################################### # 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 34445 _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' . . . 34445 1 2 '2D 1H-1H NOESY' . . . 34445 1 3 '2D DQF-COSY' . . . 34445 1 4 '2D 1H-1H TOCSY' . . . 34445 1 5 '2D 1H-13C HSQC aromatic' . . . 34445 1 6 '2D 19F-1H HOESY' . . . 34445 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 11.429 0.004 . 1 . . 1456 . A 1 DG H1 . 34445 1 2 . 1 . 1 1 1 DG H1' H 1 6.012 0.001 . 1 . . 1408 . A 1 DG H1' . 34445 1 3 . 1 . 1 1 1 DG H2' H 1 2.611 0.0 . 1 . . 1409 . A 1 DG H2' . 34445 1 4 . 1 . 1 1 1 DG H2'' H 1 2.880 0.002 . 1 . . 1410 . A 1 DG H2'' . 34445 1 5 . 1 . 1 1 1 DG H3' H 1 4.943 0.003 . 1 . . 1473 . A 1 DG H3' . 34445 1 6 . 1 . 1 1 1 DG H8 H 1 7.177 0.002 . 1 . . 1407 . A 1 DG H8 . 34445 1 7 . 1 . 1 1 1 DG H21 H 1 8.512 0.004 . 1 . . 1465 . A 1 DG H21 . 34445 1 8 . 1 . 1 1 1 DG H22 H 1 4.103 0.001 . 1 . . 1463 . A 1 DG H22 . 34445 1 9 . 1 . 1 1 1 DG C8 C 13 139.711 . . 1 . . 1434 . A 1 DG C8 . 34445 1 10 . 1 . 1 2 2 DG H1 H 1 11.193 0.003 . 1 . . 1457 . A 2 DG H1 . 34445 1 11 . 1 . 1 2 2 DG H1' H 1 5.944 0.002 . 1 . . 1412 . A 2 DG H1' . 34445 1 12 . 1 . 1 2 2 DG H2' H 1 2.345 0.002 . 2 . . 1413 . A 2 DG H2' . 34445 1 13 . 1 . 1 2 2 DG H2'' H 1 2.465 0.008 . 2 . . 1414 . A 2 DG H2'' . 34445 1 14 . 1 . 1 2 2 DG H3' H 1 4.980 0.002 . 1 . . 1474 . A 2 DG H3' . 34445 1 15 . 1 . 1 2 2 DG H8 H 1 7.573 0.002 . 1 . . 1411 . A 2 DG H8 . 34445 1 16 . 1 . 1 2 2 DG C8 C 13 141.222 . . 1 . . 1429 . A 2 DG C8 . 34445 1 17 . 1 . 1 3 3 DG H1' H 1 5.408 0.002 . 1 . . 1365 . A 3 DG H1' . 34445 1 18 . 1 . 1 3 3 DG H2' H 1 2.247 0.003 . 1 . . 1367 . A 3 DG H2' . 34445 1 19 . 1 . 1 3 3 DG H2'' H 1 2.345 0.002 . 1 . . 1368 . A 3 DG H2'' . 34445 1 20 . 1 . 1 3 3 DG H3' H 1 4.580 0.002 . 1 . . 1475 . A 3 DG H3' . 34445 1 21 . 1 . 1 3 3 DG H8 H 1 7.804 0.001 . 1 . . 1366 . A 3 DG H8 . 34445 1 22 . 1 . 1 3 3 DG C8 C 13 139.546 . . 1 . . 1427 . A 3 DG C8 . 34445 1 23 . 1 . 1 4 4 DA H1' H 1 5.875 0.001 . 1 . . 1361 . A 4 DA H1' . 34445 1 24 . 1 . 1 4 4 DA H2 H 1 7.780 0.001 . 1 . . 1464 . A 4 DA H2 . 34445 1 25 . 1 . 1 4 4 DA H2' H 1 2.404 0.002 . 1 . . 1363 . A 4 DA H2' . 34445 1 26 . 1 . 1 4 4 DA H2'' H 1 2.318 0.005 . 1 . . 1364 . A 4 DA H2'' . 34445 1 27 . 1 . 1 4 4 DA H3' H 1 4.709 0.002 . 1 . . 1476 . A 4 DA H3' . 34445 1 28 . 1 . 1 4 4 DA H8 H 1 8.014 0.001 . 1 . . 1362 . A 4 DA H8 . 34445 1 29 . 1 . 1 4 4 DA C2 C 13 154.908 . . 1 . . 1501 . A 4 DA C2 . 34445 1 30 . 1 . 1 4 4 DA C8 C 13 141.993 . . 1 . . 1422 . A 4 DA C8 . 34445 1 31 . 1 . 1 5 5 DT H1' H 1 5.513 0.002 . 1 . . 1343 . A 5 DT H1' . 34445 1 32 . 1 . 1 5 5 DT H2' H 1 2.158 0.001 . 1 . . 1344 . A 5 DT H2' . 34445 1 33 . 1 . 1 5 5 DT H2'' H 1 2.347 0.001 . 1 . . 1345 . A 5 DT H2'' . 34445 1 34 . 1 . 1 5 5 DT H3' H 1 4.599 . . 1 . . 1477 . A 5 DT H3' . 34445 1 35 . 1 . 1 5 5 DT H6 H 1 7.188 0.001 . 1 . . 1435 . A 5 DT H6 . 34445 1 36 . 1 . 1 5 5 DT H71 H 1 1.414 0.002 . 1 . . 1342 . A 5 DT H71 . 34445 1 37 . 1 . 1 5 5 DT H72 H 1 1.414 0.002 . 1 . . 1342 . A 5 DT H72 . 34445 1 38 . 1 . 1 5 5 DT H73 H 1 1.414 0.002 . 1 . . 1342 . A 5 DT H73 . 34445 1 39 . 1 . 1 5 5 DT C6 C 13 139.591 . . 1 . . 1436 . A 5 DT C6 . 34445 1 40 . 1 . 1 6 6 DG H1 H 1 11.308 0.003 . 1 . . 1452 . A 6 DG H1 . 34445 1 41 . 1 . 1 6 6 DG H1' H 1 5.878 0.001 . 1 . . 1382 . A 6 DG H1' . 34445 1 42 . 1 . 1 6 6 DG H2' H 1 2.785 0.001 . 1 . . 1384 . A 6 DG H2' . 34445 1 43 . 1 . 1 6 6 DG H2'' H 1 2.894 0.003 . 1 . . 1383 . A 6 DG H2'' . 34445 1 44 . 1 . 1 6 6 DG H3' H 1 4.966 0.003 . 1 . . 1478 . A 6 DG H3' . 34445 1 45 . 1 . 1 6 6 DG H8 H 1 8.036 0.001 . 1 . . 1381 . A 6 DG H8 . 34445 1 46 . 1 . 1 6 6 DG C8 C 13 138.874 . . 1 . . 1423 . A 6 DG C8 . 34445 1 47 . 1 . 1 7 7 DG H1 H 1 11.687 0.006 . 1 . . 1453 . A 7 DG H1 . 34445 1 48 . 1 . 1 7 7 DG H1' H 1 6.092 0.002 . 1 . . 1379 . A 7 DG H1' . 34445 1 49 . 1 . 1 7 7 DG H2' H 1 2.662 0.002 . 1 . . 1377 . A 7 DG H2' . 34445 1 50 . 1 . 1 7 7 DG H2'' H 1 2.864 0.002 . 1 . . 1378 . A 7 DG H2'' . 34445 1 51 . 1 . 1 7 7 DG H3' H 1 5.042 0.002 . 1 . . 1479 . A 7 DG H3' . 34445 1 52 . 1 . 1 7 7 DG H8 H 1 7.937 0.001 . 1 . . 1380 . A 7 DG H8 . 34445 1 53 . 1 . 1 7 7 DG C8 C 13 137.329 . . 1 . . 1425 . A 7 DG C8 . 34445 1 54 . 1 . 1 8 8 DG H1 H 1 11.275 0.006 . 1 . . 1454 . A 8 DG H1 . 34445 1 55 . 1 . 1 8 8 DG H1' H 1 5.976 0.006 . 1 . . 1375 . A 8 DG H1' . 34445 1 56 . 1 . 1 8 8 DG H2' H 1 1.901 0.002 . 1 . . 1374 . A 8 DG H2' . 34445 1 57 . 1 . 1 8 8 DG H2'' H 1 2.409 0.002 . 1 . . 1376 . A 8 DG H2'' . 34445 1 58 . 1 . 1 8 8 DG H3' H 1 4.934 0.002 . 1 . . 1480 . A 8 DG H3' . 34445 1 59 . 1 . 1 8 8 DG H8 H 1 7.386 0.002 . 1 . . 1373 . A 8 DG H8 . 34445 1 60 . 1 . 1 8 8 DG C8 C 13 137.204 . . 1 . . 1430 . A 8 DG C8 . 34445 1 61 . 1 . 1 9 9 DA H1' H 1 6.336 0.003 . 1 . . 1386 . A 9 DA H1' . 34445 1 62 . 1 . 1 9 9 DA H2' H 1 2.830 0.004 . 1 . . 1388 . A 9 DA H2' . 34445 1 63 . 1 . 1 9 9 DA H2'' H 1 2.696 0.003 . 1 . . 1387 . A 9 DA H2'' . 34445 1 64 . 1 . 1 9 9 DA H3' H 1 5.097 0.0 . 1 . . 1481 . A 9 DA H3' . 34445 1 65 . 1 . 1 9 9 DA H8 H 1 8.373 0.001 . 1 . . 1385 . A 9 DA H8 . 34445 1 66 . 1 . 1 9 9 DA C8 C 13 142.811 . . 1 . . 1449 . A 9 DA C8 . 34445 1 67 . 1 . 1 10 10 DC H1' H 1 5.839 0.003 . 1 . . 1402 . A 10 DC H1' . 34445 1 68 . 1 . 1 10 10 DC H2' H 1 2.111 . . 1 . . 1504 . A 10 DC H2' . 34445 1 69 . 1 . 1 10 10 DC H2'' H 1 1.642 0.0 . 1 . . 1401 . A 10 DC H2'' . 34445 1 70 . 1 . 1 10 10 DC H5 H 1 5.859 . . 1 . . 1400 . A 10 DC H5 . 34445 1 71 . 1 . 1 10 10 DC H6 H 1 7.493 0.001 . 1 . . 1399 . A 10 DC H6 . 34445 1 72 . 1 . 1 10 10 DC C6 C 13 143.338 . . 1 . . 1419 . A 10 DC C6 . 34445 1 73 . 1 . 1 11 11 DA H1' H 1 5.763 0.005 . 1 . . 1405 . A 11 DA H1' . 34445 1 74 . 1 . 1 11 11 DA H2' H 1 2.395 0.001 . 1 . . 1406 . A 11 DA H2' . 34445 1 75 . 1 . 1 11 11 DA H3' H 1 4.623 0.003 . 1 . . 1482 . A 11 DA H3' . 34445 1 76 . 1 . 1 11 11 DA H8 H 1 7.854 0.002 . 1 . . 1403 . A 11 DA H8 . 34445 1 77 . 1 . 1 11 11 DA C8 C 13 141.434 . . 1 . . 1448 . A 11 DA C8 . 34445 1 78 . 1 . 1 12 12 DC H1' H 1 5.698 0.002 . 1 . . 1396 . A 12 DC H1' . 34445 1 79 . 1 . 1 12 12 DC H2' H 1 2.102 0.006 . 1 . . 1397 . A 12 DC H2' . 34445 1 80 . 1 . 1 12 12 DC H2'' H 1 2.157 0.005 . 1 . . 1398 . A 12 DC H2'' . 34445 1 81 . 1 . 1 12 12 DC H5 H 1 5.497 0.003 . 1 . . 1395 . A 12 DC H5 . 34445 1 82 . 1 . 1 12 12 DC H6 H 1 7.276 0.001 . 1 . . 1394 . A 12 DC H6 . 34445 1 83 . 1 . 1 12 12 DC C6 C 13 143.467 . . 1 . . 1420 . A 12 DC C6 . 34445 1 84 . 1 . 1 13 13 DA H1' H 1 5.936 0.001 . 1 . . 1416 . A 13 DA H1' . 34445 1 85 . 1 . 1 13 13 DA H2 H 1 7.739 0.003 . 1 . . 1498 . A 13 DA H2 . 34445 1 86 . 1 . 1 13 13 DA H2' H 1 2.962 0.001 . 2 . . 1417 . A 13 DA H2' . 34445 1 87 . 1 . 1 13 13 DA H2'' H 1 2.044 0.002 . 2 . . 1489 . A 13 DA H2'' . 34445 1 88 . 1 . 1 13 13 DA H3' H 1 4.873 0.001 . 1 . . 1491 . A 13 DA H3' . 34445 1 89 . 1 . 1 13 13 DA H8 H 1 7.796 0.001 . 1 . . 1415 . A 13 DA H8 . 34445 1 90 . 1 . 1 13 13 DA H61 H 1 3.958 0.004 . 1 . . 1505 . A 13 DA H61 . 34445 1 91 . 1 . 1 13 13 DA H62 H 1 8.125 0.001 . 1 . . 1494 . A 13 DA H62 . 34445 1 92 . 1 . 1 13 13 DA C2 C 13 154.187 . . 1 . . 1497 . A 13 DA C2 . 34445 1 93 . 1 . 1 13 13 DA C8 C 13 140.858 . . 1 . . 1493 . A 13 DA C8 . 34445 1 94 . 1 . 1 14 14 GF2 H1' H 1 5.697 0.007 . 1 . . 1432 . A 14 GF2 H1' . 34445 1 95 . 1 . 1 14 14 GF2 H2' H 1 6.297 0.002 . 1 . . 1466 . A 14 GF2 H2' . 34445 1 96 . 1 . 1 14 14 GF2 H3' H 1 4.965 0.002 . 1 . . 1467 . A 14 GF2 H3' . 34445 1 97 . 1 . 1 14 14 GF2 H8 H 1 6.821 0.003 . 1 . . 1431 . A 14 GF2 H8 . 34445 1 98 . 1 . 1 14 14 GF2 C8 C 13 141.685 . . 1 . . 1433 . A 14 GF2 C8 . 34445 1 99 . 1 . 1 14 14 GF2 F F 19 -127.831 . . 1 . . 1496 . A 14 GF2 F . 34445 1 100 . 1 . 1 14 14 GF2 HN1 H 1 10.792 0.003 . 1 . . 1458 . A 14 GF2 HN1 . 34445 1 101 . 1 . 1 15 15 GFL H1' H 1 6.263 0.002 . 1 . . 1359 . A 15 GFL H1' . 34445 1 102 . 1 . 1 15 15 GFL H2' H 1 5.405 0.001 . 1 . . 1347 . A 15 GFL H2' . 34445 1 103 . 1 . 1 15 15 GFL H3' H 1 4.698 0.003 . 1 . . 1437 . A 15 GFL H3' . 34445 1 104 . 1 . 1 15 15 GFL H8 H 1 7.851 0.001 . 1 . . 1360 . A 15 GFL H8 . 34445 1 105 . 1 . 1 15 15 GFL C8 C 13 137.995 . . 1 . . 1447 . A 15 GFL C8 . 34445 1 106 . 1 . 1 15 15 GFL F F 19 -116.235 0.001 . 1 . . 1495 . A 15 GFL F . 34445 1 107 . 1 . 1 15 15 GFL HN1 H 1 11.895 0.0 . 1 . . 1450 . A 15 GFL HN1 . 34445 1 108 . 1 . 1 16 16 DG H1 H 1 11.574 0.002 . 1 . . 1451 . A 16 DG H1 . 34445 1 109 . 1 . 1 16 16 DG H1' H 1 6.069 0.002 . 1 . . 1348 . A 16 DG H1' . 34445 1 110 . 1 . 1 16 16 DG H2' H 1 2.840 0.002 . 1 . . 1445 . A 16 DG H2' . 34445 1 111 . 1 . 1 16 16 DG H2'' H 1 2.722 0.001 . 1 . . 1444 . A 16 DG H2'' . 34445 1 112 . 1 . 1 16 16 DG H3' H 1 5.063 0.001 . 1 . . 1483 . A 16 DG H3' . 34445 1 113 . 1 . 1 16 16 DG H8 H 1 7.881 0.002 . 1 . . 1346 . A 16 DG H8 . 34445 1 114 . 1 . 1 16 16 DG H21 H 1 9.401 0.001 . 1 . . 1502 . A 16 DG H21 . 34445 1 115 . 1 . 1 16 16 DG H22 H 1 6.937 0.003 . 1 . . 1503 . A 16 DG H22 . 34445 1 116 . 1 . 1 16 16 DG C8 C 13 139.961 . . 1 . . 1426 . A 16 DG C8 . 34445 1 117 . 1 . 1 17 17 DG H1 H 1 11.253 0.002 . 1 . . 1455 . A 17 DG H1 . 34445 1 118 . 1 . 1 17 17 DG H1' H 1 6.250 0.003 . 1 . . 1439 . A 17 DG H1' . 34445 1 119 . 1 . 1 17 17 DG H2' H 1 2.669 0.005 . 1 . . 1441 . A 17 DG H2' . 34445 1 120 . 1 . 1 17 17 DG H2'' H 1 2.539 0.002 . 1 . . 1440 . A 17 DG H2'' . 34445 1 121 . 1 . 1 17 17 DG H3' H 1 4.981 . . 1 . . 1484 . A 17 DG H3' . 34445 1 122 . 1 . 1 17 17 DG H8 H 1 7.841 0.001 . 1 . . 1438 . A 17 DG H8 . 34445 1 123 . 1 . 1 17 17 DG C8 C 13 138.171 . . 1 . . 1492 . A 17 DG C8 . 34445 1 124 . 1 . 1 18 18 DA H1' H 1 6.543 0.002 . 1 . . 1356 . A 18 DA H1' . 34445 1 125 . 1 . 1 18 18 DA H2 H 1 8.363 0.002 . 1 . . 1499 . A 18 DA H2 . 34445 1 126 . 1 . 1 18 18 DA H2' H 1 3.055 0.001 . 1 . . 1358 . A 18 DA H2' . 34445 1 127 . 1 . 1 18 18 DA H2'' H 1 2.935 0.001 . 1 . . 1357 . A 18 DA H2'' . 34445 1 128 . 1 . 1 18 18 DA H8 H 1 8.580 0.002 . 1 . . 1355 . A 18 DA H8 . 34445 1 129 . 1 . 1 18 18 DA C2 C 13 155.710 . . 1 . . 1500 . A 18 DA C2 . 34445 1 130 . 1 . 1 18 18 DA C8 C 13 143.138 . . 1 . . 1421 . A 18 DA C8 . 34445 1 131 . 1 . 1 19 19 DC H1' H 1 6.379 0.001 . 1 . . 1391 . A 19 DC H1' . 34445 1 132 . 1 . 1 19 19 DC H2' H 1 2.442 0.005 . 1 . . 1392 . A 19 DC H2' . 34445 1 133 . 1 . 1 19 19 DC H2'' H 1 2.663 0.001 . 1 . . 1393 . A 19 DC H2'' . 34445 1 134 . 1 . 1 19 19 DC H6 H 1 7.947 0.002 . 1 . . 1389 . A 19 DC H6 . 34445 1 135 . 1 . 1 19 19 DC C6 C 13 144.955 . . 1 . . 1418 . A 19 DC C6 . 34445 1 136 . 1 . 1 20 20 DG H1 H 1 11.522 0.001 . 1 . . 1459 . A 20 DG H1 . 34445 1 137 . 1 . 1 20 20 DG H1' H 1 6.066 0.004 . 1 . . 1443 . A 20 DG H1' . 34445 1 138 . 1 . 1 20 20 DG H2' H 1 2.389 0.003 . 1 . . 1349 . A 20 DG H2' . 34445 1 139 . 1 . 1 20 20 DG H2'' H 1 2.856 0.002 . 1 . . 1350 . A 20 DG H2'' . 34445 1 140 . 1 . 1 20 20 DG H3' H 1 4.785 0.003 . 1 . . 1486 . A 20 DG H3' . 34445 1 141 . 1 . 1 20 20 DG H8 H 1 7.878 0.002 . 1 . . 1442 . A 20 DG H8 . 34445 1 142 . 1 . 1 20 20 DG C8 C 13 138.500 . . 1 . . 1446 . A 20 DG C8 . 34445 1 143 . 1 . 1 21 21 DG H1 H 1 11.477 0.003 . 1 . . 1460 . A 21 DG H1 . 34445 1 144 . 1 . 1 21 21 DG H1' H 1 6.187 0.001 . 1 . . 1352 . A 21 DG H1' . 34445 1 145 . 1 . 1 21 21 DG H2' H 1 2.860 0.004 . 1 . . 1354 . A 21 DG H2' . 34445 1 146 . 1 . 1 21 21 DG H2'' H 1 2.908 0.002 . 1 . . 1353 . A 21 DG H2'' . 34445 1 147 . 1 . 1 21 21 DG H3' H 1 5.082 0.002 . 1 . . 1487 . A 21 DG H3' . 34445 1 148 . 1 . 1 21 21 DG H8 H 1 7.997 0.001 . 1 . . 1351 . A 21 DG H8 . 34445 1 149 . 1 . 1 21 21 DG C8 C 13 138.073 . . 1 . . 1424 . A 21 DG C8 . 34445 1 150 . 1 . 1 22 22 DG H1 H 1 11.394 0.003 . 1 . . 1461 . A 22 DG H1 . 34445 1 151 . 1 . 1 22 22 DG H1' H 1 6.418 0.003 . 1 . . 1370 . A 22 DG H1' . 34445 1 152 . 1 . 1 22 22 DG H2' H 1 2.639 . . 1 . . 1372 . A 22 DG H2' . 34445 1 153 . 1 . 1 22 22 DG H2'' H 1 2.504 0.002 . 1 . . 1371 . A 22 DG H2'' . 34445 1 154 . 1 . 1 22 22 DG H3' H 1 4.745 0.003 . 1 . . 1488 . A 22 DG H3' . 34445 1 155 . 1 . 1 22 22 DG H8 H 1 7.780 0.001 . 1 . . 1369 . A 22 DG H8 . 34445 1 156 . 1 . 1 22 22 DG C8 C 13 137.930 . . 1 . . 1428 . A 22 DG C8 . 34445 1 stop_ save_