################################### # 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 30804 _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 NOESY' . . . 30804 1 2 '2D NOESY' . . . 30804 1 3 '2D NOESY' . . . 30804 1 4 '2D DQF-COSY' . . . 30804 1 5 '2D 1H-13C HSQC aromatic' . . . 30804 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 DT H1' H 1 5.803 0.002 . 1 . . 1656 . A 4 DT H1' . 30804 1 2 . 1 . 1 1 1 DT H2' H 1 1.619 0.004 . 1 . . 1658 . A 4 DT H2' . 30804 1 3 . 1 . 1 1 1 DT H2'' H 1 2.037 0.003 . 1 . . 1657 . A 4 DT H2'' . 30804 1 4 . 1 . 1 1 1 DT H3' H 1 4.444 0.002 . 1 . . 1660 . A 4 DT H3' . 30804 1 5 . 1 . 1 1 1 DT H4' H 1 3.827 0.003 . 1 . . 1758 . A 4 DT H4' . 30804 1 6 . 1 . 1 1 1 DT H5' H 1 3.478 0.004 . 2 . . 1783 . A 4 DT H5' . 30804 1 7 . 1 . 1 1 1 DT H5'' H 1 3.481 0.002 . 2 . . 1784 . A 4 DT H5'' . 30804 1 8 . 1 . 1 1 1 DT H6 H 1 7.200 0.003 . 1 . . 1655 . A 4 DT H6 . 30804 1 9 . 1 . 1 1 1 DT H71 H 1 1.600 0.001 . 1 . . 1719 . A 4 DT H71 . 30804 1 10 . 1 . 1 1 1 DT H72 H 1 1.600 0.001 . 1 . . 1719 . A 4 DT H72 . 30804 1 11 . 1 . 1 1 1 DT H73 H 1 1.600 0.001 . 1 . . 1719 . A 4 DT H73 . 30804 1 12 . 1 . 1 1 1 DT C6 C 13 139.894 . . 1 . . 1856 . A 4 DT C6 . 30804 1 13 . 1 . 1 2 2 DG H1' H 1 5.621 0.001 . 1 . . 1661 . A 5 DG H1' . 30804 1 14 . 1 . 1 2 2 DG H2' H 1 2.303 0.004 . 1 . . 1663 . A 5 DG H2' . 30804 1 15 . 1 . 1 2 2 DG H2'' H 1 2.306 0.006 . 1 . . 1664 . A 5 DG H2'' . 30804 1 16 . 1 . 1 2 2 DG H3' H 1 4.713 0.003 . 1 . . 1662 . A 5 DG H3' . 30804 1 17 . 1 . 1 2 2 DG H4' H 1 3.983 0.003 . 1 . . 1759 . A 5 DG H4' . 30804 1 18 . 1 . 1 2 2 DG H5' H 1 3.737 0.003 . 2 . . 1786 . A 5 DG H5' . 30804 1 19 . 1 . 1 2 2 DG H5'' H 1 3.620 0.002 . 2 . . 1787 . A 5 DG H5'' . 30804 1 20 . 1 . 1 2 2 DG H8 H 1 7.533 0.001 . 1 . . 1659 . A 5 DG H8 . 30804 1 21 . 1 . 1 2 2 DG C8 C 13 139.565 . . 1 . . 1857 . A 5 DG C8 . 30804 1 22 . 1 . 1 3 3 DA H1' H 1 6.070 0.003 . 1 . . 1666 . A 6 DA H1' . 30804 1 23 . 1 . 1 3 3 DA H2 H 1 7.882 0.001 . 1 . . 1804 . A 6 DA H2 . 30804 1 24 . 1 . 1 3 3 DA H2' H 1 2.799 0.002 . 1 . . 1741 . A 6 DA H2' . 30804 1 25 . 1 . 1 3 3 DA H2'' H 1 2.772 0.002 . 1 . . 1740 . A 6 DA H2'' . 30804 1 26 . 1 . 1 3 3 DA H3' H 1 4.961 0.003 . 1 . . 1733 . A 6 DA H3' . 30804 1 27 . 1 . 1 3 3 DA H4' H 1 4.361 0.002 . 1 . . 1773 . A 6 DA H4' . 30804 1 28 . 1 . 1 3 3 DA H5' H 1 4.052 0.002 . 2 . . 1781 . A 6 DA H5' . 30804 1 29 . 1 . 1 3 3 DA H5'' H 1 3.980 0.002 . 2 . . 1782 . A 6 DA H5'' . 30804 1 30 . 1 . 1 3 3 DA H8 H 1 8.017 0.002 . 1 . . 1665 . A 6 DA H8 . 30804 1 31 . 1 . 1 3 3 DA C2 C 13 155.141 . . 1 . . 1932 . A 6 DA C2 . 30804 1 32 . 1 . 1 3 3 DA C8 C 13 142.505 . . 1 . . 1853 . A 6 DA C8 . 30804 1 33 . 1 . 1 4 4 DG H1 H 1 11.564 0.003 . 1 . . 1800 . A 7 DG H1 . 30804 1 34 . 1 . 1 4 4 DG H1' H 1 6.045 0.001 . 1 . . 1736 . A 7 DG H1' . 30804 1 35 . 1 . 1 4 4 DG H2' H 1 2.731 0.003 . 1 . . 1726 . A 7 DG H2' . 30804 1 36 . 1 . 1 4 4 DG H2'' H 1 2.987 0.002 . 1 . . 1725 . A 7 DG H2'' . 30804 1 37 . 1 . 1 4 4 DG H3' H 1 5.021 0.003 . 1 . . 1735 . A 7 DG H3' . 30804 1 38 . 1 . 1 4 4 DG H4' H 1 4.504 0.001 . 1 . . 1770 . A 7 DG H4' . 30804 1 39 . 1 . 1 4 4 DG H5' H 1 4.212 0.003 . 2 . . 1779 . A 7 DG H5' . 30804 1 40 . 1 . 1 4 4 DG H5'' H 1 4.164 0.003 . 2 . . 1780 . A 7 DG H5'' . 30804 1 41 . 1 . 1 4 4 DG H8 H 1 8.050 0.002 . 1 . . 1734 . A 7 DG H8 . 30804 1 42 . 1 . 1 4 4 DG C8 C 13 138.963 . . 1 . . 1854 . A 7 DG C8 . 30804 1 43 . 1 . 1 5 5 DG H1 H 1 11.084 0.002 . 1 . . 1801 . A 8 DG H1 . 30804 1 44 . 1 . 1 5 5 DG H1' H 1 6.110 0.001 . 1 . . 1678 . A 8 DG H1' . 30804 1 45 . 1 . 1 5 5 DG H2' H 1 2.601 0.003 . 1 . . 1724 . A 8 DG H2' . 30804 1 46 . 1 . 1 5 5 DG H2'' H 1 2.873 0.002 . 1 . . 1723 . A 8 DG H2'' . 30804 1 47 . 1 . 1 5 5 DG H3' H 1 5.015 0.003 . 1 . . 1739 . A 8 DG H3' . 30804 1 48 . 1 . 1 5 5 DG H4' H 1 4.548 0.001 . 1 . . 1836 . A 8 DG H4' . 30804 1 49 . 1 . 1 5 5 DG H5' H 1 4.300 0.001 . 2 . . 1837 . A 8 DG H5' . 30804 1 50 . 1 . 1 5 5 DG H5'' H 1 4.323 0.002 . 2 . . 1838 . A 8 DG H5'' . 30804 1 51 . 1 . 1 5 5 DG H8 H 1 7.683 0.001 . 1 . . 1737 . A 8 DG H8 . 30804 1 52 . 1 . 1 5 5 DG C8 C 13 137.963 . . 1 . . 1875 . A 8 DG C8 . 30804 1 53 . 1 . 1 6 6 DG H1 H 1 10.812 0.002 . 1 . . 1802 . A 9 DG H1 . 30804 1 54 . 1 . 1 6 6 DG H1' H 1 6.273 0.002 . 1 . . 1677 . A 9 DG H1' . 30804 1 55 . 1 . 1 6 6 DG H2' H 1 2.624 0.003 . 1 . . 1744 . A 9 DG H2' . 30804 1 56 . 1 . 1 6 6 DG H2'' H 1 2.560 0.003 . 1 . . 1743 . A 9 DG H2'' . 30804 1 57 . 1 . 1 6 6 DG H3' H 1 5.129 0.001 . 1 . . 1738 . A 9 DG H3' . 30804 1 58 . 1 . 1 6 6 DG H4' H 1 4.574 0.005 . 1 . . 1764 . A 9 DG H4' . 30804 1 59 . 1 . 1 6 6 DG H5' H 1 4.341 0.003 . 2 . . 1788 . A 9 DG H5' . 30804 1 60 . 1 . 1 6 6 DG H5'' H 1 4.300 0.002 . 2 . . 1789 . A 9 DG H5'' . 30804 1 61 . 1 . 1 6 6 DG H8 H 1 7.585 0.002 . 1 . . 1676 . A 9 DG H8 . 30804 1 62 . 1 . 1 6 6 DG C8 C 13 137.998 . . 1 . . 1861 . A 9 DG C8 . 30804 1 63 . 1 . 1 7 7 DT H1' H 1 6.534 0.002 . 1 . . 1753 . A 10 DT H1' . 30804 1 64 . 1 . 1 7 7 DT H2' H 1 2.485 0.0 . 1 . . 1816 . A 10 DT H2' . 30804 1 65 . 1 . 1 7 7 DT H2'' H 1 2.673 0.004 . 1 . . 1815 . A 10 DT H2'' . 30804 1 66 . 1 . 1 7 7 DT H3' H 1 5.098 0.003 . 1 . . 1750 . A 10 DT H3' . 30804 1 67 . 1 . 1 7 7 DT H4' H 1 4.583 0.0 . 1 . . 1763 . A 10 DT H4' . 30804 1 68 . 1 . 1 7 7 DT H5' H 1 4.338 0.004 . 2 . . 1807 . A 10 DT H5' . 30804 1 69 . 1 . 1 7 7 DT H5'' H 1 4.250 0.002 . 2 . . 1808 . A 10 DT H5'' . 30804 1 70 . 1 . 1 7 7 DT H6 H 1 7.878 0.002 . 1 . . 1866 . A 10 DT H6 . 30804 1 71 . 1 . 1 7 7 DT H71 H 1 2.011 0.002 . 1 . . 1754 . A 10 DT H71 . 30804 1 72 . 1 . 1 7 7 DT H72 H 1 2.011 0.002 . 1 . . 1754 . A 10 DT H72 . 30804 1 73 . 1 . 1 7 7 DT H73 H 1 2.011 0.002 . 1 . . 1754 . A 10 DT H73 . 30804 1 74 . 1 . 1 7 7 DT C6 C 13 140.235 . . 1 . . 1867 . A 10 DT C6 . 30804 1 75 . 1 . 1 8 8 DG H1 H 1 11.298 0.002 . 1 . . 1803 . A 11 DG H1 . 30804 1 76 . 1 . 1 8 8 DG H1' H 1 5.727 0.001 . 1 . . 1695 . A 11 DG H1' . 30804 1 77 . 1 . 1 8 8 DG H2' H 1 2.276 0.001 . 1 . . 1697 . A 11 DG H2' . 30804 1 78 . 1 . 1 8 8 DG H2'' H 1 2.789 0.003 . 1 . . 1696 . A 11 DG H2'' . 30804 1 79 . 1 . 1 8 8 DG H3' H 1 5.044 0.001 . 1 . . 1698 . A 11 DG H3' . 30804 1 80 . 1 . 1 8 8 DG H4' H 1 4.364 0.003 . 1 . . 1769 . A 11 DG H4' . 30804 1 81 . 1 . 1 8 8 DG H5' H 1 4.247 0.002 . 2 . . 1839 . A 11 DG H5' . 30804 1 82 . 1 . 1 8 8 DG H5'' H 1 4.313 0.003 . 2 . . 1840 . A 11 DG H5'' . 30804 1 83 . 1 . 1 8 8 DG H8 H 1 7.789 0.001 . 1 . . 1694 . A 11 DG H8 . 30804 1 84 . 1 . 1 8 8 DG C8 C 13 138.531 . . 1 . . 1871 . A 11 DG C8 . 30804 1 85 . 1 . 1 9 9 DG H1 H 1 11.215 0.0 . 1 . . 1799 . A 12 DG H1 . 30804 1 86 . 1 . 1 9 9 DG H1' H 1 6.053 0.001 . 1 . . 1699 . A 12 DG H1' . 30804 1 87 . 1 . 1 9 9 DG H2' H 1 2.595 0.002 . 1 . . 1722 . A 12 DG H2' . 30804 1 88 . 1 . 1 9 9 DG H2'' H 1 2.803 0.003 . 1 . . 1721 . A 12 DG H2'' . 30804 1 89 . 1 . 1 9 9 DG H3' H 1 5.046 0.002 . 1 . . 1745 . A 12 DG H3' . 30804 1 90 . 1 . 1 9 9 DG H4' H 1 4.438 0.002 . 1 . . 1772 . A 12 DG H4' . 30804 1 91 . 1 . 1 9 9 DG H5' H 1 4.177 0.0 . 2 . . 1832 . A 12 DG H5' . 30804 1 92 . 1 . 1 9 9 DG H5'' H 1 4.251 0.001 . 2 . . 1833 . A 12 DG H5'' . 30804 1 93 . 1 . 1 9 9 DG H8 H 1 7.816 0.001 . 1 . . 1868 . A 12 DG H8 . 30804 1 94 . 1 . 1 9 9 DG C8 C 13 138.733 . . 1 . . 1869 . A 12 DG C8 . 30804 1 95 . 1 . 1 10 10 DG H1 H 1 10.971 0.003 . 1 . . 1798 . A 13 DG H1 . 30804 1 96 . 1 . 1 10 10 DG H1' H 1 6.279 0.002 . 1 . . 1700 . A 13 DG H1' . 30804 1 97 . 1 . 1 10 10 DG H2' H 1 2.734 0.001 . 1 . . 1746 . A 13 DG H2' . 30804 1 98 . 1 . 1 10 10 DG H2'' H 1 2.606 0.003 . 1 . . 1747 . A 13 DG H2'' . 30804 1 99 . 1 . 1 10 10 DG H3' H 1 5.042 0.001 . 1 . . 1748 . A 13 DG H3' . 30804 1 100 . 1 . 1 10 10 DG H4' H 1 4.469 0.002 . 1 . . 1765 . A 13 DG H4' . 30804 1 101 . 1 . 1 10 10 DG H5' H 1 4.253 . . 2 . . 1841 . A 13 DG H5' . 30804 1 102 . 1 . 1 10 10 DG H5'' H 1 4.276 0.002 . 2 . . 1842 . A 13 DG H5'' . 30804 1 103 . 1 . 1 10 10 DG H8 H 1 7.778 0.001 . 1 . . 1872 . A 13 DG H8 . 30804 1 104 . 1 . 1 10 10 DG C8 C 13 138.375 . . 1 . . 1873 . A 13 DG C8 . 30804 1 105 . 1 . 1 11 11 DT H1' H 1 6.267 0.003 . 1 . . 1702 . A 14 DT H1' . 30804 1 106 . 1 . 1 11 11 DT H2' H 1 2.235 0.002 . 1 . . 1704 . A 14 DT H2' . 30804 1 107 . 1 . 1 11 11 DT H2'' H 1 2.477 0.001 . 1 . . 1703 . A 14 DT H2'' . 30804 1 108 . 1 . 1 11 11 DT H3' H 1 4.743 0.001 . 1 . . 1706 . A 14 DT H3' . 30804 1 109 . 1 . 1 11 11 DT H4' H 1 3.943 0.002 . 1 . . 1761 . A 14 DT H4' . 30804 1 110 . 1 . 1 11 11 DT H5' H 1 3.815 0.004 . 2 . . 1809 . A 14 DT H5' . 30804 1 111 . 1 . 1 11 11 DT H5'' H 1 3.779 0.001 . 2 . . 1810 . A 14 DT H5'' . 30804 1 112 . 1 . 1 11 11 DT H6 H 1 7.679 0.001 . 1 . . 1701 . A 14 DT H6 . 30804 1 113 . 1 . 1 11 11 DT H71 H 1 1.959 0.001 . 1 . . 1705 . A 14 DT H71 . 30804 1 114 . 1 . 1 11 11 DT H72 H 1 1.959 0.001 . 1 . . 1705 . A 14 DT H72 . 30804 1 115 . 1 . 1 11 11 DT H73 H 1 1.959 0.001 . 1 . . 1705 . A 14 DT H73 . 30804 1 116 . 1 . 1 11 11 DT C6 C 13 140.418 . . 1 . . 1874 . A 14 DT C6 . 30804 1 117 . 1 . 1 12 12 DA H1' H 1 6.686 0.002 . 1 . . 1651 . A 15 DA H1' . 30804 1 118 . 1 . 1 12 12 DA H2 H 1 8.375 0.001 . 1 . . 1667 . A 15 DA H2 . 30804 1 119 . 1 . 1 12 12 DA H2' H 1 3.088 0.003 . 1 . . 1653 . A 15 DA H2' . 30804 1 120 . 1 . 1 12 12 DA H2'' H 1 2.968 0.002 . 1 . . 1652 . A 15 DA H2'' . 30804 1 121 . 1 . 1 12 12 DA H3' H 1 5.200 0.003 . 1 . . 1654 . A 15 DA H3' . 30804 1 122 . 1 . 1 12 12 DA H4' H 1 4.609 0.004 . 1 . . 1756 . A 15 DA H4' . 30804 1 123 . 1 . 1 12 12 DA H5' H 1 4.215 0.004 . 2 . . 1774 . A 15 DA H5' . 30804 1 124 . 1 . 1 12 12 DA H5'' H 1 4.305 0.002 . 2 . . 1776 . A 15 DA H5'' . 30804 1 125 . 1 . 1 12 12 DA H8 H 1 8.570 0.001 . 1 . . 1650 . A 15 DA H8 . 30804 1 126 . 1 . 1 12 12 DA C2 C 13 155.869 . . 1 . . 1931 . A 15 DA C2 . 30804 1 127 . 1 . 1 12 12 DA C8 C 13 143.712 . . 1 . . 1851 . A 15 DA C8 . 30804 1 128 . 1 . 1 13 13 DG H1 H 1 11.607 0.002 . 1 . . 1794 . A 16 DG H1 . 30804 1 129 . 1 . 1 13 13 DG H1' H 1 5.951 0.001 . 1 . . 1715 . A 16 DG H1' . 30804 1 130 . 1 . 1 13 13 DG H2' H 1 2.511 0.002 . 1 . . 1717 . A 16 DG H2' . 30804 1 131 . 1 . 1 13 13 DG H2'' H 1 2.900 0.002 . 1 . . 1716 . A 16 DG H2'' . 30804 1 132 . 1 . 1 13 13 DG H3' H 1 5.009 0.002 . 1 . . 1718 . A 16 DG H3' . 30804 1 133 . 1 . 1 13 13 DG H4' H 1 4.504 0.002 . 1 . . 1766 . A 16 DG H4' . 30804 1 134 . 1 . 1 13 13 DG H8 H 1 7.881 0.001 . 1 . . 1863 . A 16 DG H8 . 30804 1 135 . 1 . 1 13 13 DG C8 C 13 138.650 . . 1 . . 1864 . A 16 DG C8 . 30804 1 136 . 1 . 1 14 14 DG H1 H 1 11.066 0.003 . 1 . . 1793 . A 17 DG H1 . 30804 1 137 . 1 . 1 14 14 DG H1' H 1 6.126 0.003 . 1 . . 1712 . A 17 DG H1' . 30804 1 138 . 1 . 1 14 14 DG H2' H 1 2.609 0.002 . 1 . . 1713 . A 17 DG H2' . 30804 1 139 . 1 . 1 14 14 DG H2'' H 1 2.910 0.001 . 1 . . 1714 . A 17 DG H2'' . 30804 1 140 . 1 . 1 14 14 DG H3' H 1 5.020 0.004 . 1 . . 1711 . A 17 DG H3' . 30804 1 141 . 1 . 1 14 14 DG H4' H 1 4.549 0.002 . 1 . . 1819 . A 17 DG H4' . 30804 1 142 . 1 . 1 14 14 DG H5' H 1 4.231 . . 2 . . 1834 . A 17 DG H5' . 30804 1 143 . 1 . 1 14 14 DG H5'' H 1 4.260 0.001 . 2 . . 1835 . A 17 DG H5'' . 30804 1 144 . 1 . 1 14 14 DG H8 H 1 7.671 0.002 . 1 . . 1876 . A 17 DG H8 . 30804 1 145 . 1 . 1 14 14 DG C8 C 13 138.000 . . 1 . . 1877 . A 17 DG C8 . 30804 1 146 . 1 . 1 15 15 DG H1 H 1 10.845 0.001 . 1 . . 1792 . A 18 DG H1 . 30804 1 147 . 1 . 1 15 15 DG H1' H 1 6.372 0.002 . 1 . . 1708 . A 18 DG H1' . 30804 1 148 . 1 . 1 15 15 DG H2' H 1 2.725 0.004 . 1 . . 1742 . A 18 DG H2' . 30804 1 149 . 1 . 1 15 15 DG H2'' H 1 2.639 0.003 . 1 . . 1709 . A 18 DG H2'' . 30804 1 150 . 1 . 1 15 15 DG H3' H 1 5.158 0.004 . 1 . . 1710 . A 18 DG H3' . 30804 1 151 . 1 . 1 15 15 DG H4' H 1 4.601 0.003 . 1 . . 1760 . A 18 DG H4' . 30804 1 152 . 1 . 1 15 15 DG H5' H 1 4.315 0.001 . 2 . . 1817 . A 18 DG H5' . 30804 1 153 . 1 . 1 15 15 DG H5'' H 1 4.376 0.001 . 2 . . 1818 . A 18 DG H5'' . 30804 1 154 . 1 . 1 15 15 DG H8 H 1 7.731 0.002 . 1 . . 1707 . A 18 DG H8 . 30804 1 155 . 1 . 1 15 15 DG C8 C 13 138.220 . . 1 . . 1860 . A 18 DG C8 . 30804 1 156 . 1 . 1 16 16 DT H1' H 1 6.543 0.001 . 1 . . 1752 . A 19 DT H1' . 30804 1 157 . 1 . 1 16 16 DT H2' H 1 2.492 0.001 . 1 . . 1814 . A 19 DT H2' . 30804 1 158 . 1 . 1 16 16 DT H2'' H 1 2.685 0.001 . 1 . . 1813 . A 19 DT H2'' . 30804 1 159 . 1 . 1 16 16 DT H3' H 1 5.104 0.004 . 1 . . 1751 . A 19 DT H3' . 30804 1 160 . 1 . 1 16 16 DT H4' H 1 4.611 0.0 . 1 . . 1762 . A 19 DT H4' . 30804 1 161 . 1 . 1 16 16 DT H5' H 1 4.368 0.001 . 2 . . 1805 . A 19 DT H5' . 30804 1 162 . 1 . 1 16 16 DT H5'' H 1 4.285 . . 2 . . 1806 . A 19 DT H5'' . 30804 1 163 . 1 . 1 16 16 DT H6 H 1 7.886 0.001 . 1 . . 1749 . A 19 DT H6 . 30804 1 164 . 1 . 1 16 16 DT H71 H 1 2.014 0.003 . 1 . . 1755 . A 19 DT H71 . 30804 1 165 . 1 . 1 16 16 DT H72 H 1 2.014 0.003 . 1 . . 1755 . A 19 DT H72 . 30804 1 166 . 1 . 1 16 16 DT H73 H 1 2.014 0.003 . 1 . . 1755 . A 19 DT H73 . 30804 1 167 . 1 . 1 16 16 DT C6 C 13 140.280 . . 1 . . 1865 . A 19 DT C6 . 30804 1 168 . 1 . 1 17 17 DG H1 H 1 11.220 0.002 . 1 . . 1797 . A 20 DG H1 . 30804 1 169 . 1 . 1 17 17 DG H1' H 1 5.872 0.001 . 1 . . 1689 . A 20 DG H1' . 30804 1 170 . 1 . 1 17 17 DG H2' H 1 2.301 0.003 . 1 . . 1691 . A 20 DG H2' . 30804 1 171 . 1 . 1 17 17 DG H2'' H 1 2.752 0.002 . 1 . . 1690 . A 20 DG H2'' . 30804 1 172 . 1 . 1 17 17 DG H3' H 1 5.058 0.001 . 1 . . 1692 . A 20 DG H3' . 30804 1 173 . 1 . 1 17 17 DG H4' H 1 4.443 0.002 . 1 . . 1757 . A 20 DG H4' . 30804 1 174 . 1 . 1 17 17 DG H5' H 1 4.284 0.001 . 2 . . 1843 . A 20 DG H5' . 30804 1 175 . 1 . 1 17 17 DG H5'' H 1 4.343 0.001 . 2 . . 1844 . A 20 DG H5'' . 30804 1 176 . 1 . 1 17 17 DG H8 H 1 7.810 0.001 . 1 . . 1693 . A 20 DG H8 . 30804 1 177 . 1 . 1 17 17 DG C8 C 13 138.183 . . 1 . . 1870 . A 20 DG C8 . 30804 1 178 . 1 . 1 18 18 DG H1 H 1 11.237 0.001 . 1 . . 1796 . A 21 DG H1 . 30804 1 179 . 1 . 1 18 18 DG H1' H 1 5.991 0.001 . 1 . . 1681 . A 21 DG H1' . 30804 1 180 . 1 . 1 18 18 DG H2' H 1 2.650 0.007 . 1 . . 1683 . A 21 DG H2' . 30804 1 181 . 1 . 1 18 18 DG H2'' H 1 2.715 0.001 . 1 . . 1682 . A 21 DG H2'' . 30804 1 182 . 1 . 1 18 18 DG H3' H 1 5.093 0.002 . 1 . . 1684 . A 21 DG H3' . 30804 1 183 . 1 . 1 18 18 DG H4' H 1 4.534 0.004 . 1 . . 1771 . A 21 DG H4' . 30804 1 184 . 1 . 1 18 18 DG H5' H 1 4.194 0.002 . 2 . . 1790 . A 21 DG H5' . 30804 1 185 . 1 . 1 18 18 DG H5'' H 1 4.271 0.003 . 2 . . 1791 . A 21 DG H5'' . 30804 1 186 . 1 . 1 18 18 DG H8 H 1 7.863 0.002 . 1 . . 1688 . A 21 DG H8 . 30804 1 187 . 1 . 1 18 18 DG C8 C 13 138.705 . . 1 . . 1862 . A 21 DG C8 . 30804 1 188 . 1 . 1 19 19 DG H1 H 1 10.880 0.002 . 1 . . 1795 . A 22 DG H1 . 30804 1 189 . 1 . 1 19 19 DG H1' H 1 6.118 0.002 . 1 . . 1680 . A 22 DG H1' . 30804 1 190 . 1 . 1 19 19 DG H2' H 1 2.332 0.005 . 1 . . 1685 . A 22 DG H2' . 30804 1 191 . 1 . 1 19 19 DG H2'' H 1 2.580 0.004 . 1 . . 1686 . A 22 DG H2'' . 30804 1 192 . 1 . 1 19 19 DG H3' H 1 4.989 0.005 . 1 . . 1687 . A 22 DG H3' . 30804 1 193 . 1 . 1 19 19 DG H4' H 1 4.447 0.001 . 1 . . 1846 . A 22 DG H4' . 30804 1 194 . 1 . 1 19 19 DG H5' H 1 4.266 . . 2 . . 1811 . A 22 DG H5' . 30804 1 195 . 1 . 1 19 19 DG H5'' H 1 4.194 0.001 . 2 . . 1812 . A 22 DG H5'' . 30804 1 196 . 1 . 1 19 19 DG H8 H 1 7.510 0.001 . 1 . . 1679 . A 22 DG H8 . 30804 1 197 . 1 . 1 19 19 DG C8 C 13 137.433 . . 1 . . 1858 . A 22 DG C8 . 30804 1 198 . 1 . 1 20 20 DG H1' H 1 5.481 0.003 . 1 . . 1669 . A 23 DG H1' . 30804 1 199 . 1 . 1 20 20 DG H2' H 1 2.423 0.003 . 1 . . 1671 . A 23 DG H2' . 30804 1 200 . 1 . 1 20 20 DG H2'' H 1 2.306 0.002 . 1 . . 1670 . A 23 DG H2'' . 30804 1 201 . 1 . 1 20 20 DG H3' H 1 4.840 0.003 . 1 . . 1672 . A 23 DG H3' . 30804 1 202 . 1 . 1 20 20 DG H4' H 1 4.312 0.002 . 1 . . 1768 . A 23 DG H4' . 30804 1 203 . 1 . 1 20 20 DG H5' H 1 4.143 0.003 . 2 . . 1849 . A 23 DG H5' . 30804 1 204 . 1 . 1 20 20 DG H5'' H 1 4.137 0.004 . 2 . . 1850 . A 23 DG H5'' . 30804 1 205 . 1 . 1 20 20 DG H8 H 1 7.646 0.002 . 1 . . 1668 . A 23 DG H8 . 30804 1 206 . 1 . 1 20 20 DG C8 C 13 139.923 . . 1 . . 1859 . A 23 DG C8 . 30804 1 207 . 1 . 1 21 21 DA H1' H 1 5.744 0.001 . 1 . . 1674 . A 24 DA H1' . 30804 1 208 . 1 . 1 21 21 DA H2 H 1 7.597 0.002 . 1 . . 1935 . A 24 DA H2 . 30804 1 209 . 1 . 1 21 21 DA H2' H 1 2.337 0.003 . 1 . . 1728 . A 24 DA H2' . 30804 1 210 . 1 . 1 21 21 DA H2'' H 1 2.400 0.002 . 1 . . 1727 . A 24 DA H2'' . 30804 1 211 . 1 . 1 21 21 DA H3' H 1 4.789 0.002 . 1 . . 1729 . A 24 DA H3' . 30804 1 212 . 1 . 1 21 21 DA H4' H 1 3.926 0.004 . 1 . . 1785 . A 24 DA H4' . 30804 1 213 . 1 . 1 21 21 DA H5' H 1 3.856 0.002 . 2 . . 1847 . A 24 DA H5' . 30804 1 214 . 1 . 1 21 21 DA H5'' H 1 3.925 0.002 . 2 . . 1848 . A 24 DA H5'' . 30804 1 215 . 1 . 1 21 21 DA H8 H 1 7.990 0.002 . 1 . . 1673 . A 24 DA H8 . 30804 1 216 . 1 . 1 21 21 DA C2 C 13 155.056 . . 1 . . 1936 . A 24 DA C2 . 30804 1 217 . 1 . 1 21 21 DA C8 C 13 142.022 . . 1 . . 1855 . A 24 DA C8 . 30804 1 218 . 1 . 1 22 22 DA H1' H 1 6.007 0.003 . 1 . . 1730 . A 25 DA H1' . 30804 1 219 . 1 . 1 22 22 DA H2 H 1 7.679 0.0 . 1 . . 1933 . A 25 DA H2 . 30804 1 220 . 1 . 1 22 22 DA H2' H 1 2.513 0.002 . 1 . . 1720 . A 25 DA H2' . 30804 1 221 . 1 . 1 22 22 DA H2'' H 1 2.332 0.003 . 1 . . 1731 . A 25 DA H2'' . 30804 1 222 . 1 . 1 22 22 DA H3' H 1 4.571 0.002 . 1 . . 1732 . A 25 DA H3' . 30804 1 223 . 1 . 1 22 22 DA H4' H 1 4.044 0.002 . 1 . . 1775 . A 25 DA H4' . 30804 1 224 . 1 . 1 22 22 DA H5' H 1 3.922 0.002 . 2 . . 1777 . A 25 DA H5' . 30804 1 225 . 1 . 1 22 22 DA H5'' H 1 3.969 0.002 . 2 . . 1778 . A 25 DA H5'' . 30804 1 226 . 1 . 1 22 22 DA H8 H 1 8.059 0.002 . 1 . . 1675 . A 25 DA H8 . 30804 1 227 . 1 . 1 22 22 DA C2 C 13 155.077 . . 1 . . 1934 . A 25 DA C2 . 30804 1 228 . 1 . 1 22 22 DA C8 C 13 142.129 . . 1 . . 1852 . A 25 DA C8 . 30804 1 229 . 2 . 2 1 1 WAM H3 H 1 7.950 0.005 . 1 . . 1827 . A 101 WAM H3 . 30804 1 230 . 2 . 2 1 1 WAM H5 H 1 7.868 0.005 . 1 . . 1831 . A 101 WAM H5 . 30804 1 231 . 2 . 2 1 1 WAM H6 H 1 7.458 0.001 . 1 . . 1830 . A 101 WAM H6 . 30804 1 232 . 2 . 2 1 1 WAM H7 H 1 7.569 0.003 . 1 . . 1829 . A 101 WAM H7 . 30804 1 233 . 2 . 2 1 1 WAM H8 H 1 7.731 0.004 . 1 . . 1828 . A 101 WAM H8 . 30804 1 234 . 2 . 2 1 1 WAM H9 H 1 6.955 0.002 . 1 . . 1820 . A 101 WAM H9 . 30804 1 235 . 2 . 2 1 1 WAM H10 H 1 7.383 0.004 . 1 . . 1824 . A 101 WAM H10 . 30804 1 236 . 2 . 2 1 1 WAM H12 H 1 6.723 0.004 . 1 . . 1822 . A 101 WAM H12 . 30804 1 237 . 2 . 2 1 1 WAM H131 H 1 3.576 0.003 . 1 . . 1823 . A 101 WAM H131 . 30804 1 238 . 2 . 2 1 1 WAM H132 H 1 3.576 0.003 . 1 . . 1823 . A 101 WAM H132 . 30804 1 239 . 2 . 2 1 1 WAM H133 H 1 3.576 0.003 . 1 . . 1823 . A 101 WAM H133 . 30804 1 240 . 2 . 2 1 1 WAM H15 H 1 6.525 0.003 . 1 . . 1826 . A 101 WAM H15 . 30804 1 241 . 2 . 2 1 1 WAM H16 H 1 6.665 0.004 . 1 . . 1825 . A 101 WAM H16 . 30804 1 242 . 2 . 2 1 1 WAM HM11 H 1 4.123 0.003 . 1 . . 1821 . A 101 WAM HM11 . 30804 1 243 . 2 . 2 1 1 WAM HM12 H 1 4.123 0.003 . 1 . . 1821 . A 101 WAM HM12 . 30804 1 244 . 2 . 2 1 1 WAM HM13 H 1 4.123 0.003 . 1 . . 1821 . A 101 WAM HM13 . 30804 1 stop_ save_