################################### # 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 17409 _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 . _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 DQF-COSY' . . . 17409 1 2 '2D 1H-1H NOESY' . . . 17409 1 4 '2D 1H-13C HMQC' . . . 17409 1 6 '2D 1H-1H NOESY' . . . 17409 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 6.00 . . 1 . . . A 1 DG H1' . 17409 1 2 . 1 1 1 1 DG H2' H 1 2.68 . . 1 . . . A 1 DG H2' . 17409 1 3 . 1 1 1 1 DG H2'' H 1 2.80 . . 1 . . . A 1 DG H2'' . 17409 1 4 . 1 1 1 1 DG H3' H 1 4.87 . . 1 . . . A 1 DG H3' . 17409 1 5 . 1 1 1 1 DG H4' H 1 4.29 . . 1 . . . A 1 DG H4' . 17409 1 6 . 1 1 1 1 DG H8 H 1 7.98 . . 1 . . . A 1 DG H8 . 17409 1 7 . 1 1 1 1 DG C1' C 13 82.3 . . 1 . . . A 1 DG C1' . 17409 1 8 . 1 1 1 1 DG C3' C 13 75.3 . . 1 . . . A 1 DG C3' . 17409 1 9 . 1 1 1 1 DG C8 C 13 136.4 . . 1 . . . A 1 DG C8 . 17409 1 10 . 1 1 2 2 DC H1' H 1 6.10 . . 1 . . . A 2 DC H1' . 17409 1 11 . 1 1 2 2 DC H2' H 1 2.15 . . 1 . . . A 2 DC H2' . 17409 1 12 . 1 1 2 2 DC H2'' H 1 2.55 . . 1 . . . A 2 DC H2'' . 17409 1 13 . 1 1 2 2 DC H3' H 1 4.87 . . 1 . . . A 2 DC H3' . 17409 1 14 . 1 1 2 2 DC H4' H 1 4.28 . . 1 . . . A 2 DC H4' . 17409 1 15 . 1 1 2 2 DC H5 H 1 5.37 . . 1 . . . A 2 DC H5 . 17409 1 16 . 1 1 2 2 DC H6 H 1 7.55 . . 1 . . . A 2 DC H6 . 17409 1 17 . 1 1 2 2 DC H41 H 1 8.39 . . 1 . . . A 2 DC H41 . 17409 1 18 . 1 1 2 2 DC H42 H 1 6.69 . . 1 . . . A 2 DC H42 . 17409 1 19 . 1 1 2 2 DC C1' C 13 84.1 . . 1 . . . A 2 DC C1' . 17409 1 20 . 1 1 2 2 DC C3' C 13 76.6 . . 1 . . . A 2 DC C3' . 17409 1 21 . 1 1 2 2 DC C5 C 13 95.7 . . 1 . . . A 2 DC C5 . 17409 1 22 . 1 1 2 2 DC C6 C 13 140.1 . . 1 . . . A 2 DC C6 . 17409 1 23 . 1 1 3 3 DT H1' H 1 5.77 . . 1 . . . A 3 DT H1' . 17409 1 24 . 1 1 3 3 DT H2' H 1 2.16 . . 1 . . . A 3 DT H2' . 17409 1 25 . 1 1 3 3 DT H2'' H 1 2.48 . . 1 . . . A 3 DT H2'' . 17409 1 26 . 1 1 3 3 DT H3 H 1 13.99 . . 1 . . . A 3 DT H3 . 17409 1 27 . 1 1 3 3 DT H3' H 1 4.91 . . 1 . . . A 3 DT H3' . 17409 1 28 . 1 1 3 3 DT H4' H 1 4.17 . . 1 . . . A 3 DT H4' . 17409 1 29 . 1 1 3 3 DT H71 H 1 1.67 . . 1 . . . A 3 THY H7 . 17409 1 30 . 1 1 3 3 DT H72 H 1 1.67 . . 1 . . . A 3 THY H7 . 17409 1 31 . 1 1 3 3 DT H73 H 1 1.67 . . 1 . . . A 3 THY H7 . 17409 1 32 . 1 1 3 3 DT H6 H 1 7.36 . . 1 . . . A 3 DT H6 . 17409 1 33 . 1 1 3 3 DT C1' C 13 82.9 . . 1 . . . A 3 DT C1' . 17409 1 34 . 1 1 3 3 DT C3' C 13 75.3 . . 1 . . . A 3 DT C3' . 17409 1 35 . 1 1 3 3 DT C6 C 13 136.6 . . 1 . . . A 3 DT C6 . 17409 1 36 . 1 1 4 4 DG H1 H 1 12.74 . . 1 . . . A 4 DG H1 . 17409 1 37 . 1 1 4 4 DG H1' H 1 5.86 . . 1 . . . A 4 DG H1' . 17409 1 38 . 1 1 4 4 DG H2' H 1 2.65 . . 1 . . . A 4 DG H2' . 17409 1 39 . 1 1 4 4 DG H2'' H 1 2.71 . . 1 . . . A 4 DG H2'' . 17409 1 40 . 1 1 4 4 DG H3' H 1 5.00 . . 1 . . . A 4 DG H3' . 17409 1 41 . 1 1 4 4 DG H4' H 1 4.38 . . 1 . . . A 4 DG H4' . 17409 1 42 . 1 1 4 4 DG H8 H 1 7.91 . . 1 . . . A 4 DG H8 . 17409 1 43 . 1 1 4 4 DG C1' C 13 81.4 . . 1 . . . A 4 DG C1' . 17409 1 44 . 1 1 4 4 DG C3' C 13 76.5 . . 1 . . . A 4 DG C3' . 17409 1 45 . 1 1 4 4 DG C8 C 13 135.5 . . 1 . . . A 4 DG C8 . 17409 1 46 . 1 1 5 5 DC H1' H 1 5.43 . . 1 . . . A 5 DC H1' . 17409 1 47 . 1 1 5 5 DC H2' H 1 1.89 . . 1 . . . A 5 DC H2' . 17409 1 48 . 1 1 5 5 DC H2'' H 1 2.26 . . 1 . . . A 5 DC H2'' . 17409 1 49 . 1 1 5 5 DC H3' H 1 4.80 . . 1 . . . A 5 DC H3' . 17409 1 50 . 1 1 5 5 DC H4' H 1 4.14 . . 1 . . . A 5 DC H4' . 17409 1 51 . 1 1 5 5 DC H5 H 1 5.41 . . 1 . . . A 5 DC H5 . 17409 1 52 . 1 1 5 5 DC H6 H 1 7.33 . . 1 . . . A 5 DC H6 . 17409 1 53 . 1 1 5 5 DC H41 H 1 8.34 . . 1 . . . A 5 DC H41 . 17409 1 54 . 1 1 5 5 DC H42 H 1 6.39 . . 1 . . . A 5 DC H42 . 17409 1 55 . 1 1 5 5 DC C1' C 13 83.3 . . 1 . . . A 5 DC C1' . 17409 1 56 . 1 1 5 5 DC C3' C 13 76.1 . . 1 . . . A 5 DC C3' . 17409 1 57 . 1 1 5 5 DC C5 C 13 95.5 . . 1 . . . A 5 DC C5 . 17409 1 58 . 1 1 5 5 DC C6 C 13 139.7 . . 1 . . . A 5 DC C6 . 17409 1 59 . 1 1 6 6 DA H1' H 1 5.88 . . 1 . . . A 6 DA H1' . 17409 1 60 . 1 1 6 6 DA H2 H 1 7.24 . . 1 . . . A 6 DA H2 . 17409 1 61 . 1 1 6 6 DA H2' H 1 2.71 . . 1 . . . A 6 DA H2' . 17409 1 62 . 1 1 6 6 DA H2'' H 1 2.88 . . 1 . . . A 6 DA H2'' . 17409 1 63 . 1 1 6 6 DA H3' H 1 5.04 . . 1 . . . A 6 DA H3' . 17409 1 64 . 1 1 6 6 DA H4' H 1 4.38 . . 1 . . . A 6 DA H4' . 17409 1 65 . 1 1 6 6 DA H8 H 1 8.16 . . 1 . . . A 6 DA H8 . 17409 1 66 . 1 1 6 6 DA C1' C 13 81.7 . . 1 . . . A 6 DA C1' . 17409 1 67 . 1 1 6 6 DA C2 C 13 151.3 . . 1 . . . A 6 DA C2 . 17409 1 68 . 1 1 6 6 DA C3' C 13 76.9 . . 1 . . . A 6 DA C3' . 17409 1 69 . 1 1 6 6 DA C8 C 13 138.8 . . 1 . . . A 6 DA C8 . 17409 1 70 . 1 1 7 7 DA H1' H 1 5.80 . . 1 . . . A 7 DA H1' . 17409 1 71 . 1 1 7 7 DA H2 H 1 7.08 . . 1 . . . A 7 DA H2 . 17409 1 72 . 1 1 7 7 DA H2' H 1 2.59 . . 1 . . . A 7 DA H2' . 17409 1 73 . 1 1 7 7 DA H2'' H 1 2.81 . . 1 . . . A 7 DA H2'' . 17409 1 74 . 1 1 7 7 DA H3' H 1 5.04 . . 1 . . . A 7 DA H3' . 17409 1 75 . 1 1 7 7 DA H4' H 1 4.42 . . 1 . . . A 7 DA H4' . 17409 1 76 . 1 1 7 7 DA H8 H 1 8.03 . . 1 . . . A 7 DA H8 . 17409 1 77 . 1 1 7 7 DA C1' C 13 81.5 . . 1 . . . A 7 DA C1' . 17409 1 78 . 1 1 7 7 DA C2 C 13 151.0 . . 1 . . . A 7 DA C2 . 17409 1 79 . 1 1 7 7 DA C3' C 13 76.1 . . 1 . . . A 7 DA C3' . 17409 1 80 . 1 1 7 7 DA C8 C 13 138.1 . . 1 . . . A 7 DA C8 . 17409 1 81 . 1 1 8 8 DA H1' H 1 6.05 . . 1 . . . A 8 DA H1' . 17409 1 82 . 1 1 8 8 DA H2 H 1 7.51 . . 1 . . . A 8 DA H2 . 17409 1 83 . 1 1 8 8 DA H2' H 1 2.53 . . 1 . . . A 8 DA H2' . 17409 1 84 . 1 1 8 8 DA H2'' H 1 2.82 . . 1 . . . A 8 DA H2'' . 17409 1 85 . 1 1 8 8 DA H3' H 1 4.99 . . 1 . . . A 8 DA H3' . 17409 1 86 . 1 1 8 8 DA H4' H 1 4.43 . . 1 . . . A 8 DA H4' . 17409 1 87 . 1 1 8 8 DA H8 H 1 8.02 . . 1 . . . A 8 DA H8 . 17409 1 88 . 1 1 8 8 DA C1' C 13 81.9 . . 1 . . . A 8 DA C1' . 17409 1 89 . 1 1 8 8 DA C2 C 13 151.9 . . 1 . . . A 8 DA C2 . 17409 1 90 . 1 1 8 8 DA C3' C 13 76.6 . . 1 . . . A 8 DA C3' . 17409 1 91 . 1 1 8 8 DA C8 C 13 138.0 . . 1 . . . A 8 DA C8 . 17409 1 92 . 1 1 9 9 DC H1' H 1 5.52 . . 1 . . . A 9 DC H1' . 17409 1 93 . 1 1 9 9 DC H2' H 1 1.89 . . 1 . . . A 9 DC H2' . 17409 1 94 . 1 1 9 9 DC H2'' H 1 2.30 . . 1 . . . A 9 DC H2'' . 17409 1 95 . 1 1 9 9 DC H3' H 1 4.78 . . 1 . . . A 9 DC H3' . 17409 1 96 . 1 1 9 9 DC H4' H 1 4.11 . . 1 . . . A 9 DC H4' . 17409 1 97 . 1 1 9 9 DC H5 H 1 5.11 . . 1 . . . A 9 DC H5 . 17409 1 98 . 1 1 9 9 DC H6 H 1 7.08 . . 1 . . . A 9 DC H6 . 17409 1 99 . 1 1 9 9 DC H41 H 1 7.97 . . 1 . . . A 9 DC H41 . 17409 1 100 . 1 1 9 9 DC H42 H 1 6.36 . . 1 . . . A 9 DC H42 . 17409 1 101 . 1 1 9 9 DC C1' C 13 83.1 . . 1 . . . A 9 DC C1' . 17409 1 102 . 1 1 9 9 DC C3' C 13 74.0 . . 1 . . . A 9 DC C3' . 17409 1 103 . 1 1 9 9 DC C5 C 13 95.2 . . 1 . . . A 9 DC C5 . 17409 1 104 . 1 1 9 9 DC C6 C 13 139.0 . . 1 . . . A 9 DC C6 . 17409 1 105 . 1 1 10 10 DG H1 H 1 12.71 . . 1 . . . A 10 DG H1 . 17409 1 106 . 1 1 10 10 DG H1' H 1 5.94 . . 1 . . . A 10 DG H1' . 17409 1 107 . 1 1 10 10 DG H2' H 1 2.62 . . 1 . . . A 10 DG H2' . 17409 1 108 . 1 1 10 10 DG H2'' H 1 2.78 . . 1 . . . A 10 DG H2'' . 17409 1 109 . 1 1 10 10 DG H3' H 1 4.96 . . 1 . . . A 10 DG H3' . 17409 1 110 . 1 1 10 10 DG H4' H 1 4.36 . . 1 . . . A 10 DG H4' . 17409 1 111 . 1 1 10 10 DG H8 H 1 7.82 . . 1 . . . A 10 DG H8 . 17409 1 112 . 1 1 10 10 DG C1' C 13 82.0 . . 1 . . . A 10 DG C1' . 17409 1 113 . 1 1 10 10 DG C3' C 13 76.9 . . 1 . . . A 10 DG C3' . 17409 1 114 . 1 1 10 10 DG C8 C 13 135.5 . . 1 . . . A 10 DG C8 . 17409 1 115 . 1 1 11 11 DT H1' H 1 6.05 . . 1 . . . A 11 DT H1' . 17409 1 116 . 1 1 11 11 DT H2' H 1 2.09 . . 1 . . . A 11 DT H2' . 17409 1 117 . 1 1 11 11 DT H2'' H 1 2.47 . . 1 . . . A 11 DT H2'' . 17409 1 118 . 1 1 11 11 DT H3 H 1 13.76 . . 1 . . . A 11 DT H3 . 17409 1 119 . 1 1 11 11 DT H3' H 1 4.88 . . 1 . . . A 11 DT H3' . 17409 1 120 . 1 1 11 11 DT H4' H 1 4.23 . . 1 . . . A 11 DT H4' . 17409 1 121 . 1 1 11 11 DT H71 H 1 1.40 . . 1 . . . A 11 THY H7 . 17409 1 122 . 1 1 11 11 DT H72 H 1 1.40 . . 1 . . . A 11 THY H7 . 17409 1 123 . 1 1 11 11 DT H73 H 1 1.40 . . 1 . . . A 11 THY H7 . 17409 1 124 . 1 1 11 11 DT H6 H 1 7.26 . . 1 . . . A 11 DT H6 . 17409 1 125 . 1 1 11 11 DT C1' C 13 82.7 . . 1 . . . A 11 DT C1' . 17409 1 126 . 1 1 11 11 DT C3' C 13 75.1 . . 1 . . . A 11 DT C3' . 17409 1 127 . 1 1 11 11 DT C6 C 13 135.8 . . 1 . . . A 11 DT C6 . 17409 1 128 . 1 1 12 12 DC H1' H 1 5.72 . . 1 . . . A 12 DC H1' . 17409 1 129 . 1 1 12 12 DC H2' H 1 2.04 . . 1 . . . A 12 DC H2' . 17409 1 130 . 1 1 12 12 DC H2'' H 1 2.39 . . 1 . . . A 12 DC H2'' . 17409 1 131 . 1 1 12 12 DC H3' H 1 4.87 . . 1 . . . A 12 DC H3' . 17409 1 132 . 1 1 12 12 DC H4' H 1 4.15 . . 1 . . . A 12 DC H4' . 17409 1 133 . 1 1 12 12 DC H5 H 1 5.72 . . 1 . . . A 12 DC H5 . 17409 1 134 . 1 1 12 12 DC H6 H 1 7.51 . . 1 . . . A 12 DC H6 . 17409 1 135 . 1 1 12 12 DC H41 H 1 8.66 . . 1 . . . A 12 DC H41 . 17409 1 136 . 1 1 12 12 DC H42 H 1 7.06 . . 1 . . . A 12 DC H42 . 17409 1 137 . 1 1 12 12 DC C1' C 13 83.8 . . 1 . . . A 12 DC C1' . 17409 1 138 . 1 1 12 12 DC C3' C 13 76.5 . . 1 . . . A 12 DC C3' . 17409 1 139 . 1 1 12 12 DC C5 C 13 96.1 . . 1 . . . A 12 DC C5 . 17409 1 140 . 1 1 12 12 DC C6 C 13 141.0 . . 1 . . . A 12 DC C6 . 17409 1 141 . 1 1 13 13 DG H1' H 1 6.18 . . 1 . . . A 13 DG H1' . 17409 1 142 . 1 1 13 13 DG H2' H 1 2.66 . . 1 . . . A 13 DG H2' . 17409 1 143 . 1 1 13 13 DG H2'' H 1 2.42 . . 1 . . . A 13 DG H2'' . 17409 1 144 . 1 1 13 13 DG H3' H 1 4.71 . . 1 . . . A 13 DG H3' . 17409 1 145 . 1 1 13 13 DG H4' H 1 4.21 . . 1 . . . A 13 DG H4' . 17409 1 146 . 1 1 13 13 DG H8 H 1 7.96 . . 1 . . . A 13 DG H8 . 17409 1 147 . 1 1 13 13 DG C1' C 13 82.2 . . 1 . . . A 13 DG C1' . 17409 1 148 . 1 1 13 13 DG C3' C 13 70.6 . . 1 . . . A 13 DG C3' . 17409 1 149 . 1 1 13 13 DG C8 C 13 135.5 . . 1 . . . A 13 DG C8 . 17409 1 150 . 2 2 1 1 DC H1' H 1 5.72 . . 1 . . . B 14 DC H1' . 17409 1 151 . 2 2 1 1 DC H2' H 1 1.85 . . 1 . . . B 14 DC H2' . 17409 1 152 . 2 2 1 1 DC H2'' H 1 2.36 . . 1 . . . B 14 DC H2'' . 17409 1 153 . 2 2 1 1 DC H3' H 1 4.70 . . 1 . . . B 14 DC H3' . 17409 1 154 . 2 2 1 1 DC H4' H 1 4.08 . . 1 . . . B 14 DC H4' . 17409 1 155 . 2 2 1 1 DC H5 H 1 5.88 . . 1 . . . B 14 DC H5 . 17409 1 156 . 2 2 1 1 DC H6 H 1 7.60 . . 1 . . . B 14 DC H6 . 17409 1 157 . 2 2 1 1 DC H41 H 1 8.19 . . 1 . . . B 14 DC H41 . 17409 1 158 . 2 2 1 1 DC H42 H 1 7.06 . . 1 . . . B 14 DC H42 . 17409 1 159 . 2 2 1 1 DC C1' C 13 85.1 . . 1 . . . B 14 DC C1' . 17409 1 160 . 2 2 1 1 DC C3' C 13 75.1 . . 1 . . . B 14 DC C3' . 17409 1 161 . 2 2 1 1 DC C5 C 13 96.6 . . 1 . . . B 14 DC C5 . 17409 1 162 . 2 2 1 1 DC C6 C 13 140.3 . . 1 . . . B 14 DC C6 . 17409 1 163 . 2 2 2 2 DG H1 H 1 12.98 . . 1 . . . B 15 DG H1 . 17409 1 164 . 2 2 2 2 DG H1' H 1 5.45 . . 1 . . . B 15 DG H1' . 17409 1 165 . 2 2 2 2 DG H2' H 1 2.74 . . 1 . . . B 15 DG H2' . 17409 1 166 . 2 2 2 2 DG H2'' H 1 2.81 . . 1 . . . B 15 DG H2'' . 17409 1 167 . 2 2 2 2 DG H3' H 1 5.02 . . 1 . . . B 15 DG H3' . 17409 1 168 . 2 2 2 2 DG H4' H 1 4.33 . . 1 . . . B 15 DG H4' . 17409 1 169 . 2 2 2 2 DG H8 H 1 7.97 . . 1 . . . B 15 DG H8 . 17409 1 170 . 2 2 2 2 DG C1' C 13 81.3 . . 1 . . . B 15 DG C1' . 17409 1 171 . 2 2 2 2 DG C3' C 13 76.7 . . 1 . . . B 15 DG C3' . 17409 1 172 . 2 2 2 2 DG C8 C 13 136.4 . . 1 . . . B 15 DG C8 . 17409 1 173 . 2 2 3 3 DA H1' H 1 6.28 . . 1 . . . B 16 DA H1' . 17409 1 174 . 2 2 3 3 DA H2 H 1 7.94 . . 1 . . . B 16 DA H2 . 17409 1 175 . 2 2 3 3 DA H2' H 1 2.72 . . 1 . . . B 16 DA H2' . 17409 1 176 . 2 2 3 3 DA H2'' H 1 2.93 . . 1 . . . B 16 DA H2'' . 17409 1 177 . 2 2 3 3 DA H3' H 1 5.09 . . 1 . . . B 16 DA H3' . 17409 1 178 . 2 2 3 3 DA H4' H 1 4.50 . . 1 . . . B 16 DA H4' . 17409 1 179 . 2 2 3 3 DA H8 H 1 8.24 . . 1 . . . B 16 DA H8 . 17409 1 180 . 2 2 3 3 DA C1' C 13 82.1 . . 1 . . . B 16 DA C1' . 17409 1 181 . 2 2 3 3 DA C2 C 13 152.6 . . 1 . . . B 16 DA C2 . 17409 1 182 . 2 2 3 3 DA C3' C 13 76.9 . . 1 . . . B 16 DA C3' . 17409 1 183 . 2 2 3 3 DA C8 C 13 138.3 . . 1 . . . B 16 DA C8 . 17409 1 184 . 2 2 4 4 DC H1' H 1 5.56 . . 1 . . . B 17 DC H1' . 17409 1 185 . 2 2 4 4 DC H2' H 1 2.02 . . 1 . . . B 17 DC H2' . 17409 1 186 . 2 2 4 4 DC H2'' H 1 2.37 . . 1 . . . B 17 DC H2'' . 17409 1 187 . 2 2 4 4 DC H3' H 1 4.84 . . 1 . . . B 17 DC H3' . 17409 1 188 . 2 2 4 4 DC H4' H 1 4.19 . . 1 . . . B 17 DC H4' . 17409 1 189 . 2 2 4 4 DC H5 H 1 5.25 . . 1 . . . B 17 DC H5 . 17409 1 190 . 2 2 4 4 DC H6 H 1 7.24 . . 1 . . . B 17 DC H6 . 17409 1 191 . 2 2 4 4 DC H41 H 1 8.11 . . 1 . . . B 17 DC H41 . 17409 1 192 . 2 2 4 4 DC H42 H 1 6.47 . . 1 . . . B 17 DC H42 . 17409 1 193 . 2 2 4 4 DC C1' C 13 83.2 . . 1 . . . B 17 DC C1' . 17409 1 194 . 2 2 4 4 DC C3' C 13 74.0 . . 1 . . . B 17 DC C3' . 17409 1 195 . 2 2 4 4 DC C5 C 13 95.4 . . 1 . . . B 17 DC C5 . 17409 1 196 . 2 2 4 4 DC C6 C 13 139.3 . . 1 . . . B 17 DC C6 . 17409 1 197 . 2 2 5 5 DG H1 H 1 12.71 . . 1 . . . B 18 DG H1 . 17409 1 198 . 2 2 5 5 DG H1' H 1 6.04 . . 1 . . . B 18 DG H1' . 17409 1 199 . 2 2 5 5 DG H2' H 1 2.64 . . 1 . . . B 18 DG H2' . 17409 1 200 . 2 2 5 5 DG H2'' H 1 2.87 . . 1 . . . B 18 DG H2'' . 17409 1 201 . 2 2 5 5 DG H3' H 1 5.01 . . 1 . . . B 18 DG H3' . 17409 1 202 . 2 2 5 5 DG H4' H 1 4.42 . . 1 . . . B 18 DG H4' . 17409 1 203 . 2 2 5 5 DG H8 H 1 7.87 . . 1 . . . B 18 DG H8 . 17409 1 204 . 2 2 5 5 DG C1' C 13 82.1 . . 1 . . . B 18 DG C1' . 17409 1 205 . 2 2 5 5 DG C3' C 13 75.2 . . 1 . . . B 18 DG C3' . 17409 1 206 . 2 2 5 5 DG C8 C 13 135.7 . . 1 . . . B 18 DG C8 . 17409 1 207 . 2 2 6 6 DT C1' C 13 82.8 . . 1 . . . B 19 2L8 C1'1 . 17409 1 208 . 2 2 6 6 DT C3' C 13 78.6 . . 1 . . . B 19 2L8 C3'1 . 17409 1 209 . 2 2 6 6 DT H71 H 1 1.37 . . 1 . . . B 19 THY H7 . 17409 1 210 . 2 2 6 6 DT H72 H 1 1.37 . . 1 . . . B 19 THY H7 . 17409 1 211 . 2 2 6 6 DT H73 H 1 1.37 . . 1 . . . B 19 THY H7 . 17409 1 212 . 2 2 6 6 DT C6 C 13 135.9 . . 1 . . . B 19 2L8 C61 . 17409 1 213 . 2 2 6 6 DT H1' H 1 5.85 . . 1 . . . B 19 2L8 H11' . 17409 1 214 . 2 2 6 6 DT H2' H 1 1.71 . . 1 . . . B 19 2L8 HC2' . 17409 1 215 . 2 2 6 6 DT H2'' H 1 1.55 . . 1 . . . B 19 2L8 H12' . 17409 1 216 . 2 2 6 6 DT H3' H 1 4.54 . . 1 . . . B 19 2L8 H13' . 17409 1 217 . 2 2 6 6 DT H4' H 1 4.07 . . 1 . . . B 19 2L8 H14' . 17409 1 218 . 2 2 6 6 DT H6 H 1 7.24 . . 1 . . . B 19 2L8 H1C6 . 17409 1 219 . 2 2 6 6 DT H3 H 1 13.73 . . 1 . . . B 19 2L8 H1N3 . 17409 1 220 . 2 2 7 7 TAL C1' C 13 86.1 . . 1 . . . B 19 2L8 C1'1 . 17409 1 221 . 2 2 7 7 TAL C1A C 13 63.4 . . 1 . . . B 19 2L8 C1A . 17409 1 222 . 2 2 7 7 TAL C3' C 13 74.8 . . 1 . . . B 19 2L8 C3'1 . 17409 1 223 . 2 2 7 7 TAL C3A C 13 124.4 . . 1 . . . B 19 2L8 C3A . 17409 1 224 . 2 2 7 7 TAL C6 C 13 134.9 . . 1 . . . B 19 2L8 C61 . 17409 1 225 . 2 2 7 7 TAL C7A C 13 51.8 . . 1 . . . B 19 2L8 C7A . 17409 1 226 . 2 2 7 7 TAL H1' H 1 5.76 . . 1 . . . B 19 2L8 H11' . 17409 1 227 . 2 2 7 7 TAL H7 H 1 1.63 . . 1 . . . B 20 TAL H7 . 17409 1 228 . 2 2 7 7 TAL H2'' H 1 2.77 . . 1 . . . B 19 2L8 H12' . 17409 1 229 . 2 2 7 7 TAL H3' H 1 4.79 . . 1 . . . B 19 2L8 H13' . 17409 1 230 . 2 2 7 7 TAL H4' H 1 4.17 . . 1 . . . B 19 2L8 H14' . 17409 1 231 . 2 2 7 7 TAL H1A H 1 4.75 . . 1 . . . B 19 2L8 H1A . 17409 1 232 . 2 2 7 7 TAL H1B H 1 5.12 . . 1 . . . B 19 2L8 H1AA . 17409 1 233 . 2 2 7 7 TAL H6 H 1 7.00 . . 1 . . . B 19 2L8 H1C6 . 17409 1 234 . 2 2 7 7 TAL H7A H 1 4.68 . . 1 . . . B 19 2L8 H1C7 . 17409 1 235 . 2 2 7 7 TAL H7B H 1 5.00 . . 1 . . . B 19 2L8 H1CA . 17409 1 236 . 2 2 7 7 TAL H3 H 1 13.95 . . 1 . . . B 19 2L8 H1N3 . 17409 1 237 . 2 2 7 7 TAL H3A H 1 8.32 . . 1 . . . B 19 2L8 H3A . 17409 1 238 . 2 2 7 7 TAL H2' H 1 1.94 . . 1 . . . B 19 2L8 HC2' . 17409 1 239 . 2 2 8 8 DT H1' H 1 5.86 . . 1 . . . B 20 DT H1' . 17409 1 240 . 2 2 8 8 DT H2' H 1 2.19 . . 1 . . . B 20 DT H2' . 17409 1 241 . 2 2 8 8 DT H2'' H 1 2.55 . . 1 . . . B 20 DT H2'' . 17409 1 242 . 2 2 8 8 DT H3 H 1 13.81 . . 1 . . . B 20 DT H3 . 17409 1 243 . 2 2 8 8 DT H3' H 1 4.93 . . 1 . . . B 20 DT H3' . 17409 1 244 . 2 2 8 8 DT H4' H 1 4.23 . . 1 . . . B 20 DT H4' . 17409 1 245 . 2 2 8 8 DT H71 H 1 1.75 . . 1 . . . B 21 THY H7 . 17409 1 246 . 2 2 8 8 DT H72 H 1 1.75 . . 1 . . . B 21 THY H7 . 17409 1 247 . 2 2 8 8 DT H73 H 1 1.75 . . 1 . . . B 21 THY H7 . 17409 1 248 . 2 2 8 8 DT H6 H 1 7.49 . . 1 . . . B 20 DT H6 . 17409 1 249 . 2 2 8 8 DT C1' C 13 82.9 . . 1 . . . B 20 DT C1' . 17409 1 250 . 2 2 8 8 DT C3' C 13 74.7 . . 1 . . . B 20 DT C3' . 17409 1 251 . 2 2 8 8 DT C6 C 13 137.0 . . 1 . . . B 20 DT C6 . 17409 1 252 . 2 2 9 9 DG H1 H 1 12.61 . . 1 . . . B 21 DG H1 . 17409 1 253 . 2 2 9 9 DG H1' H 1 5.82 . . 1 . . . B 21 DG H1' . 17409 1 254 . 2 2 9 9 DG H2' H 1 2.63 . . 1 . . . B 21 DG H2' . 17409 1 255 . 2 2 9 9 DG H2'' H 1 2.69 . . 1 . . . B 21 DG H2'' . 17409 1 256 . 2 2 9 9 DG H3' H 1 5.01 . . 1 . . . B 21 DG H3' . 17409 1 257 . 2 2 9 9 DG H4' H 1 4.37 . . 1 . . . B 21 DG H4' . 17409 1 258 . 2 2 9 9 DG H8 H 1 7.90 . . 1 . . . B 21 DG H8 . 17409 1 259 . 2 2 9 9 DG C1' C 13 81.3 . . 1 . . . B 21 DG C1' . 17409 1 260 . 2 2 9 9 DG C3' C 13 76.6 . . 1 . . . B 21 DG C3' . 17409 1 261 . 2 2 9 9 DG C8 C 13 135.5 . . 1 . . . B 21 DG C8 . 17409 1 262 . 2 2 10 10 DC H1' H 1 5.49 . . 1 . . . B 22 DC H1' . 17409 1 263 . 2 2 10 10 DC H2' H 1 1.99 . . 1 . . . B 22 DC H2' . 17409 1 264 . 2 2 10 10 DC H2'' H 1 2.33 . . 1 . . . B 22 DC H2'' . 17409 1 265 . 2 2 10 10 DC H3' H 1 4.84 . . 1 . . . B 22 DC H3' . 17409 1 266 . 2 2 10 10 DC H4' H 1 4.17 . . 1 . . . B 22 DC H4' . 17409 1 267 . 2 2 10 10 DC H5 H 1 5.39 . . 1 . . . B 22 DC H5 . 17409 1 268 . 2 2 10 10 DC H6 H 1 7.38 . . 1 . . . B 22 DC H6 . 17409 1 269 . 2 2 10 10 DC H41 H 1 8.36 . . 1 . . . B 22 DC H41 . 17409 1 270 . 2 2 10 10 DC H42 H 1 6.38 . . 1 . . . B 22 DC H42 . 17409 1 271 . 2 2 10 10 DC C1' C 13 83.5 . . 1 . . . B 22 DC C1' . 17409 1 272 . 2 2 10 10 DC C3' C 13 75.3 . . 1 . . . B 22 DC C3' . 17409 1 273 . 2 2 10 10 DC C5 C 13 95.5 . . 1 . . . B 22 DC C5 . 17409 1 274 . 2 2 10 10 DC C6 C 13 139.9 . . 1 . . . B 22 DC C6 . 17409 1 275 . 2 2 11 11 DA H1' H 1 6.01 . . 1 . . . B 23 DA H1' . 17409 1 276 . 2 2 11 11 DA H2 H 1 7.69 . . 1 . . . B 23 DA H2 . 17409 1 277 . 2 2 11 11 DA H2' H 1 2.74 . . 1 . . . B 23 DA H2' . 17409 1 278 . 2 2 11 11 DA H2'' H 1 2.90 . . 1 . . . B 23 DA H2'' . 17409 1 279 . 2 2 11 11 DA H3' H 1 5.05 . . 1 . . . B 23 DA H3' . 17409 1 280 . 2 2 11 11 DA H4' H 1 4.39 . . 1 . . . B 23 DA H4' . 17409 1 281 . 2 2 11 11 DA H8 H 1 8.19 . . 1 . . . B 23 DA H8 . 17409 1 282 . 2 2 11 11 DA C1' C 13 82.1 . . 1 . . . B 23 DA C1' . 17409 1 283 . 2 2 11 11 DA C2 C 13 151.5 . . 1 . . . B 23 DA C2 . 17409 1 284 . 2 2 11 11 DA C3' C 13 77.0 . . 1 . . . B 23 DA C3' . 17409 1 285 . 2 2 11 11 DA C8 C 13 138.8 . . 1 . . . B 23 DA C8 . 17409 1 286 . 2 2 12 12 DG H1 H 1 12.98 . . 1 . . . B 24 DG H1 . 17409 1 287 . 2 2 12 12 DG H1' H 1 5.82 . . 1 . . . B 24 DG H1' . 17409 1 288 . 2 2 12 12 DG H2' H 1 2.48 . . 1 . . . B 24 DG H2' . 17409 1 289 . 2 2 12 12 DG H2'' H 1 2.66 . . 1 . . . B 24 DG H2'' . 17409 1 290 . 2 2 12 12 DG H3' H 1 4.97 . . 1 . . . B 24 DG H3' . 17409 1 291 . 2 2 12 12 DG H4' H 1 4.38 . . 1 . . . B 24 DG H4' . 17409 1 292 . 2 2 12 12 DG H8 H 1 7.68 . . 1 . . . B 24 DG H8 . 17409 1 293 . 2 2 12 12 DG C1' C 13 81.2 . . 1 . . . B 24 DG C1' . 17409 1 294 . 2 2 12 12 DG C3' C 13 75.0 . . 1 . . . B 24 DG C3' . 17409 1 295 . 2 2 12 12 DG C8 C 13 134.5 . . 1 . . . B 24 DG C8 . 17409 1 296 . 2 2 13 13 DC H1' H 1 6.11 . . 1 . . . B 25 DC H1' . 17409 1 297 . 2 2 13 13 DC H2' H 1 2.16 . . 1 . . . B 25 DC H2' . 17409 1 298 . 2 2 13 13 DC H2'' H 1 2.23 . . 1 . . . B 25 DC H2'' . 17409 1 299 . 2 2 13 13 DC H3' H 1 4.47 . . 1 . . . B 25 DC H3' . 17409 1 300 . 2 2 13 13 DC H4' H 1 4.05 . . 1 . . . B 25 DC H4' . 17409 1 301 . 2 2 13 13 DC H5 H 1 5.23 . . 1 . . . B 25 DC H5 . 17409 1 302 . 2 2 13 13 DC H6 H 1 7.33 . . 1 . . . B 25 DC H6 . 17409 1 303 . 2 2 13 13 DC C1' C 13 84.0 . . 1 . . . B 25 DC C1' . 17409 1 304 . 2 2 13 13 DC C3' C 13 68.8 . . 1 . . . B 25 DC C3' . 17409 1 305 . 2 2 13 13 DC C5 C 13 95.0 . . 1 . . . B 25 DC C5 . 17409 1 306 . 2 2 13 13 DC C6 C 13 140.2 . . 1 . . . B 25 DC C6 . 17409 1 stop_ save_