################################### # 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 34900 _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' . . . 34900 1 2 '2D 1H-1H COSY' . . . 34900 1 3 '2D 1H-1H NOESY' . . . 34900 1 4 '1H-15N HMQC' . . . 34900 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 11.725 0.008 . 1 . . 1923 . A 1 DG H1 . 34900 1 2 . 1 . 1 1 1 DG H1' H 1 6.142 0.007 . 1 . . 1932 . A 1 DG H1' . 34900 1 3 . 1 . 1 1 1 DG H2' H 1 2.729 0.003 . 1 . . 1986 . A 1 DG H2' . 34900 1 4 . 1 . 1 1 1 DG H2'' H 1 3.201 0.005 . 1 . . 1961 . A 1 DG H2'' . 34900 1 5 . 1 . 1 1 1 DG H3' H 1 5.043 0.003 . 1 . . 2048 . A 1 DG H3' . 34900 1 6 . 1 . 1 1 1 DG H8 H 1 7.447 0.002 . 1 . . 1909 . A 1 DG H8 . 34900 1 7 . 1 . 1 1 1 DG C1' C 13 90.128 . . 1 . . 2082 . A 1 DG C1' . 34900 1 8 . 1 . 1 1 1 DG C2' C 13 39.438 0.018 . 1 . . 2080 . A 1 DG C2' . 34900 1 9 . 1 . 1 1 1 DG C8 C 13 141.297 . . 1 . . 2005 . A 1 DG C8 . 34900 1 10 . 1 . 1 2 2 DG H1 H 1 11.440 0.005 . 1 . . 1902 . A 2 DG H1 . 34900 1 11 . 1 . 1 2 2 DG H1' H 1 5.899 0.003 . 1 . . 1934 . A 2 DG H1' . 34900 1 12 . 1 . 1 2 2 DG H2' H 1 2.541 0.007 . 1 . . 1963 . A 2 DG H2' . 34900 1 13 . 1 . 1 2 2 DG H2'' H 1 2.732 0.004 . 1 . . 1962 . A 2 DG H2'' . 34900 1 14 . 1 . 1 2 2 DG H3' H 1 5.074 0.004 . 1 . . 2047 . A 2 DG H3' . 34900 1 15 . 1 . 1 2 2 DG H8 H 1 7.980 0.002 . 1 . . 1933 . A 2 DG H8 . 34900 1 16 . 1 . 1 2 2 DG C1' C 13 83.444 . . 1 . . 2078 . A 2 DG C1' . 34900 1 17 . 1 . 1 2 2 DG C2' C 13 42.340 0.019 . 1 . . 2079 . A 2 DG C2' . 34900 1 18 . 1 . 1 2 2 DG C8 C 13 138.411 . . 1 . . 2014 . A 2 DG C8 . 34900 1 19 . 1 . 1 3 3 DG H1 H 1 10.721 0.007 . 1 . . 1901 . A 3 DG H1 . 34900 1 20 . 1 . 1 3 3 DG H1' H 1 6.175 0.002 . 1 . . 2072 . A 3 DG H1' . 34900 1 21 . 1 . 1 3 3 DG H2' H 1 2.520 0.003 . 1 . . 2068 . A 3 DG H2' . 34900 1 22 . 1 . 1 3 3 DG H2'' H 1 2.638 0.002 . 1 . . 2054 . A 3 DG H2'' . 34900 1 23 . 1 . 1 3 3 DG H3' H 1 4.919 0.004 . 1 . . 2056 . A 3 DG H3' . 34900 1 24 . 1 . 1 3 3 DG H8 H 1 7.536 0.005 . 1 . . 2053 . A 3 DG H8 . 34900 1 25 . 1 . 1 3 3 DG C1' C 13 84.767 . . 1 . . 2073 . A 3 DG C1' . 34900 1 26 . 1 . 1 3 3 DG C2' C 13 42.661 0.052 . 1 . . 2075 . A 3 DG C2' . 34900 1 27 . 1 . 1 3 3 DG C8 C 13 137.534 . . 1 . . 2084 . A 3 DG C8 . 34900 1 28 . 1 . 1 4 4 DC H1' H 1 5.605 0.008 . 1 . . 2035 . A 4 DC H1' . 34900 1 29 . 1 . 1 4 4 DC H2' H 1 1.862 0.002 . 1 . . 1984 . A 4 DC H2' . 34900 1 30 . 1 . 1 4 4 DC H2'' H 1 2.253 0.006 . 1 . . 2034 . A 4 DC H2'' . 34900 1 31 . 1 . 1 4 4 DC H3' H 1 4.712 0.003 . 1 . . 2033 . A 4 DC H3' . 34900 1 32 . 1 . 1 4 4 DC H5 H 1 5.694 0.005 . 1 . . 1884 . A 4 DC H5 . 34900 1 33 . 1 . 1 4 4 DC H6 H 1 7.498 0.004 . 1 . . 1883 . A 4 DC H6 . 34900 1 34 . 1 . 1 4 4 DC C6 C 13 143.344 . . 1 . . 2008 . A 4 DC C6 . 34900 1 35 . 1 . 1 5 5 DG H1 H 1 13.085 0.002 . 1 . . 1958 . A 5 DG H1 . 34900 1 36 . 1 . 1 5 5 DG H1' H 1 6.032 0.002 . 1 . . 1876 . A 5 DG H1' . 34900 1 37 . 1 . 1 5 5 DG H2' H 1 2.816 0.002 . 1 . . 1977 . A 5 DG H2' . 34900 1 38 . 1 . 1 5 5 DG H2'' H 1 2.917 . . 1 . . 2062 . A 5 DG H2'' . 34900 1 39 . 1 . 1 5 5 DG H3' H 1 4.918 0.002 . 1 . . 2030 . A 5 DG H3' . 34900 1 40 . 1 . 1 5 5 DG H8 H 1 7.985 0.002 . 1 . . 1875 . A 5 DG H8 . 34900 1 41 . 1 . 1 5 5 DG C8 C 13 138.407 . . 1 . . 2013 . A 5 DG C8 . 34900 1 42 . 1 . 1 6 6 DC H1' H 1 5.617 0.002 . 1 . . 1872 . A 6 DC H1' . 34900 1 43 . 1 . 1 6 6 DC H2' H 1 2.033 0.002 . 1 . . 1973 . A 6 DC H2' . 34900 1 44 . 1 . 1 6 6 DC H2'' H 1 2.386 0.006 . 1 . . 1974 . A 6 DC H2'' . 34900 1 45 . 1 . 1 6 6 DC H3' H 1 4.844 0.0 . 1 . . 2026 . A 6 DC H3' . 34900 1 46 . 1 . 1 6 6 DC H5 H 1 5.453 0.003 . 1 . . 1874 . A 6 DC H5 . 34900 1 47 . 1 . 1 6 6 DC H6 H 1 7.397 0.002 . 1 . . 1873 . A 6 DC H6 . 34900 1 48 . 1 . 1 6 6 DC H41 H 1 8.510 0.005 . 1 . . 1878 . A 6 DC H41 . 34900 1 49 . 1 . 1 6 6 DC H42 H 1 6.565 0.004 . 1 . . 1959 . A 6 DC H42 . 34900 1 50 . 1 . 1 6 6 DC C6 C 13 142.416 . . 1 . . 2004 . A 6 DC C6 . 34900 1 51 . 1 . 1 7 7 DG H1 H 1 12.888 0.006 . 1 . . 1955 . A 7 DG H1 . 34900 1 52 . 1 . 1 7 7 DG H1' H 1 5.560 0.002 . 1 . . 1870 . A 7 DG H1' . 34900 1 53 . 1 . 1 7 7 DG H2' H 1 2.688 0.005 . 1 . . 1877 . A 7 DG H2' . 34900 1 54 . 1 . 1 7 7 DG H2'' H 1 2.785 0.002 . 1 . . 1975 . A 7 DG H2'' . 34900 1 55 . 1 . 1 7 7 DG H3' H 1 5.031 0.0 . 1 . . 2025 . A 7 DG H3' . 34900 1 56 . 1 . 1 7 7 DG H8 H 1 7.922 0.001 . 1 . . 1871 . A 7 DG H8 . 34900 1 57 . 1 . 1 7 7 DG C8 C 13 138.380 . . 1 . . 1993 . A 7 DG C8 . 34900 1 58 . 1 . 1 8 8 DA H1' H 1 5.962 0.002 . 1 . . 1843 . A 8 DA H1' . 34900 1 59 . 1 . 1 8 8 DA H2 H 1 7.666 0.005 . 1 . . 1953 . A 8 DA H2 . 34900 1 60 . 1 . 1 8 8 DA H2' H 1 2.359 0.003 . 1 . . 1867 . A 8 DA H2' . 34900 1 61 . 1 . 1 8 8 DA H2'' H 1 2.664 0.004 . 1 . . 1868 . A 8 DA H2'' . 34900 1 62 . 1 . 1 8 8 DA H3' H 1 5.014 0.001 . 1 . . 2024 . A 8 DA H3' . 34900 1 63 . 1 . 1 8 8 DA H8 H 1 7.966 0.002 . 1 . . 1869 . A 8 DA H8 . 34900 1 64 . 1 . 1 8 8 DA C8 C 13 141.050 . . 1 . . 1990 . A 8 DA C8 . 34900 1 65 . 1 . 1 9 9 DA H1' H 1 5.924 0.005 . 1 . . 1841 . A 9 DA H1' . 34900 1 66 . 1 . 1 9 9 DA H2 H 1 7.755 0.005 . 1 . . 1954 . A 9 DA H2 . 34900 1 67 . 1 . 1 9 9 DA H2' H 1 2.093 0.002 . 1 . . 1865 . A 9 DA H2' . 34900 1 68 . 1 . 1 9 9 DA H2'' H 1 2.458 0.002 . 1 . . 1866 . A 9 DA H2'' . 34900 1 69 . 1 . 1 9 9 DA H3' H 1 4.919 0.002 . 1 . . 2023 . A 9 DA H3' . 34900 1 70 . 1 . 1 9 9 DA H8 H 1 7.492 0.002 . 1 . . 1842 . A 9 DA H8 . 34900 1 71 . 1 . 1 9 9 DA C8 C 13 139.945 . . 1 . . 2000 . A 9 DA C8 . 34900 1 72 . 1 . 1 10 10 DG H1' H 1 5.407 0.003 . 1 . . 1838 . A 10 DG H1' . 34900 1 73 . 1 . 1 10 10 DG H2' H 1 2.659 0.004 . 1 . . 1862 . A 10 DG H2' . 34900 1 74 . 1 . 1 10 10 DG H2'' H 1 2.368 0.001 . 1 . . 1861 . A 10 DG H2'' . 34900 1 75 . 1 . 1 10 10 DG H3' H 1 4.836 0.0 . 1 . . 2021 . A 10 DG H3' . 34900 1 76 . 1 . 1 10 10 DG H8 H 1 8.075 0.001 . 1 . . 1840 . A 10 DG H8 . 34900 1 77 . 1 . 1 10 10 DG C8 C 13 139.028 . . 1 . . 1989 . A 10 DG C8 . 34900 1 78 . 1 . 1 11 11 DC H1' H 1 5.720 0.004 . 1 . . 1835 . A 11 DC H1' . 34900 1 79 . 1 . 1 11 11 DC H2' H 1 1.607 0.001 . 1 . . 1864 . A 11 DC H2' . 34900 1 80 . 1 . 1 11 11 DC H2'' H 1 2.057 0.003 . 1 . . 1863 . A 11 DC H2'' . 34900 1 81 . 1 . 1 11 11 DC H3' H 1 4.431 0.002 . 1 . . 2022 . A 11 DC H3' . 34900 1 82 . 1 . 1 11 11 DC H5 H 1 5.222 0.002 . 1 . . 1839 . A 11 DC H5 . 34900 1 83 . 1 . 1 11 11 DC H6 H 1 7.205 0.002 . 1 . . 1837 . A 11 DC H6 . 34900 1 84 . 1 . 1 11 11 DC C6 C 13 143.461 . . 1 . . 2003 . A 11 DC C6 . 34900 1 85 . 1 . 1 12 12 DA H1' H 1 6.338 0.003 . 1 . . 1834 . A 12 DA H1' . 34900 1 86 . 1 . 1 12 12 DA H2 H 1 8.069 0.002 . 1 . . 2058 . A 12 DA H2 . 34900 1 87 . 1 . 1 12 12 DA H2' H 1 3.032 0.002 . 1 . . 1850 . A 12 DA H2' . 34900 1 88 . 1 . 1 12 12 DA H2'' H 1 2.966 0.001 . 1 . . 1849 . A 12 DA H2'' . 34900 1 89 . 1 . 1 12 12 DA H3' H 1 4.835 0.001 . 1 . . 2020 . A 12 DA H3' . 34900 1 90 . 1 . 1 12 12 DA H8 H 1 8.107 0.002 . 1 . . 1833 . A 12 DA H8 . 34900 1 91 . 1 . 1 12 12 DA C2 C 13 155.510 . . 1 . . 2083 . A 12 DA C2 . 34900 1 92 . 1 . 1 12 12 DA C8 C 13 143.157 . . 1 . . 1988 . A 12 DA C8 . 34900 1 93 . 1 . 1 13 13 DT H1' H 1 5.717 0.002 . 1 . . 1844 . A 13 DT H1' . 34900 1 94 . 1 . 1 13 13 DT H2' H 1 2.154 0.001 . 1 . . 1852 . A 13 DT H2' . 34900 1 95 . 1 . 1 13 13 DT H2'' H 1 2.535 0.002 . 1 . . 1851 . A 13 DT H2'' . 34900 1 96 . 1 . 1 13 13 DT H3' H 1 4.795 0.002 . 1 . . 2038 . A 13 DT H3' . 34900 1 97 . 1 . 1 13 13 DT H6 H 1 7.438 0.002 . 1 . . 1836 . A 13 DT H6 . 34900 1 98 . 1 . 1 13 13 DT H71 H 1 1.863 0.002 . 1 . . 1845 . A 13 DT H71 . 34900 1 99 . 1 . 1 13 13 DT H72 H 1 1.863 0.002 . 1 . . 1845 . A 13 DT H72 . 34900 1 100 . 1 . 1 13 13 DT H73 H 1 1.863 0.002 . 1 . . 1845 . A 13 DT H73 . 34900 1 101 . 1 . 1 13 13 DT C6 C 13 139.410 . . 1 . . 1998 . A 13 DT C6 . 34900 1 102 . 1 . 1 14 14 DT H1' H 1 6.120 0.002 . 1 . . 1848 . A 14 DT H1' . 34900 1 103 . 1 . 1 14 14 DT H2' H 1 2.271 0.002 . 1 . . 1853 . A 14 DT H2' . 34900 1 104 . 1 . 1 14 14 DT H2'' H 1 2.562 0.001 . 1 . . 1854 . A 14 DT H2'' . 34900 1 105 . 1 . 1 14 14 DT H3 H 1 13.978 0.003 . 1 . . 1952 . A 14 DT H3 . 34900 1 106 . 1 . 1 14 14 DT H3' H 1 4.916 0.005 . 1 . . 2037 . A 14 DT H3' . 34900 1 107 . 1 . 1 14 14 DT H6 H 1 7.484 0.001 . 1 . . 1847 . A 14 DT H6 . 34900 1 108 . 1 . 1 14 14 DT H71 H 1 1.677 0.007 . 1 . . 1846 . A 14 DT H71 . 34900 1 109 . 1 . 1 14 14 DT H72 H 1 1.677 0.007 . 1 . . 1846 . A 14 DT H72 . 34900 1 110 . 1 . 1 14 14 DT H73 H 1 1.677 0.007 . 1 . . 1846 . A 14 DT H73 . 34900 1 111 . 1 . 1 14 14 DT C6 C 13 139.949 . . 1 . . 1999 . A 14 DT C6 . 34900 1 112 . 1 . 1 15 15 DC H1' H 1 5.762 0.002 . 1 . . 1857 . A 15 DC H1' . 34900 1 113 . 1 . 1 15 15 DC H2' H 1 2.117 0.002 . 1 . . 1858 . A 15 DC H2' . 34900 1 114 . 1 . 1 15 15 DC H2'' H 1 2.447 0.003 . 1 . . 1859 . A 15 DC H2'' . 34900 1 115 . 1 . 1 15 15 DC H3' H 1 4.909 0.004 . 1 . . 2036 . A 15 DC H3' . 34900 1 116 . 1 . 1 15 15 DC H5 H 1 5.764 0.003 . 1 . . 1856 . A 15 DC H5 . 34900 1 117 . 1 . 1 15 15 DC H6 H 1 7.564 0.002 . 1 . . 1855 . A 15 DC H6 . 34900 1 118 . 1 . 1 15 15 DC H41 H 1 8.612 0.006 . 1 . . 1879 . A 15 DC H41 . 34900 1 119 . 1 . 1 15 15 DC H42 H 1 6.989 0.004 . 1 . . 1960 . A 15 DC H42 . 34900 1 120 . 1 . 1 15 15 DC C6 C 13 143.643 . . 1 . . 2009 . A 15 DC C6 . 34900 1 121 . 1 . 1 16 16 DG H1 H 1 13.065 0.002 . 1 . . 1956 . A 16 DG H1 . 34900 1 122 . 1 . 1 16 16 DG H1' H 1 5.973 0.003 . 1 . . 1885 . A 16 DG H1' . 34900 1 123 . 1 . 1 16 16 DG H2' H 1 2.633 0.004 . 1 . . 1886 . A 16 DG H2' . 34900 1 124 . 1 . 1 16 16 DG H2'' H 1 2.754 0.002 . 1 . . 1887 . A 16 DG H2'' . 34900 1 125 . 1 . 1 16 16 DG H3' H 1 5.035 0.003 . 1 . . 2039 . A 16 DG H3' . 34900 1 126 . 1 . 1 16 16 DG H8 H 1 7.967 0.001 . 1 . . 1860 . A 16 DG H8 . 34900 1 127 . 1 . 1 16 16 DG C8 C 13 138.394 . . 1 . . 2011 . A 16 DG C8 . 34900 1 128 . 1 . 1 17 17 DC H1' H 1 6.252 0.002 . 1 . . 1890 . A 17 DC H1' . 34900 1 129 . 1 . 1 17 17 DC H2' H 1 2.441 0.004 . 1 . . 1888 . A 17 DC H2' . 34900 1 130 . 1 . 1 17 17 DC H2'' H 1 2.483 0.003 . 1 . . 1889 . A 17 DC H2'' . 34900 1 131 . 1 . 1 17 17 DC H3' H 1 4.914 0.001 . 1 . . 2041 . A 17 DC H3' . 34900 1 132 . 1 . 1 17 17 DC H5 H 1 5.653 0.001 . 1 . . 1881 . A 17 DC H5 . 34900 1 133 . 1 . 1 17 17 DC H6 H 1 7.636 0.003 . 1 . . 1882 . A 17 DC H6 . 34900 1 134 . 1 . 1 17 17 DC H41 H 1 8.446 0.001 . 1 . . 1880 . A 17 DC H41 . 34900 1 135 . 1 . 1 17 17 DC H42 H 1 6.768 0.001 . 1 . . 1957 . A 17 DC H42 . 34900 1 136 . 1 . 1 17 17 DC C6 C 13 143.603 . . 1 . . 2010 . A 17 DC C6 . 34900 1 137 . 1 . 1 18 18 DG H1 H 1 11.163 0.005 . 1 . . 1903 . A 18 DG H1 . 34900 1 138 . 1 . 1 18 18 DG H1' H 1 5.875 0.002 . 1 . . 1927 . A 18 DG H1' . 34900 1 139 . 1 . 1 18 18 DG H2' H 1 3.200 0.001 . 1 . . 1981 . A 18 DG H2' . 34900 1 140 . 1 . 1 18 18 DG H2'' H 1 2.848 0.0 . 1 . . 1980 . A 18 DG H2'' . 34900 1 141 . 1 . 1 18 18 DG H3' H 1 4.923 0.008 . 1 . . 2032 . A 18 DG H3' . 34900 1 142 . 1 . 1 18 18 DG H8 H 1 7.196 0.003 . 1 . . 1900 . A 18 DG H8 . 34900 1 143 . 1 . 1 18 18 DG C8 C 13 141.420 . . 1 . . 2002 . A 18 DG C8 . 34900 1 144 . 1 . 1 19 19 DG H1 H 1 11.656 0.002 . 1 . . 1895 . A 19 DG H1 . 34900 1 145 . 1 . 1 19 19 DG H1' H 1 5.631 0.005 . 1 . . 1930 . A 19 DG H1' . 34900 1 146 . 1 . 1 19 19 DG H2' H 1 2.578 0.005 . 1 . . 1983 . A 19 DG H2' . 34900 1 147 . 1 . 1 19 19 DG H2'' H 1 2.423 0.002 . 1 . . 1982 . A 19 DG H2'' . 34900 1 148 . 1 . 1 19 19 DG H3' H 1 4.975 0.005 . 1 . . 2027 . A 19 DG H3' . 34900 1 149 . 1 . 1 19 19 DG H8 H 1 7.962 0.002 . 1 . . 1910 . A 19 DG H8 . 34900 1 150 . 1 . 1 19 19 DG C8 C 13 138.378 . . 1 . . 2012 . A 19 DG C8 . 34900 1 151 . 1 . 1 20 20 DG H1 H 1 11.227 0.003 . 1 . . 1894 . A 20 DG H1 . 34900 1 152 . 1 . 1 20 20 DG H1' H 1 6.030 0.005 . 1 . . 1931 . A 20 DG H1' . 34900 1 153 . 1 . 1 20 20 DG H2' H 1 2.397 0.006 . 1 . . 1978 . A 20 DG H2' . 34900 1 154 . 1 . 1 20 20 DG H2'' H 1 2.732 0.002 . 1 . . 1979 . A 20 DG H2'' . 34900 1 155 . 1 . 1 20 20 DG H3' H 1 4.817 0.003 . 1 . . 2031 . A 20 DG H3' . 34900 1 156 . 1 . 1 20 20 DG H8 H 1 7.472 0.003 . 1 . . 1911 . A 20 DG H8 . 34900 1 157 . 1 . 1 20 20 DG C1' C 13 84.861 . . 1 . . 2089 . A 20 DG C1' . 34900 1 158 . 1 . 1 20 20 DG C2' C 13 40.562 0.035 . 1 . . 2090 . A 20 DG C2' . 34900 1 159 . 1 . 1 20 20 DG C8 C 13 136.470 0.056 . 1 . . 1997 . A 20 DG C8 . 34900 1 160 . 1 . 1 21 21 DG H1' H 1 5.586 0.0 . 1 . . 1951 . A 21 DG H1' . 34900 1 161 . 1 . 1 21 21 DG H2' H 1 2.352 0.001 . 1 . . 2065 . A 21 DG H2' . 34900 1 162 . 1 . 1 21 21 DG H2'' H 1 2.347 . . 1 . . 2066 . A 21 DG H2'' . 34900 1 163 . 1 . 1 21 21 DG H3' H 1 4.713 0.002 . 1 . . 2064 . A 21 DG H3' . 34900 1 164 . 1 . 1 21 21 DG H8 H 1 7.594 0.004 . 1 . . 1950 . A 21 DG H8 . 34900 1 165 . 1 . 1 21 21 DG C8 C 13 139.022 . . 1 . . 1996 . A 21 DG C8 . 34900 1 166 . 1 . 1 22 22 DT H2' H 1 2.352 . . 1 . . 2018 . A 22 DT H2' . 34900 1 167 . 1 . 1 22 22 DT H6 H 1 7.218 0.006 . 1 . . 1938 . A 22 DT H6 . 34900 1 168 . 1 . 1 22 22 DT H71 H 1 1.475 0.003 . 1 . . 1937 . A 22 DT H71 . 34900 1 169 . 1 . 1 22 22 DT H72 H 1 1.475 0.003 . 1 . . 1937 . A 22 DT H72 . 34900 1 170 . 1 . 1 22 22 DT H73 H 1 1.475 0.003 . 1 . . 1937 . A 22 DT H73 . 34900 1 171 . 1 . 1 23 23 DT H1' H 1 5.406 0.003 . 1 . . 1942 . A 23 DT H1' . 34900 1 172 . 1 . 1 23 23 DT H2' H 1 1.820 . . 2 . . 2016 . A 23 DT H2' . 34900 1 173 . 1 . 1 23 23 DT H2'' H 1 1.974 . . 2 . . 2017 . A 23 DT H2'' . 34900 1 174 . 1 . 1 23 23 DT H3' H 1 4.560 0.001 . 1 . . 2052 . A 23 DT H3' . 34900 1 175 . 1 . 1 23 23 DT H6 H 1 6.960 0.001 . 1 . . 1945 . A 23 DT H6 . 34900 1 176 . 1 . 1 23 23 DT H71 H 1 1.431 . . 1 . . 1944 . A 23 DT H71 . 34900 1 177 . 1 . 1 23 23 DT H72 H 1 1.431 . . 1 . . 1944 . A 23 DT H72 . 34900 1 178 . 1 . 1 23 23 DT H73 H 1 1.431 . . 1 . . 1944 . A 23 DT H73 . 34900 1 179 . 1 . 1 24 24 DA H1' H 1 6.090 0.0 . 1 . . 1941 . A 24 DA H1' . 34900 1 180 . 1 . 1 24 24 DA H2' H 1 2.112 0.002 . 1 . . 1947 . A 24 DA H2' . 34900 1 181 . 1 . 1 24 24 DA H2'' H 1 2.508 0.002 . 1 . . 1946 . A 24 DA H2'' . 34900 1 182 . 1 . 1 24 24 DA H3' H 1 4.665 0.001 . 1 . . 2045 . A 24 DA H3' . 34900 1 183 . 1 . 1 24 24 DA H8 H 1 7.888 0.003 . 1 . . 1940 . A 24 DA H8 . 34900 1 184 . 1 . 1 24 24 DA C8 C 13 140.905 . . 1 . . 1991 . A 24 DA C8 . 34900 1 185 . 1 . 1 25 25 DG H1 H 1 11.427 0.011 . 1 . . 1935 . A 25 DG H1 . 34900 1 186 . 1 . 1 25 25 DG H1' H 1 6.151 0.005 . 1 . . 1908 . A 25 DG H1' . 34900 1 187 . 1 . 1 25 25 DG H2' H 1 3.774 0.006 . 1 . . 1968 . A 25 DG H2' . 34900 1 188 . 1 . 1 25 25 DG H2'' H 1 3.196 0.005 . 1 . . 1969 . A 25 DG H2'' . 34900 1 189 . 1 . 1 25 25 DG H3' H 1 4.895 0.008 . 1 . . 2061 . A 25 DG H3' . 34900 1 190 . 1 . 1 25 25 DG H8 H 1 7.446 0.003 . 1 . . 1904 . A 25 DG H8 . 34900 1 191 . 1 . 1 25 25 DG C1' C 13 89.149 . . 1 . . 2077 . A 25 DG C1' . 34900 1 192 . 1 . 1 25 25 DG C2' C 13 35.490 0.031 . 1 . . 2076 . A 25 DG C2' . 34900 1 193 . 1 . 1 25 25 DG C8 C 13 142.174 0.008 . 1 . . 2006 . A 25 DG C8 . 34900 1 194 . 1 . 1 26 26 BGM H1 H 1 11.463 0.004 . 1 . . 1924 . A 26 BGM H1 . 34900 1 195 . 1 . 1 27 27 DG H1 H 1 11.791 0.002 . 1 . . 1907 . A 27 DG H1 . 34900 1 196 . 1 . 1 27 27 DG H1' H 1 5.915 0.006 . 1 . . 1920 . A 27 DG H1' . 34900 1 197 . 1 . 1 27 27 DG H2' H 1 2.413 0.003 . 1 . . 2067 . A 27 DG H2' . 34900 1 198 . 1 . 1 27 27 DG H2'' H 1 2.522 0.004 . 1 . . 2059 . A 27 DG H2'' . 34900 1 199 . 1 . 1 27 27 DG H3' H 1 5.018 0.004 . 1 . . 2049 . A 27 DG H3' . 34900 1 200 . 1 . 1 27 27 DG H8 H 1 7.961 0.003 . 1 . . 1922 . A 27 DG H8 . 34900 1 201 . 1 . 1 27 27 DG C1' C 13 83.971 . . 1 . . 2087 . A 27 DG C1' . 34900 1 202 . 1 . 1 27 27 DG C2' C 13 41.637 0.061 . 1 . . 2088 . A 27 DG C2' . 34900 1 203 . 1 . 1 27 27 DG C8 C 13 138.326 0.064 . 1 . . 2015 . A 27 DG C8 . 34900 1 204 . 1 . 1 28 28 DT H1' H 1 6.156 0.004 . 1 . . 1918 . A 28 DT H1' . 34900 1 205 . 1 . 1 28 28 DT H2' H 1 2.084 0.004 . 1 . . 1916 . A 28 DT H2' . 34900 1 206 . 1 . 1 28 28 DT H2'' H 1 2.499 0.003 . 1 . . 1917 . A 28 DT H2'' . 34900 1 207 . 1 . 1 28 28 DT H3' H 1 4.792 0.01 . 1 . . 2051 . A 28 DT H3' . 34900 1 208 . 1 . 1 28 28 DT H6 H 1 7.588 0.002 . 1 . . 1919 . A 28 DT H6 . 34900 1 209 . 1 . 1 28 28 DT H71 H 1 1.832 0.003 . 1 . . 1921 . A 28 DT H71 . 34900 1 210 . 1 . 1 28 28 DT H72 H 1 1.832 0.003 . 1 . . 1921 . A 28 DT H72 . 34900 1 211 . 1 . 1 28 28 DT H73 H 1 1.832 0.003 . 1 . . 1921 . A 28 DT H73 . 34900 1 212 . 1 . 1 29 29 DT H1' H 1 5.646 0.002 . 1 . . 1899 . A 29 DT H1' . 34900 1 213 . 1 . 1 29 29 DT H2' H 1 1.877 0.002 . 1 . . 1915 . A 29 DT H2' . 34900 1 214 . 1 . 1 29 29 DT H2'' H 1 2.275 0.001 . 1 . . 1914 . A 29 DT H2'' . 34900 1 215 . 1 . 1 29 29 DT H3' H 1 4.555 0.0 . 1 . . 2028 . A 29 DT H3' . 34900 1 216 . 1 . 1 29 29 DT H6 H 1 7.252 0.002 . 1 . . 1912 . A 29 DT H6 . 34900 1 217 . 1 . 1 29 29 DT H71 H 1 1.658 0.003 . 1 . . 1943 . A 29 DT H71 . 34900 1 218 . 1 . 1 29 29 DT H72 H 1 1.658 0.003 . 1 . . 1943 . A 29 DT H72 . 34900 1 219 . 1 . 1 29 29 DT H73 H 1 1.658 0.003 . 1 . . 1943 . A 29 DT H73 . 34900 1 220 . 1 . 1 29 29 DT C6 C 13 139.289 . . 1 . . 2001 . A 29 DT C6 . 34900 1 221 . 1 . 1 30 30 DA H1' H 1 5.938 0.003 . 1 . . 1898 . A 30 DA H1' . 34900 1 222 . 1 . 1 30 30 DA H2' H 1 1.841 0.004 . 1 . . 1971 . A 30 DA H2' . 34900 1 223 . 1 . 1 30 30 DA H2'' H 1 2.484 0.005 . 1 . . 1972 . A 30 DA H2'' . 34900 1 224 . 1 . 1 30 30 DA H3' H 1 4.726 0.001 . 1 . . 2046 . A 30 DA H3' . 34900 1 225 . 1 . 1 30 30 DA H8 H 1 7.804 0.002 . 1 . . 1897 . A 30 DA H8 . 34900 1 226 . 1 . 1 30 30 DA C8 C 13 140.923 . . 1 . . 1992 . A 30 DA C8 . 34900 1 227 . 1 . 1 31 31 DG H1 H 1 11.584 0.002 . 1 . . 1896 . A 31 DG H1 . 34900 1 228 . 1 . 1 31 31 DG H1' H 1 6.124 0.005 . 1 . . 1926 . A 31 DG H1' . 34900 1 229 . 1 . 1 31 31 DG H2' H 1 3.732 0.003 . 1 . . 1967 . A 31 DG H2' . 34900 1 230 . 1 . 1 31 31 DG H2'' H 1 3.089 0.0 . 1 . . 1964 . A 31 DG H2'' . 34900 1 231 . 1 . 1 31 31 DG H3' H 1 4.874 0.003 . 1 . . 2043 . A 31 DG H3' . 34900 1 232 . 1 . 1 31 31 DG H8 H 1 7.589 0.002 . 1 . . 1891 . A 31 DG H8 . 34900 1 233 . 1 . 1 31 31 DG C1' C 13 89.704 . . 1 . . 2070 . A 31 DG C1' . 34900 1 234 . 1 . 1 31 31 DG C2' C 13 34.761 0.078 . 1 . . 2071 . A 31 DG C2' . 34900 1 235 . 1 . 1 31 31 DG C8 C 13 141.889 0.018 . 1 . . 2007 . A 31 DG C8 . 34900 1 236 . 1 . 1 32 32 DG H1 H 1 11.392 0.003 . 1 . . 1906 . A 32 DG H1 . 34900 1 237 . 1 . 1 32 32 DG H1' H 1 5.848 0.003 . 1 . . 1925 . A 32 DG H1' . 34900 1 238 . 1 . 1 32 32 DG H2' H 1 2.438 0.005 . 1 . . 1966 . A 32 DG H2' . 34900 1 239 . 1 . 1 32 32 DG H2'' H 1 2.786 0.002 . 1 . . 1965 . A 32 DG H2'' . 34900 1 240 . 1 . 1 32 32 DG H3' H 1 5.010 0.001 . 1 . . 2042 . A 32 DG H3' . 34900 1 241 . 1 . 1 32 32 DG H8 H 1 7.840 0.002 . 1 . . 1892 . A 32 DG H8 . 34900 1 242 . 1 . 1 32 32 DG C1' C 13 84.025 . . 1 . . 2085 . A 32 DG C1' . 34900 1 243 . 1 . 1 32 32 DG C2' C 13 42.553 . . 1 . . 2086 . A 32 DG C2' . 34900 1 244 . 1 . 1 32 32 DG C8 C 13 138.407 0.02 . 1 . . 1994 . A 32 DG C8 . 34900 1 245 . 1 . 1 33 33 DG H1 H 1 11.046 0.0 . 1 . . 1905 . A 33 DG H1 . 34900 1 246 . 1 . 1 33 33 DG H1' H 1 6.276 0.004 . 1 . . 1928 . A 33 DG H1' . 34900 1 247 . 1 . 1 33 33 DG H2' H 1 2.461 0.002 . 1 . . 1970 . A 33 DG H2' . 34900 1 248 . 1 . 1 33 33 DG H2'' H 1 2.324 0.003 . 1 . . 1939 . A 33 DG H2'' . 34900 1 249 . 1 . 1 33 33 DG H3' H 1 4.673 0.002 . 1 . . 2044 . A 33 DG H3' . 34900 1 250 . 1 . 1 33 33 DG H8 H 1 7.746 0.002 . 1 . . 1893 . A 33 DG H8 . 34900 1 251 . 1 . 1 33 33 DG C8 C 13 137.916 . . 1 . . 1995 . A 33 DG C8 . 34900 1 stop_ save_