################################### # 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 36168 _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 $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' 1 $sample_1 anisotropic 36168 1 2 '2D 1H-1H TOCSY' 1 $sample_1 anisotropic 36168 1 3 '2D DQF-COSY' 1 $sample_1 anisotropic 36168 1 4 '2D 1H-13C HSQC' 1 $sample_1 anisotropic 36168 1 5 '2D 1H-1H NOESY' 2 $sample_2 anisotropic 36168 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 11.711 . . . . . . . A 1 DG H1 . 36168 1 2 . 1 1 1 1 DG H1' H 1 5.703 . . . . . . . A 1 DG H1' . 36168 1 3 . 1 1 1 1 DG H2' H 1 2.461 . . . . . . . A 1 DG H2' . 36168 1 4 . 1 1 1 1 DG H2'' H 1 2.220 . . . . . . . A 1 DG H2'' . 36168 1 5 . 1 1 1 1 DG H3' H 1 4.619 . . . . . . . A 1 DG H3' . 36168 1 6 . 1 1 1 1 DG H4' H 1 4.149 . . . . . . . A 1 DG H4' . 36168 1 7 . 1 1 1 1 DG H5' H 1 3.907 . . . . . . . A 1 DG H5' . 36168 1 8 . 1 1 1 1 DG H5'' H 1 3.901 . . . . . . . A 1 DG H5'' . 36168 1 9 . 1 1 1 1 DG H8 H 1 7.079 . . . . . . . A 1 DG H8 . 36168 1 10 . 1 1 1 1 DG H21 H 1 5.531 . . . . . . . A 1 DG H21 . 36168 1 11 . 1 1 1 1 DG H22 H 1 8.276 . . . . . . . A 1 DG H22 . 36168 1 12 . 1 1 1 1 DG C8 C 13 119.475 . . . . . . . A 1 DG C8 . 36168 1 13 . 1 1 1 1 DG P P 31 -0.888 . . . . . . . A 1 DG P . 36168 1 14 . 1 1 2 2 DG H1 H 1 11.580 . . . . . . . A 2 DG H1 . 36168 1 15 . 1 1 2 2 DG H1' H 1 5.592 . . . . . . . A 2 DG H1' . 36168 1 16 . 1 1 2 2 DG H2' H 1 2.102 . . . . . . . A 2 DG H2' . 36168 1 17 . 1 1 2 2 DG H2'' H 1 2.401 . . . . . . . A 2 DG H2'' . 36168 1 18 . 1 1 2 2 DG H3' H 1 4.995 . . . . . . . A 2 DG H3' . 36168 1 19 . 1 1 2 2 DG H4' H 1 3.960 . . . . . . . A 2 DG H4' . 36168 1 20 . 1 1 2 2 DG H5' H 1 3.506 . . . . . . . A 2 DG H5' . 36168 1 21 . 1 1 2 2 DG H5'' H 1 3.309 . . . . . . . A 2 DG H5'' . 36168 1 22 . 1 1 2 2 DG H8 H 1 7.331 . . . . . . . A 2 DG H8 . 36168 1 23 . 1 1 2 2 DG H21 H 1 6.036 . . . . . . . A 2 DG H21 . 36168 1 24 . 1 1 2 2 DG H22 H 1 8.515 . . . . . . . A 2 DG H22 . 36168 1 25 . 1 1 2 2 DG C8 C 13 117.070 . . . . . . . A 2 DG C8 . 36168 1 26 . 1 1 2 2 DG P P 31 -1.242 . . . . . . . A 2 DG P . 36168 1 27 . 1 1 3 3 DG H1' H 1 5.317 . . . . . . . A 3 DG H1' . 36168 1 28 . 1 1 3 3 DG H2' H 1 2.216 . . . . . . . A 3 DG H2' . 36168 1 29 . 1 1 3 3 DG H2'' H 1 2.275 . . . . . . . A 3 DG H2'' . 36168 1 30 . 1 1 3 3 DG H3' H 1 4.937 . . . . . . . A 3 DG H3' . 36168 1 31 . 1 1 3 3 DG H4' H 1 4.145 . . . . . . . A 3 DG H4' . 36168 1 32 . 1 1 3 3 DG H5' H 1 4.084 . . . . . . . A 3 DG H5' . 36168 1 33 . 1 1 3 3 DG H5'' H 1 3.962 . . . . . . . A 3 DG H5'' . 36168 1 34 . 1 1 3 3 DG H8 H 1 7.682 . . . . . . . A 3 DG H8 . 36168 1 35 . 1 1 3 3 DG P P 31 -0.323 . . . . . . . A 3 DG P . 36168 1 36 . 1 1 4 4 DT H1' H 1 5.087 . . . . . . . A 4 DT H1' . 36168 1 37 . 1 1 4 4 DT H2' H 1 1.654 . . . . . . . A 4 DT H2' . 36168 1 38 . 1 1 4 4 DT H2'' H 1 1.398 . . . . . . . A 4 DT H2'' . 36168 1 39 . 1 1 4 4 DT H4' H 1 4.198 . . . . . . . A 4 DT H4' . 36168 1 40 . 1 1 4 4 DT H5' H 1 3.766 . . . . . . . A 4 DT H5' . 36168 1 41 . 1 1 4 4 DT H5'' H 1 4.094 . . . . . . . A 4 DT H5'' . 36168 1 42 . 1 1 4 4 DT H6 H 1 6.748 . . . . . . . A 4 DT H6 . 36168 1 43 . 1 1 4 4 DT H71 H 1 1.223 . . . . . . . A 4 DT H71 . 36168 1 44 . 1 1 4 4 DT H72 H 1 1.223 . . . . . . . A 4 DT H72 . 36168 1 45 . 1 1 4 4 DT H73 H 1 1.223 . . . . . . . A 4 DT H73 . 36168 1 46 . 1 1 4 4 DT P P 31 -0.771 . . . . . . . A 4 DT P . 36168 1 47 . 1 1 5 5 DA H1' H 1 6.366 . . . . . . . A 5 DA H1' . 36168 1 48 . 1 1 5 5 DA H3' H 1 4.992 . . . . . . . A 5 DA H3' . 36168 1 49 . 1 1 5 5 DA H4' H 1 4.300 . . . . . . . A 5 DA H4' . 36168 1 50 . 1 1 5 5 DA H8 H 1 7.738 . . . . . . . A 5 DA H8 . 36168 1 51 . 1 1 5 5 DA H61 H 1 6.552 . . . . . . . A 5 DA H61 . 36168 1 52 . 1 1 5 5 DA H62 H 1 6.552 . . . . . . . A 5 DA H62 . 36168 1 53 . 1 1 5 5 DA P P 31 -1.339 . . . . . . . A 5 DA P . 36168 1 54 . 1 1 6 6 DC H3' H 1 5.763 . . . . . . . A 6 DC H3' . 36168 1 55 . 1 1 6 6 DC H4' H 1 4.149 . . . . . . . A 6 DC H4' . 36168 1 56 . 1 1 6 6 DC H5 H 1 5.346 . . . . . . . A 6 DC H5 . 36168 1 57 . 1 1 6 6 DC H6 H 1 7.113 . . . . . . . A 6 DC H6 . 36168 1 58 . 1 1 6 6 DC P P 31 -1.006 . . . . . . . A 6 DC P . 36168 1 59 . 1 1 7 7 DC H1' H 1 5.629 . . . . . . . A 7 DC H1' . 36168 1 60 . 1 1 7 7 DC H2' H 1 1.628 . . . . . . . A 7 DC H2' . 36168 1 61 . 1 1 7 7 DC H2'' H 1 1.996 . . . . . . . A 7 DC H2'' . 36168 1 62 . 1 1 7 7 DC H3' H 1 4.695 . . . . . . . A 7 DC H3' . 36168 1 63 . 1 1 7 7 DC H4' H 1 4.322 . . . . . . . A 7 DC H4' . 36168 1 64 . 1 1 7 7 DC H5 H 1 5.022 . . . . . . . A 7 DC H5 . 36168 1 65 . 1 1 7 7 DC H5' H 1 3.505 . . . . . . . A 7 DC H5' . 36168 1 66 . 1 1 7 7 DC H5'' H 1 3.308 . . . . . . . A 7 DC H5'' . 36168 1 67 . 1 1 7 7 DC H6 H 1 7.025 . . . . . . . A 7 DC H6 . 36168 1 68 . 1 1 7 7 DC P P 31 0.224 . . . . . . . A 7 DC P . 36168 1 69 . 1 1 8 8 DC H1' H 1 5.533 . . . . . . . A 8 DC H1' . 36168 1 70 . 1 1 8 8 DC H2' H 1 1.848 . . . . . . . A 8 DC H2' . 36168 1 71 . 1 1 8 8 DC H2'' H 1 2.117 . . . . . . . A 8 DC H2'' . 36168 1 72 . 1 1 8 8 DC H3' H 1 4.409 . . . . . . . A 8 DC H3' . 36168 1 73 . 1 1 8 8 DC H4' H 1 4.128 . . . . . . . A 8 DC H4' . 36168 1 74 . 1 1 8 8 DC H5 H 1 5.565 . . . . . . . A 8 DC H5 . 36168 1 75 . 1 1 8 8 DC H5' H 1 3.167 . . . . . . . A 8 DC H5' . 36168 1 76 . 1 1 8 8 DC H5'' H 1 3.394 . . . . . . . A 8 DC H5'' . 36168 1 77 . 1 1 8 8 DC H6 H 1 7.185 . . . . . . . A 8 DC H6 . 36168 1 78 . 1 1 8 8 DC P P 31 -0.326 . . . . . . . A 8 DC P . 36168 1 79 . 1 1 9 9 DG H1 H 1 11.996 . . . . . . . A 9 DG H1 . 36168 1 80 . 1 1 9 9 DG H1' H 1 5.665 . . . . . . . A 9 DG H1' . 36168 1 81 . 1 1 9 9 DG H2' H 1 3.167 . . . . . . . A 9 DG H2' . 36168 1 82 . 1 1 9 9 DG H2'' H 1 2.730 . . . . . . . A 9 DG H2'' . 36168 1 83 . 1 1 9 9 DG H3' H 1 4.653 . . . . . . . A 9 DG H3' . 36168 1 84 . 1 1 9 9 DG H4' H 1 4.236 . . . . . . . A 9 DG H4' . 36168 1 85 . 1 1 9 9 DG H5' H 1 3.799 . . . . . . . A 9 DG H5' . 36168 1 86 . 1 1 9 9 DG H5'' H 1 4.026 . . . . . . . A 9 DG H5'' . 36168 1 87 . 1 1 9 9 DG H8 H 1 7.290 . . . . . . . A 9 DG H8 . 36168 1 88 . 1 1 9 9 DG H21 H 1 7.185 . . . . . . . A 9 DG H21 . 36168 1 89 . 1 1 9 9 DG H22 H 1 8.199 . . . . . . . A 9 DG H22 . 36168 1 90 . 1 1 9 9 DG C8 C 13 119.969 . . . . . . . A 9 DG C8 . 36168 1 91 . 1 1 9 9 DG P P 31 -1.673 . . . . . . . A 9 DG P . 36168 1 92 . 1 1 10 10 DG H1 H 1 11.335 . . . . . . . A 10 DG H1 . 36168 1 93 . 1 1 10 10 DG H1' H 1 5.733 . . . . . . . A 10 DG H1' . 36168 1 94 . 1 1 10 10 DG H2' H 1 2.671 . . . . . . . A 10 DG H2' . 36168 1 95 . 1 1 10 10 DG H2'' H 1 2.467 . . . . . . . A 10 DG H2'' . 36168 1 96 . 1 1 10 10 DG H3' H 1 4.651 . . . . . . . A 10 DG H3' . 36168 1 97 . 1 1 10 10 DG H4' H 1 4.244 . . . . . . . A 10 DG H4' . 36168 1 98 . 1 1 10 10 DG H5' H 1 4.064 . . . . . . . A 10 DG H5' . 36168 1 99 . 1 1 10 10 DG H5'' H 1 3.899 . . . . . . . A 10 DG H5'' . 36168 1 100 . 1 1 10 10 DG H8 H 1 8.043 . . . . . . . A 10 DG H8 . 36168 1 101 . 1 1 10 10 DG H21 H 1 6.428 . . . . . . . A 10 DG H21 . 36168 1 102 . 1 1 10 10 DG H22 H 1 9.448 . . . . . . . A 10 DG H22 . 36168 1 103 . 1 1 10 10 DG C8 C 13 116.831 . . . . . . . A 10 DG C8 . 36168 1 104 . 1 1 10 10 DG P P 31 -1.343 . . . . . . . A 10 DG P . 36168 1 105 . 1 1 11 11 DG H1 H 1 11.004 . . . . . . . A 11 DG H1 . 36168 1 106 . 1 1 11 11 DG H1' H 1 6.183 . . . . . . . A 11 DG H1' . 36168 1 107 . 1 1 11 11 DG H2' H 1 2.378 . . . . . . . A 11 DG H2' . 36168 1 108 . 1 1 11 11 DG H2'' H 1 2.383 . . . . . . . A 11 DG H2'' . 36168 1 109 . 1 1 11 11 DG H3' H 1 4.489 . . . . . . . A 11 DG H3' . 36168 1 110 . 1 1 11 11 DG H4' H 1 4.140 . . . . . . . A 11 DG H4' . 36168 1 111 . 1 1 11 11 DG H5' H 1 4.032 . . . . . . . A 11 DG H5' . 36168 1 112 . 1 1 11 11 DG H5'' H 1 4.025 . . . . . . . A 11 DG H5'' . 36168 1 113 . 1 1 11 11 DG H8 H 1 7.428 . . . . . . . A 11 DG H8 . 36168 1 114 . 1 1 11 11 DG H21 H 1 6.221 . . . . . . . A 11 DG H21 . 36168 1 115 . 1 1 11 11 DG H22 H 1 8.276 . . . . . . . A 11 DG H22 . 36168 1 116 . 1 1 11 11 DG C8 C 13 116.980 . . . . . . . A 11 DG C8 . 36168 1 117 . 1 1 11 11 DG P P 31 -0.778 . . . . . . . A 11 DG P . 36168 1 118 . 1 1 12 12 DT H1' H 1 5.847 . . . . . . . A 12 DT H1' . 36168 1 119 . 1 1 12 12 DT H2' H 1 1.946 . . . . . . . A 12 DT H2' . 36168 1 120 . 1 1 12 12 DT H2'' H 1 2.156 . . . . . . . A 12 DT H2'' . 36168 1 121 . 1 1 12 12 DT H3' H 1 4.720 . . . . . . . A 12 DT H3' . 36168 1 122 . 1 1 12 12 DT H4' H 1 4.226 . . . . . . . A 12 DT H4' . 36168 1 123 . 1 1 12 12 DT H5' H 1 3.801 . . . . . . . A 12 DT H5' . 36168 1 124 . 1 1 12 12 DT H5'' H 1 3.801 . . . . . . . A 12 DT H5'' . 36168 1 125 . 1 1 12 12 DT H6 H 1 7.470 . . . . . . . A 12 DT H6 . 36168 1 126 . 1 1 12 12 DT H71 H 1 1.682 . . . . . . . A 12 DT H71 . 36168 1 127 . 1 1 12 12 DT H72 H 1 1.682 . . . . . . . A 12 DT H72 . 36168 1 128 . 1 1 12 12 DT H73 H 1 1.682 . . . . . . . A 12 DT H73 . 36168 1 129 . 1 1 12 12 DT P P 31 -0.977 . . . . . . . A 12 DT P . 36168 1 130 . 1 1 13 13 DG H1 H 1 11.226 . . . . . . . A 13 DG H1 . 36168 1 131 . 1 1 13 13 DG H1' H 1 5.828 . . . . . . . A 13 DG H1' . 36168 1 132 . 1 1 13 13 DG H2' H 1 1.936 . . . . . . . A 13 DG H2' . 36168 1 133 . 1 1 13 13 DG H2'' H 1 2.151 . . . . . . . A 13 DG H2'' . 36168 1 134 . 1 1 13 13 DG H3' H 1 4.955 . . . . . . . A 13 DG H3' . 36168 1 135 . 1 1 13 13 DG H4' H 1 4.322 . . . . . . . A 13 DG H4' . 36168 1 136 . 1 1 13 13 DG H8 H 1 7.083 . . . . . . . A 13 DG H8 . 36168 1 137 . 1 1 13 13 DG H21 H 1 5.904 . . . . . . . A 13 DG H21 . 36168 1 138 . 1 1 13 13 DG H22 H 1 9.352 . . . . . . . A 13 DG H22 . 36168 1 139 . 1 1 13 13 DG P P 31 0.219 . . . . . . . A 13 DG P . 36168 1 140 . 1 1 14 14 DA H1' H 1 6.356 . . . . . . . A 14 DA H1' . 36168 1 141 . 1 1 14 14 DA H2' H 1 2.314 . . . . . . . A 14 DA H2' . 36168 1 142 . 1 1 14 14 DA H2'' H 1 2.548 . . . . . . . A 14 DA H2'' . 36168 1 143 . 1 1 14 14 DA H3' H 1 4.735 . . . . . . . A 14 DA H3' . 36168 1 144 . 1 1 14 14 DA H4' H 1 4.184 . . . . . . . A 14 DA H4' . 36168 1 145 . 1 1 14 14 DA H5' H 1 3.774 . . . . . . . A 14 DA H5' . 36168 1 146 . 1 1 14 14 DA H5'' H 1 4.057 . . . . . . . A 14 DA H5'' . 36168 1 147 . 1 1 14 14 DA H8 H 1 8.121 . . . . . . . A 14 DA H8 . 36168 1 148 . 1 1 14 14 DA H61 H 1 6.558 . . . . . . . A 14 DA H61 . 36168 1 149 . 1 1 14 14 DA H62 H 1 6.558 . . . . . . . A 14 DA H62 . 36168 1 150 . 1 1 14 14 DA P P 31 -0.782 . . . . . . . A 14 DA P . 36168 1 151 . 1 1 15 15 DG H1 H 1 11.354 . . . . . . . A 15 DG H1 . 36168 1 152 . 1 1 15 15 DG H1' H 1 5.840 . . . . . . . A 15 DG H1' . 36168 1 153 . 1 1 15 15 DG H2' H 1 2.550 . . . . . . . A 15 DG H2' . 36168 1 154 . 1 1 15 15 DG H2'' H 1 2.033 . . . . . . . A 15 DG H2'' . 36168 1 155 . 1 1 15 15 DG H3' H 1 4.598 . . . . . . . A 15 DG H3' . 36168 1 156 . 1 1 15 15 DG H4' H 1 4.268 . . . . . . . A 15 DG H4' . 36168 1 157 . 1 1 15 15 DG H5' H 1 3.621 . . . . . . . A 15 DG H5' . 36168 1 158 . 1 1 15 15 DG H5'' H 1 3.621 . . . . . . . A 15 DG H5'' . 36168 1 159 . 1 1 15 15 DG H8 H 1 7.063 . . . . . . . A 15 DG H8 . 36168 1 160 . 1 1 15 15 DG H21 H 1 5.661 . . . . . . . A 15 DG H21 . 36168 1 161 . 1 1 15 15 DG H22 H 1 9.887 . . . . . . . A 15 DG H22 . 36168 1 162 . 1 1 15 15 DG C8 C 13 117.746 . . . . . . . A 15 DG C8 . 36168 1 163 . 1 1 15 15 DG P P 31 -0.387 . . . . . . . A 15 DG P . 36168 1 164 . 1 1 16 16 DG H1 H 1 11.349 . . . . . . . A 16 DG H1 . 36168 1 165 . 1 1 16 16 DG H1' H 1 6.091 . . . . . . . A 16 DG H1' . 36168 1 166 . 1 1 16 16 DG H2' H 1 2.404 . . . . . . . A 16 DG H2' . 36168 1 167 . 1 1 16 16 DG H2'' H 1 2.543 . . . . . . . A 16 DG H2'' . 36168 1 168 . 1 1 16 16 DG H3' H 1 4.688 . . . . . . . A 16 DG H3' . 36168 1 169 . 1 1 16 16 DG H4' H 1 4.315 . . . . . . . A 16 DG H4' . 36168 1 170 . 1 1 16 16 DG H5' H 1 3.858 . . . . . . . A 16 DG H5' . 36168 1 171 . 1 1 16 16 DG H5'' H 1 4.026 . . . . . . . A 16 DG H5'' . 36168 1 172 . 1 1 16 16 DG H8 H 1 7.522 . . . . . . . A 16 DG H8 . 36168 1 173 . 1 1 16 16 DG H21 H 1 5.360 . . . . . . . A 16 DG H21 . 36168 1 174 . 1 1 16 16 DG H22 H 1 9.901 . . . . . . . A 16 DG H22 . 36168 1 175 . 1 1 16 16 DG C8 C 13 117.072 . . . . . . . A 16 DG C8 . 36168 1 176 . 1 1 16 16 DG P P 31 -0.631 . . . . . . . A 16 DG P . 36168 1 177 . 1 1 17 17 DT H1' H 1 6.016 . . . . . . . A 17 DT H1' . 36168 1 178 . 1 1 17 17 DT H2' H 1 2.217 . . . . . . . A 17 DT H2' . 36168 1 179 . 1 1 17 17 DT H2'' H 1 2.071 . . . . . . . A 17 DT H2'' . 36168 1 180 . 1 1 17 17 DT H3' H 1 4.513 . . . . . . . A 17 DT H3' . 36168 1 181 . 1 1 17 17 DT H4' H 1 4.053 . . . . . . . A 17 DT H4' . 36168 1 182 . 1 1 17 17 DT H5' H 1 3.895 . . . . . . . A 17 DT H5' . 36168 1 183 . 1 1 17 17 DT H5'' H 1 3.895 . . . . . . . A 17 DT H5'' . 36168 1 184 . 1 1 17 17 DT H6 H 1 7.368 . . . . . . . A 17 DT H6 . 36168 1 185 . 1 1 17 17 DT H71 H 1 1.454 . . . . . . . A 17 DT H71 . 36168 1 186 . 1 1 17 17 DT H72 H 1 1.454 . . . . . . . A 17 DT H72 . 36168 1 187 . 1 1 17 17 DT H73 H 1 1.454 . . . . . . . A 17 DT H73 . 36168 1 188 . 1 1 17 17 DT P P 31 -0.424 . . . . . . . A 17 DT P . 36168 1 189 . 1 1 18 18 DG H1' H 1 5.926 . . . . . . . A 18 DG H1' . 36168 1 190 . 1 1 18 18 DG H2' H 1 1.981 . . . . . . . A 18 DG H2' . 36168 1 191 . 1 1 18 18 DG H2'' H 1 2.373 . . . . . . . A 18 DG H2'' . 36168 1 192 . 1 1 18 18 DG H3' H 1 4.761 . . . . . . . A 18 DG H3' . 36168 1 193 . 1 1 18 18 DG H4' H 1 4.283 . . . . . . . A 18 DG H4' . 36168 1 194 . 1 1 18 18 DG H5' H 1 3.864 . . . . . . . A 18 DG H5' . 36168 1 195 . 1 1 18 18 DG H5'' H 1 3.742 . . . . . . . A 18 DG H5'' . 36168 1 196 . 1 1 18 18 DG H8 H 1 7.237 . . . . . . . A 18 DG H8 . 36168 1 197 . 1 1 18 18 DG P P 31 -0.973 . . . . . . . A 18 DG P . 36168 1 198 . 1 1 19 19 DC H1' H 1 5.344 . . . . . . . A 19 DC H1' . 36168 1 199 . 1 1 19 19 DC H2' H 1 1.827 . . . . . . . A 19 DC H2' . 36168 1 200 . 1 1 19 19 DC H2'' H 1 2.041 . . . . . . . A 19 DC H2'' . 36168 1 201 . 1 1 19 19 DC H3' H 1 5.003 . . . . . . . A 19 DC H3' . 36168 1 202 . 1 1 19 19 DC H4' H 1 4.405 . . . . . . . A 19 DC H4' . 36168 1 203 . 1 1 19 19 DC H5 H 1 5.338 . . . . . . . A 19 DC H5 . 36168 1 204 . 1 1 19 19 DC H5' H 1 3.703 . . . . . . . A 19 DC H5' . 36168 1 205 . 1 1 19 19 DC H5'' H 1 3.858 . . . . . . . A 19 DC H5'' . 36168 1 206 . 1 1 19 19 DC H6 H 1 7.242 . . . . . . . A 19 DC H6 . 36168 1 207 . 1 1 19 19 DC P P 31 -0.774 . . . . . . . A 19 DC P . 36168 1 208 . 1 1 20 20 DG H1 H 1 10.939 . . . . . . . A 20 DG H1 . 36168 1 209 . 1 1 20 20 DG H1' H 1 5.925 . . . . . . . A 20 DG H1' . 36168 1 210 . 1 1 20 20 DG H2' H 1 2.662 . . . . . . . A 20 DG H2' . 36168 1 211 . 1 1 20 20 DG H2'' H 1 2.505 . . . . . . . A 20 DG H2'' . 36168 1 212 . 1 1 20 20 DG H3' H 1 5.534 . . . . . . . A 20 DG H3' . 36168 1 213 . 1 1 20 20 DG H4' H 1 3.967 . . . . . . . A 20 DG H4' . 36168 1 214 . 1 1 20 20 DG H5' H 1 3.753 . . . . . . . A 20 DG H5' . 36168 1 215 . 1 1 20 20 DG H5'' H 1 3.501 . . . . . . . A 20 DG H5'' . 36168 1 216 . 1 1 20 20 DG H8 H 1 7.083 . . . . . . . A 20 DG H8 . 36168 1 217 . 1 1 20 20 DG H21 H 1 5.388 . . . . . . . A 20 DG H21 . 36168 1 218 . 1 1 20 20 DG H22 H 1 7.024 . . . . . . . A 20 DG H22 . 36168 1 219 . 1 1 20 20 DG C8 C 13 118.586 . . . . . . . A 20 DG C8 . 36168 1 220 . 1 1 20 20 DG P P 31 -1.677 . . . . . . . A 20 DG P . 36168 1 221 . 1 1 21 21 DG H1 H 1 11.250 . . . . . . . A 21 DG H1 . 36168 1 222 . 1 1 21 21 DG H1' H 1 5.543 . . . . . . . A 21 DG H1' . 36168 1 223 . 1 1 21 21 DG H2' H 1 1.860 . . . . . . . A 21 DG H2' . 36168 1 224 . 1 1 21 21 DG H2'' H 1 2.120 . . . . . . . A 21 DG H2'' . 36168 1 225 . 1 1 21 21 DG H3' H 1 4.554 . . . . . . . A 21 DG H3' . 36168 1 226 . 1 1 21 21 DG H4' H 1 3.969 . . . . . . . A 21 DG H4' . 36168 1 227 . 1 1 21 21 DG H5' H 1 3.391 . . . . . . . A 21 DG H5' . 36168 1 228 . 1 1 21 21 DG H5'' H 1 3.181 . . . . . . . A 21 DG H5'' . 36168 1 229 . 1 1 21 21 DG H8 H 1 7.083 . . . . . . . A 21 DG H8 . 36168 1 230 . 1 1 21 21 DG H21 H 1 6.145 . . . . . . . A 21 DG H21 . 36168 1 231 . 1 1 21 21 DG H22 H 1 9.593 . . . . . . . A 21 DG H22 . 36168 1 232 . 1 1 21 21 DG C8 C 13 118.234 . . . . . . . A 21 DG C8 . 36168 1 233 . 1 1 21 21 DG P P 31 -0.757 . . . . . . . A 21 DG P . 36168 1 234 . 1 1 22 22 DG H1 H 1 11.358 . . . . . . . A 22 DG H1 . 36168 1 235 . 1 1 22 22 DG H1' H 1 5.866 . . . . . . . A 22 DG H1' . 36168 1 236 . 1 1 22 22 DG H2' H 1 2.740 . . . . . . . A 22 DG H2' . 36168 1 237 . 1 1 22 22 DG H2'' H 1 2.302 . . . . . . . A 22 DG H2'' . 36168 1 238 . 1 1 22 22 DG H3' H 1 4.595 . . . . . . . A 22 DG H3' . 36168 1 239 . 1 1 22 22 DG H4' H 1 4.045 . . . . . . . A 22 DG H4' . 36168 1 240 . 1 1 22 22 DG H5' H 1 3.674 . . . . . . . A 22 DG H5' . 36168 1 241 . 1 1 22 22 DG H5'' H 1 3.435 . . . . . . . A 22 DG H5'' . 36168 1 242 . 1 1 22 22 DG H8 H 1 7.343 . . . . . . . A 22 DG H8 . 36168 1 243 . 1 1 22 22 DG H21 H 1 6.057 . . . . . . . A 22 DG H21 . 36168 1 244 . 1 1 22 22 DG H22 H 1 9.898 . . . . . . . A 22 DG H22 . 36168 1 245 . 1 1 22 22 DG C8 C 13 117.065 . . . . . . . A 22 DG C8 . 36168 1 246 . 1 1 22 22 DG P P 31 -1.677 . . . . . . . A 22 DG P . 36168 1 247 . 1 1 23 23 DG H1 H 1 11.130 . . . . . . . A 23 DG H1 . 36168 1 248 . 1 1 23 23 DG H1' H 1 6.092 . . . . . . . A 23 DG H1' . 36168 1 249 . 1 1 23 23 DG H2' H 1 2.544 . . . . . . . A 23 DG H2' . 36168 1 250 . 1 1 23 23 DG H2'' H 1 2.404 . . . . . . . A 23 DG H2'' . 36168 1 251 . 1 1 23 23 DG H3' H 1 4.942 . . . . . . . A 23 DG H3' . 36168 1 252 . 1 1 23 23 DG H4' H 1 4.346 . . . . . . . A 23 DG H4' . 36168 1 253 . 1 1 23 23 DG H5' H 1 4.037 . . . . . . . A 23 DG H5' . 36168 1 254 . 1 1 23 23 DG H5'' H 1 4.037 . . . . . . . A 23 DG H5'' . 36168 1 255 . 1 1 23 23 DG H8 H 1 7.616 . . . . . . . A 23 DG H8 . 36168 1 256 . 1 1 23 23 DG H21 H 1 6.085 . . . . . . . A 23 DG H21 . 36168 1 257 . 1 1 23 23 DG H22 H 1 8.399 . . . . . . . A 23 DG H22 . 36168 1 258 . 1 1 23 23 DG C8 C 13 117.916 . . . . . . . A 23 DG C8 . 36168 1 259 . 1 1 23 23 DG P P 31 -0.896 . . . . . . . A 23 DG P . 36168 1 260 . 1 1 24 24 DT H1' H 1 5.919 . . . . . . . A 24 DT H1' . 36168 1 261 . 1 1 24 24 DT H2' H 1 2.372 . . . . . . . A 24 DT H2' . 36168 1 262 . 1 1 24 24 DT H2'' H 1 1.985 . . . . . . . A 24 DT H2'' . 36168 1 263 . 1 1 24 24 DT H3' H 1 5.544 . . . . . . . A 24 DT H3' . 36168 1 264 . 1 1 24 24 DT H4' H 1 4.374 . . . . . . . A 24 DT H4' . 36168 1 265 . 1 1 24 24 DT H5' H 1 3.694 . . . . . . . A 24 DT H5' . 36168 1 266 . 1 1 24 24 DT H5'' H 1 3.953 . . . . . . . A 24 DT H5'' . 36168 1 267 . 1 1 24 24 DT H6 H 1 7.192 . . . . . . . A 24 DT H6 . 36168 1 268 . 1 1 24 24 DT H71 H 1 1.319 . . . . . . . A 24 DT H71 . 36168 1 269 . 1 1 24 24 DT H72 H 1 1.319 . . . . . . . A 24 DT H72 . 36168 1 270 . 1 1 24 24 DT H73 H 1 1.319 . . . . . . . A 24 DT H73 . 36168 1 271 . 1 1 24 24 DT P P 31 -1.254 . . . . . . . A 24 DT P . 36168 1 stop_ save_