################################### # 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 17129 _Assigned_chem_shift_list.ID 1 _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 $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.005 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err 0.05 _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 'Digital resolution' _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' . . . 17129 1 2 '2D DQF-COSY' . . . 17129 1 3 '2D 1H-31P HCOSYINV' . . . 17129 1 4 '2D 1H-1H NOESY' . . . 17129 1 5 '2D 1H-1H TOCSY' . . . 17129 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 4 $XEASY . . 17129 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 6.004 0.005 . 1 . . . . 1 G H1' . 17129 1 2 . 1 1 1 1 DG H2' H 1 2.626 0.005 . 1 . . . . 1 G H2' . 17129 1 3 . 1 1 1 1 DG H2'' H 1 2.747 0.005 . 1 . . . . 1 G H2'' . 17129 1 4 . 1 1 1 1 DG H3' H 1 4.890 0.005 . 1 . . . . 1 G H3' . 17129 1 5 . 1 1 1 1 DG H4' H 1 4.300 0.005 . 1 . . . . 1 G H4' . 17129 1 6 . 1 1 1 1 DG H5' H 1 3.983 0.005 . 2 . . . . 1 G H5' . 17129 1 7 . 1 1 1 1 DG H5'' H 1 3.886 0.005 . 2 . . . . 1 G H5'' . 17129 1 8 . 1 1 1 1 DG H8 H 1 7.865 0.005 . 1 . . . . 1 G H8 . 17129 1 9 . 1 1 1 1 DG C1' C 13 86.6 0.2 . 1 . . . . 1 G C1' . 17129 1 10 . 1 1 1 1 DG C2' C 13 39.5 0.2 . 1 . . . . 1 G C2' . 17129 1 11 . 1 1 1 1 DG C3' C 13 77.3 0.2 . 5 . . . . 1 G C3' . 17129 1 12 . 1 1 1 1 DG C4' C 13 86.5 0.2 . 5 . . . . 1 G C4' . 17129 1 13 . 1 1 1 1 DG C5' C 13 68.1 0.2 . 5 . . . . 1 G C5' . 17129 1 14 . 1 1 1 1 DG P P 31 -2.67 0.05 . 1 . . . . 1 G P . 17129 1 15 . 1 1 2 2 DC H1' H 1 5.359 0.005 . 1 . . . . 2 C H1' . 17129 1 16 . 1 1 2 2 DC H2' H 1 2.089 0.005 . 1 . . . . 2 C H2' . 17129 1 17 . 1 1 2 2 DC H2'' H 1 2.311 0.005 . 1 . . . . 2 C H2'' . 17129 1 18 . 1 1 2 2 DC H3' H 1 4.80 0.02 . 1 . . . . 2 C H3' . 17129 1 19 . 1 1 2 2 DC H4' H 1 4.131 0.005 . 1 . . . . 2 C H4' . 17129 1 20 . 1 1 2 2 DC H5 H 1 5.774 0.005 . 1 . . . . 2 C H5 . 17129 1 21 . 1 1 2 2 DC H5' H 1 4.032 0.005 . 1 . . . . 2 C H5' . 17129 1 22 . 1 1 2 2 DC H5'' H 1 4.032 0.005 . 1 . . . . 2 C H5'' . 17129 1 23 . 1 1 2 2 DC H6 H 1 7.538 0.005 . 1 . . . . 2 C H6 . 17129 1 24 . 1 1 2 2 DC H41 H 1 8.47 0.01 . 1 . . . . 2 C H41 . 17129 1 25 . 1 1 2 2 DC H42 H 1 6.95 0.01 . 1 . . . . 2 C H42 . 17129 1 26 . 1 1 2 2 DC C1' C 13 88.5 0.2 . 1 . . . . 2 C C1' . 17129 1 27 . 1 1 2 2 DC C2' C 13 39.1 0.2 . 1 . . . . 2 C C2' . 17129 1 28 . 1 1 2 2 DC C3' C 13 78.1 0.2 . 1 . . . . 2 C C3' . 17129 1 29 . 1 1 2 2 DC C4' C 13 85.4 0.2 . 5 . . . . 2 C C4' . 17129 1 30 . 1 1 2 2 DC C5 C 13 99.1 0.2 . 1 . . . . 2 C C5 . 17129 1 31 . 1 1 2 2 DC P P 31 -4.03 0.05 . 1 . . . . 2 C P . 17129 1 32 . 1 1 3 3 DA H1' H 1 6.021 0.005 . 1 . . . . 3 A H1' . 17129 1 33 . 1 1 3 3 DA H2 H 1 7.811 0.005 . 1 . . . . 3 A H2 . 17129 1 34 . 1 1 3 3 DA H2' H 1 2.781 0.005 . 1 . . . . 3 A H2' . 17129 1 35 . 1 1 3 3 DA H2'' H 1 2.842 0.005 . 1 . . . . 3 A H2'' . 17129 1 36 . 1 1 3 3 DA H3' H 1 5.032 0.005 . 1 . . . . 3 A H3' . 17129 1 37 . 1 1 3 3 DA H4' H 1 4.380 0.005 . 1 . . . . 3 A H4' . 17129 1 38 . 1 1 3 3 DA H5' H 1 4.104 0.005 . 2 . . . . 3 A H5' . 17129 1 39 . 1 1 3 3 DA H5'' H 1 3.992 0.005 . 2 . . . . 3 A H5'' . 17129 1 40 . 1 1 3 3 DA H8 H 1 8.246 0.005 . 1 . . . . 3 A H8 . 17129 1 41 . 1 1 3 3 DA H61 H 1 7.87 0.01 . 1 . . . . 3 A H61 . 17129 1 42 . 1 1 3 3 DA H62 H 1 6.59 0.01 . 1 . . . . 3 A H62 . 17129 1 43 . 1 1 3 3 DA C1' C 13 85.2 0.2 . 1 . . . . 3 A C1' . 17129 1 44 . 1 1 3 3 DA C2' C 13 39.7 0.2 . 1 . . . . 3 A C2' . 17129 1 45 . 1 1 3 3 DA C3' C 13 80.0 0.2 . 1 . . . . 3 A C3' . 17129 1 46 . 1 1 3 3 DA C4' C 13 87.8 0.2 . 5 . . . . 3 A C4' . 17129 1 47 . 1 1 3 3 DA C5' C 13 67.4 0.2 . 1 . . . . 3 A C5' . 17129 1 48 . 1 1 3 3 DA P P 31 -3.66 0.05 . 1 . . . . 3 A P . 17129 1 49 . 1 1 4 4 DG H1 H 1 12.92 0.01 . 1 . . . . 4 G H1 . 17129 1 50 . 1 1 4 4 DG H1' H 1 5.792 0.005 . 1 . . . . 4 G H1' . 17129 1 51 . 1 1 4 4 DG H2' H 1 2.422 0.005 . 1 . . . . 4 G H2' . 17129 1 52 . 1 1 4 4 DG H2'' H 1 2.510 0.005 . 1 . . . . 4 G H2'' . 17129 1 53 . 1 1 4 4 DG H3' H 1 4.908 0.005 . 1 . . . . 4 G H3' . 17129 1 54 . 1 1 4 4 DG H4' H 1 4.302 0.005 . 1 . . . . 4 G H4' . 17129 1 55 . 1 1 4 4 DG H5' H 1 4.219 0.01 . 1 . . . . 4 G H5' . 17129 1 56 . 1 1 4 4 DG H5'' H 1 4.219 0.01 . 1 . . . . 4 G H5'' . 17129 1 57 . 1 1 4 4 DG H8 H 1 7.689 0.005 . 1 . . . . 4 G H8 . 17129 1 58 . 1 1 4 4 DG C1' C 13 84.3 0.2 . 1 . . . . 4 G C1' . 17129 1 59 . 1 1 4 4 DG C2' C 13 40.9 0.2 . 1 . . . . 4 G C2' . 17129 1 60 . 1 1 4 4 DG C3' C 13 79.4 0.2 . 5 . . . . 4 G C3' . 17129 1 61 . 1 1 4 4 DG C4' C 13 88.0 0.2 . 5 . . . . 4 G C4' . 17129 1 62 . 1 1 4 4 DG P P 31 -4.04 0.05 . 1 . . . . 4 G P . 17129 1 63 . 1 1 5 5 DT H1' H 1 5.979 0.005 . 1 . . . . 5 T H1' . 17129 1 64 . 1 1 5 5 DT H2' H 1 2.004 0.005 . 1 . . . . 5 T H2' . 17129 1 65 . 1 1 5 5 DT H2'' H 1 2.375 0.005 . 1 . . . . 5 T H2'' . 17129 1 66 . 1 1 5 5 DT H3 H 1 11.98 0.01 . 5 . . . . 5 T H3 . 17129 1 67 . 1 1 5 5 DT H3' H 1 4.902 0.005 . 1 . . . . 5 T H3' . 17129 1 68 . 1 1 5 5 DT H4' H 1 4.142 0.005 . 1 . . . . 5 T H4' . 17129 1 69 . 1 1 5 5 DT H5' H 1 4.117 0.005 . 2 . . . . 5 T H5' . 17129 1 70 . 1 1 5 5 DT H5'' H 1 4.062 0.005 . 2 . . . . 5 T H5'' . 17129 1 71 . 1 1 5 5 DT H6 H 1 7.224 0.005 . 1 . . . . 5 T H6 . 17129 1 72 . 1 1 5 5 DT H71 H 1 1.161 0.005 . 1 . . . . 5 T H71 . 17129 1 73 . 1 1 5 5 DT H72 H 1 1.161 0.005 . 1 . . . . 5 T H72 . 17129 1 74 . 1 1 5 5 DT H73 H 1 1.161 0.005 . 1 . . . . 5 T H73 . 17129 1 75 . 1 1 5 5 DT C1' C 13 86.2 0.2 . 1 . . . . 5 T C1' . 17129 1 76 . 1 1 5 5 DT C2' C 13 39.3 0.2 . 1 . . . . 5 T C2' . 17129 1 77 . 1 1 5 5 DT C3' C 13 79.4 0.2 . 5 . . . . 5 T C3' . 17129 1 78 . 1 1 5 5 DT C6 C 13 138.5 0.2 . 1 . . . . 5 T C6 . 17129 1 79 . 1 1 5 5 DT C7 C 13 14.0 0.2 . 1 . . . . 5 T C7 . 17129 1 80 . 1 1 5 5 DT P P 31 -3.95 0.05 . 1 . . . . 5 T P . 17129 1 81 . 1 1 6 6 DT H1' H 1 5.703 0.005 . 1 . . . . 6 T H1' . 17129 1 82 . 1 1 6 6 DT H2' H 1 1.855 0.005 . 1 . . . . 6 T H2' . 17129 1 83 . 1 1 6 6 DT H2'' H 1 2.265 0.005 . 1 . . . . 6 T H2'' . 17129 1 84 . 1 1 6 6 DT H3 H 1 11.82 0.01 . 5 . . . . 6 T H3 . 17129 1 85 . 1 1 6 6 DT H3' H 1 4.79 0.02 . 1 . . . . 6 T H3' . 17129 1 86 . 1 1 6 6 DT H4' H 1 4.073 0.005 . 1 . . . . 6 T H4' . 17129 1 87 . 1 1 6 6 DT H5' H 1 4.005 0.005 . 1 . . . . 6 T H5' . 17129 1 88 . 1 1 6 6 DT H5'' H 1 4.005 0.005 . 1 . . . . 6 T H5'' . 17129 1 89 . 1 1 6 6 DT H6 H 1 7.134 0.005 . 1 . . . . 6 T H6 . 17129 1 90 . 1 1 6 6 DT H71 H 1 1.487 0.005 . 1 . . . . 6 T H71 . 17129 1 91 . 1 1 6 6 DT H72 H 1 1.487 0.005 . 1 . . . . 6 T H72 . 17129 1 92 . 1 1 6 6 DT H73 H 1 1.487 0.005 . 1 . . . . 6 T H73 . 17129 1 93 . 1 1 6 6 DT C2' C 13 38.8 0.2 . 1 . . . . 6 T C2' . 17129 1 94 . 1 1 6 6 DT C3' C 13 78.3 0.2 . 5 . . . . 6 T C3' . 17129 1 95 . 1 1 6 6 DT C4' C 13 86.2 0.2 . 1 . . . . 6 T C4' . 17129 1 96 . 1 1 6 6 DT C6 C 13 138.9 0.2 . 1 . . . . 6 T C6 . 17129 1 97 . 1 1 6 6 DT C7 C 13 14.3 0.2 . 1 . . . . 6 T C7 . 17129 1 98 . 1 1 6 6 DT P P 31 -4.28 0.05 . 1 . . . . 6 T P . 17129 1 99 . 1 1 7 7 DG H1 H 1 12.30 0.01 . 1 . . . . 7 G H1 . 17129 1 100 . 1 1 7 7 DG H1' H 1 5.627 0.005 . 1 . . . . 7 G H1' . 17129 1 101 . 1 1 7 7 DG H2' H 1 2.710 0.005 . 1 . . . . 7 G H2' . 17129 1 102 . 1 1 7 7 DG H2'' H 1 2.710 0.005 . 1 . . . . 7 G H2'' . 17129 1 103 . 1 1 7 7 DG H3' H 1 4.984 0.005 . 1 . . . . 7 G H3' . 17129 1 104 . 1 1 7 7 DG H4' H 1 4.318 0.005 . 1 . . . . 7 G H4' . 17129 1 105 . 1 1 7 7 DG H5' H 1 4.010 0.005 . 1 . . . . 7 G H5' . 17129 1 106 . 1 1 7 7 DG H5'' H 1 4.010 0.005 . 1 . . . . 7 G H5'' . 17129 1 107 . 1 1 7 7 DG H8 H 1 7.926 0.005 . 1 . . . . 7 G H8 . 17129 1 108 . 1 1 7 7 DG C1' C 13 84.9 0.2 . 1 . . . . 7 G C1' . 17129 1 109 . 1 1 7 7 DG C2' C 13 40.2 0.2 . 1 . . . . 7 G C2' . 17129 1 110 . 1 1 7 7 DG C3' C 13 79.4 0.2 . 5 . . . . 7 G C3' . 17129 1 111 . 1 1 7 7 DG C4' C 13 87.6 0.2 . 5 . . . . 7 G C4' . 17129 1 112 . 1 1 7 7 DG C5' C 13 68.5 0.2 . 1 . . . . 7 G C5' . 17129 1 113 . 1 1 7 7 DG P P 31 -4.22 0.05 . 1 . . . . 7 G P . 17129 1 114 . 1 1 8 8 DA H1' H 1 6.283 0.005 . 1 . . . . 8 A H1' . 17129 1 115 . 1 1 8 8 DA H2 H 1 7.824 0.005 . 1 . . . . 8 A H2 . 17129 1 116 . 1 1 8 8 DA H2' H 1 2.654 0.005 . 1 . . . . 8 A H2' . 17129 1 117 . 1 1 8 8 DA H2'' H 1 2.951 0.005 . 1 . . . . 8 A H2'' . 17129 1 118 . 1 1 8 8 DA H3' H 1 4.987 0.005 . 1 . . . . 8 A H3' . 17129 1 119 . 1 1 8 8 DA H4' H 1 4.462 0.005 . 1 . . . . 8 A H4' . 17129 1 120 . 1 1 8 8 DA H5' H 1 4.228 0.01 . 1 . . . . 8 A H5' . 17129 1 121 . 1 1 8 8 DA H5'' H 1 4.228 0.01 . 1 . . . . 8 A H5'' . 17129 1 122 . 1 1 8 8 DA H8 H 1 8.180 0.005 . 1 . . . . 8 A H8 . 17129 1 123 . 1 1 8 8 DA H61 H 1 7.73 0.01 . 1 . . . . 8 A H61 . 17129 1 124 . 1 1 8 8 DA H62 H 1 6.05 0.01 . 1 . . . . 8 A H62 . 17129 1 125 . 1 1 8 8 DA C1' C 13 85.8 0.2 . 1 . . . . 8 A C1' . 17129 1 126 . 1 1 8 8 DA C2' C 13 41.5 0.2 . 1 . . . . 8 A C2' . 17129 1 127 . 1 1 8 8 DA C3' C 13 79.1 0.2 . 5 . . . . 8 A C3' . 17129 1 128 . 1 1 8 8 DA C4' C 13 87.6 0.2 . 1 . . . . 8 A C4' . 17129 1 129 . 1 1 8 8 DA C5' C 13 68.5 0.2 . 1 . . . . 8 A C5' . 17129 1 130 . 1 1 8 8 DA C8 C 13 141.4 0.2 . 1 . . . . 8 A C8 . 17129 1 131 . 1 1 8 8 DA P P 31 -4.04 0.05 . 1 . . . . 8 A P . 17129 1 132 . 1 1 9 9 DT H1' H 1 5.927 0.005 . 1 . . . . 9 T H1' . 17129 1 133 . 1 1 9 9 DT H2' H 1 2.092 0.005 . 1 . . . . 9 T H2' . 17129 1 134 . 1 1 9 9 DT H2'' H 1 2.479 0.005 . 1 . . . . 9 T H2'' . 17129 1 135 . 1 1 9 9 DT H3 H 1 13.61 0.01 . 1 . . . . 9 T H3 . 17129 1 136 . 1 1 9 9 DT H3' H 1 4.867 0.005 . 1 . . . . 9 T H3' . 17129 1 137 . 1 1 9 9 DT H4' H 1 4.214 0.005 . 1 . . . . 9 T H4' . 17129 1 138 . 1 1 9 9 DT H5' H 1 4.291 0.005 . 1 . . . . 9 T H5' . 17129 1 139 . 1 1 9 9 DT H5'' H 1 4.291 0.005 . 1 . . . . 9 T H5'' . 17129 1 140 . 1 1 9 9 DT H6 H 1 7.210 0.005 . 1 . . . . 9 T H6 . 17129 1 141 . 1 1 9 9 DT H71 H 1 1.359 0.005 . 1 . . . . 9 T H71 . 17129 1 142 . 1 1 9 9 DT H72 H 1 1.359 0.005 . 1 . . . . 9 T H72 . 17129 1 143 . 1 1 9 9 DT H73 H 1 1.359 0.005 . 1 . . . . 9 T H73 . 17129 1 144 . 1 1 9 9 DT C1' C 13 87.1 0.2 . 1 . . . . 9 T C1' . 17129 1 145 . 1 1 9 9 DT C2' C 13 40.2 0.2 . 1 . . . . 9 T C2' . 17129 1 146 . 1 1 9 9 DT C3' C 13 78.7 0.2 . 1 . . . . 9 T C3' . 17129 1 147 . 1 1 9 9 DT C4' C 13 85.6 0.2 . 1 . . . . 9 T C4' . 17129 1 148 . 1 1 9 9 DT C5' C 13 66.8 0.2 . 1 . . . . 9 T C5' . 17129 1 149 . 1 1 9 9 DT C6 C 13 138.5 0.2 . 1 . . . . 9 T C6 . 17129 1 150 . 1 1 9 9 DT C7 C 13 14.1 0.2 . 1 . . . . 9 T C7 . 17129 1 151 . 1 1 9 9 DT P P 31 -4.33 0.05 . 1 . . . . 9 T P . 17129 1 152 . 1 1 10 10 DC H1' H 1 5.942 0.005 . 1 . . . . 10 C H1' . 17129 1 153 . 1 1 10 10 DC H2' H 1 2.110 0.005 . 1 . . . . 10 C H2' . 17129 1 154 . 1 1 10 10 DC H2'' H 1 2.425 0.005 . 1 . . . . 10 C H2'' . 17129 1 155 . 1 1 10 10 DC H3' H 1 4.77 0.02 . 1 . . . . 10 C H3' . 17129 1 156 . 1 1 10 10 DC H4' H 1 4.126 0.005 . 1 . . . . 10 C H4' . 17129 1 157 . 1 1 10 10 DC H5 H 1 5.605 0.005 . 1 . . . . 10 C H5 . 17129 1 158 . 1 1 10 10 DC H6 H 1 7.523 0.005 . 1 . . . . 10 C H6 . 17129 1 159 . 1 1 10 10 DC H41 H 1 8.41 0.01 . 1 . . . . 10 C H41 . 17129 1 160 . 1 1 10 10 DC H42 H 1 6.98 0.01 . 1 . . . . 10 C H42 . 17129 1 161 . 1 1 10 10 DC C1' C 13 87.2 0.2 . 1 . . . . 10 C C1' . 17129 1 162 . 1 1 10 10 DC C2' C 13 40.4 0.2 . 1 . . . . 10 C C2' . 17129 1 163 . 1 1 10 10 DC C3' C 13 79.1 0.2 . 1 . . . . 10 C C3' . 17129 1 164 . 1 1 10 10 DC C4' C 13 86.5 0.2 . 5 . . . . 10 C C4' . 17129 1 165 . 1 1 10 10 DC C5 C 13 98.9 0.2 . 1 . . . . 10 C C5 . 17129 1 166 . 1 1 10 10 DC C6 C 13 140.0 0.2 . 1 . . . . 10 C C6 . 17129 1 167 . 1 1 10 10 DC P P 31 -4.00 0.05 . 1 . . . . 10 C P . 17129 1 168 . 1 1 11 11 DC H1' H 1 6.102 0.005 . 1 . . . . 11 C H1' . 17129 1 169 . 1 1 11 11 DC H2' H 1 2.166 0.005 . 1 . . . . 11 C H2' . 17129 1 170 . 1 1 11 11 DC H2'' H 1 2.261 0.005 . 1 . . . . 11 C H2'' . 17129 1 171 . 1 1 11 11 DC H3' H 1 4.881 0.005 . 1 . . . . 11 C H3' . 17129 1 172 . 1 1 11 11 DC H4' H 1 4.223 0.005 . 1 . . . . 11 C H4' . 17129 1 173 . 1 1 11 11 DC H5 H 1 5.619 0.005 . 1 . . . . 11 C H5 . 17129 1 174 . 1 1 11 11 DC H6 H 1 7.551 0.005 . 1 . . . . 11 C H6 . 17129 1 175 . 1 1 11 11 DC H41 H 1 8.61 0.01 . 1 . . . . 11 C H41 . 17129 1 176 . 1 1 11 11 DC H42 H 1 7.03 0.01 . 1 . . . . 11 C H42 . 17129 1 177 . 1 1 11 11 DC C1' C 13 86.9 0.2 . 1 . . . . 11 C C1' . 17129 1 178 . 1 1 11 11 DC C2' C 13 40.6 0.2 . 1 . . . . 11 C C2' . 17129 1 179 . 1 1 11 11 DC C3' C 13 79.6 0.2 . 1 . . . . 11 C C3' . 17129 1 180 . 1 1 11 11 DC C4' C 13 87.5 0.2 . 5 . . . . 11 C C4' . 17129 1 181 . 1 1 11 11 DC C5 C 13 98.9 0.2 . 1 . . . . 11 C C5 . 17129 1 182 . 1 1 11 11 DC C6 C 13 139.8 0.2 . 1 . . . . 11 C C6 . 17129 1 183 . 1 1 11 11 DC P P 31 -3.96 0.05 . 5 . . . . 11 C P . 17129 1 184 . 1 1 12 12 DT H1' H 1 6.209 0.005 . 1 . . . . 12 T H1' . 17129 1 185 . 1 1 12 12 DT H2' H 1 2.087 0.005 . 1 . . . . 12 T H2' . 17129 1 186 . 1 1 12 12 DT H2'' H 1 2.368 0.005 . 1 . . . . 12 T H2'' . 17129 1 187 . 1 1 12 12 DT H3 H 1 11.05 0.15 . 1 . . . . 12 T H3 . 17129 1 188 . 1 1 12 12 DT H3' H 1 4.729 0.005 . 1 . . . . 12 T H3' . 17129 1 189 . 1 1 12 12 DT H4' H 1 4.310 0.005 . 1 . . . . 12 T H4' . 17129 1 190 . 1 1 12 12 DT H5' H 1 4.145 0.005 . 2 . . . . 12 T H5' . 17129 1 191 . 1 1 12 12 DT H5'' H 1 4.022 0.005 . 2 . . . . 12 T H5'' . 17129 1 192 . 1 1 12 12 DT H6 H 1 7.710 0.005 . 1 . . . . 12 T H6 . 17129 1 193 . 1 1 12 12 DT H71 H 1 1.897 0.005 . 1 . . . . 12 T H71 . 17129 1 194 . 1 1 12 12 DT H72 H 1 1.897 0.005 . 1 . . . . 12 T H72 . 17129 1 195 . 1 1 12 12 DT H73 H 1 1.897 0.005 . 1 . . . . 12 T H73 . 17129 1 196 . 1 1 12 12 DT C1' C 13 88.2 0.2 . 1 . . . . 12 T C1' . 17129 1 197 . 1 1 12 12 DT C2' C 13 41.3 0.2 . 1 . . . . 12 T C2' . 17129 1 198 . 1 1 12 12 DT C3' C 13 79.2 0.2 . 1 . . . . 12 T C3' . 17129 1 199 . 1 1 12 12 DT C4' C 13 87.6 0.2 . 5 . . . . 12 T C4' . 17129 1 200 . 1 1 12 12 DT C5' C 13 67.9 0.2 . 1 . . . . 12 T C5' . 17129 1 201 . 1 1 12 12 DT C6 C 13 139.6 0.2 . 1 . . . . 12 T C6 . 17129 1 202 . 1 1 12 12 DT C7 C 13 14.6 0.2 . 1 . . . . 12 T C7 . 17129 1 203 . 1 1 12 12 DT P P 31 -3.64 0.05 . 1 . . . . 12 T P . 17129 1 204 . 1 1 13 13 DT H1' H 1 5.836 0.005 . 1 . . . . 13 T H1' . 17129 1 205 . 1 1 13 13 DT H2' H 1 1.958 0.005 . 1 . . . . 13 T H2' . 17129 1 206 . 1 1 13 13 DT H2'' H 1 2.244 0.005 . 1 . . . . 13 T H2'' . 17129 1 207 . 1 1 13 13 DT H3 H 1 11.05 0.15 . 1 . . . . 13 T H3 . 17129 1 208 . 1 1 13 13 DT H3' H 1 4.622 0.005 . 1 . . . . 13 T H3' . 17129 1 209 . 1 1 13 13 DT H4' H 1 3.870 0.005 . 1 . . . . 13 T H4' . 17129 1 210 . 1 1 13 13 DT H5' H 1 3.958 0.005 . 2 . . . . 13 T H5' . 17129 1 211 . 1 1 13 13 DT H5'' H 1 3.909 0.005 . 2 . . . . 13 T H5'' . 17129 1 212 . 1 1 13 13 DT H6 H 1 7.546 0.005 . 1 . . . . 13 T H6 . 17129 1 213 . 1 1 13 13 DT H71 H 1 1.713 0.005 . 1 . . . . 13 T H71 . 17129 1 214 . 1 1 13 13 DT H72 H 1 1.713 0.005 . 1 . . . . 13 T H72 . 17129 1 215 . 1 1 13 13 DT H73 H 1 1.713 0.005 . 1 . . . . 13 T H73 . 17129 1 216 . 1 1 13 13 DT C1' C 13 87.8 0.2 . 1 . . . . 13 T C1' . 17129 1 217 . 1 1 13 13 DT C2' C 13 41.5 0.2 . 1 . . . . 13 T C2' . 17129 1 218 . 1 1 13 13 DT C3' C 13 79.1 0.2 . 5 . . . . 13 T C3' . 17129 1 219 . 1 1 13 13 DT C4' C 13 87.4 0.2 . 1 . . . . 13 T C4' . 17129 1 220 . 1 1 13 13 DT C5' C 13 68.1 0.2 . 5 . . . . 13 T C5' . 17129 1 221 . 1 1 13 13 DT C6 C 13 143.6 0.2 . 1 . . . . 13 T C6 . 17129 1 222 . 1 1 13 13 DT C7 C 13 14.7 0.2 . 1 . . . . 13 T C7 . 17129 1 223 . 1 1 13 13 DT P P 31 -4.46 0.05 . 1 . . . . 13 T P . 17129 1 224 . 1 1 14 14 DT H1' H 1 5.891 0.005 . 1 . . . . 14 T H1' . 17129 1 225 . 1 1 14 14 DT H2' H 1 1.998 0.005 . 1 . . . . 14 T H2' . 17129 1 226 . 1 1 14 14 DT H2'' H 1 2.212 0.005 . 1 . . . . 14 T H2'' . 17129 1 227 . 1 1 14 14 DT H3 H 1 11.05 0.15 . 1 . . . . 14 T H3 . 17129 1 228 . 1 1 14 14 DT H3' H 1 4.624 0.005 . 1 . . . . 14 T H3' . 17129 1 229 . 1 1 14 14 DT H4' H 1 3.768 0.005 . 1 . . . . 14 T H4' . 17129 1 230 . 1 1 14 14 DT H5' H 1 3.659 0.005 . 1 . . . . 14 T H5' . 17129 1 231 . 1 1 14 14 DT H5'' H 1 3.474 0.005 . 1 . . . . 14 T H5'' . 17129 1 232 . 1 1 14 14 DT H6 H 1 7.398 0.005 . 1 . . . . 14 T H6 . 17129 1 233 . 1 1 14 14 DT H71 H 1 1.666 0.005 . 1 . . . . 14 T H71 . 17129 1 234 . 1 1 14 14 DT H72 H 1 1.666 0.005 . 1 . . . . 14 T H72 . 17129 1 235 . 1 1 14 14 DT H73 H 1 1.666 0.005 . 1 . . . . 14 T H73 . 17129 1 236 . 1 1 14 14 DT C1' C 13 87.8 0.2 . 1 . . . . 14 T C1' . 17129 1 237 . 1 1 14 14 DT C2' C 13 40.7 0.2 . 1 . . . . 14 T C2' . 17129 1 238 . 1 1 14 14 DT C3' C 13 79.1 0.2 . 5 . . . . 14 T C3' . 17129 1 239 . 1 1 14 14 DT C4' C 13 86.9 0.2 . 1 . . . . 14 T C4' . 17129 1 240 . 1 1 14 14 DT C5' C 13 68.1 0.2 . 1 . . . . 14 T C5' . 17129 1 241 . 1 1 14 14 DT C6 C 13 139.7 0.2 . 1 . . . . 14 T C6 . 17129 1 242 . 1 1 14 14 DT C7 C 13 14.5 0.2 . 1 . . . . 14 T C7 . 17129 1 243 . 1 1 14 14 DT P P 31 -4.20 0.05 . 1 . . . . 14 T P . 17129 1 244 . 1 1 15 15 DG H1 H 1 13.23 0.01 . 1 . . . . 15 G H1 . 17129 1 245 . 1 1 15 15 DG H1' H 1 5.663 0.005 . 1 . . . . 15 G H1' . 17129 1 246 . 1 1 15 15 DG H2' H 1 2.673 0.005 . 1 . . . . 15 G H2' . 17129 1 247 . 1 1 15 15 DG H2'' H 1 2.848 0.005 . 1 . . . . 15 G H2'' . 17129 1 248 . 1 1 15 15 DG H3' H 1 4.836 0.005 . 1 . . . . 15 G H3' . 17129 1 249 . 1 1 15 15 DG H4' H 1 4.315 0.005 . 1 . . . . 15 G H4' . 17129 1 250 . 1 1 15 15 DG H5' H 1 4.028 0.005 . 2 . . . . 15 G H5' . 17129 1 251 . 1 1 15 15 DG H5'' H 1 3.917 0.005 . 2 . . . . 15 G H5'' . 17129 1 252 . 1 1 15 15 DG H8 H 1 7.912 0.005 . 1 . . . . 15 G H8 . 17129 1 253 . 1 1 15 15 DG C1' C 13 84.3 0.2 . 5 . . . . 15 G C1' . 17129 1 254 . 1 1 15 15 DG C2' C 13 39.3 0.2 . 1 . . . . 15 G C2' . 17129 1 255 . 1 1 15 15 DG C3' C 13 79.4 0.2 . 1 . . . . 15 G C3' . 17129 1 256 . 1 1 15 15 DG C4' C 13 87.6 0.2 . 5 . . . . 15 G C4' . 17129 1 257 . 1 1 15 15 DG C5' C 13 69.6 0.2 . 1 . . . . 15 G C5' . 17129 1 258 . 1 1 15 15 DG C8 C 13 140.2 0.2 . 1 . . . . 15 G C8 . 17129 1 259 . 1 1 15 15 DG P P 31 -4.06 0.05 . 1 . . . . 15 G P . 17129 1 260 . 1 1 16 16 DG H1 H 1 12.73 0.01 . 1 . . . . 16 G H1 . 17129 1 261 . 1 1 16 16 DG H1' H 1 5.695 0.005 . 1 . . . . 16 G H1' . 17129 1 262 . 1 1 16 16 DG H2' H 1 2.630 0.005 . 1 . . . . 16 G H2' . 17129 1 263 . 1 1 16 16 DG H2'' H 1 2.788 0.005 . 1 . . . . 16 G H2'' . 17129 1 264 . 1 1 16 16 DG H3' H 1 5.004 0.005 . 1 . . . . 16 G H3' . 17129 1 265 . 1 1 16 16 DG H4' H 1 4.390 0.005 . 1 . . . . 16 G H4' . 17129 1 266 . 1 1 16 16 DG H5' H 1 4.170 0.01 . 1 . . . . 16 G H5' . 17129 1 267 . 1 1 16 16 DG H5'' H 1 4.170 0.01 . 1 . . . . 16 G H5'' . 17129 1 268 . 1 1 16 16 DG H8 H 1 7.798 0.005 . 1 . . . . 16 G H8 . 17129 1 269 . 1 1 16 16 DG C1' C 13 84.9 0.2 . 1 . . . . 16 G C1' . 17129 1 270 . 1 1 16 16 DG C2' C 13 41.1 0.2 . 1 . . . . 16 G C2' . 17129 1 271 . 1 1 16 16 DG C3' C 13 78.9 0.2 . 5 . . . . 16 G C3' . 17129 1 272 . 1 1 16 16 DG C4' C 13 87.3 0.2 . 5 . . . . 16 G C4' . 17129 1 273 . 1 1 16 16 DG C5' C 13 68.7 0.2 . 1 . . . . 16 G C5' . 17129 1 274 . 1 1 16 16 DG P P 31 -4.08 0.05 . 1 . . . . 16 G P . 17129 1 275 . 1 1 17 17 DA H1' H 1 6.254 0.005 . 1 . . . . 17 A H1' . 17129 1 276 . 1 1 17 17 DA H2 H 1 7.874 0.005 . 1 . . . . 17 A H2 . 17129 1 277 . 1 1 17 17 DA H2' H 1 2.546 0.005 . 1 . . . . 17 A H2' . 17129 1 278 . 1 1 17 17 DA H2'' H 1 2.893 0.005 . 1 . . . . 17 A H2'' . 17129 1 279 . 1 1 17 17 DA H3' H 1 5.005 0.005 . 1 . . . . 17 A H3' . 17129 1 280 . 1 1 17 17 DA H4' H 1 4.395 0.005 . 1 . . . . 17 A H4' . 17129 1 281 . 1 1 17 17 DA H5' H 1 4.203 0.005 . 1 . . . . 17 A H5' . 17129 1 282 . 1 1 17 17 DA H5'' H 1 4.203 0.005 . 1 . . . . 17 A H5'' . 17129 1 283 . 1 1 17 17 DA H8 H 1 8.192 0.005 . 1 . . . . 17 A H8 . 17129 1 284 . 1 1 17 17 DA H61 H 1 7.69 0.01 . 1 . . . . 17 A H61 . 17129 1 285 . 1 1 17 17 DA H62 H 1 6.05 0.01 . 1 . . . . 17 A H62 . 17129 1 286 . 1 1 17 17 DA C1' C 13 85.2 0.2 . 1 . . . . 17 A C1' . 17129 1 287 . 1 1 17 17 DA C2' C 13 41.5 0.2 . 1 . . . . 17 A C2' . 17129 1 288 . 1 1 17 17 DA C3' C 13 78.2 0.2 . 5 . . . . 17 A C3' . 17129 1 289 . 1 1 17 17 DA C4' C 13 87.3 0.2 . 5 . . . . 17 A C4' . 17129 1 290 . 1 1 17 17 DA C5' C 13 68.5 0.2 . 1 . . . . 17 A C5' . 17129 1 291 . 1 1 17 17 DA P P 31 -3.90 0.05 . 1 . . . . 17 A P . 17129 1 292 . 1 1 18 18 DT H1' H 1 5.608 0.005 . 1 . . . . 18 T H1' . 17129 1 293 . 1 1 18 18 DT H2' H 1 1.571 0.005 . 1 . . . . 18 T H2' . 17129 1 294 . 1 1 18 18 DT H2'' H 1 1.945 0.005 . 1 . . . . 18 T H2'' . 17129 1 295 . 1 1 18 18 DT H3 H 1 13.18 0.01 . 1 . . . . 18 T H3 . 17129 1 296 . 1 1 18 18 DT H3' H 1 4.79 0.02 . 1 . . . . 18 T H3' . 17129 1 297 . 1 1 18 18 DT H4' H 1 4.036 0.005 . 1 . . . . 18 T H4' . 17129 1 298 . 1 1 18 18 DT H5' H 1 4.235 0.005 . 1 . . . . 18 T H5' . 17129 1 299 . 1 1 18 18 DT H5'' H 1 4.090 0.005 . 1 . . . . 18 T H5'' . 17129 1 300 . 1 1 18 18 DT H6 H 1 7.00 0.01 . 1 . . . . 18 T H6 . 17129 1 301 . 1 1 18 18 DT H71 H 1 1.367 0.005 . 1 . . . . 18 T H71 . 17129 1 302 . 1 1 18 18 DT H72 H 1 1.367 0.005 . 1 . . . . 18 T H72 . 17129 1 303 . 1 1 18 18 DT H73 H 1 1.367 0.005 . 1 . . . . 18 T H73 . 17129 1 304 . 1 1 18 18 DT C1' C 13 84.6 0.2 . 1 . . . . 18 T C1' . 17129 1 305 . 1 1 18 18 DT C2' C 13 38.9 0.2 . 1 . . . . 18 T C2' . 17129 1 306 . 1 1 18 18 DT C3' C 13 78.1 0.2 . 5 . . . . 18 T C3' . 17129 1 307 . 1 1 18 18 DT C4' C 13 85.3 0.2 . 5 . . . . 18 T C4' . 17129 1 308 . 1 1 18 18 DT C5' C 13 66.1 0.2 . 1 . . . . 18 T C5' . 17129 1 309 . 1 1 18 18 DT C6 C 13 138.5 0.2 . 1 . . . . 18 T C6 . 17129 1 310 . 1 1 18 18 DT P P 31 -4.27 0.05 . 1 . . . . 18 T P . 17129 1 311 . 1 1 19 19 DA H1' H 1 6.184 0.005 . 1 . . . . 19 A H1' . 17129 1 312 . 1 1 19 19 DA H2 H 1 7.875 0.005 . 1 . . . . 19 A H2 . 17129 1 313 . 1 1 19 19 DA H2' H 1 2.849 0.005 . 1 . . . . 19 A H2' . 17129 1 314 . 1 1 19 19 DA H2'' H 1 2.781 0.005 . 1 . . . . 19 A H2'' . 17129 1 315 . 1 1 19 19 DA H3' H 1 4.990 0.005 . 1 . . . . 19 A H3' . 17129 1 316 . 1 1 19 19 DA H4' H 1 4.411 0.005 . 1 . . . . 19 A H4' . 17129 1 317 . 1 1 19 19 DA H5' H 1 4.055 0.005 . 1 . . . . 19 A H5' . 17129 1 318 . 1 1 19 19 DA H5'' H 1 4.055 0.005 . 1 . . . . 19 A H5'' . 17129 1 319 . 1 1 19 19 DA H8 H 1 8.261 0.005 . 1 . . . . 19 A H8 . 17129 1 320 . 1 1 19 19 DA H61 H 1 7.89 0.01 . 1 . . . . 19 A H61 . 17129 1 321 . 1 1 19 19 DA H62 H 1 5.79 0.01 . 1 . . . . 19 A H62 . 17129 1 322 . 1 1 19 19 DA C1' C 13 85.8 0.2 . 1 . . . . 19 A C1' . 17129 1 323 . 1 1 19 19 DA C2' C 13 40.0 0.2 . 1 . . . . 19 A C2' . 17129 1 324 . 1 1 19 19 DA C3' C 13 79.6 0.2 . 5 . . . . 19 A C3' . 17129 1 325 . 1 1 19 19 DA C4' C 13 87.8 0.2 . 1 . . . . 19 A C4' . 17129 1 326 . 1 1 19 19 DA P P 31 -3.73 0.05 . 1 . . . . 19 A P . 17129 1 327 . 1 1 20 20 DC H1' H 1 5.951 0.005 . 1 . . . . 20 C H1' . 17129 1 328 . 1 1 20 20 DC H2' H 1 1.970 0.005 . 1 . . . . 20 C H2' . 17129 1 329 . 1 1 20 20 DC H2'' H 1 2.409 0.005 . 1 . . . . 20 C H2'' . 17129 1 330 . 1 1 20 20 DC H3' H 1 4.623 0.005 . 1 . . . . 20 C H3' . 17129 1 331 . 1 1 20 20 DC H4' H 1 4.200 0.005 . 1 . . . . 20 C H4' . 17129 1 332 . 1 1 20 20 DC H5 H 1 5.311 0.005 . 1 . . . . 20 C H5 . 17129 1 333 . 1 1 20 20 DC H5' H 1 4.261 0.005 . 1 . . . . 20 C H5' . 17129 1 334 . 1 1 20 20 DC H5'' H 1 4.261 0.005 . 1 . . . . 20 C H5'' . 17129 1 335 . 1 1 20 20 DC H6 H 1 7.343 0.005 . 1 . . . . 20 C H6 . 17129 1 336 . 1 1 20 20 DC C1' C 13 86.7 0.2 . 1 . . . . 20 C C1' . 17129 1 337 . 1 1 20 20 DC C2' C 13 40.8 0.2 . 1 . . . . 20 C C2' . 17129 1 338 . 1 1 20 20 DC C3' C 13 76.0 0.2 . 5 . . . . 20 C C3' . 17129 1 339 . 1 1 20 20 DC C4' C 13 85.8 0.2 . 1 . . . . 20 C C4' . 17129 1 340 . 1 1 20 20 DC C5 C 13 98.2 0.2 . 1 . . . . 20 C C5 . 17129 1 341 . 1 1 20 20 DC C5' C 13 67.4 0.2 . 1 . . . . 20 C C5' . 17129 1 342 . 1 1 20 20 DC C6 C 13 142.5 0.2 . 1 . . . . 20 C C6 . 17129 1 343 . 1 1 20 20 DC P P 31 -4.05 0.05 . 1 . . . . 20 C P . 17129 1 344 . 1 1 21 21 DC H1' H 1 6.061 0.005 . 1 . . . . 21 C H1' . 17129 1 345 . 1 1 21 21 DC H2' H 1 2.185 0.005 . 1 . . . . 21 C H2' . 17129 1 346 . 1 1 21 21 DC H2'' H 1 2.486 0.005 . 1 . . . . 21 C H2'' . 17129 1 347 . 1 1 21 21 DC H3' H 1 4.77 0.02 . 1 . . . . 21 C H3' . 17129 1 348 . 1 1 21 21 DC H4' H 1 4.236 0.005 . 1 . . . . 21 C H4' . 17129 1 349 . 1 1 21 21 DC H5 H 1 5.632 0.005 . 1 . . . . 21 C H5 . 17129 1 350 . 1 1 21 21 DC H6 H 1 7.551 0.005 . 1 . . . . 21 C H6 . 17129 1 351 . 1 1 21 21 DC C1' C 13 87.4 0.2 . 1 . . . . 21 C C1' . 17129 1 352 . 1 1 21 21 DC C2' C 13 39.7 0.2 . 1 . . . . 21 C C2' . 17129 1 353 . 1 1 21 21 DC C3' C 13 75.8 0.2 . 5 . . . . 21 C C3' . 17129 1 354 . 1 1 21 21 DC C4' C 13 86.4 0.2 . 1 . . . . 21 C C4' . 17129 1 355 . 1 1 21 21 DC C5 C 13 98.8 0.2 . 1 . . . . 21 C C5 . 17129 1 356 . 1 1 21 21 DC P P 31 -3.96 0.05 . 5 . . . . 21 C P . 17129 1 357 . 1 1 22 22 DC H1' H 1 5.928 0.005 . 1 . . . . 22 C H1' . 17129 1 358 . 1 1 22 22 DC H2' H 1 2.044 0.005 . 1 . . . . 22 C H2' . 17129 1 359 . 1 1 22 22 DC H2'' H 1 2.429 0.005 . 1 . . . . 22 C H2'' . 17129 1 360 . 1 1 22 22 DC H3' H 1 4.76 0.02 . 1 . . . . 22 C H3' . 17129 1 361 . 1 1 22 22 DC H4' H 1 4.128 0.005 . 1 . . . . 22 C H4' . 17129 1 362 . 1 1 22 22 DC H5 H 1 5.793 0.005 . 1 . . . . 22 C H5 . 17129 1 363 . 1 1 22 22 DC H5' H 1 4.122 0.005 . 2 . . . . 22 C H5' . 17129 1 364 . 1 1 22 22 DC H6 H 1 7.593 0.005 . 1 . . . . 22 C H6 . 17129 1 365 . 1 1 22 22 DC H41 H 1 8.36 0.01 . 1 . . . . 22 C H41 . 17129 1 366 . 1 1 22 22 DC H42 H 1 7.39 0.01 . 1 . . . . 22 C H42 . 17129 1 367 . 1 1 22 22 DC C1' C 13 85.4 0.2 . 1 . . . . 22 C C1' . 17129 1 368 . 1 1 22 22 DC C2' C 13 40.0 0.2 . 1 . . . . 22 C C2' . 17129 1 369 . 1 1 22 22 DC C3' C 13 77.4 0.2 . 5 . . . . 22 C C3' . 17129 1 370 . 1 1 22 22 DC C4' C 13 86.1 0.2 . 5 . . . . 22 C C4' . 17129 1 371 . 1 1 22 22 DC C5 C 13 99.9 0.2 . 1 . . . . 22 C C5 . 17129 1 372 . 1 1 22 22 DC P P 31 -4.26 0.05 . 1 . . . . 22 C P . 17129 1 373 . 1 1 23 23 DT H1' H 1 5.743 0.005 . 1 . . . . 23 T H1' . 17129 1 374 . 1 1 23 23 DT H2' H 1 1.821 0.005 . 1 . . . . 23 T H2' . 17129 1 375 . 1 1 23 23 DT H2'' H 1 2.187 0.005 . 1 . . . . 23 T H2'' . 17129 1 376 . 1 1 23 23 DT H3 H 1 14.28 0.01 . 1 . . . . 23 T H3 . 17129 1 377 . 1 1 23 23 DT H3' H 1 4.77 0.02 . 1 . . . . 23 T H3' . 17129 1 378 . 1 1 23 23 DT H4' H 1 4.036 0.005 . 1 . . . . 23 T H4' . 17129 1 379 . 1 1 23 23 DT H6 H 1 7.302 0.005 . 1 . . . . 23 T H6 . 17129 1 380 . 1 1 23 23 DT H71 H 1 1.687 0.005 . 1 . . . . 23 T H71 . 17129 1 381 . 1 1 23 23 DT H72 H 1 1.687 0.005 . 1 . . . . 23 T H72 . 17129 1 382 . 1 1 23 23 DT H73 H 1 1.687 0.005 . 1 . . . . 23 T H73 . 17129 1 383 . 1 1 23 23 DT C1' C 13 86.1 0.2 . 1 . . . . 23 T C1' . 17129 1 384 . 1 1 23 23 DT C2' C 13 39.1 0.2 . 1 . . . . 23 T C2' . 17129 1 385 . 1 1 23 23 DT C3' C 13 77.8 0.2 . 5 . . . . 23 T C3' . 17129 1 386 . 1 1 23 23 DT C4' C 13 86.1 0.2 . 5 . . . . 23 T C4' . 17129 1 387 . 1 1 23 23 DT C6 C 13 139.6 0.2 . 1 . . . . 23 T C6 . 17129 1 388 . 1 1 23 23 DT C7 C 13 14.9 0.2 . 1 . . . . 23 T C7 . 17129 1 389 . 1 1 23 23 DT P P 31 -4.29 0.05 . 1 . . . . 23 T P . 17129 1 390 . 1 1 24 24 DG H1 H 1 12.90 0.01 . 1 . . . . 24 G H1 . 17129 1 391 . 1 1 24 24 DG H1' H 1 5.841 0.005 . 1 . . . . 24 G H1' . 17129 1 392 . 1 1 24 24 DG H2' H 1 2.535 0.005 . 1 . . . . 24 G H2' . 17129 1 393 . 1 1 24 24 DG H2'' H 1 2.425 0.005 . 1 . . . . 24 G H2'' . 17129 1 394 . 1 1 24 24 DG H3' H 1 4.919 0.005 . 1 . . . . 24 G H3' . 17129 1 395 . 1 1 24 24 DG H4' H 1 4.231 0.005 . 1 . . . . 24 G H4' . 17129 1 396 . 1 1 24 24 DG H5' H 1 3.971 0.005 . 2 . . . . 24 G H5' . 17129 1 397 . 1 1 24 24 DG H5'' H 1 3.888 0.005 . 2 . . . . 24 G H5'' . 17129 1 398 . 1 1 24 24 DG H8 H 1 7.805 0.005 . 1 . . . . 24 G H8 . 17129 1 399 . 1 1 24 24 DG C1' C 13 84.9 0.2 . 1 . . . . 24 G C1' . 17129 1 400 . 1 1 24 24 DG C2' C 13 40.3 0.2 . 1 . . . . 24 G C2' . 17129 1 401 . 1 1 24 24 DG C3' C 13 79.3 0.2 . 5 . . . . 24 G C3' . 17129 1 402 . 1 1 24 24 DG C4' C 13 86.6 0.2 . 5 . . . . 24 G C4' . 17129 1 403 . 1 1 24 24 DG C5' C 13 68.1 0.2 . 5 . . . . 24 G C5' . 17129 1 404 . 1 1 24 24 DG P P 31 -4.15 0.05 . 1 . . . . 24 G P . 17129 1 405 . 1 1 25 25 DG H1' H 1 6.118 0.005 . 1 . . . . 25 G H1' . 17129 1 406 . 1 1 25 25 DG H2' H 1 2.831 0.005 . 2 . . . . 25 G H2' . 17129 1 407 . 1 1 25 25 DG H2'' H 1 2.638 0.005 . 2 . . . . 25 G H2'' . 17129 1 408 . 1 1 25 25 DG H3' H 1 5.012 0.005 . 1 . . . . 25 G H3' . 17129 1 409 . 1 1 25 25 DG H4' H 1 4.350 0.005 . 1 . . . . 25 G H4' . 17129 1 410 . 1 1 25 25 DG H5' H 1 4.125 0.005 . 1 . . . . 25 G H5' . 17129 1 411 . 1 1 25 25 DG H5'' H 1 4.125 0.005 . 1 . . . . 25 G H5'' . 17129 1 412 . 1 1 25 25 DG H8 H 1 7.933 0.005 . 1 . . . . 25 G H8 . 17129 1 413 . 1 1 25 25 DG C1' C 13 86.2 0.2 . 1 . . . . 25 G C1' . 17129 1 414 . 1 1 25 25 DG C2' C 13 40.6 0.2 . 1 . . . . 25 G C2' . 17129 1 415 . 1 1 25 25 DG C3' C 13 78.1 0.2 . 5 . . . . 25 G C3' . 17129 1 416 . 1 1 25 25 DG C4' C 13 87.3 0.2 . 1 . . . . 25 G C4' . 17129 1 417 . 1 1 25 25 DG C5' C 13 67.7 0.2 . 1 . . . . 25 G C5' . 17129 1 418 . 1 1 25 25 DG P P 31 -3.89 0.05 . 1 . . . . 25 G P . 17129 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 11 17129 1 1 60 17129 1 1 77 17129 1 1 401 17129 1 2 12 17129 1 2 61 17129 1 2 199 17129 1 3 13 17129 1 3 220 17129 1 3 403 17129 1 4 29 17129 1 4 164 17129 1 4 370 17129 1 5 46 17129 1 5 272 17129 1 5 289 17129 1 6 66 17129 1 6 84 17129 1 7 94 17129 1 7 306 17129 1 7 353 17129 1 7 369 17129 1 7 385 17129 1 8 110 17129 1 8 127 17129 1 8 324 17129 1 9 111 17129 1 9 256 17129 1 10 180 17129 1 10 402 17129 1 11 183 17129 1 11 356 17129 1 12 218 17129 1 12 238 17129 1 12 338 17129 1 13 271 17129 1 13 288 17129 1 13 415 17129 1 14 307 17129 1 14 386 17129 1 stop_ save_