################################### # 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 34895 _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' . . . 34895 1 2 '2D 1H-1H NOESY' . . . 34895 1 3 '2D 1H-1H COSY' . . . 34895 1 4 '1H-15N HMQC' . . . 34895 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 11.737 0.002 . 1 . . 1674 . A 1 DG H1 . 34895 1 2 . 1 . 1 1 1 DG H1' H 1 6.137 0.002 . 1 . . 1533 . A 1 DG H1' . 34895 1 3 . 1 . 1 1 1 DG H2' H 1 2.616 0.003 . 1 . . 1611 . A 1 DG H2' . 34895 1 4 . 1 . 1 1 1 DG H2'' H 1 3.224 0.003 . 1 . . 1609 . A 1 DG H2'' . 34895 1 5 . 1 . 1 1 1 DG H3' H 1 5.027 0.003 . 1 . . 1645 . A 1 DG H3' . 34895 1 6 . 1 . 1 1 1 DG H8 H 1 7.434 0.002 . 1 . . 1534 . A 1 DG H8 . 34895 1 7 . 1 . 1 1 1 DG C8 C 13 141.404 . . 1 . . 1706 . A 1 DG C8 . 34895 1 8 . 1 . 1 2 2 DG H1 H 1 11.972 0.002 . 1 . . 1684 . A 2 DG H1 . 34895 1 9 . 1 . 1 2 2 DG H1' H 1 5.910 0.004 . 1 . . 1535 . A 2 DG H1' . 34895 1 10 . 1 . 1 2 2 DG H2' H 1 2.547 0.009 . 1 . . 1612 . A 2 DG H2' . 34895 1 11 . 1 . 1 2 2 DG H2'' H 1 2.813 0.002 . 1 . . 1600 . A 2 DG H2'' . 34895 1 12 . 1 . 1 2 2 DG H3' H 1 5.115 0.003 . 1 . . 1652 . A 2 DG H3' . 34895 1 13 . 1 . 1 2 2 DG H8 H 1 7.926 0.002 . 1 . . 1532 . A 2 DG H8 . 34895 1 14 . 1 . 1 2 2 DG C8 C 13 138.134 . . 1 . . 1722 . A 2 DG C8 . 34895 1 15 . 1 . 1 3 3 DG H1 H 1 11.334 0.004 . 1 . . 1683 . A 3 DG H1 . 34895 1 16 . 1 . 1 3 3 DG H1' H 1 5.918 0.003 . 1 . . 1536 . A 3 DG H1' . 34895 1 17 . 1 . 1 3 3 DG H2' H 1 2.790 0.004 . 1 . . 1603 . A 3 DG H2' . 34895 1 18 . 1 . 1 3 3 DG H2'' H 1 2.520 0.003 . 1 . . 1602 . A 3 DG H2'' . 34895 1 19 . 1 . 1 3 3 DG H3' H 1 5.031 0.003 . 1 . . 1653 . A 3 DG H3' . 34895 1 20 . 1 . 1 3 3 DG H8 H 1 7.989 0.002 . 1 . . 1504 . A 3 DG H8 . 34895 1 21 . 1 . 1 3 3 DG C8 C 13 138.719 . . 1 . . 1720 . A 3 DG C8 . 34895 1 22 . 1 . 1 4 4 DC H1' H 1 6.189 0.002 . 1 . . 1531 . A 4 DC H1' . 34895 1 23 . 1 . 1 4 4 DC H2' H 1 1.986 0.002 . 1 . . 1594 . A 4 DC H2' . 34895 1 24 . 1 . 1 4 4 DC H2'' H 1 2.616 0.005 . 1 . . 1601 . A 4 DC H2'' . 34895 1 25 . 1 . 1 4 4 DC H3' H 1 5.030 0.001 . 1 . . 1644 . A 4 DC H3' . 34895 1 26 . 1 . 1 4 4 DC H5 H 1 5.704 0.003 . 1 . . 1490 . A 4 DC H5 . 34895 1 27 . 1 . 1 4 4 DC H6 H 1 7.561 0.003 . 1 . . 1489 . A 4 DC H6 . 34895 1 28 . 1 . 1 4 4 DC H41 H 1 8.075 0.001 . 1 . . 1512 . A 4 DC H41 . 34895 1 29 . 1 . 1 4 4 DC H42 H 1 7.344 0.002 . 1 . . 1513 . A 4 DC H42 . 34895 1 30 . 1 . 1 4 4 DC C6 C 13 143.027 . . 1 . . 1711 . A 4 DC C6 . 34895 1 31 . 1 . 1 5 5 DG H1 H 1 12.647 0.002 . 1 . . 1518 . A 5 DG H1 . 34895 1 32 . 1 . 1 5 5 DG H1' H 1 5.552 0.002 . 1 . . 1530 . A 5 DG H1' . 34895 1 33 . 1 . 1 5 5 DG H2' H 1 2.620 0.003 . 1 . . 1596 . A 5 DG H2' . 34895 1 34 . 1 . 1 5 5 DG H2'' H 1 2.546 0.003 . 1 . . 1595 . A 5 DG H2'' . 34895 1 35 . 1 . 1 5 5 DG H3' H 1 4.966 0.004 . 1 . . 1646 . A 5 DG H3' . 34895 1 36 . 1 . 1 5 5 DG H8 H 1 7.919 0.002 . 1 . . 1529 . A 5 DG H8 . 34895 1 37 . 1 . 1 5 5 DG C8 C 13 138.126 . . 1 . . 1721 . A 5 DG C8 . 34895 1 38 . 1 . 1 6 6 DC H1' H 1 5.680 0.003 . 1 . . 1537 . A 6 DC H1' . 34895 1 39 . 1 . 1 6 6 DC H2' H 1 1.790 0.003 . 1 . . 1598 . A 6 DC H2' . 34895 1 40 . 1 . 1 6 6 DC H2'' H 1 2.257 0.005 . 1 . . 1599 . A 6 DC H2'' . 34895 1 41 . 1 . 1 6 6 DC H3' H 1 4.812 0.002 . 1 . . 1654 . A 6 DC H3' . 34895 1 42 . 1 . 1 6 6 DC H5 H 1 5.439 0.002 . 1 . . 1483 . A 6 DC H5 . 34895 1 43 . 1 . 1 6 6 DC H6 H 1 7.285 0.003 . 1 . . 1482 . A 6 DC H6 . 34895 1 44 . 1 . 1 6 6 DC H41 H 1 8.108 0.004 . 1 . . 1516 . A 6 DC H41 . 34895 1 45 . 1 . 1 6 6 DC H42 H 1 6.324 0.003 . 1 . . 1517 . A 6 DC H42 . 34895 1 46 . 1 . 1 6 6 DC C6 C 13 142.638 . . 1 . . 1707 . A 6 DC C6 . 34895 1 47 . 1 . 1 7 7 DG H1 H 1 12.765 0.004 . 1 . . 1514 . A 7 DG H1 . 34895 1 48 . 1 . 1 7 7 DG H1' H 1 5.272 0.002 . 1 . . 1539 . A 7 DG H1' . 34895 1 49 . 1 . 1 7 7 DG H2' H 1 2.605 0.005 . 1 . . 1597 . A 7 DG H2' . 34895 1 50 . 1 . 1 7 7 DG H2'' H 1 2.659 0.002 . 1 . . 1574 . A 7 DG H2'' . 34895 1 51 . 1 . 1 7 7 DG H3' H 1 4.941 0.004 . 1 . . 1650 . A 7 DG H3' . 34895 1 52 . 1 . 1 7 7 DG H8 H 1 7.852 0.003 . 1 . . 1538 . A 7 DG H8 . 34895 1 53 . 1 . 1 7 7 DG C8 C 13 138.155 . . 1 . . 1724 . A 7 DG C8 . 34895 1 54 . 1 . 1 8 8 DA H1' H 1 5.864 0.004 . 1 . . 1521 . A 8 DA H1' . 34895 1 55 . 1 . 1 8 8 DA H2 H 1 7.557 0.002 . 1 . . 1507 . A 8 DA H2 . 34895 1 56 . 1 . 1 8 8 DA H2' H 1 2.291 0.002 . 1 . . 1592 . A 8 DA H2' . 34895 1 57 . 1 . 1 8 8 DA H2'' H 1 2.593 0.003 . 1 . . 1593 . A 8 DA H2'' . 34895 1 58 . 1 . 1 8 8 DA H3' H 1 4.948 0.004 . 1 . . 1656 . A 8 DA H3' . 34895 1 59 . 1 . 1 8 8 DA H8 H 1 7.899 0.002 . 1 . . 1523 . A 8 DA H8 . 34895 1 60 . 1 . 1 8 8 DA C2 C 13 154.456 . . 1 . . 1693 . A 8 DA C2 . 34895 1 61 . 1 . 1 8 8 DA C8 C 13 141.021 . . 1 . . 1715 . A 8 DA C8 . 34895 1 62 . 1 . 1 9 9 DA H1' H 1 5.856 0.003 . 1 . . 1520 . A 9 DA H1' . 34895 1 63 . 1 . 1 9 9 DA H2 H 1 7.678 0.003 . 1 . . 1509 . A 9 DA H2 . 34895 1 64 . 1 . 1 9 9 DA H2' H 1 2.055 0.004 . 1 . . 1590 . A 9 DA H2' . 34895 1 65 . 1 . 1 9 9 DA H2'' H 1 2.408 0.003 . 1 . . 1591 . A 9 DA H2'' . 34895 1 66 . 1 . 1 9 9 DA H3' H 1 4.867 0.002 . 1 . . 1655 . A 9 DA H3' . 34895 1 67 . 1 . 1 9 9 DA H8 H 1 7.459 0.003 . 1 . . 1522 . A 9 DA H8 . 34895 1 68 . 1 . 1 9 9 DA C2 C 13 154.996 . . 1 . . 1692 . A 9 DA C2 . 34895 1 69 . 1 . 1 9 9 DA C8 C 13 139.901 . . 1 . . 1704 . A 9 DA C8 . 34895 1 70 . 1 . 1 10 10 DG H1' H 1 5.369 0.003 . 1 . . 1491 . A 10 DG H1' . 34895 1 71 . 1 . 1 10 10 DG H2' H 1 2.627 0.004 . 1 . . 1573 . A 10 DG H2' . 34895 1 72 . 1 . 1 10 10 DG H2'' H 1 2.339 0.001 . 1 . . 1572 . A 10 DG H2'' . 34895 1 73 . 1 . 1 10 10 DG H3' H 1 4.805 0.002 . 1 . . 1657 . A 10 DG H3' . 34895 1 74 . 1 . 1 10 10 DG H8 H 1 8.035 0.001 . 1 . . 1524 . A 10 DG H8 . 34895 1 75 . 1 . 1 10 10 DG C8 C 13 138.990 . . 1 . . 1719 . A 10 DG C8 . 34895 1 76 . 1 . 1 11 11 DC H1' H 1 5.696 0.002 . 1 . . 1495 . A 11 DC H1' . 34895 1 77 . 1 . 1 11 11 DC H2' H 1 1.597 0.005 . 1 . . 1588 . A 11 DC H2' . 34895 1 78 . 1 . 1 11 11 DC H2'' H 1 2.053 0.0 . 1 . . 1589 . A 11 DC H2'' . 34895 1 79 . 1 . 1 11 11 DC H3' H 1 4.418 0.003 . 1 . . 1658 . A 11 DC H3' . 34895 1 80 . 1 . 1 11 11 DC H5 H 1 5.227 0.002 . 1 . . 1485 . A 11 DC H5 . 34895 1 81 . 1 . 1 11 11 DC H6 H 1 7.205 0.003 . 1 . . 1484 . A 11 DC H6 . 34895 1 82 . 1 . 1 11 11 DC C6 C 13 143.631 . . 1 . . 1709 . A 11 DC C6 . 34895 1 83 . 1 . 1 12 12 DA H1' H 1 6.305 0.003 . 1 . . 1493 . A 12 DA H1' . 34895 1 84 . 1 . 1 12 12 DA H2 H 1 8.027 0.002 . 1 . . 1494 . A 12 DA H2 . 34895 1 85 . 1 . 1 12 12 DA H2' H 1 2.974 0.015 . 1 . . 1577 . A 12 DA H2' . 34895 1 86 . 1 . 1 12 12 DA H2'' H 1 2.934 0.0 . 1 . . 1576 . A 12 DA H2'' . 34895 1 87 . 1 . 1 12 12 DA H3' H 1 4.812 0.003 . 1 . . 1641 . A 12 DA H3' . 34895 1 88 . 1 . 1 12 12 DA H8 H 1 8.082 0.002 . 1 . . 1492 . A 12 DA H8 . 34895 1 89 . 1 . 1 12 12 DA C2 C 13 155.385 . . 1 . . 1691 . A 12 DA C2 . 34895 1 90 . 1 . 1 12 12 DA C8 C 13 143.105 . . 1 . . 1696 . A 12 DA C8 . 34895 1 91 . 1 . 1 13 13 DT H1' H 1 5.677 0.005 . 1 . . 1526 . A 13 DT H1' . 34895 1 92 . 1 . 1 13 13 DT H2' H 1 2.112 0.007 . 1 . . 1578 . A 13 DT H2' . 34895 1 93 . 1 . 1 13 13 DT H2'' H 1 2.483 0.001 . 1 . . 1579 . A 13 DT H2'' . 34895 1 94 . 1 . 1 13 13 DT H3 H 1 13.273 0.004 . 1 . . 1510 . A 13 DT H3 . 34895 1 95 . 1 . 1 13 13 DT H3' H 1 4.754 0.005 . 1 . . 1661 . A 13 DT H3' . 34895 1 96 . 1 . 1 13 13 DT H6 H 1 7.400 0.001 . 1 . . 1525 . A 13 DT H6 . 34895 1 97 . 1 . 1 13 13 DT H71 H 1 1.831 0.003 . 1 . . 1582 . A 13 DT H71 . 34895 1 98 . 1 . 1 13 13 DT H72 H 1 1.831 0.003 . 1 . . 1582 . A 13 DT H72 . 34895 1 99 . 1 . 1 13 13 DT H73 H 1 1.831 0.003 . 1 . . 1582 . A 13 DT H73 . 34895 1 100 . 1 . 1 13 13 DT C6 C 13 139.368 . . 1 . . 1702 . A 13 DT C6 . 34895 1 101 . 1 . 1 14 14 DT H1' H 1 6.016 0.004 . 1 . . 1527 . A 14 DT H1' . 34895 1 102 . 1 . 1 14 14 DT H2' H 1 2.141 0.007 . 1 . . 1580 . A 14 DT H2' . 34895 1 103 . 1 . 1 14 14 DT H2'' H 1 2.405 0.003 . 1 . . 1581 . A 14 DT H2'' . 34895 1 104 . 1 . 1 14 14 DT H3 H 1 13.862 0.001 . 1 . . 1508 . A 14 DT H3 . 34895 1 105 . 1 . 1 14 14 DT H3' H 1 4.838 0.003 . 1 . . 1663 . A 14 DT H3' . 34895 1 106 . 1 . 1 14 14 DT H6 H 1 7.399 0.003 . 1 . . 1528 . A 14 DT H6 . 34895 1 107 . 1 . 1 14 14 DT H71 H 1 1.621 0.005 . 1 . . 1567 . A 14 DT H71 . 34895 1 108 . 1 . 1 14 14 DT H72 H 1 1.621 0.005 . 1 . . 1567 . A 14 DT H72 . 34895 1 109 . 1 . 1 14 14 DT H73 H 1 1.621 0.005 . 1 . . 1567 . A 14 DT H73 . 34895 1 110 . 1 . 1 14 14 DT C6 C 13 139.837 . . 1 . . 1703 . A 14 DT C6 . 34895 1 111 . 1 . 1 15 15 DC H1' H 1 5.450 0.002 . 1 . . 1486 . A 15 DC H1' . 34895 1 112 . 1 . 1 15 15 DC H2' H 1 1.989 0.004 . 1 . . 1570 . A 15 DC H2' . 34895 1 113 . 1 . 1 15 15 DC H2'' H 1 2.220 0.002 . 1 . . 1575 . A 15 DC H2'' . 34895 1 114 . 1 . 1 15 15 DC H3' H 1 4.749 0.002 . 1 . . 1649 . A 15 DC H3' . 34895 1 115 . 1 . 1 15 15 DC H5 H 1 5.637 0.002 . 1 . . 1479 . A 15 DC H5 . 34895 1 116 . 1 . 1 15 15 DC H6 H 1 7.445 0.005 . 1 . . 1481 . A 15 DC H6 . 34895 1 117 . 1 . 1 15 15 DC H41 H 1 8.462 0.001 . 1 . . 1480 . A 15 DC H41 . 34895 1 118 . 1 . 1 15 15 DC H42 H 1 6.866 0.002 . 1 . . 1478 . A 15 DC H42 . 34895 1 119 . 1 . 1 15 15 DC C6 C 13 143.680 . . 1 . . 1710 . A 15 DC C6 . 34895 1 120 . 1 . 1 16 16 DG H1 H 1 12.770 0.004 . 1 . . 1515 . A 16 DG H1 . 34895 1 121 . 1 . 1 16 16 DG H1' H 1 5.677 0.003 . 1 . . 1488 . A 16 DG H1' . 34895 1 122 . 1 . 1 16 16 DG H2' H 1 2.196 0.005 . 1 . . 1568 . A 16 DG H2' . 34895 1 123 . 1 . 1 16 16 DG H2'' H 1 2.237 0.005 . 1 . . 1569 . A 16 DG H2'' . 34895 1 124 . 1 . 1 16 16 DG H3' H 1 4.714 0.002 . 1 . . 1662 . A 16 DG H3' . 34895 1 125 . 1 . 1 16 16 DG H8 H 1 7.579 0.002 . 1 . . 1487 . A 16 DG H8 . 34895 1 126 . 1 . 1 16 16 DG C8 C 13 138.127 . . 1 . . 1712 . A 16 DG C8 . 34895 1 127 . 1 . 1 17 17 DC H1' H 1 5.370 0.004 . 1 . . 1474 . A 17 DC H1' . 34895 1 128 . 1 . 1 17 17 DC H2' H 1 1.688 0.002 . 1 . . 1566 . A 17 DC H2' . 34895 1 129 . 1 . 1 17 17 DC H2'' H 1 2.052 0.005 . 1 . . 1565 . A 17 DC H2'' . 34895 1 130 . 1 . 1 17 17 DC H3' H 1 4.581 0.004 . 1 . . 1648 . A 17 DC H3' . 34895 1 131 . 1 . 1 17 17 DC H5 H 1 4.424 0.002 . 1 . . 1476 . A 17 DC H5 . 34895 1 132 . 1 . 1 17 17 DC H6 H 1 7.032 0.003 . 1 . . 1475 . A 17 DC H6 . 34895 1 133 . 1 . 1 17 17 DC H41 H 1 7.863 0.001 . 1 . . 1519 . A 17 DC H41 . 34895 1 134 . 1 . 1 17 17 DC H42 H 1 6.607 0.002 . 1 . . 1477 . A 17 DC H42 . 34895 1 135 . 1 . 1 17 17 DC C6 C 13 142.793 . . 1 . . 1697 . A 17 DC C6 . 34895 1 136 . 1 . 1 18 18 DG H1 H 1 13.570 0.004 . 1 . . 1511 . A 18 DG H1 . 34895 1 137 . 1 . 1 18 18 DG H1' H 1 6.023 0.006 . 1 . . 1473 . A 18 DG H1' . 34895 1 138 . 1 . 1 18 18 DG H2' H 1 2.565 0.004 . 1 . . 1563 . A 18 DG H2' . 34895 1 139 . 1 . 1 18 18 DG H2'' H 1 3.192 0.004 . 1 . . 1564 . A 18 DG H2'' . 34895 1 140 . 1 . 1 18 18 DG H3' H 1 4.969 0.004 . 1 . . 1664 . A 18 DG H3' . 34895 1 141 . 1 . 1 18 18 DG H8 H 1 8.414 0.003 . 1 . . 1472 . A 18 DG H8 . 34895 1 142 . 1 . 1 18 18 DG C8 C 13 139.860 . . 1 . . 1689 . A 18 DG C8 . 34895 1 143 . 1 . 1 19 19 DG H1 H 1 11.193 0.003 . 1 . . 1685 . A 19 DG H1 . 34895 1 144 . 1 . 1 19 19 DG H1' H 1 5.799 0.002 . 1 . . 1550 . A 19 DG H1' . 34895 1 145 . 1 . 1 19 19 DG H2' H 1 2.981 0.002 . 1 . . 1615 . A 19 DG H2' . 34895 1 146 . 1 . 1 19 19 DG H2'' H 1 2.785 0.0 . 1 . . 1623 . A 19 DG H2'' . 34895 1 147 . 1 . 1 19 19 DG H3' H 1 4.934 0.003 . 1 . . 1665 . A 19 DG H3' . 34895 1 148 . 1 . 1 19 19 DG H8 H 1 7.199 0.003 . 1 . . 1548 . A 19 DG H8 . 34895 1 149 . 1 . 1 19 19 DG C8 C 13 141.410 . . 1 . . 1699 . A 19 DG C8 . 34895 1 150 . 1 . 1 20 20 DG H1 H 1 10.900 0.004 . 1 . . 1682 . A 20 DG H1 . 34895 1 151 . 1 . 1 20 20 DG H1' H 1 5.649 0.003 . 1 . . 1551 . A 20 DG H1' . 34895 1 152 . 1 . 1 20 20 DG H2' H 1 2.348 0.006 . 1 . . 1624 . A 20 DG H2' . 34895 1 153 . 1 . 1 20 20 DG H2'' H 1 2.247 0.003 . 1 . . 1622 . A 20 DG H2'' . 34895 1 154 . 1 . 1 20 20 DG H3' H 1 4.943 0.005 . 1 . . 1647 . A 20 DG H3' . 34895 1 155 . 1 . 1 20 20 DG H8 H 1 7.208 0.004 . 1 . . 1549 . A 20 DG H8 . 34895 1 156 . 1 . 1 20 20 DG C8 C 13 140.662 . . 1 . . 1700 . A 20 DG C8 . 34895 1 157 . 1 . 1 21 21 DG H1 H 1 11.196 0.005 . 1 . . 1676 . A 21 DG H1 . 34895 1 158 . 1 . 1 21 21 DG H1' H 1 5.898 0.003 . 1 . . 1557 . A 21 DG H1' . 34895 1 159 . 1 . 1 21 21 DG H2' H 1 2.657 0.003 . 1 . . 1614 . A 21 DG H2' . 34895 1 160 . 1 . 1 21 21 DG H2'' H 1 2.491 0.004 . 1 . . 1613 . A 21 DG H2'' . 34895 1 161 . 1 . 1 21 21 DG H3' H 1 5.097 0.001 . 1 . . 1666 . A 21 DG H3' . 34895 1 162 . 1 . 1 21 21 DG H8 H 1 7.844 0.004 . 1 . . 1556 . A 21 DG H8 . 34895 1 163 . 1 . 1 21 21 DG C8 C 13 138.151 . . 1 . . 1726 . A 21 DG C8 . 34895 1 164 . 1 . 1 22 22 DT H1' H 1 6.259 0.003 . 1 . . 1497 . A 22 DT H1' . 34895 1 165 . 1 . 1 22 22 DT H2' H 1 2.276 0.002 . 1 . . 1625 . A 22 DT H2' . 34895 1 166 . 1 . 1 22 22 DT H2'' H 1 2.466 0.005 . 1 . . 1626 . A 22 DT H2'' . 34895 1 167 . 1 . 1 22 22 DT H3' H 1 4.844 0.002 . 1 . . 1642 . A 22 DT H3' . 34895 1 168 . 1 . 1 22 22 DT H6 H 1 7.826 0.005 . 1 . . 1496 . A 22 DT H6 . 34895 1 169 . 1 . 1 22 22 DT H71 H 1 1.961 0.002 . 1 . . 1619 . A 22 DT H71 . 34895 1 170 . 1 . 1 22 22 DT H72 H 1 1.961 0.002 . 1 . . 1619 . A 22 DT H72 . 34895 1 171 . 1 . 1 22 22 DT H73 H 1 1.961 0.002 . 1 . . 1619 . A 22 DT H73 . 34895 1 172 . 1 . 1 22 22 DT C6 C 13 140.030 . . 1 . . 1716 . A 22 DT C6 . 34895 1 173 . 1 . 1 23 23 DT H1' H 1 5.743 0.004 . 1 . . 1559 . A 23 DT H1' . 34895 1 174 . 1 . 1 23 23 DT H2' H 1 1.185 0.003 . 1 . . 1586 . A 23 DT H2' . 34895 1 175 . 1 . 1 23 23 DT H2'' H 1 1.779 0.001 . 1 . . 1587 . A 23 DT H2'' . 34895 1 176 . 1 . 1 23 23 DT H3' H 1 4.591 0.002 . 1 . . 1667 . A 23 DT H3' . 34895 1 177 . 1 . 1 23 23 DT H6 H 1 7.182 0.002 . 1 . . 1558 . A 23 DT H6 . 34895 1 178 . 1 . 1 23 23 DT H71 H 1 1.552 0.005 . 1 . . 1585 . A 23 DT H71 . 34895 1 179 . 1 . 1 23 23 DT H72 H 1 1.552 0.005 . 1 . . 1585 . A 23 DT H72 . 34895 1 180 . 1 . 1 23 23 DT H73 H 1 1.552 0.005 . 1 . . 1585 . A 23 DT H73 . 34895 1 181 . 1 . 1 23 23 DT C6 C 13 138.645 . . 1 . . 1701 . A 23 DT C6 . 34895 1 182 . 1 . 1 24 24 DA H1' H 1 5.789 0.003 . 1 . . 1561 . A 24 DA H1' . 34895 1 183 . 1 . 1 24 24 DA H2 H 1 7.524 0.002 . 1 . . 1672 . A 24 DA H2 . 34895 1 184 . 1 . 1 24 24 DA H2' H 1 2.691 0.008 . 1 . . 1629 . A 24 DA H2' . 34895 1 185 . 1 . 1 24 24 DA H2'' H 1 2.703 0.004 . 1 . . 1630 . A 24 DA H2'' . 34895 1 186 . 1 . 1 24 24 DA H3' H 1 4.924 0.001 . 1 . . 1668 . A 24 DA H3' . 34895 1 187 . 1 . 1 24 24 DA H8 H 1 7.856 0.002 . 1 . . 1560 . A 24 DA H8 . 34895 1 188 . 1 . 1 24 24 DA C2 C 13 155.256 . . 1 . . 1694 . A 24 DA C2 . 34895 1 189 . 1 . 1 24 24 DA C8 C 13 141.215 . . 1 . . 1714 . A 24 DA C8 . 34895 1 190 . 1 . 1 25 25 DG H1 H 1 11.040 0.003 . 1 . . 1677 . A 25 DG H1 . 34895 1 191 . 1 . 1 25 25 DG H1' H 1 6.023 0.003 . 1 . . 1553 . A 25 DG H1' . 34895 1 192 . 1 . 1 25 25 DG H2' H 1 3.318 0.004 . 1 . . 1607 . A 25 DG H2' . 34895 1 193 . 1 . 1 25 25 DG H2'' H 1 2.920 0.001 . 1 . . 1606 . A 25 DG H2'' . 34895 1 194 . 1 . 1 25 25 DG H3' H 1 4.889 0.002 . 1 . . 1669 . A 25 DG H3' . 34895 1 195 . 1 . 1 25 25 DG H8 H 1 7.348 0.002 . 1 . . 1552 . A 25 DG H8 . 34895 1 196 . 1 . 1 25 25 DG C8 C 13 142.110 . . 1 . . 1708 . A 25 DG C8 . 34895 1 197 . 1 . 1 26 26 DG H1 H 1 12.027 0.004 . 1 . . 1681 . A 26 DG H1 . 34895 1 198 . 1 . 1 26 26 DG H1' H 1 5.832 0.003 . 1 . . 1554 . A 26 DG H1' . 34895 1 199 . 1 . 1 26 26 DG H2' H 1 2.488 0.004 . 1 . . 1632 . A 26 DG H2' . 34895 1 200 . 1 . 1 26 26 DG H2'' H 1 2.751 0.004 . 1 . . 1633 . A 26 DG H2'' . 34895 1 201 . 1 . 1 26 26 DG H3' H 1 5.045 0.002 . 1 . . 1651 . A 26 DG H3' . 34895 1 202 . 1 . 1 26 26 DG H8 H 1 7.826 0.002 . 1 . . 1555 . A 26 DG H8 . 34895 1 203 . 1 . 1 26 26 DG C8 C 13 138.325 . . 1 . . 1723 . A 26 DG C8 . 34895 1 204 . 1 . 1 27 27 DG H1 H 1 10.972 0.003 . 1 . . 1680 . A 27 DG H1 . 34895 1 205 . 1 . 1 27 27 DG H1' H 1 6.038 0.003 . 1 . . 1546 . A 27 DG H1' . 34895 1 206 . 1 . 1 27 27 DG H2' H 1 2.723 0.003 . 1 . . 1627 . A 27 DG H2' . 34895 1 207 . 1 . 1 27 27 DG H2'' H 1 2.469 0.004 . 1 . . 1628 . A 27 DG H2'' . 34895 1 208 . 1 . 1 27 27 DG H3' H 1 4.945 0.006 . 1 . . 1670 . A 27 DG H3' . 34895 1 209 . 1 . 1 27 27 DG H8 H 1 7.849 0.003 . 1 . . 1547 . A 27 DG H8 . 34895 1 210 . 1 . 1 27 27 DG C8 C 13 138.109 . . 1 . . 1725 . A 27 DG C8 . 34895 1 211 . 1 . 1 28 28 DT H1' H 1 6.453 0.004 . 1 . . 1499 . A 28 DT H1' . 34895 1 212 . 1 . 1 28 28 DT H2' H 1 2.329 0.003 . 1 . . 1620 . A 28 DT H2' . 34895 1 213 . 1 . 1 28 28 DT H2'' H 1 2.592 0.002 . 1 . . 1621 . A 28 DT H2'' . 34895 1 214 . 1 . 1 28 28 DT H3' H 1 4.962 0.005 . 1 . . 1639 . A 28 DT H3' . 34895 1 215 . 1 . 1 28 28 DT H6 H 1 7.692 0.003 . 1 . . 1498 . A 28 DT H6 . 34895 1 216 . 1 . 1 28 28 DT H71 H 1 1.751 0.002 . 1 . . 1583 . A 28 DT H71 . 34895 1 217 . 1 . 1 28 28 DT H72 H 1 1.751 0.002 . 1 . . 1583 . A 28 DT H72 . 34895 1 218 . 1 . 1 28 28 DT H73 H 1 1.751 0.002 . 1 . . 1583 . A 28 DT H73 . 34895 1 219 . 1 . 1 28 28 DT C6 C 13 140.475 . . 1 . . 1713 . A 28 DT C6 . 34895 1 220 . 1 . 1 29 29 DT H1' H 1 6.489 0.003 . 1 . . 1501 . A 29 DT H1' . 34895 1 221 . 1 . 1 29 29 DT H2' H 1 2.258 0.001 . 1 . . 1634 . A 29 DT H2' . 34895 1 222 . 1 . 1 29 29 DT H2'' H 1 2.416 0.004 . 1 . . 1635 . A 29 DT H2'' . 34895 1 223 . 1 . 1 29 29 DT H3' H 1 4.811 0.004 . 1 . . 1640 . A 29 DT H3' . 34895 1 224 . 1 . 1 29 29 DT H6 H 1 7.841 0.003 . 1 . . 1500 . A 29 DT H6 . 34895 1 225 . 1 . 1 29 29 DT H71 H 1 2.079 0.001 . 1 . . 1618 . A 29 DT H71 . 34895 1 226 . 1 . 1 29 29 DT H72 H 1 2.079 0.001 . 1 . . 1618 . A 29 DT H72 . 34895 1 227 . 1 . 1 29 29 DT H73 H 1 2.079 0.001 . 1 . . 1618 . A 29 DT H73 . 34895 1 228 . 1 . 1 29 29 DT C6 C 13 139.600 . . 1 . . 1717 . A 29 DT C6 . 34895 1 229 . 1 . 1 30 30 A1H3G H1 H 1 14.340 0.003 . 1 . . 1686 . A 30 A1H3G H1 . 34895 1 230 . 1 . 1 30 30 A1H3G H1' H 1 5.359 0.002 . 1 . . 1505 . A 30 A1H3G H1' . 34895 1 231 . 1 . 1 30 30 A1H3G H2 H 1 7.180 0.003 . 1 . . 1506 . A 30 A1H3G H2 . 34895 1 232 . 1 . 1 30 30 A1H3G H2' H 1 2.031 0.003 . 1 . . 1616 . A 30 A1H3G H2' . 34895 1 233 . 1 . 1 30 30 A1H3G H2'' H 1 2.423 0.003 . 1 . . 1617 . A 30 A1H3G H2'' . 34895 1 234 . 1 . 1 30 30 A1H3G H3' H 1 4.783 0.001 . 1 . . 1671 . A 30 A1H3G H3' . 34895 1 235 . 1 . 1 30 30 A1H3G H8 H 1 7.989 0.002 . 1 . . 1502 . A 30 A1H3G H8 . 34895 1 236 . 1 . 1 30 30 A1H3G H61 H 1 8.728 0.004 . 1 . . 1830 . A 30 A1H3G H61 . 34895 1 237 . 1 . 1 30 30 A1H3G H62 H 1 11.466 0.003 . 1 . . 1831 . A 30 A1H3G H62 . 34895 1 238 . 1 . 1 30 30 A1H3G C2 C 13 145.981 . . 1 . . 1690 . A 30 A1H3G C2 . 34895 1 239 . 1 . 1 30 30 A1H3G C8 C 13 143.484 . . 1 . . 1695 . A 30 A1H3G C8 . 34895 1 240 . 1 . 1 31 31 DG H1 H 1 10.948 0.004 . 1 . . 1678 . A 31 DG H1 . 34895 1 241 . 1 . 1 31 31 DG H1' H 1 6.215 0.002 . 1 . . 1545 . A 31 DG H1' . 34895 1 242 . 1 . 1 31 31 DG H2' H 1 3.680 0.003 . 1 . . 1610 . A 31 DG H2' . 34895 1 243 . 1 . 1 31 31 DG H2'' H 1 3.188 0.003 . 1 . . 1608 . A 31 DG H2'' . 34895 1 244 . 1 . 1 31 31 DG H3' H 1 4.972 0.0 . 1 . . 1643 . A 31 DG H3' . 34895 1 245 . 1 . 1 31 31 DG H8 H 1 7.152 0.002 . 1 . . 1544 . A 31 DG H8 . 34895 1 246 . 1 . 1 31 31 DG C8 C 13 141.664 . . 1 . . 1698 . A 31 DG C8 . 34895 1 247 . 1 . 1 32 32 DG H1 H 1 11.176 0.004 . 1 . . 1679 . A 32 DG H1 . 34895 1 248 . 1 . 1 32 32 DG H1' H 1 5.994 0.003 . 1 . . 1542 . A 32 DG H1' . 34895 1 249 . 1 . 1 32 32 DG H2' H 1 2.732 0.003 . 1 . . 1637 . A 32 DG H2' . 34895 1 250 . 1 . 1 32 32 DG H2'' H 1 2.542 0.002 . 1 . . 1636 . A 32 DG H2'' . 34895 1 251 . 1 . 1 32 32 DG H3' H 1 5.111 0.005 . 1 . . 1660 . A 32 DG H3' . 34895 1 252 . 1 . 1 32 32 DG H8 H 1 7.407 0.004 . 1 . . 1543 . A 32 DG H8 . 34895 1 253 . 1 . 1 32 32 DG C8 C 13 140.738 . . 1 . . 1705 . A 32 DG C8 . 34895 1 254 . 1 . 1 33 33 DG H1 H 1 11.740 0.004 . 1 . . 1673 . A 33 DG H1 . 34895 1 255 . 1 . 1 33 33 DG H1' H 1 6.178 0.005 . 1 . . 1541 . A 33 DG H1' . 34895 1 256 . 1 . 1 33 33 DG H2' H 1 2.617 0.006 . 1 . . 1638 . A 33 DG H2' . 34895 1 257 . 1 . 1 33 33 DG H2'' H 1 2.290 0.002 . 1 . . 1604 . A 33 DG H2'' . 34895 1 258 . 1 . 1 33 33 DG H3' H 1 4.708 . . 1 . . 1659 . A 33 DG H3' . 34895 1 259 . 1 . 1 33 33 DG H8 H 1 8.088 0.001 . 1 . . 1540 . A 33 DG H8 . 34895 1 260 . 1 . 1 33 33 DG C8 C 13 139.066 . . 1 . . 1718 . A 33 DG C8 . 34895 1 stop_ save_