################################### # 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 34244 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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' 2 $sample_2 isotropic 34244 1 2 '2D 1H-1H COSY' 2 $sample_2 isotropic 34244 1 3 '2D 1H-1H TOCSY' 2 $sample_2 isotropic 34244 1 4 '2D 1H-1H NOESY' 1 $sample_1 isotropic 34244 1 5 '2D 1H-1H NOESY' 2 $sample_2 isotropic 34244 1 6 '2D 1H-13C HSQC aliphatic' 2 $sample_2 isotropic 34244 1 7 '2D 1H-13C HSQC aromatic' 2 $sample_2 isotropic 34244 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 DC H1' H 1 5.816 0.001 . . . . . . A 1 DC H1' . 34244 1 2 . 1 1 1 1 DC H2' H 1 2.064 0.001 . . . . . . A 1 DC H2' . 34244 1 3 . 1 1 1 1 DC H2'' H 1 2.473 0.001 . . . . . . A 1 DC H2'' . 34244 1 4 . 1 1 1 1 DC H3' H 1 4.723 0.002 . . . . . . A 1 DC H3' . 34244 1 5 . 1 1 1 1 DC H4' H 1 4.096 0.001 . . . . . . A 1 DC H4' . 34244 1 6 . 1 1 1 1 DC H5 H 1 5.935 0.001 . . . . . . A 1 DC H5 . 34244 1 7 . 1 1 1 1 DC H5' H 1 3.747 0.001 . . . . . . A 1 DC H5' . 34244 1 8 . 1 1 1 1 DC H6 H 1 7.679 0.001 . . . . . . A 1 DC H6 . 34244 1 9 . 1 1 1 1 DC H41 H 1 7.118 0.003 . . . . . . A 1 DC H41 . 34244 1 10 . 1 1 1 1 DC H42 H 1 8.156 0.003 . . . . . . A 1 DC H42 . 34244 1 11 . 1 1 2 2 DG H1 H 1 12.946 0.003 . . . . . . A 2 DG H1 . 34244 1 12 . 1 1 2 2 DG H1' H 1 6.059 0.002 . . . . . . A 2 DG H1' . 34244 1 13 . 1 1 2 2 DG H2' H 1 2.704 0.002 . . . . . . A 2 DG H2' . 34244 1 14 . 1 1 2 2 DG H2'' H 1 2.841 0.002 . . . . . . A 2 DG H2'' . 34244 1 15 . 1 1 2 2 DG H3' H 1 4.994 0.001 . . . . . . A 2 DG H3' . 34244 1 16 . 1 1 2 2 DG H4' H 1 4.399 0.001 . . . . . . A 2 DG H4' . 34244 1 17 . 1 1 2 2 DG H5' H 1 4.052 0.002 . . . . . . A 2 DG H5' . 34244 1 18 . 1 1 2 2 DG H5'' H 1 4.132 0.001 . . . . . . A 2 DG H5'' . 34244 1 19 . 1 1 2 2 DG H8 H 1 8.000 0.001 . . . . . . A 2 DG H8 . 34244 1 20 . 1 1 3 3 DT H1' H 1 6.006 0.002 . . . . . . A 3 DT H1' . 34244 1 21 . 1 1 3 3 DT H2' H 1 2.230 0.002 . . . . . . A 3 DT H2' . 34244 1 22 . 1 1 3 3 DT H2'' H 1 2.519 0.002 . . . . . . A 3 DT H2'' . 34244 1 23 . 1 1 3 3 DT H3 H 1 13.748 0.003 . . . . . . A 3 DT H3 . 34244 1 24 . 1 1 3 3 DT H3' H 1 4.874 0.001 . . . . . . A 3 DT H3' . 34244 1 25 . 1 1 3 3 DT H4' H 1 4.261 0.002 . . . . . . A 3 DT H4' . 34244 1 26 . 1 1 3 3 DT H5' H 1 4.405 0.001 . . . . . . A 3 DT H5' . 34244 1 27 . 1 1 3 3 DT H6 H 1 7.292 0.001 . . . . . . A 3 DT H6 . 34244 1 28 . 1 1 3 3 DT H71 H 1 1.477 0.002 . . . . . . A 3 DT H71 . 34244 1 29 . 1 1 3 3 DT H72 H 1 1.477 0.002 . . . . . . A 3 DT H72 . 34244 1 30 . 1 1 3 3 DT H73 H 1 1.477 0.002 . . . . . . A 3 DT H73 . 34244 1 31 . 1 1 4 4 DC H1' H 1 6.016 0.001 . . . . . . A 4 DC H1' . 34244 1 32 . 1 1 4 4 DC H2' H 1 1.833 0.002 . . . . . . A 4 DC H2' . 34244 1 33 . 1 1 4 4 DC H2'' H 1 2.425 0.002 . . . . . . A 4 DC H2'' . 34244 1 34 . 1 1 4 4 DC H3' H 1 4.700 0.002 . . . . . . A 4 DC H3' . 34244 1 35 . 1 1 4 4 DC H4' H 1 4.139 0.002 . . . . . . A 4 DC H4' . 34244 1 36 . 1 1 4 4 DC H5 H 1 5.555 0.001 . . . . . . A 4 DC H5 . 34244 1 37 . 1 1 4 4 DC H5' H 1 4.333 0.001 . . . . . . A 4 DC H5' . 34244 1 38 . 1 1 4 4 DC H5'' H 1 4.241 0.002 . . . . . . A 4 DC H5'' . 34244 1 39 . 1 1 4 4 DC H6 H 1 7.525 0.001 . . . . . . A 4 DC H6 . 34244 1 40 . 1 1 4 4 DC H41 H 1 6.999 0.002 . . . . . . A 4 DC H41 . 34244 1 41 . 1 1 4 4 DC H42 H 1 7.659 0.003 . . . . . . A 4 DC H42 . 34244 1 42 . 1 1 5 5 DT H1' H 1 6.170 0.002 . . . . . . A 5 DT H1' . 34244 1 43 . 1 1 5 5 DT H2' H 1 2.499 0.003 . . . . . . A 5 DT H2' . 34244 1 44 . 1 1 5 5 DT H2'' H 1 2.574 0.003 . . . . . . A 5 DT H2'' . 34244 1 45 . 1 1 5 5 DT H3 H 1 13.472 0.003 . . . . . . A 5 DT H3 . 34244 1 46 . 1 1 5 5 DT H3' H 1 4.945 0.002 . . . . . . A 5 DT H3' . 34244 1 47 . 1 1 5 5 DT H4' H 1 4.339 0.001 . . . . . . A 5 DT H4' . 34244 1 48 . 1 1 5 5 DT H5' H 1 4.117 0.003 . . . . . . A 5 DT H5' . 34244 1 49 . 1 1 5 5 DT H5'' H 1 4.069 0.002 . . . . . . A 5 DT H5'' . 34244 1 50 . 1 1 5 5 DT H6 H 1 7.591 0.002 . . . . . . A 5 DT H6 . 34244 1 51 . 1 1 5 5 DT H71 H 1 1.749 0.001 . . . . . . A 5 DT H71 . 34244 1 52 . 1 1 5 5 DT H72 H 1 1.749 0.001 . . . . . . A 5 DT H72 . 34244 1 53 . 1 1 5 5 DT H73 H 1 1.749 0.001 . . . . . . A 5 DT H73 . 34244 1 54 . 1 1 6 6 DC H1' H 1 5.648 0.002 . . . . . . A 6 DC H1' . 34244 1 55 . 1 1 6 6 DC H2' H 1 2.033 0.001 . . . . . . A 6 DC H2' . 34244 1 56 . 1 1 6 6 DC H2'' H 1 2.405 0.001 . . . . . . A 6 DC H2'' . 34244 1 57 . 1 1 6 6 DC H3' H 1 4.878 0.001 . . . . . . A 6 DC H3' . 34244 1 58 . 1 1 6 6 DC H4' H 1 4.151 0.001 . . . . . . A 6 DC H4' . 34244 1 59 . 1 1 6 6 DC H5 H 1 5.799 0.002 . . . . . . A 6 DC H5 . 34244 1 60 . 1 1 6 6 DC H6 H 1 7.511 0.002 . . . . . . A 6 DC H6 . 34244 1 61 . 1 1 6 6 DC H41 H 1 8.462 0.002 . . . . . . A 6 DC H41 . 34244 1 62 . 1 1 6 6 DC H42 H 1 7.020 0.003 . . . . . . A 6 DC H42 . 34244 1 63 . 1 1 7 7 DA H1' H 1 6.213 0.001 . . . . . . A 7 DA H1' . 34244 1 64 . 1 1 7 7 DA H2 H 1 7.641 0.002 . . . . . . A 7 DA H2 . 34244 1 65 . 1 1 7 7 DA H2' H 1 2.711 0.003 . . . . . . A 7 DA H2' . 34244 1 66 . 1 1 7 7 DA H2'' H 1 2.908 0.002 . . . . . . A 7 DA H2'' . 34244 1 67 . 1 1 7 7 DA H3' H 1 5.024 0.001 . . . . . . A 7 DA H3' . 34244 1 68 . 1 1 7 7 DA H4' H 1 4.419 0.002 . . . . . . A 7 DA H4' . 34244 1 69 . 1 1 7 7 DA H5' H 1 4.156 0.003 . . . . . . A 7 DA H5' . 34244 1 70 . 1 1 7 7 DA H5'' H 1 4.078 0.002 . . . . . . A 7 DA H5'' . 34244 1 71 . 1 1 7 7 DA H8 H 1 8.362 0.001 . . . . . . A 7 DA H8 . 34244 1 72 . 1 1 7 7 DA H61 H 1 7.802 0.003 . . . . . . A 7 DA H61 . 34244 1 73 . 1 1 7 7 DA H62 H 1 6.442 0.002 . . . . . . A 7 DA H62 . 34244 1 74 . 1 1 8 8 DT H1' H 1 5.652 0.001 . . . . . . A 8 DT H1' . 34244 1 75 . 1 1 8 8 DT H2' H 1 1.747 0.001 . . . . . . A 8 DT H2' . 34244 1 76 . 1 1 8 8 DT H2'' H 1 2.189 0.003 . . . . . . A 8 DT H2'' . 34244 1 77 . 1 1 8 8 DT H3 H 1 13.572 0.002 . . . . . . A 8 DT H3 . 34244 1 78 . 1 1 8 8 DT H3' H 1 4.815 0.002 . . . . . . A 8 DT H3' . 34244 1 79 . 1 1 8 8 DT H4' H 1 4.057 0.001 . . . . . . A 8 DT H4' . 34244 1 80 . 1 1 8 8 DT H5' H 1 4.246 0.002 . . . . . . A 8 DT H5' . 34244 1 81 . 1 1 8 8 DT H5'' H 1 4.107 0.001 . . . . . . A 8 DT H5'' . 34244 1 82 . 1 1 8 8 DT H6 H 1 7.018 0.002 . . . . . . A 8 DT H6 . 34244 1 83 . 1 1 8 8 DT H71 H 1 1.446 0.002 . . . . . . A 8 DT H71 . 34244 1 84 . 1 1 8 8 DT H72 H 1 1.446 0.002 . . . . . . A 8 DT H72 . 34244 1 85 . 1 1 8 8 DT H73 H 1 1.446 0.002 . . . . . . A 8 DT H73 . 34244 1 86 . 1 1 9 9 DG H1 H 1 12.439 0.003 . . . . . . A 9 DG H1 . 34244 1 87 . 1 1 9 9 DG H1' H 1 5.255 0.001 . . . . . . A 9 DG H1' . 34244 1 88 . 1 1 9 9 DG H2' H 1 2.577 0.001 . . . . . . A 9 DG H2' . 34244 1 89 . 1 1 9 9 DG H2'' H 1 2.574 0.002 . . . . . . A 9 DG H2'' . 34244 1 90 . 1 1 9 9 DG H3' H 1 4.930 0.001 . . . . . . A 9 DG H3' . 34244 1 91 . 1 1 9 9 DG H4' H 1 4.259 0.002 . . . . . . A 9 DG H4' . 34244 1 92 . 1 1 9 9 DG H5' H 1 4.058 0.002 . . . . . . A 9 DG H5' . 34244 1 93 . 1 1 9 9 DG H5'' H 1 4.006 0.002 . . . . . . A 9 DG H5'' . 34244 1 94 . 1 1 9 9 DG H8 H 1 7.800 0.002 . . . . . . A 9 DG H8 . 34244 1 95 . 1 1 10 10 DA H1' H 1 6.145 0.002 . . . . . . A 10 DA H1' . 34244 1 96 . 1 1 10 10 DA H2 H 1 7.538 0.001 . . . . . . A 10 DA H2 . 34244 1 97 . 1 1 10 10 DA H2' H 1 2.527 0.002 . . . . . . A 10 DA H2' . 34244 1 98 . 1 1 10 10 DA H2'' H 1 2.784 0.003 . . . . . . A 10 DA H2'' . 34244 1 99 . 1 1 10 10 DA H3' H 1 4.920 0.002 . . . . . . A 10 DA H3' . 34244 1 100 . 1 1 10 10 DA H4' H 1 4.424 0.002 . . . . . . A 10 DA H4' . 34244 1 101 . 1 1 10 10 DA H5' H 1 4.258 0.002 . . . . . . A 10 DA H5' . 34244 1 102 . 1 1 10 10 DA H5'' H 1 4.177 0.003 . . . . . . A 10 DA H5'' . 34244 1 103 . 1 1 10 10 DA H8 H 1 8.141 0.002 . . . . . . A 10 DA H8 . 34244 1 104 . 1 1 10 10 DA H61 H 1 7.749 0.003 . . . . . . A 10 DA H61 . 34244 1 105 . 1 1 10 10 DA H62 H 1 6.379 0.003 . . . . . . A 10 DA H62 . 34244 1 106 . 1 1 11 11 DT H1' H 1 5.763 0.001 . . . . . . A 11 DT H1' . 34244 1 107 . 1 1 11 11 DT H2' H 1 1.800 0.001 . . . . . . A 11 DT H2' . 34244 1 108 . 1 1 11 11 DT H2'' H 1 2.241 0.002 . . . . . . A 11 DT H2'' . 34244 1 109 . 1 1 11 11 DT H3' H 1 4.820 0.002 . . . . . . A 11 DT H3' . 34244 1 110 . 1 1 11 11 DT H4' H 1 4.107 0.002 . . . . . . A 11 DT H4' . 34244 1 111 . 1 1 11 11 DT H5' H 1 4.184 0.002 . . . . . . A 11 DT H5' . 34244 1 112 . 1 1 11 11 DT H5'' H 1 4.023 0.002 . . . . . . A 11 DT H5'' . 34244 1 113 . 1 1 11 11 DT H6 H 1 6.951 0.002 . . . . . . A 11 DT H6 . 34244 1 114 . 1 1 11 11 DT H71 H 1 1.267 0.001 . . . . . . A 11 DT H71 . 34244 1 115 . 1 1 11 11 DT H72 H 1 1.267 0.001 . . . . . . A 11 DT H72 . 34244 1 116 . 1 1 11 11 DT H73 H 1 1.267 0.001 . . . . . . A 11 DT H73 . 34244 1 117 . 1 1 12 12 DA H1' H 1 6.114 0.002 . . . . . . A 12 DA H1' . 34244 1 118 . 1 1 12 12 DA H2 H 1 7.926 0.002 . . . . . . A 12 DA H2 . 34244 1 119 . 1 1 12 12 DA H2' H 1 2.744 0.001 . . . . . . A 12 DA H2' . 34244 1 120 . 1 1 12 12 DA H2'' H 1 2.775 0.003 . . . . . . A 12 DA H2'' . 34244 1 121 . 1 1 12 12 DA H3' H 1 5.019 0.002 . . . . . . A 12 DA H3' . 34244 1 122 . 1 1 12 12 DA H4' H 1 4.416 0.002 . . . . . . A 12 DA H4' . 34244 1 123 . 1 1 12 12 DA H5' H 1 4.113 0.003 . . . . . . A 12 DA H5' . 34244 1 124 . 1 1 12 12 DA H5'' H 1 4.022 0.002 . . . . . . A 12 DA H5'' . 34244 1 125 . 1 1 12 12 DA H8 H 1 8.333 0.002 . . . . . . A 12 DA H8 . 34244 1 126 . 1 1 12 12 DA H61 H 1 7.616 0.003 . . . . . . A 12 DA H61 . 34244 1 127 . 1 1 12 12 DA H62 H 1 7.008 0.002 . . . . . . A 12 DA H62 . 34244 1 128 . 1 1 13 13 DC H1' H 1 5.693 0.002 . . . . . . A 13 DC H1' . 34244 1 129 . 1 1 13 13 DC H2' H 1 1.882 0.001 . . . . . . A 13 DC H2' . 34244 1 130 . 1 1 13 13 DC H2'' H 1 2.310 0.001 . . . . . . A 13 DC H2'' . 34244 1 131 . 1 1 13 13 DC H3' H 1 4.769 0.003 . . . . . . A 13 DC H3' . 34244 1 132 . 1 1 13 13 DC H4' H 1 4.157 0.001 . . . . . . A 13 DC H4' . 34244 1 133 . 1 1 13 13 DC H5 H 1 5.401 0.001 . . . . . . A 13 DC H5 . 34244 1 134 . 1 1 13 13 DC H5' H 1 4.244 0.002 . . . . . . A 13 DC H5' . 34244 1 135 . 1 1 13 13 DC H5'' H 1 4.078 0.003 . . . . . . A 13 DC H5'' . 34244 1 136 . 1 1 13 13 DC H6 H 1 7.307 0.001 . . . . . . A 13 DC H6 . 34244 1 137 . 1 1 13 13 DC H41 H 1 8.258 0.003 . . . . . . A 13 DC H41 . 34244 1 138 . 1 1 13 13 DC H42 H 1 6.815 0.003 . . . . . . A 13 DC H42 . 34244 1 139 . 1 1 14 14 DG H1 H 1 13.119 0.001 . . . . . . A 14 DG H1 . 34244 1 140 . 1 1 14 14 DG H1' H 1 6.164 0.001 . . . . . . A 14 DG H1' . 34244 1 141 . 1 1 14 14 DG H2' H 1 2.594 0.002 . . . . . . A 14 DG H2' . 34244 1 142 . 1 1 14 14 DG H2'' H 1 2.375 0.003 . . . . . . A 14 DG H2'' . 34244 1 143 . 1 1 14 14 DG H3' H 1 4.664 0.001 . . . . . . A 14 DG H3' . 34244 1 144 . 1 1 14 14 DG H4' H 1 4.178 0.001 . . . . . . A 14 DG H4' . 34244 1 145 . 1 1 14 14 DG H5' H 1 4.078 0.002 . . . . . . A 14 DG H5' . 34244 1 146 . 1 1 14 14 DG H8 H 1 7.902 0.001 . . . . . . A 14 DG H8 . 34244 1 147 . 2 1 1 1 DC H1' H 1 5.816 0.001 . . . . . . B 15 DC H1' . 34244 1 148 . 2 1 1 1 DC H2' H 1 2.064 0.001 . . . . . . B 15 DC H2' . 34244 1 149 . 2 1 1 1 DC H2'' H 1 2.473 0.001 . . . . . . B 15 DC H2'' . 34244 1 150 . 2 1 1 1 DC H3' H 1 4.723 0.002 . . . . . . B 15 DC H3' . 34244 1 151 . 2 1 1 1 DC H4' H 1 4.096 0.001 . . . . . . B 15 DC H4' . 34244 1 152 . 2 1 1 1 DC H5 H 1 5.935 0.001 . . . . . . B 15 DC H5 . 34244 1 153 . 2 1 1 1 DC H5' H 1 3.747 0.001 . . . . . . B 15 DC H5' . 34244 1 154 . 2 1 1 1 DC H6 H 1 7.679 0.001 . . . . . . B 15 DC H6 . 34244 1 155 . 2 1 1 1 DC H41 H 1 7.118 0.003 . . . . . . B 15 DC H41 . 34244 1 156 . 2 1 1 1 DC H42 H 1 8.156 0.003 . . . . . . B 15 DC H42 . 34244 1 157 . 2 1 2 2 DG H1 H 1 12.946 0.003 . . . . . . B 16 DG H1 . 34244 1 158 . 2 1 2 2 DG H1' H 1 6.059 0.002 . . . . . . B 16 DG H1' . 34244 1 159 . 2 1 2 2 DG H2' H 1 2.704 0.002 . . . . . . B 16 DG H2' . 34244 1 160 . 2 1 2 2 DG H2'' H 1 2.841 0.002 . . . . . . B 16 DG H2'' . 34244 1 161 . 2 1 2 2 DG H3' H 1 4.994 0.001 . . . . . . B 16 DG H3' . 34244 1 162 . 2 1 2 2 DG H4' H 1 4.399 0.001 . . . . . . B 16 DG H4' . 34244 1 163 . 2 1 2 2 DG H5' H 1 4.052 0.002 . . . . . . B 16 DG H5' . 34244 1 164 . 2 1 2 2 DG H5'' H 1 4.132 0.001 . . . . . . B 16 DG H5'' . 34244 1 165 . 2 1 2 2 DG H8 H 1 8.000 0.001 . . . . . . B 16 DG H8 . 34244 1 166 . 2 1 3 3 DT H1' H 1 6.006 0.002 . . . . . . B 17 DT H1' . 34244 1 167 . 2 1 3 3 DT H2' H 1 2.230 0.002 . . . . . . B 17 DT H2' . 34244 1 168 . 2 1 3 3 DT H2'' H 1 2.519 0.002 . . . . . . B 17 DT H2'' . 34244 1 169 . 2 1 3 3 DT H3 H 1 13.748 0.003 . . . . . . B 17 DT H3 . 34244 1 170 . 2 1 3 3 DT H3' H 1 4.874 0.001 . . . . . . B 17 DT H3' . 34244 1 171 . 2 1 3 3 DT H4' H 1 4.261 0.002 . . . . . . B 17 DT H4' . 34244 1 172 . 2 1 3 3 DT H5' H 1 4.405 0.001 . . . . . . B 17 DT H5' . 34244 1 173 . 2 1 3 3 DT H6 H 1 7.292 0.001 . . . . . . B 17 DT H6 . 34244 1 174 . 2 1 3 3 DT H71 H 1 1.477 0.002 . . . . . . B 17 DT H71 . 34244 1 175 . 2 1 3 3 DT H72 H 1 1.477 0.002 . . . . . . B 17 DT H72 . 34244 1 176 . 2 1 3 3 DT H73 H 1 1.477 0.002 . . . . . . B 17 DT H73 . 34244 1 177 . 2 1 4 4 DC H1' H 1 6.016 0.001 . . . . . . B 18 DC H1' . 34244 1 178 . 2 1 4 4 DC H2' H 1 1.833 0.002 . . . . . . B 18 DC H2' . 34244 1 179 . 2 1 4 4 DC H2'' H 1 2.425 0.002 . . . . . . B 18 DC H2'' . 34244 1 180 . 2 1 4 4 DC H3' H 1 4.700 0.002 . . . . . . B 18 DC H3' . 34244 1 181 . 2 1 4 4 DC H4' H 1 4.139 0.002 . . . . . . B 18 DC H4' . 34244 1 182 . 2 1 4 4 DC H5 H 1 5.555 0.001 . . . . . . B 18 DC H5 . 34244 1 183 . 2 1 4 4 DC H5' H 1 4.333 0.001 . . . . . . B 18 DC H5' . 34244 1 184 . 2 1 4 4 DC H5'' H 1 4.241 0.002 . . . . . . B 18 DC H5'' . 34244 1 185 . 2 1 4 4 DC H6 H 1 7.525 0.001 . . . . . . B 18 DC H6 . 34244 1 186 . 2 1 4 4 DC H41 H 1 6.999 0.002 . . . . . . B 18 DC H41 . 34244 1 187 . 2 1 4 4 DC H42 H 1 7.659 0.003 . . . . . . B 18 DC H42 . 34244 1 188 . 2 1 5 5 DT H1' H 1 6.170 0.002 . . . . . . B 19 DT H1' . 34244 1 189 . 2 1 5 5 DT H2' H 1 2.499 0.003 . . . . . . B 19 DT H2' . 34244 1 190 . 2 1 5 5 DT H2'' H 1 2.574 0.003 . . . . . . B 19 DT H2'' . 34244 1 191 . 2 1 5 5 DT H3 H 1 13.472 0.003 . . . . . . B 19 DT H3 . 34244 1 192 . 2 1 5 5 DT H3' H 1 4.945 0.002 . . . . . . B 19 DT H3' . 34244 1 193 . 2 1 5 5 DT H4' H 1 4.339 0.001 . . . . . . B 19 DT H4' . 34244 1 194 . 2 1 5 5 DT H5' H 1 4.117 0.003 . . . . . . B 19 DT H5' . 34244 1 195 . 2 1 5 5 DT H5'' H 1 4.069 0.002 . . . . . . B 19 DT H5'' . 34244 1 196 . 2 1 5 5 DT H6 H 1 7.591 0.002 . . . . . . B 19 DT H6 . 34244 1 197 . 2 1 5 5 DT H71 H 1 1.749 0.001 . . . . . . B 19 DT H71 . 34244 1 198 . 2 1 5 5 DT H72 H 1 1.749 0.001 . . . . . . B 19 DT H72 . 34244 1 199 . 2 1 5 5 DT H73 H 1 1.749 0.001 . . . . . . B 19 DT H73 . 34244 1 200 . 2 1 6 6 DC H1' H 1 5.648 0.002 . . . . . . B 20 DC H1' . 34244 1 201 . 2 1 6 6 DC H2' H 1 2.033 0.001 . . . . . . B 20 DC H2' . 34244 1 202 . 2 1 6 6 DC H2'' H 1 2.405 0.001 . . . . . . B 20 DC H2'' . 34244 1 203 . 2 1 6 6 DC H3' H 1 4.878 0.001 . . . . . . B 20 DC H3' . 34244 1 204 . 2 1 6 6 DC H4' H 1 4.151 0.001 . . . . . . B 20 DC H4' . 34244 1 205 . 2 1 6 6 DC H5 H 1 5.799 0.002 . . . . . . B 20 DC H5 . 34244 1 206 . 2 1 6 6 DC H6 H 1 7.511 0.002 . . . . . . B 20 DC H6 . 34244 1 207 . 2 1 6 6 DC H41 H 1 8.462 0.002 . . . . . . B 20 DC H41 . 34244 1 208 . 2 1 6 6 DC H42 H 1 7.020 0.003 . . . . . . B 20 DC H42 . 34244 1 209 . 2 1 7 7 DA H1' H 1 6.213 0.001 . . . . . . B 21 DA H1' . 34244 1 210 . 2 1 7 7 DA H2 H 1 7.641 0.002 . . . . . . B 21 DA H2 . 34244 1 211 . 2 1 7 7 DA H2' H 1 2.711 0.003 . . . . . . B 21 DA H2' . 34244 1 212 . 2 1 7 7 DA H2'' H 1 2.908 0.002 . . . . . . B 21 DA H2'' . 34244 1 213 . 2 1 7 7 DA H3' H 1 5.024 0.001 . . . . . . B 21 DA H3' . 34244 1 214 . 2 1 7 7 DA H4' H 1 4.419 0.002 . . . . . . B 21 DA H4' . 34244 1 215 . 2 1 7 7 DA H5' H 1 4.156 0.003 . . . . . . B 21 DA H5' . 34244 1 216 . 2 1 7 7 DA H5'' H 1 4.078 0.002 . . . . . . B 21 DA H5'' . 34244 1 217 . 2 1 7 7 DA H8 H 1 8.362 0.001 . . . . . . B 21 DA H8 . 34244 1 218 . 2 1 7 7 DA H61 H 1 7.802 0.003 . . . . . . B 21 DA H61 . 34244 1 219 . 2 1 7 7 DA H62 H 1 6.442 0.002 . . . . . . B 21 DA H62 . 34244 1 220 . 2 1 8 8 DT H1' H 1 5.652 0.001 . . . . . . B 22 DT H1' . 34244 1 221 . 2 1 8 8 DT H2' H 1 1.747 0.001 . . . . . . B 22 DT H2' . 34244 1 222 . 2 1 8 8 DT H2'' H 1 2.189 0.003 . . . . . . B 22 DT H2'' . 34244 1 223 . 2 1 8 8 DT H3 H 1 13.572 0.002 . . . . . . B 22 DT H3 . 34244 1 224 . 2 1 8 8 DT H3' H 1 4.815 0.002 . . . . . . B 22 DT H3' . 34244 1 225 . 2 1 8 8 DT H4' H 1 4.057 0.001 . . . . . . B 22 DT H4' . 34244 1 226 . 2 1 8 8 DT H5' H 1 4.246 0.002 . . . . . . B 22 DT H5' . 34244 1 227 . 2 1 8 8 DT H5'' H 1 4.107 0.001 . . . . . . B 22 DT H5'' . 34244 1 228 . 2 1 8 8 DT H6 H 1 7.018 0.002 . . . . . . B 22 DT H6 . 34244 1 229 . 2 1 8 8 DT H71 H 1 1.446 0.002 . . . . . . B 22 DT H71 . 34244 1 230 . 2 1 8 8 DT H72 H 1 1.446 0.002 . . . . . . B 22 DT H72 . 34244 1 231 . 2 1 8 8 DT H73 H 1 1.446 0.002 . . . . . . B 22 DT H73 . 34244 1 232 . 2 1 9 9 DG H1 H 1 12.439 0.003 . . . . . . B 23 DG H1 . 34244 1 233 . 2 1 9 9 DG H1' H 1 5.255 0.001 . . . . . . B 23 DG H1' . 34244 1 234 . 2 1 9 9 DG H2' H 1 2.577 0.001 . . . . . . B 23 DG H2' . 34244 1 235 . 2 1 9 9 DG H2'' H 1 2.574 0.002 . . . . . . B 23 DG H2'' . 34244 1 236 . 2 1 9 9 DG H3' H 1 4.930 0.001 . . . . . . B 23 DG H3' . 34244 1 237 . 2 1 9 9 DG H4' H 1 4.259 0.002 . . . . . . B 23 DG H4' . 34244 1 238 . 2 1 9 9 DG H5' H 1 4.058 0.002 . . . . . . B 23 DG H5' . 34244 1 239 . 2 1 9 9 DG H5'' H 1 4.006 0.002 . . . . . . B 23 DG H5'' . 34244 1 240 . 2 1 9 9 DG H8 H 1 7.800 0.002 . . . . . . B 23 DG H8 . 34244 1 241 . 2 1 10 10 DA H1' H 1 6.145 0.002 . . . . . . B 24 DA H1' . 34244 1 242 . 2 1 10 10 DA H2 H 1 7.538 0.001 . . . . . . B 24 DA H2 . 34244 1 243 . 2 1 10 10 DA H2' H 1 2.527 0.002 . . . . . . B 24 DA H2' . 34244 1 244 . 2 1 10 10 DA H2'' H 1 2.784 0.003 . . . . . . B 24 DA H2'' . 34244 1 245 . 2 1 10 10 DA H3' H 1 4.920 0.002 . . . . . . B 24 DA H3' . 34244 1 246 . 2 1 10 10 DA H4' H 1 4.424 0.002 . . . . . . B 24 DA H4' . 34244 1 247 . 2 1 10 10 DA H5' H 1 4.258 0.002 . . . . . . B 24 DA H5' . 34244 1 248 . 2 1 10 10 DA H5'' H 1 4.177 0.003 . . . . . . B 24 DA H5'' . 34244 1 249 . 2 1 10 10 DA H8 H 1 8.141 0.002 . . . . . . B 24 DA H8 . 34244 1 250 . 2 1 10 10 DA H61 H 1 7.749 0.003 . . . . . . B 24 DA H61 . 34244 1 251 . 2 1 10 10 DA H62 H 1 6.379 0.003 . . . . . . B 24 DA H62 . 34244 1 252 . 2 1 11 11 DT H1' H 1 5.763 0.001 . . . . . . B 25 DT H1' . 34244 1 253 . 2 1 11 11 DT H2' H 1 1.800 0.001 . . . . . . B 25 DT H2' . 34244 1 254 . 2 1 11 11 DT H2'' H 1 2.241 0.002 . . . . . . B 25 DT H2'' . 34244 1 255 . 2 1 11 11 DT H3' H 1 4.820 0.002 . . . . . . B 25 DT H3' . 34244 1 256 . 2 1 11 11 DT H4' H 1 4.107 0.002 . . . . . . B 25 DT H4' . 34244 1 257 . 2 1 11 11 DT H5' H 1 4.184 0.002 . . . . . . B 25 DT H5' . 34244 1 258 . 2 1 11 11 DT H5'' H 1 4.023 0.002 . . . . . . B 25 DT H5'' . 34244 1 259 . 2 1 11 11 DT H6 H 1 6.951 0.002 . . . . . . B 25 DT H6 . 34244 1 260 . 2 1 11 11 DT H71 H 1 1.267 0.001 . . . . . . B 25 DT H71 . 34244 1 261 . 2 1 11 11 DT H72 H 1 1.267 0.001 . . . . . . B 25 DT H72 . 34244 1 262 . 2 1 11 11 DT H73 H 1 1.267 0.001 . . . . . . B 25 DT H73 . 34244 1 263 . 2 1 12 12 DA H1' H 1 6.114 0.002 . . . . . . B 26 DA H1' . 34244 1 264 . 2 1 12 12 DA H2 H 1 7.926 0.002 . . . . . . B 26 DA H2 . 34244 1 265 . 2 1 12 12 DA H2' H 1 2.744 0.001 . . . . . . B 26 DA H2' . 34244 1 266 . 2 1 12 12 DA H2'' H 1 2.775 0.003 . . . . . . B 26 DA H2'' . 34244 1 267 . 2 1 12 12 DA H3' H 1 5.019 0.002 . . . . . . B 26 DA H3' . 34244 1 268 . 2 1 12 12 DA H4' H 1 4.416 0.002 . . . . . . B 26 DA H4' . 34244 1 269 . 2 1 12 12 DA H5' H 1 4.113 0.003 . . . . . . B 26 DA H5' . 34244 1 270 . 2 1 12 12 DA H5'' H 1 4.022 0.002 . . . . . . B 26 DA H5'' . 34244 1 271 . 2 1 12 12 DA H8 H 1 8.333 0.002 . . . . . . B 26 DA H8 . 34244 1 272 . 2 1 12 12 DA H61 H 1 7.616 0.003 . . . . . . B 26 DA H61 . 34244 1 273 . 2 1 12 12 DA H62 H 1 7.008 0.002 . . . . . . B 26 DA H62 . 34244 1 274 . 2 1 13 13 DC H1' H 1 5.693 0.002 . . . . . . B 27 DC H1' . 34244 1 275 . 2 1 13 13 DC H2' H 1 1.882 0.001 . . . . . . B 27 DC H2' . 34244 1 276 . 2 1 13 13 DC H2'' H 1 2.310 0.001 . . . . . . B 27 DC H2'' . 34244 1 277 . 2 1 13 13 DC H3' H 1 4.769 0.003 . . . . . . B 27 DC H3' . 34244 1 278 . 2 1 13 13 DC H4' H 1 4.157 0.001 . . . . . . B 27 DC H4' . 34244 1 279 . 2 1 13 13 DC H5 H 1 5.401 0.001 . . . . . . B 27 DC H5 . 34244 1 280 . 2 1 13 13 DC H5' H 1 4.244 0.002 . . . . . . B 27 DC H5' . 34244 1 281 . 2 1 13 13 DC H5'' H 1 4.078 0.003 . . . . . . B 27 DC H5'' . 34244 1 282 . 2 1 13 13 DC H6 H 1 7.307 0.001 . . . . . . B 27 DC H6 . 34244 1 283 . 2 1 13 13 DC H41 H 1 8.258 0.003 . . . . . . B 27 DC H41 . 34244 1 284 . 2 1 13 13 DC H42 H 1 6.815 0.003 . . . . . . B 27 DC H42 . 34244 1 285 . 2 1 14 14 DG H1 H 1 13.119 0.001 . . . . . . B 28 DG H1 . 34244 1 286 . 2 1 14 14 DG H1' H 1 6.164 0.001 . . . . . . B 28 DG H1' . 34244 1 287 . 2 1 14 14 DG H2' H 1 2.594 0.002 . . . . . . B 28 DG H2' . 34244 1 288 . 2 1 14 14 DG H2'' H 1 2.375 0.003 . . . . . . B 28 DG H2'' . 34244 1 289 . 2 1 14 14 DG H3' H 1 4.664 0.001 . . . . . . B 28 DG H3' . 34244 1 290 . 2 1 14 14 DG H4' H 1 4.178 0.001 . . . . . . B 28 DG H4' . 34244 1 291 . 2 1 14 14 DG H5' H 1 4.078 0.002 . . . . . . B 28 DG H5' . 34244 1 292 . 2 1 14 14 DG H8 H 1 7.902 0.001 . . . . . . B 28 DG H8 . 34244 1 stop_ save_