################################### # 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 34145 _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-1H NOESY' . . . 34145 1 2 '2D 1H-1H NOESY' . . . 34145 1 3 '2D 1H-1H TOCSY' . . . 34145 1 4 '2D DQF-COSY' . . . 34145 1 5 '2D HP COSY' . . . 34145 1 6 '2D 1H-13C HSQC aromatic' . . . 34145 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.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 11.646 0.003 23 1 . . . . A 1 DG H1 . 34145 1 2 . 1 1 1 1 DG H1' H 1 6.096 0.005 18 1 . . . . A 1 DG H1' . 34145 1 3 . 1 1 1 1 DG H2' H 1 2.306 0.006 19 1 . . . . A 1 DG H2' . 34145 1 4 . 1 1 1 1 DG H2'' H 1 2.518 0.004 15 1 . . . . A 1 DG H2'' . 34145 1 5 . 1 1 1 1 DG H3' H 1 4.958 0.007 14 1 . . . . A 1 DG H3' . 34145 1 6 . 1 1 1 1 DG H4' H 1 4.424 0.002 15 1 . . . . A 1 DG H4' . 34145 1 7 . 1 1 1 1 DG H5' H 1 4.003 0.004 22 2 . . . . A 1 DG H5' . 34145 1 8 . 1 1 1 1 DG H8 H 1 7.68 0.004 40 1 . . . . A 1 DG H8 . 34145 1 9 . 1 1 1 1 DG H22 H 1 5.236 0.021 3 1 . . . . A 1 DG H22 . 34145 1 10 . 1 1 1 1 DG C8 C 13 140.218 0 1 1 . . . . A 1 DG C8 . 34145 1 11 . 1 1 2 2 DG H1 H 1 12.079 0.003 16 1 . . . . A 2 DG H1 . 34145 1 12 . 1 1 2 2 DG H1' H 1 5.928 0.003 26 1 . . . . A 2 DG H1' . 34145 1 13 . 1 1 2 2 DG H2' H 1 2.42 0.006 15 1 . . . . A 2 DG H2' . 34145 1 14 . 1 1 2 2 DG H2'' H 1 2.645 0.005 12 1 . . . . A 2 DG H2'' . 34145 1 15 . 1 1 2 2 DG H3' H 1 4.978 0.005 18 1 . . . . A 2 DG H3' . 34145 1 16 . 1 1 2 2 DG H4' H 1 4.447 0.004 15 1 . . . . A 2 DG H4' . 34145 1 17 . 1 1 2 2 DG H5' H 1 4.116 0.007 6 2 . . . . A 2 DG H5' . 34145 1 18 . 1 1 2 2 DG H5'' H 1 4.116 0.007 6 2 . . . . A 2 DG H5'' . 34145 1 19 . 1 1 2 2 DG H8 H 1 7.582 0.007 34 1 . . . . A 2 DG H8 . 34145 1 20 . 1 1 2 2 DG H21 H 1 8.414 0.012 3 1 . . . . A 2 DG H21 . 34145 1 21 . 1 1 2 2 DG C8 C 13 135.954 0 1 1 . . . . A 2 DG C8 . 34145 1 22 . 1 1 3 3 DG H1' H 1 5.635 0.004 23 1 . . . . A 3 DG H1' . 34145 1 23 . 1 1 3 3 DG H2' H 1 2.575 0.004 15 1 . . . . A 3 DG H2' . 34145 1 24 . 1 1 3 3 DG H2'' H 1 2.398 0.004 15 1 . . . . A 3 DG H2'' . 34145 1 25 . 1 1 3 3 DG H3' H 1 4.852 0.004 5 1 . . . . A 3 DG H3' . 34145 1 26 . 1 1 3 3 DG H4' H 1 4.452 0.004 17 1 . . . . A 3 DG H4' . 34145 1 27 . 1 1 3 3 DG H5' H 1 4.157 0.009 8 2 . . . . A 3 DG H5' . 34145 1 28 . 1 1 3 3 DG H5'' H 1 4.265 0.005 5 2 . . . . A 3 DG H5'' . 34145 1 29 . 1 1 3 3 DG H8 H 1 8.064 0.003 42 1 . . . . A 3 DG H8 . 34145 1 30 . 1 1 3 3 DG C8 C 13 137.686 0 1 1 . . . . A 3 DG C8 . 34145 1 31 . 1 1 4 4 DT H1' H 1 5.553 0.004 20 1 . . . . A 4 DT H1' . 34145 1 32 . 1 1 4 4 DT H2' H 1 1.683 0.002 13 1 . . . . A 4 DT H2' . 34145 1 33 . 1 1 4 4 DT H2'' H 1 1.902 0.002 9 1 . . . . A 4 DT H2'' . 34145 1 34 . 1 1 4 4 DT H3' H 1 4.33 0.003 20 1 . . . . A 4 DT H3' . 34145 1 35 . 1 1 4 4 DT H4' H 1 2.092 0.004 23 1 . . . . A 4 DT H4' . 34145 1 36 . 1 1 4 4 DT H5' H 1 3.156 0.003 17 1 . . . . A 4 DT H5' . 34145 1 37 . 1 1 4 4 DT H5'' H 1 3.234 0.007 18 1 . . . . A 4 DT H5'' . 34145 1 38 . 1 1 4 4 DT H6 H 1 6.913 0.003 36 1 . . . . A 4 DT H6 . 34145 1 39 . 1 1 4 4 DT H71 H 1 1.345 0.002 15 2 . . . . A 4 DT H71 . 34145 1 40 . 1 1 4 4 DT H72 H 1 1.345 0.002 15 2 . . . . A 4 DT H72 . 34145 1 41 . 1 1 4 4 DT H73 H 1 1.345 0.002 15 2 . . . . A 4 DT H73 . 34145 1 42 . 1 1 4 4 DT C6 C 13 137.602 0 1 1 . . . . A 4 DT C6 . 34145 1 43 . 1 1 5 5 DA H1' H 1 6.268 0.003 15 1 . . . . A 5 DA H1' . 34145 1 44 . 1 1 5 5 DA H2 H 1 7.987 0.002 33 1 . . . . A 5 DA H2 . 34145 1 45 . 1 1 5 5 DA H2' H 1 2.761 0.002 18 1 . . . . A 5 DA H2' . 34145 1 46 . 1 1 5 5 DA H2'' H 1 3.21 0.003 18 1 . . . . A 5 DA H2'' . 34145 1 47 . 1 1 5 5 DA H3' H 1 4.767 0.003 3 1 . . . . A 5 DA H3' . 34145 1 48 . 1 1 5 5 DA H4' H 1 4.252 0.005 8 1 . . . . A 5 DA H4' . 34145 1 49 . 1 1 5 5 DA H5' H 1 3.853 0.003 11 1 . . . . A 5 DA H5' . 34145 1 50 . 1 1 5 5 DA H5'' H 1 3.654 0.002 11 1 . . . . A 5 DA H5'' . 34145 1 51 . 1 1 5 5 DA H8 H 1 8.033 0.003 29 1 . . . . A 5 DA H8 . 34145 1 52 . 1 1 5 5 DA C2 C 13 153.584 0 1 1 . . . . A 5 DA C2 . 34145 1 53 . 1 1 6 6 DG H1 H 1 11.256 0.004 29 1 . . . . A 6 DG H1 . 34145 1 54 . 1 1 6 6 DG H1' H 1 5.644 0.005 26 1 . . . . A 6 DG H1' . 34145 1 55 . 1 1 6 6 DG H2' H 1 2.761 0.005 12 1 . . . . A 6 DG H2' . 34145 1 56 . 1 1 6 6 DG H2'' H 1 2.64 0.004 16 1 . . . . A 6 DG H2'' . 34145 1 57 . 1 1 6 6 DG H3' H 1 4.863 0.003 6 1 . . . . A 6 DG H3' . 34145 1 58 . 1 1 6 6 DG H4' H 1 4.338 0.003 12 1 . . . . A 6 DG H4' . 34145 1 59 . 1 1 6 6 DG H5' H 1 4.265 0.002 2 2 . . . . A 6 DG H5' . 34145 1 60 . 1 1 6 6 DG H5'' H 1 4.163 0.001 2 2 . . . . A 6 DG H5'' . 34145 1 61 . 1 1 6 6 DG H8 H 1 6.793 0.003 21 1 . . . . A 6 DG H8 . 34145 1 62 . 1 1 6 6 DG C8 C 13 139.772 0 1 1 . . . . A 6 DG C8 . 34145 1 63 . 1 1 7 7 DG H1 H 1 12.292 0.003 21 1 . . . . A 7 DG H1 . 34145 1 64 . 1 1 7 7 DG H1' H 1 5.645 0.005 20 1 . . . . A 7 DG H1' . 34145 1 65 . 1 1 7 7 DG H2' H 1 2.724 0.004 17 1 . . . . A 7 DG H2' . 34145 1 66 . 1 1 7 7 DG H2'' H 1 2.581 0.004 19 1 . . . . A 7 DG H2'' . 34145 1 67 . 1 1 7 7 DG H3' H 1 5.046 0.003 21 1 . . . . A 7 DG H3' . 34145 1 68 . 1 1 7 7 DG H4' H 1 4.429 0.006 21 1 . . . . A 7 DG H4' . 34145 1 69 . 1 1 7 7 DG H5' H 1 4.233 0.004 4 2 . . . . A 7 DG H5' . 34145 1 70 . 1 1 7 7 DG H5'' H 1 4.169 0.003 23 2 . . . . A 7 DG H5'' . 34145 1 71 . 1 1 7 7 DG H8 H 1 8.145 0.003 46 1 . . . . A 7 DG H8 . 34145 1 72 . 1 1 7 7 DG H21 H 1 9.91 0.005 2 1 . . . . A 7 DG H21 . 34145 1 73 . 1 1 7 7 DG H22 H 1 5.066 0.013 3 1 . . . . A 7 DG H22 . 34145 1 74 . 1 1 7 7 DG C8 C 13 138.15 0 1 1 . . . . A 7 DG C8 . 34145 1 75 . 1 1 8 8 DG H1 H 1 10.9 0.004 27 1 . . . . A 8 DG H1 . 34145 1 76 . 1 1 8 8 DG H1' H 1 5.939 0.003 24 1 . . . . A 8 DG H1' . 34145 1 77 . 1 1 8 8 DG H2' H 1 2.512 0.003 14 1 . . . . A 8 DG H2' . 34145 1 78 . 1 1 8 8 DG H2'' H 1 2.71 0.005 15 1 . . . . A 8 DG H2'' . 34145 1 79 . 1 1 8 8 DG H3' H 1 4.971 0.005 20 1 . . . . A 8 DG H3' . 34145 1 80 . 1 1 8 8 DG H4' H 1 4.546 0.002 15 1 . . . . A 8 DG H4' . 34145 1 81 . 1 1 8 8 DG H5' H 1 4.324 0.002 4 1 . . . . A 8 DG H5' . 34145 1 82 . 1 1 8 8 DG H5'' H 1 4.227 0.007 15 1 . . . . A 8 DG H5'' . 34145 1 83 . 1 1 8 8 DG H8 H 1 7.742 0.001 40 1 . . . . A 8 DG H8 . 34145 1 84 . 1 1 8 8 DG C8 C 13 136.076 0 1 1 . . . . A 8 DG C8 . 34145 1 85 . 1 1 9 9 DC H1' H 1 6.15 0.003 26 1 . . . . A 9 DC H1' . 34145 1 86 . 1 1 9 9 DC H2' H 1 2.364 0.009 15 1 . . . . A 9 DC H2' . 34145 1 87 . 1 1 9 9 DC H2'' H 1 2.534 0.007 21 1 . . . . A 9 DC H2'' . 34145 1 88 . 1 1 9 9 DC H3' H 1 4.67 0.003 9 1 . . . . A 9 DC H3' . 34145 1 89 . 1 1 9 9 DC H4' H 1 4.482 0.004 13 1 . . . . A 9 DC H4' . 34145 1 90 . 1 1 9 9 DC H5 H 1 6.11 0.003 9 1 . . . . A 9 DC H5 . 34145 1 91 . 1 1 9 9 DC H5' H 1 4.124 0.004 10 1 . . . . A 9 DC H5' . 34145 1 92 . 1 1 9 9 DC H5'' H 1 3.692 0.003 26 1 . . . . A 9 DC H5'' . 34145 1 93 . 1 1 9 9 DC H6 H 1 8.043 0.003 33 1 . . . . A 9 DC H6 . 34145 1 94 . 1 1 9 9 DC C6 C 13 142.683 0 1 1 . . . . A 9 DC C6 . 34145 1 95 . 1 1 10 10 DA H1' H 1 5.287 0.004 21 1 . . . . A 10 DA H1' . 34145 1 96 . 1 1 10 10 DA H2 H 1 7.632 0.002 25 1 . . . . A 10 DA H2 . 34145 1 97 . 1 1 10 10 DA H2' H 1 1.805 0.004 10 1 . . . . A 10 DA H2' . 34145 1 98 . 1 1 10 10 DA H2'' H 1 2.116 0.005 9 1 . . . . A 10 DA H2'' . 34145 1 99 . 1 1 10 10 DA H3' H 1 4.609 0.008 5 1 . . . . A 10 DA H3' . 34145 1 100 . 1 1 10 10 DA H4' H 1 3.74 0.006 22 1 . . . . A 10 DA H4' . 34145 1 101 . 1 1 10 10 DA H5' H 1 3.884 0.005 19 1 . . . . A 10 DA H5' . 34145 1 102 . 1 1 10 10 DA H5'' H 1 3.569 0.004 18 1 . . . . A 10 DA H5'' . 34145 1 103 . 1 1 10 10 DA H8 H 1 7.675 0.001 41 1 . . . . A 10 DA H8 . 34145 1 104 . 1 1 10 10 DA C2 C 13 153.2 0 1 1 . . . . A 10 DA C2 . 34145 1 105 . 1 1 10 10 DA C8 C 13 139.54 0 1 1 . . . . A 10 DA C8 . 34145 1 106 . 1 1 11 11 DG H1 H 1 10.996 0.003 30 1 . . . . A 11 DG H1 . 34145 1 107 . 1 1 11 11 DG H1' H 1 6.084 0.004 19 1 . . . . A 11 DG H1' . 34145 1 108 . 1 1 11 11 DG H2' H 1 2.946 0.007 19 1 . . . . A 11 DG H2' . 34145 1 109 . 1 1 11 11 DG H2'' H 1 2.711 0.007 20 1 . . . . A 11 DG H2'' . 34145 1 110 . 1 1 11 11 DG H3' H 1 6.085 0.005 4 1 . . . . A 11 DG H3' . 34145 1 111 . 1 1 11 11 DG H4' H 1 4.252 0.005 17 1 . . . . A 11 DG H4' . 34145 1 112 . 1 1 11 11 DG H5' H 1 4.086 0.023 3 2 . . . . A 11 DG H5' . 34145 1 113 . 1 1 11 11 DG H5'' H 1 3.94 0.002 3 2 . . . . A 11 DG H5'' . 34145 1 114 . 1 1 11 11 DG H8 H 1 7.125 0.002 37 1 . . . . A 11 DG H8 . 34145 1 115 . 1 1 11 11 DG C8 C 13 139.101 0 1 1 . . . . A 11 DG C8 . 34145 1 116 . 1 1 12 12 DG H1 H 1 11.702 0.003 18 1 . . . . A 12 DG H1 . 34145 1 117 . 1 1 12 12 DG H1' H 1 6.024 0.003 20 1 . . . . A 12 DG H1' . 34145 1 118 . 1 1 12 12 DG H2' H 1 2.939 0.007 18 1 . . . . A 12 DG H2' . 34145 1 119 . 1 1 12 12 DG H2'' H 1 2.729 0.003 12 1 . . . . A 12 DG H2'' . 34145 1 120 . 1 1 12 12 DG H3' H 1 4.952 0.007 11 1 . . . . A 12 DG H3' . 34145 1 121 . 1 1 12 12 DG H4' H 1 4.074 0.003 15 1 . . . . A 12 DG H4' . 34145 1 122 . 1 1 12 12 DG H5' H 1 4.42 0.004 9 2 . . . . A 12 DG H5' . 34145 1 123 . 1 1 12 12 DG H5'' H 1 4.42 0.004 9 2 . . . . A 12 DG H5'' . 34145 1 124 . 1 1 12 12 DG H8 H 1 7.064 0.003 29 1 . . . . A 12 DG H8 . 34145 1 125 . 1 1 12 12 DG C8 C 13 134.718 0 1 1 . . . . A 12 DG C8 . 34145 1 126 . 1 1 13 13 DG H1 H 1 11.761 0.002 19 1 . . . . A 13 DG H1 . 34145 1 127 . 1 1 13 13 DG H1' H 1 5.884 0.003 20 1 . . . . A 13 DG H1' . 34145 1 128 . 1 1 13 13 DG H2' H 1 2.985 0.007 19 1 . . . . A 13 DG H2' . 34145 1 129 . 1 1 13 13 DG H2'' H 1 2.434 0.005 16 1 . . . . A 13 DG H2'' . 34145 1 130 . 1 1 13 13 DG H3' H 1 4.703 0.005 7 1 . . . . A 13 DG H3' . 34145 1 131 . 1 1 13 13 DG H4' H 1 4.408 0.004 17 1 . . . . A 13 DG H4' . 34145 1 132 . 1 1 13 13 DG H5' H 1 4.07 0.001 6 1 . . . . A 13 DG H5' . 34145 1 133 . 1 1 13 13 DG H5'' H 1 4.366 0.006 4 1 . . . . A 13 DG H5'' . 34145 1 134 . 1 1 13 13 DG H8 H 1 7.681 0.002 48 1 . . . . A 13 DG H8 . 34145 1 135 . 1 1 13 13 DG H21 H 1 9.973 0.008 3 1 . . . . A 13 DG H21 . 34145 1 136 . 1 1 13 13 DG H22 H 1 6.824 0.009 3 1 . . . . A 13 DG H22 . 34145 1 137 . 1 1 13 13 DG C8 C 13 137.858 0 1 1 . . . . A 13 DG C8 . 34145 1 138 . 1 1 14 14 DG H1 H 1 11.098 0.002 30 1 . . . . A 14 DG H1 . 34145 1 139 . 1 1 14 14 DG H1' H 1 6.225 0.003 13 1 . . . . A 14 DG H1' . 34145 1 140 . 1 1 14 14 DG H2' H 1 2.388 0.004 14 2 . . . . A 14 DG H2' . 34145 1 141 . 1 1 14 14 DG H2'' H 1 2.388 0.004 14 2 . . . . A 14 DG H2'' . 34145 1 142 . 1 1 14 14 DG H3' H 1 4.758 0.002 3 1 . . . . A 14 DG H3' . 34145 1 143 . 1 1 14 14 DG H4' H 1 3.583 0.005 19 1 . . . . A 14 DG H4' . 34145 1 144 . 1 1 14 14 DG H5' H 1 3.473 0.003 18 1 . . . . A 14 DG H5' . 34145 1 145 . 1 1 14 14 DG H5'' H 1 3.033 0.005 12 1 . . . . A 14 DG H5'' . 34145 1 146 . 1 1 14 14 DG H8 H 1 7.832 0.002 38 1 . . . . A 14 DG H8 . 34145 1 147 . 1 1 14 14 DG H21 H 1 7.369 0.004 6 2 . . . . A 14 DG H21 . 34145 1 148 . 1 1 14 14 DG H22 H 1 7.369 0.004 6 2 . . . . A 14 DG H22 . 34145 1 149 . 1 1 14 14 DG C8 C 13 136.891 0 1 1 . . . . A 14 DG C8 . 34145 1 150 . 1 1 15 15 DA H1' H 1 6.386 0.004 27 1 . . . . A 15 DA H1' . 34145 1 151 . 1 1 15 15 DA H2 H 1 8.229 0.001 4 5 . . . . A 15 DA H2 . 34145 1 152 . 1 1 15 15 DA H2' H 1 3.115 0.004 22 1 . . . . A 15 DA H2' . 34145 1 153 . 1 1 15 15 DA H2'' H 1 2.802 0.003 18 1 . . . . A 15 DA H2'' . 34145 1 154 . 1 1 15 15 DA H3' H 1 4.962 0.003 13 1 . . . . A 15 DA H3' . 34145 1 155 . 1 1 15 15 DA H4' H 1 4.445 0.008 14 1 . . . . A 15 DA H4' . 34145 1 156 . 1 1 15 15 DA H5' H 1 4.118 0.006 9 2 . . . . A 15 DA H5' . 34145 1 157 . 1 1 15 15 DA H5'' H 1 4.118 0.006 9 2 . . . . A 15 DA H5'' . 34145 1 158 . 1 1 15 15 DA H8 H 1 8.312 0.001 32 1 . . . . A 15 DA H8 . 34145 1 159 . 1 1 15 15 DA C2 C 13 153.392 0 1 5 . . . . A 15 DA C2 . 34145 1 160 . 1 1 15 15 DA C8 C 13 142.3 0 1 1 . . . . A 15 DA C8 . 34145 1 161 . 1 1 16 16 DC H1' H 1 6.171 0.003 17 1 . . . . A 16 DC H1' . 34145 1 162 . 1 1 16 16 DC H2' H 1 2.003 0.003 14 1 . . . . A 16 DC H2' . 34145 1 163 . 1 1 16 16 DC H2'' H 1 2.413 0.003 16 1 . . . . A 16 DC H2'' . 34145 1 164 . 1 1 16 16 DC H3' H 1 4.839 0.005 7 1 . . . . A 16 DC H3' . 34145 1 165 . 1 1 16 16 DC H4' H 1 4.299 0.003 13 1 . . . . A 16 DC H4' . 34145 1 166 . 1 1 16 16 DC H5 H 1 5.971 0.003 3 1 . . . . A 16 DC H5 . 34145 1 167 . 1 1 16 16 DC H5' H 1 4.119 0.006 15 2 . . . . A 16 DC H5' . 34145 1 168 . 1 1 16 16 DC H5'' H 1 4.119 0.006 15 2 . . . . A 16 DC H5'' . 34145 1 169 . 1 1 16 16 DC H6 H 1 7.705 0.003 34 1 . . . . A 16 DC H6 . 34145 1 170 . 1 1 16 16 DC C6 C 13 143.584 0 1 1 . . . . A 16 DC C6 . 34145 1 171 . 1 1 17 17 DA H1' H 1 6.294 0.002 20 1 . . . . A 17 DA H1' . 34145 1 172 . 1 1 17 17 DA H2 H 1 8.227 0.004 6 5 . . . . A 17 DA H2 . 34145 1 173 . 1 1 17 17 DA H2' H 1 2.672 0.003 25 2 . . . . A 17 DA H2' . 34145 1 174 . 1 1 17 17 DA H2'' H 1 2.672 0.003 25 2 . . . . A 17 DA H2'' . 34145 1 175 . 1 1 17 17 DA H3' H 1 4.896 0.004 14 1 . . . . A 17 DA H3' . 34145 1 176 . 1 1 17 17 DA H4' H 1 4.359 0.003 14 1 . . . . A 17 DA H4' . 34145 1 177 . 1 1 17 17 DA H5' H 1 4.127 0.002 15 2 . . . . A 17 DA H5' . 34145 1 178 . 1 1 17 17 DA H5'' H 1 4.127 0.002 15 2 . . . . A 17 DA H5'' . 34145 1 179 . 1 1 17 17 DA H8 H 1 8.285 0.001 32 1 . . . . A 17 DA H8 . 34145 1 180 . 1 1 17 17 DA C2 C 13 153.592 0 1 5 . . . . A 17 DA C2 . 34145 1 181 . 1 1 17 17 DA C8 C 13 141.054 0 1 1 . . . . A 17 DA C8 . 34145 1 182 . 1 1 18 18 DC H1' H 1 6.136 0.003 15 1 . . . . A 18 DC H1' . 34145 1 183 . 1 1 18 18 DC H2' H 1 2.016 0.007 14 1 . . . . A 18 DC H2' . 34145 1 184 . 1 1 18 18 DC H2'' H 1 2.41 0.004 17 1 . . . . A 18 DC H2'' . 34145 1 185 . 1 1 18 18 DC H3' H 1 4.769 0.002 4 1 . . . . A 18 DC H3' . 34145 1 186 . 1 1 18 18 DC H4' H 1 4.259 0.001 11 1 . . . . A 18 DC H4' . 34145 1 187 . 1 1 18 18 DC H5 H 1 5.823 0.004 9 1 . . . . A 18 DC H5 . 34145 1 188 . 1 1 18 18 DC H5' H 1 4.128 0.004 6 2 . . . . A 18 DC H5' . 34145 1 189 . 1 1 18 18 DC H5'' H 1 4.043 0.005 9 2 . . . . A 18 DC H5'' . 34145 1 190 . 1 1 18 18 DC H6 H 1 7.602 0.003 33 1 . . . . A 18 DC H6 . 34145 1 191 . 1 1 18 18 DC C6 C 13 143.764 0 1 1 . . . . A 18 DC C6 . 34145 1 192 . 1 1 19 19 DA H1' H 1 6.237 0.003 19 1 . . . . A 19 DA H1' . 34145 1 193 . 1 1 19 19 DA H2 H 1 8.021 0.005 14 1 . . . . A 19 DA H2 . 34145 1 194 . 1 1 19 19 DA H2' H 1 2.763 0.002 17 1 . . . . A 19 DA H2' . 34145 1 195 . 1 1 19 19 DA H2'' H 1 2.598 0.005 17 1 . . . . A 19 DA H2'' . 34145 1 196 . 1 1 19 19 DA H3' H 1 4.938 0.003 12 1 . . . . A 19 DA H3' . 34145 1 197 . 1 1 19 19 DA H4' H 1 4.298 0.004 18 1 . . . . A 19 DA H4' . 34145 1 198 . 1 1 19 19 DA H5' H 1 3.969 0.005 15 1 . . . . A 19 DA H5' . 34145 1 199 . 1 1 19 19 DA H5'' H 1 3.864 0.004 16 1 . . . . A 19 DA H5'' . 34145 1 200 . 1 1 19 19 DA H8 H 1 8.273 0.001 37 1 . . . . A 19 DA H8 . 34145 1 201 . 1 1 19 19 DA C2 C 13 153.732 0 1 1 . . . . A 19 DA C2 . 34145 1 202 . 1 1 19 19 DA C8 C 13 141.065 0 1 1 . . . . A 19 DA C8 . 34145 1 203 . 1 1 20 20 DG H1 H 1 12.113 0.001 27 1 . . . . A 20 DG H1 . 34145 1 204 . 1 1 20 20 DG H1' H 1 6.067 0.002 22 1 . . . . A 20 DG H1' . 34145 1 205 . 1 1 20 20 DG H2' H 1 3.599 0.004 24 1 . . . . A 20 DG H2' . 34145 1 206 . 1 1 20 20 DG H2'' H 1 3.141 0.007 29 1 . . . . A 20 DG H2'' . 34145 1 207 . 1 1 20 20 DG H3' H 1 5.1 0.005 23 1 . . . . A 20 DG H3' . 34145 1 208 . 1 1 20 20 DG H4' H 1 4.4 0.004 16 1 . . . . A 20 DG H4' . 34145 1 209 . 1 1 20 20 DG H5' H 1 4.041 0.004 17 2 . . . . A 20 DG H5' . 34145 1 210 . 1 1 20 20 DG H5'' H 1 4.147 0.007 17 2 . . . . A 20 DG H5'' . 34145 1 211 . 1 1 20 20 DG H8 H 1 7.518 0.002 35 1 . . . . A 20 DG H8 . 34145 1 212 . 1 1 20 20 DG H21 H 1 7.546 0.01 6 2 . . . . A 20 DG H21 . 34145 1 213 . 1 1 20 20 DG H22 H 1 7.546 0.01 6 2 . . . . A 20 DG H22 . 34145 1 214 . 1 1 20 20 DG C8 C 13 141.875 0 1 1 . . . . A 20 DG C8 . 34145 1 215 . 1 1 21 21 DG H1 H 1 11.592 0.005 19 1 . . . . A 21 DG H1 . 34145 1 216 . 1 1 21 21 DG H1' H 1 5.976 0.003 24 1 . . . . A 21 DG H1' . 34145 1 217 . 1 1 21 21 DG H2' H 1 2.802 0.002 14 1 . . . . A 21 DG H2' . 34145 1 218 . 1 1 21 21 DG H2'' H 1 2.7 0.003 15 1 . . . . A 21 DG H2'' . 34145 1 219 . 1 1 21 21 DG H3' H 1 5.126 0.005 22 1 . . . . A 21 DG H3' . 34145 1 220 . 1 1 21 21 DG H4' H 1 4.454 0.004 14 1 . . . . A 21 DG H4' . 34145 1 221 . 1 1 21 21 DG H5' H 1 4.455 0.004 9 1 . . . . A 21 DG H5' . 34145 1 222 . 1 1 21 21 DG H5'' H 1 4.288 0.002 16 1 . . . . A 21 DG H5'' . 34145 1 223 . 1 1 21 21 DG H8 H 1 8.265 0.002 50 1 . . . . A 21 DG H8 . 34145 1 224 . 1 1 21 21 DG H21 H 1 9.459 0.006 3 1 . . . . A 21 DG H21 . 34145 1 225 . 1 1 21 21 DG H22 H 1 6.224 0.007 5 1 . . . . A 21 DG H22 . 34145 1 226 . 1 1 21 21 DG C8 C 13 137.867 0 1 1 . . . . A 21 DG C8 . 34145 1 227 . 1 1 22 22 DG H1 H 1 11.255 0.003 29 1 . . . . A 22 DG H1 . 34145 1 228 . 1 1 22 22 DG H1' H 1 6.217 0.002 26 1 . . . . A 22 DG H1' . 34145 1 229 . 1 1 22 22 DG H2' H 1 2.506 0.002 22 1 . . . . A 22 DG H2' . 34145 1 230 . 1 1 22 22 DG H2'' H 1 2.989 0.002 23 1 . . . . A 22 DG H2'' . 34145 1 231 . 1 1 22 22 DG H3' H 1 4.998 0.005 23 1 . . . . A 22 DG H3' . 34145 1 232 . 1 1 22 22 DG H4' H 1 4.541 0.003 9 1 . . . . A 22 DG H4' . 34145 1 233 . 1 1 22 22 DG H5' H 1 4.252 0.005 14 1 . . . . A 22 DG H5' . 34145 1 234 . 1 1 22 22 DG H5'' H 1 4.326 0.003 7 1 . . . . A 22 DG H5'' . 34145 1 235 . 1 1 22 22 DG H8 H 1 7.584 0.004 46 1 . . . . A 22 DG H8 . 34145 1 236 . 1 1 22 22 DG C8 C 13 135.988 0 1 1 . . . . A 22 DG C8 . 34145 1 237 . 1 1 23 23 DT H1' H 1 5.971 0.002 16 1 . . . . A 23 DT H1' . 34145 1 238 . 1 1 23 23 DT H2' H 1 2.096 0.003 15 1 . . . . A 23 DT H2' . 34145 1 239 . 1 1 23 23 DT H2'' H 1 1.941 0.002 14 1 . . . . A 23 DT H2'' . 34145 1 240 . 1 1 23 23 DT H3' H 1 4.468 0.008 12 1 . . . . A 23 DT H3' . 34145 1 241 . 1 1 23 23 DT H4' H 1 3.938 0.004 18 1 . . . . A 23 DT H4' . 34145 1 242 . 1 1 23 23 DT H5' H 1 4.251 0.004 8 1 . . . . A 23 DT H5' . 34145 1 243 . 1 1 23 23 DT H5'' H 1 4.072 0.005 6 1 . . . . A 23 DT H5'' . 34145 1 244 . 1 1 23 23 DT H6 H 1 7.132 0.003 42 1 . . . . A 23 DT H6 . 34145 1 245 . 1 1 23 23 DT H71 H 1 1.491 0.002 21 2 . . . . A 23 DT H71 . 34145 1 246 . 1 1 23 23 DT H72 H 1 1.491 0.002 21 2 . . . . A 23 DT H72 . 34145 1 247 . 1 1 23 23 DT H73 H 1 1.491 0.002 21 2 . . . . A 23 DT H73 . 34145 1 248 . 1 1 23 23 DT C6 C 13 136.655 0 1 1 . . . . A 23 DT C6 . 34145 1 stop_ save_