################################### # 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 34210 _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' . . . 34210 1 2 '2D 1H-13C HSQC aromatic' . . . 34210 1 3 '2D DQF-COSY' . . . 34210 1 4 '2D 1H-1H TOCSY' . . . 34210 1 5 '2D 1H-1H NOESY' . . . 34210 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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 11.657 0.005 . 1 . . 1389 . A 1 DG H1 . 34210 1 2 . 1 1 1 1 DG H1' H 1 6.078 0.002 . 1 . . 1274 . A 1 DG H1' . 34210 1 3 . 1 1 1 1 DG H2' H 1 2.651 0.003 . 1 . . 1276 . A 1 DG H2' . 34210 1 4 . 1 1 1 1 DG H2'' H 1 3.185 0.001 . 1 . . 1277 . A 1 DG H2'' . 34210 1 5 . 1 1 1 1 DG H3' H 1 5.028 0.002 . 1 . . 1622 . A 1 DG H3' . 34210 1 6 . 1 1 1 1 DG H8 H 1 7.298 0.001 . 1 . . 1275 . A 1 DG H8 . 34210 1 7 . 1 1 1 1 DG C8 C 13 140.750 . . 1 . . 1312 . A 1 DG C8 . 34210 1 8 . 1 1 2 2 DG H1 H 1 11.615 0.001 . 1 . . 1351 . A 2 DG H1 . 34210 1 9 . 1 1 2 2 DG H1' H 1 5.855 0.002 . 1 . . 1278 . A 2 DG H1' . 34210 1 10 . 1 1 2 2 DG H2' H 1 2.577 0.001 . 1 . . 1280 . A 2 DG H2' . 34210 1 11 . 1 1 2 2 DG H2'' H 1 2.680 0.001 . 1 . . 1279 . A 2 DG H2'' . 34210 1 12 . 1 1 2 2 DG H3' H 1 5.135 0.001 . 1 . . 1364 . A 2 DG H3' . 34210 1 13 . 1 1 2 2 DG H8 H 1 7.951 0.001 . 1 . . 1366 . A 2 DG H8 . 34210 1 14 . 1 1 2 2 DG C8 C 13 138.283 . . 1 . . 1367 . A 2 DG C8 . 34210 1 15 . 1 1 3 3 DG H1 H 1 11.467 0.003 . 1 . . 1350 . A 3 DG H1 . 34210 1 16 . 1 1 3 3 DG H1' H 1 6.331 0.002 . 1 . . 1309 . A 3 DG H1' . 34210 1 17 . 1 1 3 3 DG H2' H 1 2.857 0.002 . 1 . . 1310 . A 3 DG H2' . 34210 1 18 . 1 1 3 3 DG H2'' H 1 2.640 0.001 . 1 . . 1311 . A 3 DG H2'' . 34210 1 19 . 1 1 3 3 DG H3' H 1 4.962 0.001 . 1 . . 1365 . A 3 DG H3' . 34210 1 20 . 1 1 3 3 DG H4' H 1 4.476 . . 1 . . 1617 . A 3 DG H4' . 34210 1 21 . 1 1 3 3 DG H8 H 1 7.897 0.001 . 1 . . 1307 . A 3 DG H8 . 34210 1 22 . 1 1 3 3 DG C8 C 13 136.696 . . 1 . . 1308 . A 3 DG C8 . 34210 1 23 . 1 1 4 4 DA H1' H 1 6.398 0.002 . 1 . . 1301 . A 4 DA H1' . 34210 1 24 . 1 1 4 4 DA H2 H 1 7.965 0.002 . 1 . . 1341 . A 4 DA H2 . 34210 1 25 . 1 1 4 4 DA H2' H 1 2.635 0.007 . 1 . . 1305 . A 4 DA H2' . 34210 1 26 . 1 1 4 4 DA H2'' H 1 2.693 0.003 . 1 . . 1304 . A 4 DA H2'' . 34210 1 27 . 1 1 4 4 DA H3' H 1 5.053 0.002 . 1 . . 1375 . A 4 DA H3' . 34210 1 28 . 1 1 4 4 DA H4' H 1 4.476 . . 1 . . 1618 . A 4 DA H4' . 34210 1 29 . 1 1 4 4 DA H8 H 1 8.306 0.0 . 1 . . 1300 . A 4 DA H8 . 34210 1 30 . 1 1 4 4 DA C2 C 13 155.078 . . 1 . . 1342 . A 4 DA C2 . 34210 1 31 . 1 1 4 4 DA C8 C 13 141.959 . . 1 . . 1302 . A 4 DA C8 . 34210 1 32 . 1 1 5 5 DT H1' H 1 6.039 0.001 . 1 . . 1477 . A 5 DT H1' . 34210 1 33 . 1 1 5 5 DT H2' H 1 2.102 0.004 . 1 . . 1479 . A 5 DT H2' . 34210 1 34 . 1 1 5 5 DT H2'' H 1 2.638 0.001 . 1 . . 1478 . A 5 DT H2'' . 34210 1 35 . 1 1 5 5 DT H3' H 1 4.901 0.001 . 1 . . 1623 . A 5 DT H3' . 34210 1 36 . 1 1 5 5 DT H6 H 1 7.270 0.001 . 1 . . 1306 . A 5 DT H6 . 34210 1 37 . 1 1 5 5 DT H71 H 1 1.112 0.003 . 1 . . 1303 . A 5 DT H71 . 34210 1 38 . 1 1 5 5 DT H72 H 1 1.112 0.003 . 1 . . 1303 . A 5 DT H72 . 34210 1 39 . 1 1 5 5 DT H73 H 1 1.112 0.003 . 1 . . 1303 . A 5 DT H73 . 34210 1 40 . 1 1 5 5 DT C6 C 13 137.923 . . 1 . . 1339 . A 5 DT C6 . 34210 1 41 . 1 1 6 6 DG H1 H 1 11.409 0.003 . 1 . . 1392 . A 6 DG H1 . 34210 1 42 . 1 1 6 6 DG H1' H 1 6.156 0.002 . 1 . . 1294 . A 6 DG H1' . 34210 1 43 . 1 1 6 6 DG H2' H 1 3.615 0.002 . 1 . . 1295 . A 6 DG H2' . 34210 1 44 . 1 1 6 6 DG H2'' H 1 3.167 0.001 . 1 . . 1296 . A 6 DG H2'' . 34210 1 45 . 1 1 6 6 DG H3' H 1 4.878 0.002 . 1 . . 1376 . A 6 DG H3' . 34210 1 46 . 1 1 6 6 DG H8 H 1 7.343 0.001 . 1 . . 1368 . A 6 DG H8 . 34210 1 47 . 1 1 6 6 DG C8 C 13 141.656 . . 1 . . 1369 . A 6 DG C8 . 34210 1 48 . 1 1 7 7 DG H1 H 1 11.278 0.0 . 1 . . 1393 . A 7 DG H1 . 34210 1 49 . 1 1 7 7 DG H1' H 1 5.803 0.003 . 1 . . 1334 . A 7 DG H1' . 34210 1 50 . 1 1 7 7 DG H2' H 1 2.677 0.004 . 1 . . 1335 . A 7 DG H2' . 34210 1 51 . 1 1 7 7 DG H2'' H 1 2.520 0.003 . 1 . . 1336 . A 7 DG H2'' . 34210 1 52 . 1 1 7 7 DG H3' H 1 5.035 0.001 . 1 . . 1509 . A 7 DG H3' . 34210 1 53 . 1 1 7 7 DG H8 H 1 7.266 0.0 . 1 . . 1337 . A 7 DG H8 . 34210 1 54 . 1 1 7 7 DG C8 C 13 140.166 . . 1 . . 1338 . A 7 DG C8 . 34210 1 55 . 1 1 8 8 DG H1 H 1 11.277 0.001 . 1 . . 1391 . A 8 DG H1 . 34210 1 56 . 1 1 8 8 DG H1' H 1 5.840 0.001 . 1 . . 1314 . A 8 DG H1' . 34210 1 57 . 1 1 8 8 DG H2' H 1 2.208 0.001 . 1 . . 1332 . A 8 DG H2' . 34210 1 58 . 1 1 8 8 DG H2'' H 1 2.445 0.002 . 1 . . 1331 . A 8 DG H2'' . 34210 1 59 . 1 1 8 8 DG H3' H 1 4.976 . . 1 . . 1510 . A 8 DG H3' . 34210 1 60 . 1 1 8 8 DG H8 H 1 7.702 0.002 . 1 . . 1313 . A 8 DG H8 . 34210 1 61 . 1 1 8 8 DG C8 C 13 137.713 . . 1 . . 1333 . A 8 DG C8 . 34210 1 62 . 1 1 9 9 DA H1' H 1 6.028 0.001 . 1 . . 1330 . A 9 DA H1' . 34210 1 63 . 1 1 9 9 DA H2 H 1 7.728 0.0 . 1 . . 1630 . A 9 DA H2 . 34210 1 64 . 1 1 9 9 DA H2' H 1 2.671 0.002 . 1 . . 1377 . A 9 DA H2' . 34210 1 65 . 1 1 9 9 DA H2'' H 1 2.552 0.002 . 1 . . 1378 . A 9 DA H2'' . 34210 1 66 . 1 1 9 9 DA H3' H 1 4.955 0.002 . 1 . . 1362 . A 9 DA H3' . 34210 1 67 . 1 1 9 9 DA H8 H 1 8.013 0.002 . 1 . . 1328 . A 9 DA H8 . 34210 1 68 . 1 1 9 9 DA C2 C 13 154.783 . . 1 . . 1631 . A 9 DA C2 . 34210 1 69 . 1 1 9 9 DA C8 C 13 141.509 . . 1 . . 1329 . A 9 DA C8 . 34210 1 70 . 1 1 10 10 DC H1' H 1 5.926 0.002 . 1 . . 1381 . A 10 DC H1' . 34210 1 71 . 1 1 10 10 DC H2' H 1 1.762 0.004 . 1 . . 1380 . A 10 DC H2' . 34210 1 72 . 1 1 10 10 DC H2'' H 1 2.170 0.002 . 1 . . 1379 . A 10 DC H2'' . 34210 1 73 . 1 1 10 10 DC H3' H 1 4.605 0.003 . 1 . . 1624 . A 10 DC H3' . 34210 1 74 . 1 1 10 10 DC H5 H 1 5.923 0.002 . 1 . . 1327 . A 10 DC H5 . 34210 1 75 . 1 1 10 10 DC H6 H 1 7.613 0.002 . 1 . . 1611 . A 10 DC H6 . 34210 1 76 . 1 1 10 10 DC C6 C 13 143.495 . . 1 . . 1612 . A 10 DC C6 . 34210 1 77 . 1 1 11 11 DA H1' H 1 5.736 0.001 . 1 . . 1370 . A 11 DA H1' . 34210 1 78 . 1 1 11 11 DA H2 H 1 7.640 0.001 . 1 . . 1394 . A 11 DA H2 . 34210 1 79 . 1 1 11 11 DA H2' H 1 2.407 0.001 . 1 . . 1384 . A 11 DA H2' . 34210 1 80 . 1 1 11 11 DA H2'' H 1 1.988 . . 1 . . 1385 . A 11 DA H2'' . 34210 1 81 . 1 1 11 11 DA H3' H 1 4.410 0.003 . 1 . . 1625 . A 11 DA H3' . 34210 1 82 . 1 1 11 11 DA H8 H 1 7.846 0.001 . 1 . . 1371 . A 11 DA H8 . 34210 1 83 . 1 1 11 11 DA C2 C 13 154.676 . . 1 . . 1395 . A 11 DA C2 . 34210 1 84 . 1 1 11 11 DA C8 C 13 141.422 . . 1 . . 1372 . A 11 DA C8 . 34210 1 85 . 1 1 12 12 DC H1' H 1 5.533 0.001 . 1 . . 1382 . A 12 DC H1' . 34210 1 86 . 1 1 12 12 DC H2' H 1 1.678 0.001 . 1 . . 1383 . A 12 DC H2' . 34210 1 87 . 1 1 12 12 DC H2'' H 1 1.977 0.004 . 1 . . 1323 . A 12 DC H2'' . 34210 1 88 . 1 1 12 12 DC H3' H 1 4.414 0.005 . 1 . . 1506 . A 12 DC H3' . 34210 1 89 . 1 1 12 12 DC H4' H 1 3.531 0.005 . 1 . . 1524 . A 12 DC H4' . 34210 1 90 . 1 1 12 12 DC H5 H 1 5.130 0.002 . 1 . . 1321 . A 12 DC H5 . 34210 1 91 . 1 1 12 12 DC H5' H 1 3.241 0.003 . 1 . . 1525 . A 12 DC H5' . 34210 1 92 . 1 1 12 12 DC H6 H 1 7.027 0.0 . 1 . . 1320 . A 12 DC H6 . 34210 1 93 . 1 1 13 13 DA H1' H 1 5.993 0.001 . 1 . . 1324 . A 13 DA H1' . 34210 1 94 . 1 1 13 13 DA H2 H 1 7.654 0.002 . 1 . . 1388 . A 13 DA H2 . 34210 1 95 . 1 1 13 13 DA H2' H 1 2.420 0.002 . 1 . . 1326 . A 13 DA H2' . 34210 1 96 . 1 1 13 13 DA H2'' H 1 2.719 0.001 . 1 . . 1325 . A 13 DA H2'' . 34210 1 97 . 1 1 13 13 DA H3' H 1 4.764 0.002 . 1 . . 1508 . A 13 DA H3' . 34210 1 98 . 1 1 13 13 DA H4' H 1 4.159 0.001 . 1 . . 1526 . A 13 DA H4' . 34210 1 99 . 1 1 13 13 DA H5' H 1 3.526 0.0 . 1 . . 1527 . A 13 DA H5' . 34210 1 100 . 1 1 13 13 DA H5'' H 1 3.810 0.003 . 1 . . 1528 . A 13 DA H5'' . 34210 1 101 . 1 1 13 13 DA H8 H 1 7.981 0.001 . 1 . . 1573 . A 13 DA H8 . 34210 1 102 . 1 1 13 13 DA C8 C 13 141.444 . . 1 . . 1574 . A 13 DA C8 . 34210 1 103 . 1 1 14 14 DG H1 H 1 11.399 0.003 . 1 . . 1360 . A 14 DG H1 . 34210 1 104 . 1 1 14 14 DG H1' H 1 6.018 0.003 . 1 . . 1346 . A 14 DG H1' . 34210 1 105 . 1 1 14 14 DG H2' H 1 3.401 0.003 . 1 . . 1347 . A 14 DG H2' . 34210 1 106 . 1 1 14 14 DG H2'' H 1 2.971 0.0 . 1 . . 1348 . A 14 DG H2'' . 34210 1 107 . 1 1 14 14 DG H3' H 1 4.939 0.0 . 1 . . 1627 . A 14 DG H3' . 34210 1 108 . 1 1 14 14 DG H8 H 1 7.408 0.001 . 1 . . 1297 . A 14 DG H8 . 34210 1 109 . 1 1 14 14 DG C8 C 13 141.868 . . 1 . . 1349 . A 14 DG C8 . 34210 1 110 . 1 1 15 15 GFL H1' H 1 5.827 0.004 . 1 . . 1298 . A 15 GFL H1' . 34210 1 111 . 1 1 15 15 GFL H2' H 1 5.110 0.002 . 1 . . 1299 . A 15 GFL H2' . 34210 1 112 . 1 1 15 15 GFL H3' H 1 4.979 . . 1 . . 1529 . A 15 GFL H3' . 34210 1 113 . 1 1 15 15 GFL H8 H 1 7.665 0.002 . 1 . . 1571 . A 15 GFL H8 . 34210 1 114 . 1 1 15 15 GFL C8 C 13 140.774 . . 1 . . 1572 . A 15 GFL C8 . 34210 1 115 . 1 1 15 15 GFL HN1 H 1 11.852 0.0 . 1 . . 1343 . A 15 GFL HN1 . 34210 1 116 . 1 1 16 16 DG H1 H 1 11.520 0.001 . 1 . . 1344 . A 16 DG H1 . 34210 1 117 . 1 1 16 16 DG H1' H 1 5.905 0.004 . 1 . . 1317 . A 16 DG H1' . 34210 1 118 . 1 1 16 16 DG H2' H 1 1.894 0.004 . 1 . . 1318 . A 16 DG H2' . 34210 1 119 . 1 1 16 16 DG H2'' H 1 2.444 0.004 . 1 . . 1319 . A 16 DG H2'' . 34210 1 120 . 1 1 16 16 DG H3' H 1 4.905 0.003 . 1 . . 1615 . A 16 DG H3' . 34210 1 121 . 1 1 16 16 DG H8 H 1 7.279 0.001 . 1 . . 1315 . A 16 DG H8 . 34210 1 122 . 1 1 16 16 DG C8 C 13 136.720 . . 1 . . 1316 . A 16 DG C8 . 34210 1 123 . 1 1 17 17 DG H1' H 1 6.075 0.001 . 1 . . 1619 . A 17 DG H1' . 34210 1 124 . 1 1 17 17 DG H2' H 1 2.665 0.002 . 1 . . 1352 . A 17 DG H2' . 34210 1 125 . 1 1 17 17 DG H2'' H 1 2.374 0.004 . 1 . . 1353 . A 17 DG H2'' . 34210 1 126 . 1 1 17 17 DG H3' H 1 4.849 0.007 . 1 . . 1616 . A 17 DG H3' . 34210 1 127 . 1 1 17 17 DG H8 H 1 7.938 0.001 . 1 . . 1609 . A 17 DG H8 . 34210 1 128 . 1 1 17 17 DG C8 C 13 138.311 . . 1 . . 1610 . A 17 DG C8 . 34210 1 129 . 1 1 18 18 DA H1' H 1 5.889 0.002 . 1 . . 1355 . A 18 DA H1' . 34210 1 130 . 1 1 18 18 DA H2 H 1 7.270 . . 1 . . 1470 . A 18 DA H2 . 34210 1 131 . 1 1 18 18 DA H2' H 1 2.404 0.002 . 1 . . 1386 . A 18 DA H2' . 34210 1 132 . 1 1 18 18 DA H2'' H 1 2.295 0.001 . 1 . . 1387 . A 18 DA H2'' . 34210 1 133 . 1 1 18 18 DA H3' H 1 4.768 0.007 . 1 . . 1515 . A 18 DA H3' . 34210 1 134 . 1 1 18 18 DA H4' H 1 3.722 0.003 . 1 . . 1520 . A 18 DA H4' . 34210 1 135 . 1 1 18 18 DA H5' H 1 3.761 0.001 . 2 . . 1521 . A 18 DA H5' . 34210 1 136 . 1 1 18 18 DA H5'' H 1 3.878 0.003 . 2 . . 1522 . A 18 DA H5'' . 34210 1 137 . 1 1 18 18 DA H8 H 1 8.082 0.001 . 1 . . 1354 . A 18 DA H8 . 34210 1 138 . 1 1 18 18 DA C8 C 13 142.229 . . 1 . . 1570 . A 18 DA C8 . 34210 1 139 . 1 1 19 19 DC H1' H 1 5.898 . . 1 . . 1634 . A 19 DC H1' . 34210 1 140 . 1 1 19 19 DC H2' H 1 1.906 0.004 . 1 . . 1373 . A 19 DC H2' . 34210 1 141 . 1 1 19 19 DC H2'' H 1 2.431 0.005 . 1 . . 1374 . A 19 DC H2'' . 34210 1 142 . 1 1 19 19 DC H3' H 1 4.610 0.003 . 1 . . 1516 . A 19 DC H3' . 34210 1 143 . 1 1 19 19 DC H4' H 1 4.148 . . 1 . . 1629 . A 19 DC H4' . 34210 1 144 . 1 1 19 19 DC H5 H 1 5.818 0.002 . 1 . . 1282 . A 19 DC H5 . 34210 1 145 . 1 1 19 19 DC H6 H 1 7.370 0.002 . 1 . . 1281 . A 19 DC H6 . 34210 1 146 . 1 1 19 19 DC C6 C 13 142.967 . . 1 . . 1340 . A 19 DC C6 . 34210 1 147 . 1 1 20 20 DG H1 H 1 11.571 0.0 . 1 . . 1361 . A 20 DG H1 . 34210 1 148 . 1 1 20 20 DG H1' H 1 6.077 0.0 . 1 . . 1270 . A 20 DG H1' . 34210 1 149 . 1 1 20 20 DG H2' H 1 3.738 0.0 . 1 . . 1272 . A 20 DG H2' . 34210 1 150 . 1 1 20 20 DG H2'' H 1 3.190 0.001 . 1 . . 1271 . A 20 DG H2'' . 34210 1 151 . 1 1 20 20 DG H3' H 1 4.689 . . 1 . . 1628 . A 20 DG H3' . 34210 1 152 . 1 1 20 20 DG H8 H 1 7.171 0.001 . 1 . . 1273 . A 20 DG H8 . 34210 1 153 . 1 1 20 20 DG C8 C 13 141.227 . . 1 . . 1293 . A 20 DG C8 . 34210 1 154 . 1 1 21 21 DG H1 H 1 11.526 0.003 . 1 . . 1390 . A 21 DG H1 . 34210 1 155 . 1 1 21 21 DG H1' H 1 5.768 0.001 . 1 . . 1284 . A 21 DG H1' . 34210 1 156 . 1 1 21 21 DG H2' H 1 2.490 0.0 . 1 . . 1285 . A 21 DG H2' . 34210 1 157 . 1 1 21 21 DG H2'' H 1 2.490 0.0 . 1 . . 1286 . A 21 DG H2'' . 34210 1 158 . 1 1 21 21 DG H3' H 1 5.051 0.004 . 1 . . 1626 . A 21 DG H3' . 34210 1 159 . 1 1 21 21 DG H8 H 1 7.403 0.001 . 1 . . 1283 . A 21 DG H8 . 34210 1 160 . 1 1 21 21 DG C8 C 13 140.774 . . 1 . . 1292 . A 21 DG C8 . 34210 1 161 . 1 1 22 22 DG H1 H 1 11.702 0.0 . 1 . . 1345 . A 22 DG H1 . 34210 1 162 . 1 1 22 22 DG H1' H 1 6.191 0.003 . 1 . . 1288 . A 22 DG H1' . 34210 1 163 . 1 1 22 22 DG H2' H 1 2.575 0.003 . 1 . . 1289 . A 22 DG H2' . 34210 1 164 . 1 1 22 22 DG H2'' H 1 2.285 0.001 . 1 . . 1290 . A 22 DG H2'' . 34210 1 165 . 1 1 22 22 DG H3' H 1 4.677 0.002 . 1 . . 1363 . A 22 DG H3' . 34210 1 166 . 1 1 22 22 DG H8 H 1 7.994 0.001 . 1 . . 1287 . A 22 DG H8 . 34210 1 167 . 1 1 22 22 DG C8 C 13 138.638 . . 1 . . 1291 . A 22 DG C8 . 34210 1 stop_ save_