 34740 1 127 . 1 . 1 17 17 DG H2'' H 1 2.848 0.001 . 1 . . 2504 . A 17 DG H2'' . 34740 1 128 . 1 . 1 17 17 DG H3' H 1 5.055 0.001 . 1 . . 1390 . A 17 DG H3' . 34740 1 129 . 1 . 1 17 17 DG H8 H 1 7.656 0.001 . 1 . . 1247 . A 17 DG H8 . 34740 1 130 . 1 . 1 17 17 DG C8 C 13 138.023 0.018 . 1 . . 2471 . A 17 DG C8 . 34740 1 131 . 1 . 1 18 18 DG H1 H 1 10.406 0.001 . 1 . . 1266 . A 18 DG H1 . 34740 1 132 . 1 . 1 18 18 DG H1' H 1 5.936 0.002 . 1 . . 2497 . A 18 DG H1' . 34740 1 133 . 1 . 1 18 18 DG H2' H 1 2.850 0.001 . 1 . . 1353 . A 18 DG H2' . 34740 1 134 . 1 . 1 18 18 DG H2'' H 1 2.796 0.003 . 1 . . 1352 . A 18 DG H2'' . 34740 1 135 . 1 . 1 18 18 DG H3' H 1 5.191 0.002 . 1 . . 2496 . A 18 DG H3' . 34740 1 136 . 1 . 1 18 18 DG H8 H 1 7.772 0.002 . 1 . . 1248 . A 18 DG H8 . 34740 1 137 . 1 . 1 18 18 DG C8 C 13 138.128 0.015 . 1 . . 2503 . A 18 DG C8 . 34740 1 138 . 1 . 1 19 19 DC H1' H 1 5.709 0.004 . 1 . . 1191 . A 19 DC H1' . 34740 1 139 . 1 . 1 19 19 DC H2' H 1 2.203 0.003 . 1 . . 1452 . A 19 DC H2' . 34740 1 140 . 1 . 1 19 19 DC H2'' H 1 2.247 0.003 . 1 . . 1453 . A 19 DC H2'' . 34740 1 141 . 1 . 1 19 19 DC H3' H 1 4.798 0.002 . 1 . . 1392 . A 19 DC H3' . 34740 1 142 . 1 . 1 19 19 DC H5 H 1 5.582 0.002 . 1 . . 1178 . A 19 DC H5 . 34740 1 143 . 1 . 1 19 19 DC H6 H 1 7.618 0.001 . 1 . . 1177 . A 19 DC H6 . 34740 1 144 . 1 . 1 19 19 DC H41 H 1 6.493 0.003 . 1 . . 1360 . A 19 DC H41 . 34740 1 145 . 1 . 1 19 19 DC H42 H 1 7.289 0.002 . 1 . . 1366 . A 19 DC H42 . 34740 1 146 . 1 . 1 19 19 DC C6 C 13 143.242 . . 1 . . 1419 . A 19 DC C6 . 34740 1 147 . 1 . 1 20 20 DT H1' H 1 5.312 0.004 . 1 . . 1188 . A 20 DT H1' . 34740 1 148 . 1 . 1 20 20 DT H2' H 1 2.026 0.002 . 1 . . 1284 . A 20 DT H2' . 34740 1 149 . 1 . 1 20 20 DT H2'' H 1 2.254 0.001 . 1 . . 1285 . A 20 DT H2'' . 34740 1 150 . 1 . 1 20 20 DT H3 H 1 13.252 0.003 . 1 . . 1375 . A 20 DT H3 . 34740 1 151 . 1 . 1 20 20 DT H3' H 1 4.798 0.001 . 1 . . 1393 . A 20 DT H3' . 34740 1 152 . 1 . 1 20 20 DT H6 H 1 7.214 0.002 . 1 . . 1189 . A 20 DT H6 . 34740 1 153 . 1 . 1 20 20 DT H71 H 1 1.524 0.002 . 1 . . 1190 . A 20 DT H71 . 34740 1 154 . 1 . 1 20 20 DT H72 H 1 1.524 0.002 . 1 . . 1190 . A 20 DT H72 . 34740 1 155 . 1 . 1 20 20 DT H73 H 1 1.524 0.002 . 1 . . 1190 . A 20 DT H73 . 34740 1 156 . 1 . 1 20 20 DT C6 C 13 139.458 . . 1 . . 1431 . A 20 DT C6 . 34740 1 157 . 1 . 1 21 21 DA H1' H 1 5.942 0.004 . 1 . . 1187 . A 21 DA H1' . 34740 1 158 . 1 . 1 21 21 DA H2 H 1 7.139 0.002 . 1 . . 1372 . A 21 DA H2 . 34740 1 159 . 1 . 1 21 21 DA H2' H 1 2.739 0.004 . 1 . . 1286 . A 21 DA H2' . 34740 1 160 . 1 . 1 21 21 DA H2'' H 1 2.822 0.005 . 1 . . 1287 . A 21 DA H2'' . 34740 1 161 . 1 . 1 21 21 DA H3' H 1 4.977 0.001 . 1 . . 1394 . A 21 DA H3' . 34740 1 162 . 1 . 1 21 21 DA H8 H 1 8.159 0.002 . 1 . . 1186 . A 21 DA H8 . 34740 1 163 . 1 . 1 21 21 DA C2 C 13 153.841 . . 1 . . 1448 . A 21 DA C2 . 34740 1 164 . 1 . 1 21 21 DA C8 C 13 141.809 . . 1 . . 1411 . A 21 DA C8 . 34740 1 165 . 1 . 1 22 22 DG H1 H 1 12.938 0.004 . 1 . . 1368 . A 22 DG H1 . 34740 1 166 . 1 . 1 22 22 DG H1' H 1 5.694 0.004 . 1 . . 1194 . A 22 DG H1' . 34740 1 167 . 1 . 1 22 22 DG H2' H 1 2.361 0.004 . 1 . . 1293 . A 22 DG H2' . 34740 1 168 . 1 . 1 22 22 DG H2'' H 1 2.581 0.002 . 1 . . 1399 . A 22 DG H2'' . 34740 1 169 . 1 . 1 22 22 DG H3' H 1 4.750 0.001 . 1 . . 1397 . A 22 DG H3' . 34740 1 170 . 1 . 1 22 22 DG H8 H 1 7.495 0.001 . 1 . . 1398 . A 22 DG H8 . 34740 1 171 . 1 . 1 22 22 DG C8 C 13 137.115 . . 1 . . 1434 . A 22 DG C8 . 34740 1 172 . 1 . 1 23 23 DT H1' H 1 5.826 0.003 . 1 . . 1193 . A 23 DT H1' . 34740 1 173 . 1 . 1 23 23 DT H2' H 1 1.906 0.002 . 1 . . 1292 . A 23 DT H2' . 34740 1 174 . 1 . 1 23 23 DT H2'' H 1 2.312 0.002 . 1 . . 1291 . A 23 DT H2'' . 34740 1 175 . 1 . 1 23 23 DT H3 H 1 13.524 0.002 . 1 . . 1371 . A 23 DT H3 . 34740 1 176 . 1 . 1 23 23 DT H3' H 1 4.695 0.0 . 1 . . 1396 . A 23 DT H3' . 34740 1 177 . 1 . 1 23 23 DT H6 H 1 7.091 0.002 . 1 . . 1176 . A 23 DT H6 . 34740 1 178 . 1 . 1 23 23 DT H71 H 1 1.186 0.003 . 1 . . 1289 . A 23 DT H71 . 34740 1 179 . 1 . 1 23 23 DT H72 H 1 1.186 0.003 . 1 . . 1289 . A 23 DT H72 . 34740 1 180 . 1 . 1 23 23 DT H73 H 1 1.186 0.003 . 1 . . 1289 . A 23 DT H73 . 34740 1 181 . 1 . 1 23 23 DT C6 C 13 139.041 . . 1 . . 1430 . A 23 DT C6 . 34740 1 182 . 1 . 1 24 24 DC H1' H 1 5.576 0.005 . 1 . . 1179 . A 24 DC H1' . 34740 1 183 . 1 . 1 24 24 DC H2' H 1 1.707 0.002 . 1 . . 1288 . A 24 DC H2' . 34740 1 184 . 1 . 1 24 24 DC H2'' H 1 2.176 0.002 . 1 . . 1290 . A 24 DC H2'' . 34740 1 185 . 1 . 1 24 24 DC H3' H 1 4.697 0.003 . 1 . . 1395 . A 24 DC H3' . 34740 1 186 . 1 . 1 24 24 DC H5 H 1 5.565 0.002 . 1 . . 1175 . A 24 DC H5 . 34740 1 187 . 1 . 1 24 24 DC H6 H 1 7.284 0.003 . 1 . . 1174 . A 24 DC H6 . 34740 1 188 . 1 . 1 24 24 DC H41 H 1 6.889 0.002 . 1 . . 1364 . A 24 DC H41 . 34740 1 189 . 1 . 1 24 24 DC H42 H 1 8.454 0.001 . 1 . . 1365 . A 24 DC H42 . 34740 1 190 . 1 . 1 24 24 DC C6 C 13 143.552 . . 1 . . 1420 . A 24 DC C6 . 34740 1 191 . 1 . 1 25 25 DA H1' H 1 6.140 0.002 . 1 . . 1181 . A 25 DA H1' . 34740 1 192 . 1 . 1 25 25 DA H2 H 1 7.862 0.001 . 1 . . 1451 . A 25 DA H2 . 34740 1 193 . 1 . 1 25 25 DA H2' H 1 2.665 0.001 . 1 . . 1295 . A 25 DA H2' . 34740 1 194 . 1 . 1 25 25 DA H2'' H 1 2.507 0.002 . 1 . . 1294 . A 25 DA H2'' . 34740 1 195 . 1 . 1 25 25 DA H3' H 1 4.927 0.003 . 1 . . 1400 . A 25 DA H3' . 34740 1 196 . 1 . 1 25 25 DA H8 H 1 8.131 0.002 . 1 . . 1180 . A 25 DA H8 . 34740 1 197 . 1 . 1 25 25 DA C2 C 13 154.893 . . 1 . . 1450 . A 25 DA C2 . 34740 1 198 . 1 . 1 25 25 DA C8 C 13 142.205 . . 1 . . 1412 . A 25 DA C8 . 34740 1 199 . 1 . 1 26 26 DT H1' H 1 5.986 0.003 . 1 . . 1183 . A 26 DT H1' . 34740 1 200 . 1 . 1 26 26 DT H2' H 1 2.033 0.003 . 1 . . 1280 . A 26 DT H2' . 34740 1 201 . 1 . 1 26 26 DT H2'' H 1 2.292 0.002 . 1 . . 1296 . A 26 DT H2'' . 34740 1 202 . 1 . 1 26 26 DT H3' H 1 4.967 0.002 . 1 . . 1401 . A 26 DT H3' . 34740 1 203 . 1 . 1 26 26 DT H6 H 1 7.494 0.002 . 1 . . 1182 . A 26 DT H6 . 34740 1 204 . 1 . 1 26 26 DT H71 H 1 1.738 0.002 . 1 . . 1279 . A 26 DT H71 . 34740 1 205 . 1 . 1 26 26 DT H72 H 1 1.738 0.002 . 1 . . 1279 . A 26 DT H72 . 34740 1 206 . 1 . 1 26 26 DT H73 H 1 1.738 0.002 . 1 . . 1279 . A 26 DT H73 . 34740 1 207 . 1 . 1 26 26 DT C6 C 13 139.358 . . 1 . . 1421 . A 26 DT C6 . 34740 1 208 . 1 . 1 27 27 DT H1' H 1 5.712 0.003 . 1 . . 1185 . A 27 DT H1' . 34740 1 209 . 1 . 1 27 27 DT H2' H 1 1.913 0.004 . 1 . . 1281 . A 27 DT H2' . 34740 1 210 . 1 . 1 27 27 DT H2'' H 1 2.165 0.001 . 1 . . 1297 . A 27 DT H2'' . 34740 1 211 . 1 . 1 27 27 DT H3' H 1 4.577 0.002 . 1 . . 1405 . A 27 DT H3' . 34740 1 212 . 1 . 1 27 27 DT H6 H 1 7.307 0.002 . 1 . . 1184 . A 27 DT H6 . 34740 1 213 . 1 . 1 27 27 DT H71 H 1 1.568 0.002 . 1 . . 1278 . A 27 DT H71 . 34740 1 214 . 1 . 1 27 27 DT H72 H 1 1.568 0.002 . 1 . . 1278 . A 27 DT H72 . 34740 1 215 . 1 . 1 27 27 DT H73 H 1 1.568 0.002 . 1 . . 1278 . A 27 DT H73 . 34740 1 216 . 1 . 1 27 27 DT C6 C 13 139.416 . . 1 . . 1424 . A 27 DT C6 . 34740 1 217 . 1 . 1 28 28 DT H1' H 1 5.945 0.003 . 1 . . 1257 . A 28 DT H1' . 34740 1 218 . 1 . 1 28 28 DT H2' H 1 2.135 0.002 . 1 . . 1298 . A 28 DT H2' . 34740 1 219 . 1 . 1 28 28 DT H2'' H 1 2.346 0.002 . 1 . . 1299 . A 28 DT H2'' . 34740 1 220 . 1 . 1 28 28 DT H3' H 1 4.671 . . 1 . . 1402 . A 28 DT H3' . 34740 1 221 . 1 . 1 28 28 DT H6 H 1 7.372 0.001 . 1 . . 1258 . A 28 DT H6 . 34740 1 222 . 1 . 1 28 28 DT H71 H 1 1.592 0.001 . 1 . . 1277 . A 28 DT H71 . 34740 1 223 . 1 . 1 28 28 DT H72 H 1 1.592 0.001 . 1 . . 1277 . A 28 DT H72 . 34740 1 224 . 1 . 1 28 28 DT H73 H 1 1.592 0.001 . 1 . . 1277 . A 28 DT H73 . 34740 1 225 . 1 . 1 28 28 DT C6 C 13 139.565 . . 1 . . 1422 . A 28 DT C6 . 34740 1 226 . 1 . 1 29 29 DT H1' H 1 5.699 0.004 . 1 . . 1255 . A 29 DT H1' . 34740 1 227 . 1 . 1 29 29 DT H2' H 1 2.051 0.005 . 1 . . 1300 . A 29 DT H2' . 34740 1 228 . 1 . 1 29 29 DT H2'' H 1 2.365 0.004 . 1 . . 1301 . A 29 DT H2'' . 34740 1 229 . 1 . 1 29 29 DT H3' H 1 4.657 0.004 . 1 . . 1403 . A 29 DT H3' . 34740 1 230 . 1 . 1 29 29 DT H6 H 1 7.333 0.001 . 1 . . 1256 . A 29 DT H6 . 34740 1 231 . 1 . 1 29 29 DT H71 H 1 1.771 0.002 . 1 . . 1283 . A 29 DT H71 . 34740 1 232 . 1 . 1 29 29 DT H72 H 1 1.771 0.002 . 1 . . 1283 . A 29 DT H72 . 34740 1 233 . 1 . 1 29 29 DT H73 H 1 1.771 0.002 . 1 . . 1283 . A 29 DT H73 . 34740 1 234 . 1 . 1 29 29 DT C6 C 13 139.479 . . 1 . . 1423 . A 29 DT C6 . 34740 1 235 . 1 . 1 30 30 DG H1 H 1 12.553 0.007 . 1 . . 1369 . A 30 DG H1 . 34740 1 236 . 1 . 1 30 30 DG H1' H 1 5.504 0.001 . 1 . . 1253 . A 30 DG H1' . 34740 1 237 . 1 . 1 30 30 DG H2' H 1 2.614 0.006 . 1 . . 1302 . A 30 DG H2' . 34740 1 238 . 1 . 1 30 30 DG H2'' H 1 2.701 0.002 . 1 . . 1303 . A 30 DG H2'' . 34740 1 239 . 1 . 1 30 30 DG H3' H 1 4.909 0.001 . 1 . . 1406 . A 30 DG H3' . 34740 1 240 . 1 . 1 30 30 DG H8 H 1 7.871 0.001 . 1 . . 1254 . A 30 DG H8 . 34740 1 241 . 1 . 1 30 30 DG C8 C 13 138.374 . . 1 . . 1443 . A 30 DG C8 . 34740 1 242 . 1 . 1 31 31 DA H1' H 1 6.145 0.003 . 1 . . 1251 . A 31 DA H1' . 34740 1 243 . 1 . 1 31 31 DA H2 H 1 7.722 0.002 . 1 . . 1370 . A 31 DA H2 . 34740 1 244 . 1 . 1 31 31 DA H2' H 1 2.591 0.003 . 1 . . 1305 . A 31 DA H2' . 34740 1 245 . 1 . 1 31 31 DA H2'' H 1 2.774 0.002 . 1 . . 1304 . A 31 DA H2'' . 34740 1 246 . 1 . 1 31 31 DA H3' H 1 4.925 0.001 . 1 . . 1409 . A 31 DA H3' . 34740 1 247 . 1 . 1 31 31 DA H8 H 1 8.119 0.003 . 1 . . 1252 . A 31 DA H8 . 34740 1 248 . 1 . 1 31 31 DA C2 C 13 155.026 . . 1 . . 1447 . A 31 DA C2 . 34740 1 249 . 1 . 1 31 31 DA C8 C 13 142.161 . . 1 . . 1413 . A 31 DA C8 . 34740 1 250 . 1 . 1 32 32 DC H1' H 1 5.616 0.003 . 1 . . 1261 . A 32 DC H1' . 34740 1 251 . 1 . 1 32 32 DC H2' H 1 1.675 0.005 . 1 . . 1306 . A 32 DC H2' . 34740 1 252 . 1 . 1 32 32 DC H2'' H 1 2.176 0.003 . 1 . . 1307 . A 32 DC H2'' . 34740 1 253 . 1 . 1 32 32 DC H3' H 1 4.520 0.002 . 1 . . 1408 . A 32 DC H3' . 34740 1 254 . 1 . 1 32 32 DC H5 H 1 5.052 0.003 . 1 . . 1173 . A 32 DC H5 . 34740 1 255 . 1 . 1 32 32 DC H6 H 1 7.093 0.002 . 1 . . 1172 . A 32 DC H6 . 34740 1 256 . 1 . 1 32 32 DC H41 H 1 6.455 0.003 . 1 . . 1363 . A 32 DC H41 . 34740 1 257 . 1 . 1 32 32 DC H42 H 1 7.869 0.006 . 1 . . 1367 . A 32 DC H42 . 34740 1 258 . 1 . 1 32 32 DC C6 C 13 141.831 . . 1 . . 1428 . A 32 DC C6 . 34740 1 259 . 1 . 1 33 33 DT H1' H 1 5.093 0.003 . 1 . . 1260 . A 33 DT H1' . 34740 1 260 . 1 . 1 33 33 DT H2' H 1 1.662 0.003 . 1 . . 1309 . A 33 DT H2' . 34740 1 261 . 1 . 1 33 33 DT H2'' H 1 1.831 0.002 . 1 . . 1310 . A 33 DT H2'' . 34740 1 262 . 1 . 1 33 33 DT H3 H 1 13.456 0.002 . 1 . . 1374 . A 33 DT H3 . 34740 1 263 . 1 . 1 33 33 DT H3' H 1 4.494 0.008 . 1 . . 1407 . A 33 DT H3' . 34740 1 264 . 1 . 1 33 33 DT H6 H 1 7.007 0.003 . 1 . . 1259 . A 33 DT H6 . 34740 1 265 . 1 . 1 33 33 DT H71 H 1 1.279 0.006 . 1 . . 1308 . A 33 DT H71 . 34740 1 266 . 1 . 1 33 33 DT H72 H 1 1.279 0.006 . 1 . . 1308 . A 33 DT H72 . 34740 1 267 . 1 . 1 33 33 DT H73 H 1 1.279 0.006 . 1 . . 1308 . A 33 DT H73 . 34740 1 268 . 1 . 1 33 33 DT C6 C 13 139.446 . . 1 . . 1427 . A 33 DT C6 . 34740 1 269 . 1 . 1 34 34 DA H1' H 1 5.585 0.001 . 1 . . 1263 . A 34 DA H1' . 34740 1 270 . 1 . 1 34 34 DA H2 H 1 7.220 0.001 . 1 . . 1373 . A 34 DA H2 . 34740 1 271 . 1 . 1 34 34 DA H2' H 1 2.097 0.005 . 1 . . 1311 . A 34 DA H2' . 34740 1 272 . 1 . 1 34 34 DA H2'' H 1 2.297 0.002 . 1 . . 1312 . A 34 DA H2'' . 34740 1 273 . 1 . 1 34 34 DA H3' H 1 4.692 . . 1 . . 1272 . A 34 DA H3' . 34740 1 274 . 1 . 1 34 34 DA H8 H 1 7.514 0.002 . 1 . . 1262 . A 34 DA H8 . 34740 1 275 . 1 . 1 34 34 DA C2 C 13 153.926 . . 1 . . 1449 . A 34 DA C2 . 34740 1 276 . 1 . 1 34 34 DA C8 C 13 141.369 . . 1 . . 1444 . A 34 DA C8 . 34740 1 277 . 1 . 1 35 35 DG H1 H 1 10.937 . . 1 . . 2493 . A 35 DG H1 . 34740 1 278 . 1 . 1 35 35 DG H1' H 1 5.331 0.002 . 1 . . 1265 . A 35 DG H1' . 34740 1 279 . 1 . 1 35 35 DG H2' H 1 2.444 0.003 . 1 . . 1313 . A 35 DG H2' . 34740 1 280 . 1 . 1 35 35 DG H2'' H 1 2.795 0.001 . 1 . . 1314 . A 35 DG H2'' . 34740 1 281 . 1 . 1 35 35 DG H3' H 1 4.987 0.003 . 1 . . 1271 . A 35 DG H3' . 34740 1 282 . 1 . 1 35 35 DG H8 H 1 7.049 0.002 . 1 . . 1264 . A 35 DG H8 . 34740 1 283 . 1 . 1 35 35 DG C8 C 13 136.978 . . 1 . . 1426 . A 35 DG C8 . 34740 1 284 . 1 . 1 36 36 DG H1 H 1 10.699 0.002 . 1 . . 1205 . A 36 DG H1 . 34740 1 285 . 1 . 1 36 36 DG H1' H 1 6.129 0.003 . 1 . . 1216 . A 36 DG H1' . 34740 1 286 . 1 . 1 36 36 DG H2' H 1 3.250 0.003 . 1 . . 1273 . A 36 DG H2' . 34740 1 287 . 1 . 1 36 36 DG H2'' H 1 2.548 0.003 . 1 . . 1274 . A 36 DG H2'' . 34740 1 288 . 1 . 1 36 36 DG H3' H 1 5.002 0.001 . 1 . . 1382 . A 36 DG H3' . 34740 1 289 . 1 . 1 36 36 DG H8 H 1 6.872 0.001 . 1 . . 1267 . A 36 DG H8 . 34740 1 290 . 1 . 1 36 36 DG C8 C 13 140.615 . . 1 . . 1425 . A 36 DG C8 . 34740 1 stop_ save_