################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17887 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_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 '1-1 jump return' . . . 17887 1 5 TOCYS . . . 17887 1 6 '2D 1H 1H NOESY 75 ms' . . . 17887 1 7 '2D 1H 1H NOESY 125 ms' . . . 17887 1 8 '2D 1H-1H NOESY 250 ms' . . . 17887 1 12 '1D 31P' . . . 17887 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.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 12.923 . . 1 . . . . 1 G H1 . 17887 1 2 . 1 1 1 1 DG H3' H 1 4.817 0.003 36 1 . . . . 1 G H3' . 17887 1 3 . 1 1 1 1 DG H4' H 1 4.236 0.002 4 1 . . . . 1 G H4' . 17887 1 4 . 1 1 1 1 DG H5' H 1 3.839 0.000 4 1 . . . . 1 G H5' . 17887 1 5 . 1 1 1 1 DG H5'' H 1 3.787 0.000 4 1 . . . . 1 G H5'' . 17887 1 6 . 1 1 1 1 DG H8 H 1 7.981 0.002 46 1 . . . . 1 G H8 . 17887 1 7 . 1 1 1 1 DG C1' C 13 86.500 . . 1 . . . . 1 G C1' . 17887 1 8 . 1 1 1 1 DG C3' C 13 77.600 . . 1 . . . . 1 G C3' . 17887 1 9 . 1 1 2 2 DT H1' H 1 6.195 0.002 47 1 . . . . 2 T H1' . 17887 1 10 . 1 1 2 2 DT H2' H 1 2.320 0.002 33 1 . . . . 2 T H2' . 17887 1 11 . 1 1 2 2 DT H2'' H 1 2.620 0.003 30 1 . . . . 2 T H2'' . 17887 1 12 . 1 1 2 2 DT H3 H 1 13.957 . . 1 . . . . 2 T H3 . 17887 1 13 . 1 1 2 2 DT H3' H 1 4.933 0.002 35 1 . . . . 2 T H3' . 17887 1 14 . 1 1 2 2 DT H4' H 1 4.333 0.002 29 1 . . . . 2 T H4' . 17887 1 15 . 1 1 2 2 DT H5' H 1 4.176 0.000 4 1 . . . . 2 T H5' . 17887 1 16 . 1 1 2 2 DT H5'' H 1 4.183 0.000 4 1 . . . . 2 T H5'' . 17887 1 17 . 1 1 2 2 DT H6 H 1 7.526 0.002 80 1 . . . . 2 T H6 . 17887 1 18 . 1 1 2 2 DT H71 H 1 1.352 0.002 47 1 . . . . 2 T H7 . 17887 1 19 . 1 1 2 2 DT H72 H 1 1.352 0.002 47 1 . . . . 2 T H7 . 17887 1 20 . 1 1 2 2 DT H73 H 1 1.352 0.002 47 1 . . . . 2 T H7 . 17887 1 21 . 1 1 2 2 DT C1' C 13 86.240 . . 1 . . . . 2 T C1' . 17887 1 22 . 1 1 2 2 DT C3' C 13 78.780 . . 1 . . . . 2 T C3' . 17887 1 23 . 1 1 2 2 DT C6 C 13 139.08 . . 1 . . . . 2 T C6 . 17887 1 24 . 1 1 2 2 DT P P 31 -0.460 . . 1 . . . . 2 T P . 17887 1 25 . 1 1 3 3 DC H1' H 1 6.036 0.004 26 1 . . . . 3 C H1' . 17887 1 26 . 1 1 3 3 DC H2' H 1 2.300 0.001 24 1 . . . . 3 C H2' . 17887 1 27 . 1 1 3 3 DC H2'' H 1 2.578 0.004 24 1 . . . . 3 C H2'' . 17887 1 28 . 1 1 3 3 DC H3' H 1 4.841 0.003 24 1 . . . . 3 C H3' . 17887 1 29 . 1 1 3 3 DC H5 H 1 5.682 0.002 28 1 . . . . 3 C H5 . 17887 1 30 . 1 1 3 3 DC H6 H 1 7.626 0.004 54 1 . . . . 3 C H6 . 17887 1 31 . 1 1 3 3 DC C1' C 13 86.610 . . 1 . . . . 3 C C1' . 17887 1 32 . 1 1 3 3 DC C3' C 13 76.700 . . 1 . . . . 3 C C3' . 17887 1 33 . 1 1 3 3 DC P P 31 -0.245 . . 1 . . . . 3 C P . 17887 1 34 . 1 1 4 4 DC H1' H 1 6.070 0.003 42 1 . . . . 4 C H1' . 17887 1 35 . 1 1 4 4 DC H2' H 1 2.415 0.003 36 1 . . . . 4 C H2' . 17887 1 36 . 1 1 4 4 DC H2'' H 1 2.543 0.006 24 1 . . . . 4 C H2'' . 17887 1 37 . 1 1 4 4 DC H3' H 1 4.881 0.004 34 1 . . . . 4 C H3' . 17887 1 38 . 1 1 4 4 DC H4' H 1 4.206 0.001 16 1 . . . . 4 C H4' . 17887 1 39 . 1 1 4 4 DC H6 H 1 7.606 0.003 56 1 . . . . 4 C H6 . 17887 1 40 . 1 1 4 4 DC C1' C 13 86.610 . . 1 . . . . 4 C C1' . 17887 1 41 . 1 1 4 4 DC C3' C 13 76.650 . . 1 . . . . 4 C C3' . 17887 1 42 . 1 1 4 4 DC P P 31 -0.065 . . 1 . . . . 4 C P . 17887 1 43 . 1 1 5 5 A3A C1' C 13 88.580 . . 1 . . . . 5 X C1' . 17887 1 44 . 1 1 5 5 A3A C3' C 13 78.110 . . 1 . . . . 5 X C3' . 17887 1 45 . 1 1 5 5 A3A C8A C 13 141.36 . . 1 . . . . 5 X C8 . 17887 1 46 . 1 1 5 5 A3A H1' H 1 5.937 0.002 54 1 . . . . 5 X H1' . 17887 1 47 . 1 1 5 5 A3A H2' H 1 2.654 0.125 24 1 . . . . 5 X H2' . 17887 1 48 . 1 1 5 5 A3A H2'' H 1 2.564 0.128 24 1 . . . . 5 X H2'' . 17887 1 49 . 1 1 5 5 A3A H3' H 1 5.017 0.002 30 1 . . . . 5 X H3' . 17887 1 50 . 1 1 5 5 A3A H4' H 1 4.949 0.001 11 1 . . . . 5 X H4' . 17887 1 51 . 1 1 5 5 A3A H5' H 1 4.140 0.000 4 1 . . . . 5 X H5' . 17887 1 52 . 1 1 5 5 A3A H5'' H 1 4.128 0.000 4 1 . . . . 5 X H5'' . 17887 1 53 . 1 1 5 5 A3A H8A H 1 7.901 0.002 85 1 . . . . 5 X H8 . 17887 1 54 . 1 1 5 5 A3A P P 31 0.186 . . 1 . . . . 5 X P . 17887 1 55 . 1 1 6 6 DG H1 H 1 12.880 . . 1 . . . . 6 G H1 . 17887 1 56 . 1 1 6 6 DG H1' H 1 5.675 0.003 37 1 . . . . 6 G H1' . 17887 1 57 . 1 1 6 6 DG H2' H 1 2.350 0.003 31 1 . . . . 6 G H2' . 17887 1 58 . 1 1 6 6 DG H2'' H 1 2.703 0.003 28 1 . . . . 6 G H2'' . 17887 1 59 . 1 1 6 6 DG H3' H 1 4.877 0.002 36 1 . . . . 6 G H3' . 17887 1 60 . 1 1 6 6 DG H4' H 1 4.304 0.002 25 1 . . . . 6 G H4' . 17887 1 61 . 1 1 6 6 DG H5' H 1 4.091 0.000 8 1 . . . . 6 G H5' . 17887 1 62 . 1 1 6 6 DG H5'' H 1 4.096 0.000 8 1 . . . . 6 G H5'' . 17887 1 63 . 1 1 6 6 DG H8 H 1 7.261 0.002 79 1 . . . . 6 G H8 . 17887 1 64 . 1 1 6 6 DG C1' C 13 85.120 . . 1 . . . . 6 G C1' . 17887 1 65 . 1 1 6 6 DG C3' C 13 79.720 . . 1 . . . . 6 G C3' . 17887 1 66 . 1 1 6 6 DG C8 C 13 137.91 . . 1 . . . . 6 G C8 . 17887 1 67 . 1 1 6 6 DG P P 31 1.123 . . 1 . . . . 6 G P . 17887 1 68 . 1 1 7 7 DG H1 H 1 12.809 . . 1 . . . . 7 G H1 . 17887 1 69 . 1 1 7 7 DG H1' H 1 5.544 0.008 36 1 . . . . 7 G H1' . 17887 1 70 . 1 1 7 7 DG H2' H 1 2.516 0.003 24 1 . . . . 7 G H2' . 17887 1 71 . 1 1 7 7 DG H2'' H 1 2.691 0.002 24 1 . . . . 7 G H2'' . 17887 1 72 . 1 1 7 7 DG H3' H 1 4.949 0.002 29 1 . . . . 7 G H3' . 17887 1 73 . 1 1 7 7 DG H4' H 1 4.322 0.003 25 1 . . . . 7 G H4' . 17887 1 74 . 1 1 7 7 DG H5' H 1 4.142 0.000 4 1 . . . . 7 G H5' . 17887 1 75 . 1 1 7 7 DG H5'' H 1 4.109 0.000 4 1 . . . . 7 G H5'' . 17887 1 76 . 1 1 7 7 DG H8 H 1 7.564 0.002 74 1 . . . . 7 G H8 . 17887 1 77 . 1 1 7 7 DG C1' C 13 83.960 . . 1 . . . . 7 G C1' . 17887 1 78 . 1 1 7 7 DG C3' C 13 78.400 . . 1 . . . . 7 G C3' . 17887 1 79 . 1 1 7 7 DG C8 C 13 137.39 . . 1 . . . . 7 G C8 . 17887 1 80 . 1 1 7 7 DG P P 31 -0.440 . . 1 . . . . 7 G P . 17887 1 81 . 1 1 8 8 DA H1' H 1 6.217 0.002 62 1 . . . . 8 A H1' . 17887 1 82 . 1 1 8 8 DA H2 H 1 7.932 0.002 20 1 . . . . 8 A H2 . 17887 1 83 . 1 1 8 8 DA H2' H 1 2.605 0.003 39 1 . . . . 8 A H2' . 17887 1 84 . 1 1 8 8 DA H2'' H 1 2.864 0.002 39 1 . . . . 8 A H2'' . 17887 1 85 . 1 1 8 8 DA H3' H 1 5.017 0.002 36 1 . . . . 8 A H3' . 17887 1 86 . 1 1 8 8 DA H4' H 1 4.447 0.002 30 1 . . . . 8 A H4' . 17887 1 87 . 1 1 8 8 DA H5' H 1 4.201 0.000 4 1 . . . . 8 A H5' . 17887 1 88 . 1 1 8 8 DA H5'' H 1 4.168 0.000 4 1 . . . . 8 A H5'' . 17887 1 89 . 1 1 8 8 DA H8 H 1 8.144 0.002 86 1 . . . . 8 A H8 . 17887 1 90 . 1 1 8 8 DA C1' C 13 85.120 . . 1 . . . . 8 A C1' . 17887 1 91 . 1 1 8 8 DA C3' C 13 78.110 . . 1 . . . . 8 A C3' . 17887 1 92 . 1 1 8 8 DA C8 C 13 140.97 . . 1 . . . . 8 A C8 . 17887 1 93 . 1 1 8 8 DA P P 31 -0.242 . . 1 . . . . 8 A P . 17887 1 94 . 1 1 9 9 DC H1' H 1 5.668 0.002 48 1 . . . . 9 C H1' . 17887 1 95 . 1 1 9 9 DC H2' H 1 1.854 0.002 39 1 . . . . 9 C H2' . 17887 1 96 . 1 1 9 9 DC H2'' H 1 2.283 0.003 21 1 . . . . 9 C H2'' . 17887 1 97 . 1 1 9 9 DC H3' H 1 4.797 0.002 27 1 . . . . 9 C H3' . 17887 1 98 . 1 1 9 9 DC H4' H 1 4.120 0.002 27 1 . . . . 9 C H4' . 17887 1 99 . 1 1 9 9 DC H5 H 1 5.269 0.002 38 1 . . . . 9 C H5 . 17887 1 100 . 1 1 9 9 DC H5' H 1 4.225 0.000 4 1 . . . . 9 C H5' . 17887 1 101 . 1 1 9 9 DC H5'' H 1 4.218 0.000 4 1 . . . . 9 C H5'' . 17887 1 102 . 1 1 9 9 DC H6 H 1 7.220 0.002 82 1 . . . . 9 C H6 . 17887 1 103 . 1 1 9 9 DC C1' C 13 85.530 . . 1 . . . . 9 C C1' . 17887 1 104 . 1 1 9 9 DC C3' C 13 76.050 . . 1 . . . . 9 C C3' . 17887 1 105 . 1 1 9 9 DC C6 C 13 142.29 . . 1 . . . . 9 C C6 . 17887 1 106 . 1 1 9 9 DC P P 31 -0.334 . . 1 . . . . 9 C P . 17887 1 107 . 1 1 10 10 DG H1 H 1 13.076 . . 1 . . . . 10 G H1 . 17887 1 108 . 1 1 10 10 DG H1' H 1 6.153 0.002 32 1 . . . . 10 G H1' . 17887 1 109 . 1 1 10 10 DG H2' H 1 2.582 0.002 21 1 . . . . 10 G H2' . 17887 1 110 . 1 1 10 10 DG H2'' H 1 2.360 0.002 21 1 . . . . 10 G H2'' . 17887 1 111 . 1 1 10 10 DG H3' H 1 4.655 0.002 30 1 . . . . 10 G H3' . 17887 1 112 . 1 1 10 10 DG H4' H 1 4.175 0.002 20 1 . . . . 10 G H4' . 17887 1 113 . 1 1 10 10 DG H5' H 1 4.125 0.000 4 1 . . . . 10 G H5' . 17887 1 114 . 1 1 10 10 DG H5'' H 1 4.084 0.000 4 1 . . . . 10 G H5'' . 17887 1 115 . 1 1 10 10 DG H8 H 1 7.888 0.003 70 1 . . . . 10 G H8 . 17887 1 116 . 1 1 10 10 DG C1' C 13 84.860 . . 1 . . . . 10 G C1' . 17887 1 117 . 1 1 10 10 DG C3' C 13 73.400 . . 1 . . . . 10 G C3' . 17887 1 118 . 1 1 10 10 DG C8 C 13 139.21 . . 1 . . . . 10 G C8 . 17887 1 119 . 2 2 1 1 DC H1' H 1 5.795 0.002 38 1 . . . B 11 DC H1' . 17887 1 120 . 2 2 1 1 DC H2' H 1 2.074 0.002 28 1 . . . B 11 DC H2' . 17887 1 121 . 2 2 1 1 DC H2'' H 1 2.463 0.002 27 1 . . . B 11 DC H2'' . 17887 1 122 . 2 2 1 1 DC H3' H 1 4.716 0.002 35 1 . . . B 11 DC H3' . 17887 1 123 . 2 2 1 1 DC H4' H 1 4.080 0.002 9 1 . . . B 11 DC H4' . 17887 1 124 . 2 2 1 1 DC H5 H 1 5.917 0.004 11 1 . . . B 11 DC H5 . 17887 1 125 . 2 2 1 1 DC H6 H 1 7.668 0.003 32 1 . . . B 11 DC H6 . 17887 1 126 . 2 2 1 1 DC C1' C 13 88.010 . . 1 . . . B 11 DC C1' . 17887 1 127 . 2 2 1 1 DC C3' C 13 77.750 . . 1 . . . B 11 DC C3' . 17887 1 128 . 2 2 1 1 DC C6 C 13 143.29 . . 1 . . . B 11 DC C6 . 17887 1 129 . 2 2 1 1 DC P P 31 -0.027 . . 1 . . . B 11 DC P . 17887 1 130 . 2 2 2 2 DG H1 H 1 12.923 . . 1 . . . B 12 DG H1 . 17887 1 131 . 2 2 2 2 DG H1' H 1 6.045 0.007 41 1 . . . B 12 DG H1' . 17887 1 132 . 2 2 2 2 DG H2' H 1 2.717 0.004 38 1 . . . B 12 DG H2' . 17887 1 133 . 2 2 2 2 DG H2'' H 1 2.849 0.003 38 1 . . . B 12 DG H2'' . 17887 1 134 . 2 2 2 2 DG H3' H 1 4.994 0.003 40 1 . . . B 12 DG H3' . 17887 1 135 . 2 2 2 2 DG H4' H 1 4.395 0.003 29 1 . . . B 12 DG H4' . 17887 1 136 . 2 2 2 2 DG H5' H 1 4.039 0.000 4 1 . . . B 12 DG H5' . 17887 1 137 . 2 2 2 2 DG H5'' H 1 4.124 0.000 4 1 . . . B 12 DG H5'' . 17887 1 138 . 2 2 2 2 DG H8 H 1 8.004 0.003 77 1 . . . B 12 DG H8 . 17887 1 139 . 2 2 2 2 DG C1' C 13 84.690 . . 1 . . . B 12 DG C1' . 17887 1 140 . 2 2 2 2 DG C3' C 13 79.720 . . 1 . . . B 12 DG C3' . 17887 1 141 . 2 2 2 2 DG C8 C 13 138.42 . . 1 . . . B 12 DG C8 . 17887 1 142 . 2 2 2 2 DG P P 31 -0.510 . . 1 . . . B 12 DG P . 17887 1 143 . 2 2 3 3 DT H1' H 1 6.096 0.003 42 1 . . . B 13 DT H1' . 17887 1 144 . 2 2 3 3 DT H2' H 1 2.242 0.004 36 1 . . . B 13 DT H2' . 17887 1 145 . 2 2 3 3 DT H2'' H 1 2.578 0.002 31 1 . . . B 13 DT H2'' . 17887 1 146 . 2 2 3 3 DT H3 H 1 13.758 . . 1 . . . B 13 DT H3 . 17887 1 147 . 2 2 3 3 DT H3' H 1 4.901 0.002 33 1 . . . B 13 DT H3' . 17887 1 148 . 2 2 3 3 DT H4' H 1 4.281 0.003 27 1 . . . B 13 DT H4' . 17887 1 149 . 2 2 3 3 DT H5' H 1 4.249 0.000 4 1 . . . B 13 DT H5' . 17887 1 150 . 2 2 3 3 DT H5'' H 1 4.194 0.000 4 1 . . . B 13 DT H5'' . 17887 1 151 . 2 2 3 3 DT H6 H 1 7.321 0.003 86 1 . . . B 13 DT H6 . 17887 1 152 . 2 2 3 3 DT H71 H 1 1.451 0.002 44 1 . . . B 13 DT H7 . 17887 1 153 . 2 2 3 3 DT H72 H 1 1.451 0.002 44 1 . . . B 13 DT H7 . 17887 1 154 . 2 2 3 3 DT H73 H 1 1.451 0.002 44 1 . . . B 13 DT H7 . 17887 1 155 . 2 2 3 3 DT C1' C 13 85.630 . . 1 . . . B 13 DT C1' . 17887 1 156 . 2 2 3 3 DT C3' C 13 77.780 . . 1 . . . B 13 DT C3' . 17887 1 157 . 2 2 3 3 DT C6 C 13 142.77 . . 1 . . . B 13 DT C6 . 17887 1 158 . 2 2 3 3 DT P P 31 -0.878 . . 1 . . . B 13 DT P . 17887 1 159 . 2 2 4 4 DC H1' H 1 5.952 0.003 43 1 . . . B 14 DC H1' . 17887 1 160 . 2 2 4 4 DC H2' H 1 2.295 0.002 30 1 . . . B 14 DC H2' . 17887 1 161 . 2 2 4 4 DC H2'' H 1 2.500 0.003 24 1 . . . B 14 DC H2'' . 17887 1 162 . 2 2 4 4 DC H3' H 1 4.811 0.002 39 1 . . . B 14 DC H3' . 17887 1 163 . 2 2 4 4 DC H4' H 1 4.210 0.007 15 1 . . . B 14 DC H4' . 17887 1 164 . 2 2 4 4 DC H5 H 1 5.682 0.001 11 1 . . . B 14 DC H5 . 17887 1 165 . 2 2 4 4 DC H5' H 1 4.150 0.000 4 1 . . . B 14 DC H5' . 17887 1 166 . 2 2 4 4 DC H5'' H 1 4.190 0.000 4 1 . . . B 14 DC H5'' . 17887 1 167 . 2 2 4 4 DC H6 H 1 7.609 0.003 75 1 . . . B 14 DC H6 . 17887 1 168 . 2 2 4 4 DC C1' C 13 86.680 . . 1 . . . B 14 DC C1' . 17887 1 169 . 2 2 4 4 DC C3' C 13 76.420 . . 1 . . . B 14 DC C3' . 17887 1 170 . 2 2 4 4 DC P P 31 -0.586 . . 1 . . . B 14 DC P . 17887 1 171 . 2 2 5 5 DC H1' H 1 5.957 0.003 47 1 . . . B 15 DC H1' . 17887 1 172 . 2 2 5 5 DC H2' H 1 2.145 0.002 40 1 . . . B 15 DC H2' . 17887 1 173 . 2 2 5 5 DC H2'' H 1 2.587 0.002 26 1 . . . B 15 DC H2'' . 17887 1 174 . 2 2 5 5 DC H3' H 1 4.758 0.002 22 1 . . . B 15 DC H3' . 17887 1 175 . 2 2 5 5 DC H4' H 1 4.190 0.003 18 1 . . . B 15 DC H4' . 17887 1 176 . 2 2 5 5 DC H5 H 1 5.560 0.003 44 1 . . . B 15 DC H5 . 17887 1 177 . 2 2 5 5 DC H5' H 1 4.124 0.000 4 1 . . . B 15 DC H5' . 17887 1 178 . 2 2 5 5 DC H5'' H 1 4.114 0.000 4 1 . . . B 15 DC H5'' . 17887 1 179 . 2 2 5 5 DC H6 H 1 7.539 0.002 80 1 . . . B 15 DC H6 . 17887 1 180 . 2 2 5 5 DC C1' C 13 86.910 . . 1 . . . B 15 DC C1' . 17887 1 181 . 2 2 5 5 DC C3' C 13 76.620 . . 1 . . . B 15 DC C3' . 17887 1 182 . 2 2 5 5 DC C6 C 13 142.78 . . 1 . . . B 15 DC C6 . 17887 1 183 . 2 2 5 5 DC P P 31 -0.358 . . 1 . . . B 15 DC P . 17887 1 184 . 2 2 6 6 DT H1' H 1 5.714 0.004 36 1 . . . B 16 DT H1' . 17887 1 185 . 2 2 6 6 DT H2' H 1 2.316 0.003 30 1 . . . B 16 DT H2' . 17887 1 186 . 2 2 6 6 DT H2'' H 1 2.514 0.002 27 1 . . . B 16 DT H2'' . 17887 1 187 . 2 2 6 6 DT H3 H 1 13.480 . . 1 . . . B 16 DT H3 . 17887 1 188 . 2 2 6 6 DT H3' H 1 4.845 0.001 33 1 . . . B 16 DT H3' . 17887 1 189 . 2 2 6 6 DT H4' H 1 4.202 0.002 15 1 . . . B 16 DT H4' . 17887 1 190 . 2 2 6 6 DT H5' H 1 4.110 0.000 4 1 . . . B 16 DT H5' . 17887 1 191 . 2 2 6 6 DT H5'' H 1 4.081 0.000 4 1 . . . B 16 DT H5'' . 17887 1 192 . 2 2 6 6 DT H6 H 1 7.390 0.002 82 1 . . . B 16 DT H6 . 17887 1 193 . 2 2 6 6 DT H71 H 1 1.623 0.002 35 1 . . . B 16 DT H7 . 17887 1 194 . 2 2 6 6 DT H72 H 1 1.623 0.002 35 1 . . . B 16 DT H7 . 17887 1 195 . 2 2 6 6 DT H73 H 1 1.623 0.002 35 1 . . . B 16 DT H7 . 17887 1 196 . 2 2 6 6 DT C1' C 13 85.810 . . 1 . . . B 16 DT C1' . 17887 1 197 . 2 2 6 6 DT C3' C 13 77.910 . . 1 . . . B 16 DT C3' . 17887 1 198 . 2 2 6 6 DT C6 C 13 137.98 . . 1 . . . B 16 DT C6 . 17887 1 199 . 2 2 6 6 DT P P 31 -0.826 . . 1 . . . B 16 DT P . 17887 1 200 . 2 2 7 7 DG H1 H 1 12.356 . . 1 . . . B 17 DG H1 . 17887 1 201 . 2 2 7 7 DG H1' H 1 5.745 0.007 36 1 . . . B 17 DG H1' . 17887 1 202 . 2 2 7 7 DG H2' H 1 2.491 0.003 27 1 . . . B 17 DG H2' . 17887 1 203 . 2 2 7 7 DG H2'' H 1 2.732 0.003 21 1 . . . B 17 DG H2'' . 17887 1 204 . 2 2 7 7 DG H3' H 1 4.947 0.002 31 1 . . . B 17 DG H3' . 17887 1 205 . 2 2 7 7 DG H4' H 1 4.315 0.002 17 1 . . . B 17 DG H4' . 17887 1 206 . 2 2 7 7 DG H5' H 1 4.155 0.000 4 1 . . . B 17 DG H5' . 17887 1 207 . 2 2 7 7 DG H5'' H 1 4.083 0.000 4 1 . . . B 17 DG H5'' . 17887 1 208 . 2 2 7 7 DG H8 H 1 7.660 0.002 70 1 . . . B 17 DG H8 . 17887 1 209 . 2 2 7 7 DG C1' C 13 84.890 . . 1 . . . B 17 DG C1' . 17887 1 210 . 2 2 7 7 DG C3' C 13 78.950 . . 1 . . . B 17 DG C3' . 17887 1 211 . 2 2 7 7 DG C8 C 13 138.00 . . 1 . . . B 17 DG C8 . 17887 1 212 . 2 2 7 7 DG P P 31 -0.648 . . 1 . . . B 17 DG P . 17887 1 213 . 2 2 8 8 DG H1 H 1 12.790 . . 1 . . . B 18 DG H1 . 17887 1 214 . 2 2 8 8 DG H1' H 1 5.579 0.004 36 1 . . . B 18 DG H1' . 17887 1 215 . 2 2 8 8 DG H2' H 1 2.564 0.001 30 1 . . . B 18 DG H2' . 17887 1 216 . 2 2 8 8 DG H2'' H 1 2.708 0.002 26 1 . . . B 18 DG H2'' . 17887 1 217 . 2 2 8 8 DG H3' H 1 4.962 0.002 37 1 . . . B 18 DG H3' . 17887 1 218 . 2 2 8 8 DG H4' H 1 4.332 0.003 27 1 . . . B 18 DG H4' . 17887 1 219 . 2 2 8 8 DG H5' H 1 4.150 0.000 4 1 . . . B 18 DG H5' . 17887 1 220 . 2 2 8 8 DG H5'' H 1 4.135 0.000 4 1 . . . B 18 DG H5'' . 17887 1 221 . 2 2 8 8 DG H8 H 1 7.645 0.004 70 1 . . . B 18 DG H8 . 17887 1 222 . 2 2 8 8 DG C1' C 13 84.020 . . 1 . . . B 18 DG C1' . 17887 1 223 . 2 2 8 8 DG C3' C 13 78.530 . . 1 . . . B 18 DG C3' . 17887 1 224 . 2 2 8 8 DG C8 C 13 137.44 . . 1 . . . B 18 DG C8 . 17887 1 225 . 2 2 8 8 DG P P 31 -0.720 . . 1 . . . B 18 DG P . 17887 1 226 . 2 2 9 9 DA H1' H 1 6.244 0.002 51 1 . . . B 19 DA H1' . 17887 1 227 . 2 2 9 9 DA H2 H 1 8.014 0.002 14 1 . . . B 19 DA H2 . 17887 1 228 . 2 2 9 9 DA H2' H 1 2.587 0.002 39 1 . . . B 19 DA H2' . 17887 1 229 . 2 2 9 9 DA H2'' H 1 2.870 0.004 33 1 . . . B 19 DA H2'' . 17887 1 230 . 2 2 9 9 DA H3' H 1 4.980 0.003 29 1 . . . B 19 DA H3' . 17887 1 231 . 2 2 9 9 DA H4' H 1 4.405 0.002 29 1 . . . B 19 DA H4' . 17887 1 232 . 2 2 9 9 DA H5' H 1 4.207 0.000 4 1 . . . B 19 DA H5' . 17887 1 233 . 2 2 9 9 DA H5'' H 1 4.198 0.000 4 1 . . . B 19 DA H5'' . 17887 1 234 . 2 2 9 9 DA H8 H 1 8.097 0.002 86 1 . . . B 19 DA H8 . 17887 1 235 . 2 2 9 9 DA C1' C 13 85.120 . . 1 . . . B 19 DA C1' . 17887 1 236 . 2 2 9 9 DA C3' C 13 77.980 . . 1 . . . B 19 DA C3' . 17887 1 237 . 2 2 9 9 DA C8 C 13 140.77 . . 1 . . . B 19 DA C8 . 17887 1 238 . 2 2 9 9 DA P P 31 -0.606 . . 1 . . . B 19 DA P . 17887 1 239 . 2 2 10 10 DC H1' H 1 6.059 0.003 37 1 . . . B 20 DC H1' . 17887 1 240 . 2 2 10 10 DC H2' H 1 2.083 0.029 24 1 . . . B 20 DC H2' . 17887 1 241 . 2 2 10 10 DC H2'' H 1 2.081 0.026 30 1 . . . B 20 DC H2'' . 17887 1 242 . 2 2 10 10 DC H3' H 1 4.459 0.002 24 1 . . . B 20 DC H3' . 17887 1 243 . 2 2 10 10 DC H4' H 1 3.999 0.002 23 1 . . . B 20 DC H4' . 17887 1 244 . 2 2 10 10 DC H5 H 1 5.311 0.002 38 1 . . . B 20 DC H5 . 17887 1 245 . 2 2 10 10 DC H5' H 1 4.052 0.000 4 1 . . . B 20 DC H5' . 17887 1 246 . 2 2 10 10 DC H5'' H 1 4.058 0.000 4 1 . . . B 20 DC H5'' . 17887 1 247 . 2 2 10 10 DC H6 H 1 7.305 0.003 74 1 . . . B 20 DC H6 . 17887 1 248 . 2 2 10 10 DC C1' C 13 86.130 . . 1 . . . B 20 DC C1' . 17887 1 249 . 2 2 10 10 DC C3' C 13 71.080 . . 1 . . . B 20 DC C3' . 17887 1 250 . 2 2 10 10 DC C6 C 13 138.54 . . 1 . . . B 20 DC C6 . 17887 1 251 . 2 2 10 10 DC P P 31 -0.616 . . 1 . . . B 20 DC P . 17887 1 stop_ save_