################################### # 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 16138 _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 1H-1H NOESY' . . . 16138 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 DT H1' H 1 5.949 0.002 . 1 . . . . 1 T H1' . 16138 1 2 . 1 1 1 1 DT H2' H 1 2.054 0.003 . 1 . . . . 1 T H2' . 16138 1 3 . 1 1 1 1 DT H2'' H 1 2.446 0.003 . 1 . . . . 1 T H2'' . 16138 1 4 . 1 1 1 1 DT H3' H 1 4.648 0.002 . 1 . . . . 1 T H3' . 16138 1 5 . 1 1 1 1 DT H4' H 1 4.043 0.002 . 1 . . . . 1 T H4' . 16138 1 6 . 1 1 1 1 DT H5' H 1 3.679 0.003 . 1 . . . . 1 T H5' . 16138 1 7 . 1 1 1 1 DT H5'' H 1 3.679 0.003 . 1 . . . . 1 T H5'' . 16138 1 8 . 1 1 1 1 DT H6 H 1 7.499 0.002 . 1 . . . . 1 T H6 . 16138 1 9 . 1 1 1 1 DT H71 H 1 1.650 0.003 . 1 . . . . 1 T H7 . 16138 1 10 . 1 1 1 1 DT H72 H 1 1.650 0.003 . 1 . . . . 1 T H7 . 16138 1 11 . 1 1 1 1 DT H73 H 1 1.650 0.003 . 1 . . . . 1 T H7 . 16138 1 12 . 1 1 2 2 DT H1' H 1 5.556 0.002 . 1 . . . . 2 T H1' . 16138 1 13 . 1 1 2 2 DT H2' H 1 2.064 0.003 . 1 . . . . 2 T H2' . 16138 1 14 . 1 1 2 2 DT H2'' H 1 2.363 0.002 . 1 . . . . 2 T H2'' . 16138 1 15 . 1 1 2 2 DT H3' H 1 4.808 0.003 . 1 . . . . 2 T H3' . 16138 1 16 . 1 1 2 2 DT H4' H 1 4.091 0.002 . 1 . . . . 2 T H4' . 16138 1 17 . 1 1 2 2 DT H5' H 1 4.032 0.002 . 1 . . . . 2 T H5' . 16138 1 18 . 1 1 2 2 DT H5'' H 1 3.977 0.003 . 1 . . . . 2 T H5'' . 16138 1 19 . 1 1 2 2 DT H6 H 1 7.444 0.002 . 1 . . . . 2 T H6 . 16138 1 20 . 1 1 2 2 DT H71 H 1 1.716 0.002 . 1 . . . . 2 T H7 . 16138 1 21 . 1 1 2 2 DT H72 H 1 1.716 0.002 . 1 . . . . 2 T H7 . 16138 1 22 . 1 1 2 2 DT H73 H 1 1.716 0.002 . 1 . . . . 2 T H7 . 16138 1 23 . 1 1 3 3 DA H1' H 1 5.891 0.003 . 1 . . . . 3 A H1' . 16138 1 24 . 1 1 3 3 DA H2 H 1 7.007 0.002 . 1 . . . . 3 A H2 . 16138 1 25 . 1 1 3 3 DA H2' H 1 2.760 0.002 . 1 . . . . 3 A H2' . 16138 1 26 . 1 1 3 3 DA H2'' H 1 2.876 0.003 . 1 . . . . 3 A H2'' . 16138 1 27 . 1 1 3 3 DA H3' H 1 5.011 0.001 . 1 . . . . 3 A H3' . 16138 1 28 . 1 1 3 3 DA H4' H 1 4.378 0.002 . 1 . . . . 3 A H4' . 16138 1 29 . 1 1 3 3 DA H5' H 1 4.035 0.003 . 1 . . . . 3 A H5' . 16138 1 30 . 1 1 3 3 DA H5'' H 1 4.099 0.003 . 1 . . . . 3 A H5'' . 16138 1 31 . 1 1 3 3 DA H8 H 1 8.267 0.002 . 1 . . . . 3 A H8 . 16138 1 32 . 1 1 4 4 DA H1' H 1 6.160 0.003 . 1 . . . . 4 A H1' . 16138 1 33 . 1 1 4 4 DA H2 H 1 7.563 0.001 . 1 . . . . 4 A H2 . 16138 1 34 . 1 1 4 4 DA H2' H 1 2.555 0.003 . 1 . . . . 4 A H2' . 16138 1 35 . 1 1 4 4 DA H2'' H 1 2.875 0.003 . 1 . . . . 4 A H2'' . 16138 1 36 . 1 1 4 4 DA H3' H 1 4.962 0.003 . 1 . . . . 4 A H3' . 16138 1 37 . 1 1 4 4 DA H4' H 1 4.448 0.001 . 1 . . . . 4 A H4' . 16138 1 38 . 1 1 4 4 DA H5' H 1 4.210 0.002 . 1 . . . . 4 A H5' . 16138 1 39 . 1 1 4 4 DA H5'' H 1 4.241 0.003 . 1 . . . . 4 A H5'' . 16138 1 40 . 1 1 4 4 DA H8 H 1 8.147 0.003 . 1 . . . . 4 A H8 . 16138 1 41 . 1 1 5 5 DT H1' H 1 5.860 0.002 . 1 . . . . 5 T H1' . 16138 1 42 . 1 1 5 5 DT H2' H 1 1.961 0.002 . 1 . . . . 5 T H2' . 16138 1 43 . 1 1 5 5 DT H2'' H 1 2.497 0.003 . 1 . . . . 5 T H2'' . 16138 1 44 . 1 1 5 5 DT H3' H 1 4.781 0.002 . 1 . . . . 5 T H3' . 16138 1 45 . 1 1 5 5 DT H4' H 1 4.139 0.003 . 1 . . . . 5 T H4' . 16138 1 46 . 1 1 5 5 DT H5' H 1 4.098 0.002 . 1 . . . . 5 T H5' . 16138 1 47 . 1 1 5 5 DT H5'' H 1 4.265 0.003 . 1 . . . . 5 T H5'' . 16138 1 48 . 1 1 5 5 DT H6 H 1 7.112 0.002 . 1 . . . . 5 T H6 . 16138 1 49 . 1 1 5 5 DT H71 H 1 1.243 0.002 . 1 . . . . 5 T H7 . 16138 1 50 . 1 1 5 5 DT H72 H 1 1.243 0.002 . 1 . . . . 5 T H7 . 16138 1 51 . 1 1 5 5 DT H73 H 1 1.243 0.002 . 1 . . . . 5 T H7 . 16138 1 52 . 1 1 6 6 DT H1' H 1 6.050 0.003 . 1 . . . . 6 T H1' . 16138 1 53 . 1 1 6 6 DT H2' H 1 2.127 0.002 . 1 . . . . 6 T H2' . 16138 1 54 . 1 1 6 6 DT H2'' H 1 2.540 0.003 . 1 . . . . 6 T H2'' . 16138 1 55 . 1 1 6 6 DT H3' H 1 4.839 0.003 . 1 . . . . 6 T H3' . 16138 1 56 . 1 1 6 6 DT H4' H 1 4.140 0.002 . 1 . . . . 6 T H4' . 16138 1 57 . 1 1 6 6 DT H5'' H 1 4.051 0.003 . 1 . . . . 6 T H5'' . 16138 1 58 . 1 1 6 6 DT H6 H 1 7.410 0.003 . 1 . . . . 6 T H6 . 16138 1 59 . 1 1 6 6 DT H71 H 1 1.506 0.003 . 1 . . . . 6 T H7 . 16138 1 60 . 1 1 6 6 DT H72 H 1 1.506 0.003 . 1 . . . . 6 T H7 . 16138 1 61 . 1 1 6 6 DT H73 H 1 1.506 0.003 . 1 . . . . 6 T H7 . 16138 1 62 . 1 1 7 7 DT H1' H 1 5.862 0.001 . 1 . . . . 7 T H1' . 16138 1 63 . 1 1 7 7 DT H2' H 1 2.099 0.002 . 1 . . . . 7 T H2' . 16138 1 64 . 1 1 7 7 DT H2'' H 1 2.511 0.002 . 1 . . . . 7 T H2'' . 16138 1 65 . 1 1 7 7 DT H3' H 1 4.821 0.003 . 1 . . . . 7 T H3' . 16138 1 66 . 1 1 7 7 DT H4' H 1 4.078 0.003 . 1 . . . . 7 T H4' . 16138 1 67 . 1 1 7 7 DT H5' H 1 4.217 0.002 . 1 . . . . 7 T H5' . 16138 1 68 . 1 1 7 7 DT H5'' H 1 4.055 0.001 . 1 . . . . 7 T H5'' . 16138 1 69 . 1 1 7 7 DT H6 H 1 7.363 0.002 . 1 . . . . 7 T H6 . 16138 1 70 . 1 1 7 7 DT H71 H 1 1.633 0.002 . 1 . . . . 7 T H7 . 16138 1 71 . 1 1 7 7 DT H72 H 1 1.633 0.002 . 1 . . . . 7 T H7 . 16138 1 72 . 1 1 7 7 DT H73 H 1 1.633 0.002 . 1 . . . . 7 T H7 . 16138 1 73 . 1 1 8 8 D33 H1' H 1 5.637 0.002 . 1 . . . . 8 X H1' . 16138 1 74 . 1 1 8 8 D33 H2 H 1 7.247 0.001 . 1 . . . . 8 X H2 . 16138 1 75 . 1 1 8 8 D33 H2' H 1 2.151 0.002 . 1 . . . . 8 X H2' . 16138 1 76 . 1 1 8 8 D33 H2'' H 1 2.546 0.001 . 1 . . . . 8 X H2'' . 16138 1 77 . 1 1 8 8 D33 H3' H 1 4.815 0.002 . 1 . . . . 8 X H3' . 16138 1 78 . 1 1 8 8 D33 H4 H 1 6.591 0.002 . 1 . . . . 8 X H4 . 16138 1 79 . 1 1 8 8 D33 H4' H 1 4.194 0.002 . 1 . . . . 8 X H4' . 16138 1 80 . 1 1 8 8 D33 H5 H 1 7.222 0.002 . 1 . . . . 8 X H5 . 16138 1 81 . 1 1 8 8 D33 H5' H 1 4.077 0.001 . 1 . . . . 8 X H5' . 16138 1 82 . 1 1 8 8 D33 H5'' H 1 4.036 0.001 . 1 . . . . 8 X H5'' . 16138 1 83 . 1 1 9 9 D33 H1' H 1 5.534 0.002 . 1 . . . . 9 X H1' . 16138 1 84 . 1 1 9 9 D33 H2 H 1 7.109 0.002 . 1 . . . . 9 X H2 . 16138 1 85 . 1 1 9 9 D33 H2' H 1 2.111 0.002 . 1 . . . . 9 X H2' . 16138 1 86 . 1 1 9 9 D33 H2'' H 1 2.511 0.002 . 1 . . . . 9 X H2'' . 16138 1 87 . 1 1 9 9 D33 H3' H 1 4.789 0.002 . 1 . . . . 9 X H3' . 16138 1 88 . 1 1 9 9 D33 H4 H 1 6.280 0.002 . 1 . . . . 9 X H4 . 16138 1 89 . 1 1 9 9 D33 H4' H 1 4.186 0.002 . 1 . . . . 9 X H4' . 16138 1 90 . 1 1 9 9 D33 H5 H 1 7.002 0.002 . 1 . . . . 9 X H5 . 16138 1 91 . 1 1 9 9 D33 H5'' H 1 4.023 0.001 . 1 . . . . 9 X H5'' . 16138 1 92 . 1 1 10 10 D33 H1' H 1 5.339 0.002 . 1 . . . . 10 X H1' . 16138 1 93 . 1 1 10 10 D33 H2 H 1 6.927 0.002 . 1 . . . . 10 X H2 . 16138 1 94 . 1 1 10 10 D33 H2' H 1 1.922 0.002 . 1 . . . . 10 X H2' . 16138 1 95 . 1 1 10 10 D33 H2'' H 1 2.315 0.002 . 1 . . . . 10 X H2'' . 16138 1 96 . 1 1 10 10 D33 H3' H 1 4.763 0.001 . 1 . . . . 10 X H3' . 16138 1 97 . 1 1 10 10 D33 H4 H 1 5.960 0.002 . 1 . . . . 10 X H4 . 16138 1 98 . 1 1 10 10 D33 H4' H 1 4.097 0.001 . 1 . . . . 10 X H4' . 16138 1 99 . 1 1 10 10 D33 H5 H 1 6.774 0.002 . 1 . . . . 10 X H5 . 16138 1 100 . 1 1 10 10 D33 H5'' H 1 3.959 0.003 . 1 . . . . 10 X H5'' . 16138 1 101 . 1 1 11 11 DA H1' H 1 5.645 0.002 . 1 . . . . 11 A H1' . 16138 1 102 . 1 1 11 11 DA H2 H 1 7.073 0.002 . 1 . . . . 11 A H2 . 16138 1 103 . 1 1 11 11 DA H2' H 1 2.655 0.002 . 1 . . . . 11 A H2' . 16138 1 104 . 1 1 11 11 DA H2'' H 1 2.766 0.003 . 1 . . . . 11 A H2'' . 16138 1 105 . 1 1 11 11 DA H3' H 1 4.932 0.003 . 1 . . . . 11 A H3' . 16138 1 106 . 1 1 11 11 DA H4' H 1 4.266 0.003 . 1 . . . . 11 A H4' . 16138 1 107 . 1 1 11 11 DA H5' H 1 4.013 0.002 . 1 . . . . 11 A H5' . 16138 1 108 . 1 1 11 11 DA H5'' H 1 3.906 0.003 . 1 . . . . 11 A H5'' . 16138 1 109 . 1 1 11 11 DA H8 H 1 8.141 0.002 . 1 . . . . 11 A H8 . 16138 1 110 . 1 1 12 12 DA H1' H 1 5.799 0.003 . 1 . . . . 12 A H1' . 16138 1 111 . 1 1 12 12 DA H2 H 1 6.947 0.003 . 1 . . . . 12 A H2 . 16138 1 112 . 1 1 12 12 DA H2' H 1 2.516 0.003 . 1 . . . . 12 A H2' . 16138 1 113 . 1 1 12 12 DA H2'' H 1 2.792 0.003 . 1 . . . . 12 A H2'' . 16138 1 114 . 1 1 12 12 DA H3' H 1 4.943 0.003 . 1 . . . . 12 A H3' . 16138 1 115 . 1 1 12 12 DA H4' H 1 4.346 0.002 . 1 . . . . 12 A H4' . 16138 1 116 . 1 1 12 12 DA H5'' H 1 4.123 0.002 . 1 . . . . 12 A H5'' . 16138 1 117 . 1 1 12 12 DA H8 H 1 7.941 0.002 . 1 . . . . 12 A H8 . 16138 1 118 . 1 1 13 13 DA H1' H 1 6.032 0.002 . 1 . . . . 13 A H1' . 16138 1 119 . 1 1 13 13 DA H2 H 1 7.529 0.001 . 1 . . . . 13 A H2 . 16138 1 120 . 1 1 13 13 DA H2' H 1 2.443 0.003 . 1 . . . . 13 A H2' . 16138 1 121 . 1 1 13 13 DA H2'' H 1 2.820 0.003 . 1 . . . . 13 A H2'' . 16138 1 122 . 1 1 13 13 DA H3' H 1 4.904 0.002 . 1 . . . . 13 A H3' . 16138 1 123 . 1 1 13 13 DA H4' H 1 4.372 0.002 . 1 . . . . 13 A H4' . 16138 1 124 . 1 1 13 13 DA H5' H 1 4.149 0.002 . 1 . . . . 13 A H5' . 16138 1 125 . 1 1 13 13 DA H5'' H 1 4.176 0.002 . 1 . . . . 13 A H5'' . 16138 1 126 . 1 1 13 13 DA H8 H 1 7.973 0.003 . 1 . . . . 13 A H8 . 16138 1 127 . 1 1 14 14 DT H1' H 1 5.797 0.001 . 1 . . . . 14 T H1' . 16138 1 128 . 1 1 14 14 DT H2' H 1 1.835 0.002 . 1 . . . . 14 T H2' . 16138 1 129 . 1 1 14 14 DT H2'' H 1 2.408 0.002 . 1 . . . . 14 T H2'' . 16138 1 130 . 1 1 14 14 DT H3' H 1 4.750 0.001 . 1 . . . . 14 T H3' . 16138 1 131 . 1 1 14 14 DT H4' H 1 4.107 0.003 . 1 . . . . 14 T H4' . 16138 1 132 . 1 1 14 14 DT H5' H 1 4.035 0.002 . 1 . . . . 14 T H5' . 16138 1 133 . 1 1 14 14 DT H5'' H 1 4.240 0.002 . 1 . . . . 14 T H5'' . 16138 1 134 . 1 1 14 14 DT H6 H 1 7.018 0.003 . 1 . . . . 14 T H6 . 16138 1 135 . 1 1 14 14 DT H71 H 1 1.174 0.002 . 1 . . . . 14 T H7 . 16138 1 136 . 1 1 14 14 DT H72 H 1 1.174 0.002 . 1 . . . . 14 T H7 . 16138 1 137 . 1 1 14 14 DT H73 H 1 1.174 0.002 . 1 . . . . 14 T H7 . 16138 1 138 . 1 1 15 15 DT H1' H 1 5.633 0.002 . 1 . . . . 15 T H1' . 16138 1 139 . 1 1 15 15 DT H2' H 1 1.776 0.003 . 1 . . . . 15 T H2' . 16138 1 140 . 1 1 15 15 DT H2'' H 1 2.201 0.003 . 1 . . . . 15 T H2'' . 16138 1 141 . 1 1 15 15 DT H3' H 1 4.775 0.001 . 1 . . . . 15 T H3' . 16138 1 142 . 1 1 15 15 DT H4' H 1 4.022 0.003 . 1 . . . . 15 T H4' . 16138 1 143 . 1 1 15 15 DT H5' H 1 4.000 0.003 . 1 . . . . 15 T H5' . 16138 1 144 . 1 1 15 15 DT H5'' H 1 4.063 0.001 . 1 . . . . 15 T H5'' . 16138 1 145 . 1 1 15 15 DT H6 H 1 7.165 0.002 . 1 . . . . 15 T H6 . 16138 1 146 . 1 1 15 15 DT H71 H 1 1.538 0.002 . 1 . . . . 15 T H7 . 16138 1 147 . 1 1 15 15 DT H72 H 1 1.538 0.002 . 1 . . . . 15 T H7 . 16138 1 148 . 1 1 15 15 DT H73 H 1 1.538 0.002 . 1 . . . . 15 T H7 . 16138 1 149 . 1 1 16 16 DA H1' H 1 5.874 0.003 . 1 . . . . 16 A H1' . 16138 1 150 . 1 1 16 16 DA H2 H 1 7.292 0.002 . 1 . . . . 16 A H2 . 16138 1 151 . 1 1 16 16 DA H2' H 1 2.585 0.002 . 1 . . . . 16 A H2' . 16138 1 152 . 1 1 16 16 DA H2'' H 1 2.688 0.002 . 1 . . . . 16 A H2'' . 16138 1 153 . 1 1 16 16 DA H3' H 1 4.938 0.002 . 1 . . . . 16 A H3' . 16138 1 154 . 1 1 16 16 DA H4' H 1 4.282 0.003 . 1 . . . . 16 A H4' . 16138 1 155 . 1 1 16 16 DA H5' H 1 4.042 0.002 . 1 . . . . 16 A H5' . 16138 1 156 . 1 1 16 16 DA H5'' H 1 3.992 0.003 . 1 . . . . 16 A H5'' . 16138 1 157 . 1 1 16 16 DA H8 H 1 8.041 0.002 . 1 . . . . 16 A H8 . 16138 1 158 . 1 1 17 17 DA H1' H 1 6.140 0.003 . 1 . . . . 17 A H1' . 16138 1 159 . 1 1 17 17 DA H2 H 1 7.663 0.002 . 1 . . . . 17 A H2 . 16138 1 160 . 1 1 17 17 DA H2' H 1 2.502 0.001 . 1 . . . . 17 A H2' . 16138 1 161 . 1 1 17 17 DA H2'' H 1 2.296 0.002 . 1 . . . . 17 A H2'' . 16138 1 162 . 1 1 17 17 DA H3' H 1 4.614 0.003 . 1 . . . . 17 A H3' . 16138 1 163 . 1 1 17 17 DA H4' H 1 4.143 0.003 . 1 . . . . 17 A H4' . 16138 1 164 . 1 1 17 17 DA H5' H 1 4.193 0.003 . 1 . . . . 17 A H5' . 16138 1 165 . 1 1 17 17 DA H5'' H 1 4.078 0.003 . 1 . . . . 17 A H5'' . 16138 1 166 . 1 1 17 17 DA H8 H 1 8.030 0.003 . 1 . . . . 17 A H8 . 16138 1 167 . 1 1 18 18 DT H1' H 1 5.949 0.002 . 1 . . . . 18 T H1' . 16138 1 168 . 1 1 18 18 DT H2' H 1 2.054 0.003 . 1 . . . . 18 T H2' . 16138 1 169 . 1 1 18 18 DT H2'' H 1 2.446 0.003 . 1 . . . . 18 T H2'' . 16138 1 170 . 1 1 18 18 DT H3' H 1 4.648 0.002 . 1 . . . . 18 T H3' . 16138 1 171 . 1 1 18 18 DT H4' H 1 4.043 0.002 . 1 . . . . 18 T H4' . 16138 1 172 . 1 1 18 18 DT H5' H 1 3.679 0.003 . 1 . . . . 18 T H5' . 16138 1 173 . 1 1 18 18 DT H5'' H 1 3.679 0.003 . 1 . . . . 18 T H5'' . 16138 1 174 . 1 1 18 18 DT H6 H 1 7.499 0.002 . 1 . . . . 18 T H6 . 16138 1 175 . 1 1 18 18 DT H71 H 1 1.650 0.003 . 1 . . . . 18 T H7 . 16138 1 176 . 1 1 18 18 DT H72 H 1 1.650 0.003 . 1 . . . . 18 T H7 . 16138 1 177 . 1 1 18 18 DT H73 H 1 1.650 0.003 . 1 . . . . 18 T H7 . 16138 1 178 . 1 1 19 19 DT H1' H 1 5.556 0.002 . 1 . . . . 19 T H1' . 16138 1 179 . 1 1 19 19 DT H2' H 1 2.064 0.003 . 1 . . . . 19 T H2' . 16138 1 180 . 1 1 19 19 DT H2'' H 1 2.363 0.002 . 1 . . . . 19 T H2'' . 16138 1 181 . 1 1 19 19 DT H3' H 1 4.808 0.003 . 1 . . . . 19 T H3' . 16138 1 182 . 1 1 19 19 DT H4' H 1 4.091 0.002 . 1 . . . . 19 T H4' . 16138 1 183 . 1 1 19 19 DT H5' H 1 4.032 0.002 . 1 . . . . 19 T H5' . 16138 1 184 . 1 1 19 19 DT H5'' H 1 3.977 0.003 . 1 . . . . 19 T H5'' . 16138 1 185 . 1 1 19 19 DT H6 H 1 7.444 0.002 . 1 . . . . 19 T H6 . 16138 1 186 . 1 1 19 19 DT H71 H 1 1.716 0.002 . 1 . . . . 19 T H7 . 16138 1 187 . 1 1 19 19 DT H72 H 1 1.716 0.002 . 1 . . . . 19 T H7 . 16138 1 188 . 1 1 19 19 DT H73 H 1 1.716 0.002 . 1 . . . . 19 T H7 . 16138 1 189 . 1 1 20 20 DA H1' H 1 5.891 0.003 . 1 . . . . 20 A H1' . 16138 1 190 . 1 1 20 20 DA H2 H 1 7.007 0.002 . 1 . . . . 20 A H2 . 16138 1 191 . 1 1 20 20 DA H2' H 1 2.760 0.002 . 1 . . . . 20 A H2' . 16138 1 192 . 1 1 20 20 DA H2'' H 1 2.876 0.003 . 1 . . . . 20 A H2'' . 16138 1 193 . 1 1 20 20 DA H3' H 1 5.011 0.001 . 1 . . . . 20 A H3' . 16138 1 194 . 1 1 20 20 DA H4' H 1 4.378 0.002 . 1 . . . . 20 A H4' . 16138 1 195 . 1 1 20 20 DA H5' H 1 4.035 0.003 . 1 . . . . 20 A H5' . 16138 1 196 . 1 1 20 20 DA H5'' H 1 4.099 0.003 . 1 . . . . 20 A H5'' . 16138 1 197 . 1 1 20 20 DA H8 H 1 8.267 0.002 . 1 . . . . 20 A H8 . 16138 1 198 . 1 1 21 21 DA H1' H 1 6.160 0.003 . 1 . . . . 21 A H1' . 16138 1 199 . 1 1 21 21 DA H2 H 1 7.563 0.001 . 1 . . . . 21 A H2 . 16138 1 200 . 1 1 21 21 DA H2' H 1 2.555 0.003 . 1 . . . . 21 A H2' . 16138 1 201 . 1 1 21 21 DA H2'' H 1 2.875 0.003 . 1 . . . . 21 A H2'' . 16138 1 202 . 1 1 21 21 DA H3' H 1 4.962 0.003 . 1 . . . . 21 A H3' . 16138 1 203 . 1 1 21 21 DA H4' H 1 4.448 0.001 . 1 . . . . 21 A H4' . 16138 1 204 . 1 1 21 21 DA H5' H 1 4.210 0.002 . 1 . . . . 21 A H5' . 16138 1 205 . 1 1 21 21 DA H5'' H 1 4.241 0.003 . 1 . . . . 21 A H5'' . 16138 1 206 . 1 1 21 21 DA H8 H 1 8.147 0.003 . 1 . . . . 21 A H8 . 16138 1 207 . 1 1 22 22 DT H1' H 1 5.860 0.002 . 1 . . . . 22 T H1' . 16138 1 208 . 1 1 22 22 DT H2' H 1 1.961 0.002 . 1 . . . . 22 T H2' . 16138 1 209 . 1 1 22 22 DT H2'' H 1 2.497 0.003 . 1 . . . . 22 T H2'' . 16138 1 210 . 1 1 22 22 DT H3' H 1 4.781 0.002 . 1 . . . . 22 T H3' . 16138 1 211 . 1 1 22 22 DT H4' H 1 4.139 0.003 . 1 . . . . 22 T H4' . 16138 1 212 . 1 1 22 22 DT H5' H 1 4.098 0.002 . 1 . . . . 22 T H5' . 16138 1 213 . 1 1 22 22 DT H5'' H 1 4.265 0.003 . 1 . . . . 22 T H5'' . 16138 1 214 . 1 1 22 22 DT H6 H 1 7.112 0.002 . 1 . . . . 22 T H6 . 16138 1 215 . 1 1 22 22 DT H71 H 1 1.243 0.002 . 1 . . . . 22 T H7 . 16138 1 216 . 1 1 22 22 DT H72 H 1 1.243 0.002 . 1 . . . . 22 T H7 . 16138 1 217 . 1 1 22 22 DT H73 H 1 1.243 0.002 . 1 . . . . 22 T H7 . 16138 1 218 . 1 1 23 23 DT H1' H 1 6.050 0.003 . 1 . . . . 23 T H1' . 16138 1 219 . 1 1 23 23 DT H2' H 1 2.127 0.002 . 1 . . . . 23 T H2' . 16138 1 220 . 1 1 23 23 DT H2'' H 1 2.540 0.003 . 1 . . . . 23 T H2'' . 16138 1 221 . 1 1 23 23 DT H3' H 1 4.839 0.003 . 1 . . . . 23 T H3' . 16138 1 222 . 1 1 23 23 DT H4' H 1 4.140 0.002 . 1 . . . . 23 T H4' . 16138 1 223 . 1 1 23 23 DT H5'' H 1 4.051 0.003 . 1 . . . . 23 T H5'' . 16138 1 224 . 1 1 23 23 DT H6 H 1 7.410 0.003 . 1 . . . . 23 T H6 . 16138 1 225 . 1 1 23 23 DT H71 H 1 1.506 0.003 . 1 . . . . 23 T H7 . 16138 1 226 . 1 1 23 23 DT H72 H 1 1.506 0.003 . 1 . . . . 23 T H7 . 16138 1 227 . 1 1 23 23 DT H73 H 1 1.506 0.003 . 1 . . . . 23 T H7 . 16138 1 228 . 1 1 24 24 DT H1' H 1 5.862 0.001 . 1 . . . . 24 T H1' . 16138 1 229 . 1 1 24 24 DT H2' H 1 2.099 0.002 . 1 . . . . 24 T H2' . 16138 1 230 . 1 1 24 24 DT H2'' H 1 2.511 0.002 . 1 . . . . 24 T H2'' . 16138 1 231 . 1 1 24 24 DT H3' H 1 4.821 0.003 . 1 . . . . 24 T H3' . 16138 1 232 . 1 1 24 24 DT H4' H 1 4.078 0.003 . 1 . . . . 24 T H4' . 16138 1 233 . 1 1 24 24 DT H5' H 1 4.217 0.002 . 1 . . . . 24 T H5' . 16138 1 234 . 1 1 24 24 DT H5'' H 1 4.055 0.001 . 1 . . . . 24 T H5'' . 16138 1 235 . 1 1 24 24 DT H6 H 1 7.363 0.002 . 1 . . . . 24 T H6 . 16138 1 236 . 1 1 24 24 DT H71 H 1 1.633 0.002 . 1 . . . . 24 T H7 . 16138 1 237 . 1 1 24 24 DT H72 H 1 1.633 0.002 . 1 . . . . 24 T H7 . 16138 1 238 . 1 1 24 24 DT H73 H 1 1.633 0.002 . 1 . . . . 24 T H7 . 16138 1 239 . 1 1 25 25 D33 H1' H 1 5.637 0.002 . 1 . . . . 25 X H1' . 16138 1 240 . 1 1 25 25 D33 H2 H 1 7.247 0.001 . 1 . . . . 25 X H2 . 16138 1 241 . 1 1 25 25 D33 H2' H 1 2.151 0.002 . 1 . . . . 25 X H2' . 16138 1 242 . 1 1 25 25 D33 H2'' H 1 2.546 0.001 . 1 . . . . 25 X H2'' . 16138 1 243 . 1 1 25 25 D33 H3' H 1 4.815 0.002 . 1 . . . . 25 X H3' . 16138 1 244 . 1 1 25 25 D33 H4 H 1 6.591 0.002 . 1 . . . . 25 X H4 . 16138 1 245 . 1 1 25 25 D33 H4' H 1 4.194 0.002 . 1 . . . . 25 X H4' . 16138 1 246 . 1 1 25 25 D33 H5 H 1 7.222 0.002 . 1 . . . . 25 X H5 . 16138 1 247 . 1 1 25 25 D33 H5' H 1 4.077 0.001 . 1 . . . . 25 X H5' . 16138 1 248 . 1 1 25 25 D33 H5'' H 1 4.036 0.001 . 1 . . . . 25 X H5'' . 16138 1 249 . 1 1 26 26 D33 H1' H 1 5.534 0.002 . 1 . . . . 26 X H1' . 16138 1 250 . 1 1 26 26 D33 H2 H 1 7.109 0.002 . 1 . . . . 26 X H2 . 16138 1 251 . 1 1 26 26 D33 H2' H 1 2.111 0.002 . 1 . . . . 26 X H2' . 16138 1 252 . 1 1 26 26 D33 H2'' H 1 2.511 0.002 . 1 . . . . 26 X H2'' . 16138 1 253 . 1 1 26 26 D33 H3' H 1 4.789 0.002 . 1 . . . . 26 X H3' . 16138 1 254 . 1 1 26 26 D33 H4 H 1 6.280 0.002 . 1 . . . . 26 X H4 . 16138 1 255 . 1 1 26 26 D33 H4' H 1 4.186 0.002 . 1 . . . . 26 X H4' . 16138 1 256 . 1 1 26 26 D33 H5 H 1 7.002 0.002 . 1 . . . . 26 X H5 . 16138 1 257 . 1 1 26 26 D33 H5'' H 1 4.023 0.001 . 1 . . . . 26 X H5'' . 16138 1 258 . 1 1 27 27 D33 H1' H 1 5.339 0.002 . 1 . . . . 27 X H1' . 16138 1 259 . 1 1 27 27 D33 H2 H 1 6.927 0.002 . 1 . . . . 27 X H2 . 16138 1 260 . 1 1 27 27 D33 H2' H 1 1.922 0.002 . 1 . . . . 27 X H2' . 16138 1 261 . 1 1 27 27 D33 H2'' H 1 2.315 0.002 . 1 . . . . 27 X H2'' . 16138 1 262 . 1 1 27 27 D33 H3' H 1 4.763 0.001 . 1 . . . . 27 X H3' . 16138 1 263 . 1 1 27 27 D33 H4 H 1 5.960 0.002 . 1 . . . . 27 X H4 . 16138 1 264 . 1 1 27 27 D33 H4' H 1 4.097 0.001 . 1 . . . . 27 X H4' . 16138 1 265 . 1 1 27 27 D33 H5 H 1 6.774 0.002 . 1 . . . . 27 X H5 . 16138 1 266 . 1 1 27 27 D33 H5'' H 1 3.959 0.003 . 1 . . . . 27 X H5'' . 16138 1 267 . 1 1 28 28 DA H1' H 1 5.645 0.002 . 1 . . . . 28 A H1' . 16138 1 268 . 1 1 28 28 DA H2 H 1 7.073 0.002 . 1 . . . . 28 A H2 . 16138 1 269 . 1 1 28 28 DA H2' H 1 2.655 0.002 . 1 . . . . 28 A H2' . 16138 1 270 . 1 1 28 28 DA H2'' H 1 2.766 0.003 . 1 . . . . 28 A H2'' . 16138 1 271 . 1 1 28 28 DA H3' H 1 4.932 0.003 . 1 . . . . 28 A H3' . 16138 1 272 . 1 1 28 28 DA H4' H 1 4.266 0.003 . 1 . . . . 28 A H4' . 16138 1 273 . 1 1 28 28 DA H5' H 1 4.013 0.002 . 1 . . . . 28 A H5' . 16138 1 274 . 1 1 28 28 DA H5'' H 1 3.906 0.003 . 1 . . . . 28 A H5'' . 16138 1 275 . 1 1 28 28 DA H8 H 1 8.141 0.002 . 1 . . . . 28 A H8 . 16138 1 276 . 1 1 29 29 DA H1' H 1 5.799 0.003 . 1 . . . . 29 A H1' . 16138 1 277 . 1 1 29 29 DA H2 H 1 6.947 0.003 . 1 . . . . 29 A H2 . 16138 1 278 . 1 1 29 29 DA H2' H 1 2.516 0.003 . 1 . . . . 29 A H2' . 16138 1 279 . 1 1 29 29 DA H2'' H 1 2.792 0.003 . 1 . . . . 29 A H2'' . 16138 1 280 . 1 1 29 29 DA H3' H 1 4.943 0.003 . 1 . . . . 29 A H3' . 16138 1 281 . 1 1 29 29 DA H4' H 1 4.346 0.002 . 1 . . . . 29 A H4' . 16138 1 282 . 1 1 29 29 DA H5'' H 1 4.123 0.002 . 1 . . . . 29 A H5'' . 16138 1 283 . 1 1 29 29 DA H8 H 1 7.941 0.002 . 1 . . . . 29 A H8 . 16138 1 284 . 1 1 30 30 DA H1' H 1 6.032 0.002 . 1 . . . . 30 A H1' . 16138 1 285 . 1 1 30 30 DA H2 H 1 7.529 0.001 . 1 . . . . 30 A H2 . 16138 1 286 . 1 1 30 30 DA H2' H 1 2.443 0.003 . 1 . . . . 30 A H2' . 16138 1 287 . 1 1 30 30 DA H2'' H 1 2.820 0.003 . 1 . . . . 30 A H2'' . 16138 1 288 . 1 1 30 30 DA H3' H 1 4.904 0.002 . 1 . . . . 30 A H3' . 16138 1 289 . 1 1 30 30 DA H4' H 1 4.372 0.002 . 1 . . . . 30 A H4' . 16138 1 290 . 1 1 30 30 DA H5' H 1 4.149 0.002 . 1 . . . . 30 A H5' . 16138 1 291 . 1 1 30 30 DA H5'' H 1 4.176 0.002 . 1 . . . . 30 A H5'' . 16138 1 292 . 1 1 30 30 DA H8 H 1 7.973 0.003 . 1 . . . . 30 A H8 . 16138 1 293 . 1 1 31 31 DT H1' H 1 5.797 0.001 . 1 . . . . 31 T H1' . 16138 1 294 . 1 1 31 31 DT H2' H 1 1.835 0.002 . 1 . . . . 31 T H2' . 16138 1 295 . 1 1 31 31 DT H2'' H 1 2.408 0.002 . 1 . . . . 31 T H2'' . 16138 1 296 . 1 1 31 31 DT H3' H 1 4.750 0.001 . 1 . . . . 31 T H3' . 16138 1 297 . 1 1 31 31 DT H4' H 1 4.107 0.003 . 1 . . . . 31 T H4' . 16138 1 298 . 1 1 31 31 DT H5' H 1 4.035 0.002 . 1 . . . . 31 T H5' . 16138 1 299 . 1 1 31 31 DT H5'' H 1 4.240 0.002 . 1 . . . . 31 T H5'' . 16138 1 300 . 1 1 31 31 DT H6 H 1 7.018 0.003 . 1 . . . . 31 T H6 . 16138 1 301 . 1 1 31 31 DT H71 H 1 1.174 0.002 . 1 . . . . 31 T H7 . 16138 1 302 . 1 1 31 31 DT H72 H 1 1.174 0.002 . 1 . . . . 31 T H7 . 16138 1 303 . 1 1 31 31 DT H73 H 1 1.174 0.002 . 1 . . . . 31 T H7 . 16138 1 304 . 1 1 32 32 DT H1' H 1 5.633 0.002 . 1 . . . . 32 T H1' . 16138 1 305 . 1 1 32 32 DT H2' H 1 1.776 0.003 . 1 . . . . 32 T H2' . 16138 1 306 . 1 1 32 32 DT H2'' H 1 2.201 0.003 . 1 . . . . 32 T H2'' . 16138 1 307 . 1 1 32 32 DT H3' H 1 4.775 0.001 . 1 . . . . 32 T H3' . 16138 1 308 . 1 1 32 32 DT H4' H 1 4.022 0.003 . 1 . . . . 32 T H4' . 16138 1 309 . 1 1 32 32 DT H5' H 1 4.000 0.003 . 1 . . . . 32 T H5' . 16138 1 310 . 1 1 32 32 DT H5'' H 1 4.063 0.001 . 1 . . . . 32 T H5'' . 16138 1 311 . 1 1 32 32 DT H6 H 1 7.165 0.002 . 1 . . . . 32 T H6 . 16138 1 312 . 1 1 32 32 DT H71 H 1 1.538 0.002 . 1 . . . . 32 T H7 . 16138 1 313 . 1 1 32 32 DT H72 H 1 1.538 0.002 . 1 . . . . 32 T H7 . 16138 1 314 . 1 1 32 32 DT H73 H 1 1.538 0.002 . 1 . . . . 32 T H7 . 16138 1 315 . 1 1 33 33 DA H1' H 1 5.874 0.003 . 1 . . . . 33 A H1' . 16138 1 316 . 1 1 33 33 DA H2 H 1 7.292 0.002 . 1 . . . . 33 A H2 . 16138 1 317 . 1 1 33 33 DA H2' H 1 2.585 0.002 . 1 . . . . 33 A H2' . 16138 1 318 . 1 1 33 33 DA H2'' H 1 2.688 0.002 . 1 . . . . 33 A H2'' . 16138 1 319 . 1 1 33 33 DA H3' H 1 4.938 0.002 . 1 . . . . 33 A H3' . 16138 1 320 . 1 1 33 33 DA H4' H 1 4.282 0.003 . 1 . . . . 33 A H4' . 16138 1 321 . 1 1 33 33 DA H5' H 1 4.042 0.002 . 1 . . . . 33 A H5' . 16138 1 322 . 1 1 33 33 DA H5'' H 1 3.992 0.003 . 1 . . . . 33 A H5'' . 16138 1 323 . 1 1 33 33 DA H8 H 1 8.041 0.002 . 1 . . . . 33 A H8 . 16138 1 324 . 1 1 34 34 DA H1' H 1 6.140 0.003 . 1 . . . . 34 A H1' . 16138 1 325 . 1 1 34 34 DA H2 H 1 7.663 0.002 . 1 . . . . 34 A H2 . 16138 1 326 . 1 1 34 34 DA H2' H 1 2.502 0.001 . 1 . . . . 34 A H2' . 16138 1 327 . 1 1 34 34 DA H2'' H 1 2.296 0.002 . 1 . . . . 34 A H2'' . 16138 1 328 . 1 1 34 34 DA H3' H 1 4.614 0.003 . 1 . . . . 34 A H3' . 16138 1 329 . 1 1 34 34 DA H4' H 1 4.143 0.003 . 1 . . . . 34 A H4' . 16138 1 330 . 1 1 34 34 DA H5' H 1 4.193 0.003 . 1 . . . . 34 A H5' . 16138 1 331 . 1 1 34 34 DA H5'' H 1 4.078 0.003 . 1 . . . . 34 A H5'' . 16138 1 332 . 1 1 34 34 DA H8 H 1 8.030 0.003 . 1 . . . . 34 A H8 . 16138 1 stop_ save_