################################### # 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 34157 _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 DQF-COSY' . . . 34157 1 2 '2D 1H-1H TOCSY' . . . 34157 1 3 '2D 1H-13C HSQC' . . . 34157 1 4 '1H-31P COSY' . . . 34157 1 5 '2D 1H-1H NOESY' . . . 34157 1 6 '2D 1H-1H NOESY' . . . 34157 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 DCZ H1' H 1 5.759 0.001 . 1 . . . . A 1 DCZ H1' . 34157 1 2 . 1 1 1 1 DCZ H2'1 H 1 1.851 0.002 . 1 . . . . A 1 DCZ H2'1 . 34157 1 3 . 1 1 1 1 DCZ H2'2 H 1 2.372 0.001 . 1 . . . . A 1 DCZ H2'2 . 34157 1 4 . 1 1 1 1 DCZ H3' H 1 4.699 0.002 . 1 . . . . A 1 DCZ H3' . 34157 1 5 . 1 1 1 1 DCZ H4' H 1 4.058 0.001 . 1 . . . . A 1 DCZ H4' . 34157 1 6 . 1 1 1 1 DCZ H5 H 1 5.879 0.000 . 1 . . . . A 1 DCZ H5 . 34157 1 7 . 1 1 1 1 DCZ H5'1 H 1 3.707 0.000 . 1 . . . . A 1 DCZ H5'1 . 34157 1 8 . 1 1 1 1 DCZ H5'2 H 1 3.707 0.000 . 1 . . . . A 1 DCZ H5'2 . 34157 1 9 . 1 1 1 1 DCZ H6 H 1 7.591 0.002 . 1 . . . . A 1 DCZ H6 . 34157 1 10 . 1 1 2 2 DG H1 H 1 12.889 0.002 . 1 . . . . A 2 DG H1 . 34157 1 11 . 1 1 2 2 DG H1' H 1 5.432 0.001 . 1 . . . . A 2 DG H1' . 34157 1 12 . 1 1 2 2 DG H2' H 1 2.761 0.000 . 1 . . . . A 2 DG H2' . 34157 1 13 . 1 1 2 2 DG H2'' H 1 2.852 0.000 . 1 . . . . A 2 DG H2'' . 34157 1 14 . 1 1 2 2 DG H3' H 1 5.030 0.001 . 1 . . . . A 2 DG H3' . 34157 1 15 . 1 1 2 2 DG H4' H 1 4.316 0.001 . 1 . . . . A 2 DG H4' . 34157 1 16 . 1 1 2 2 DG H5' H 1 3.973 0.000 . 1 . . . . A 2 DG H5' . 34157 1 17 . 1 1 2 2 DG H5'' H 1 4.098 0.000 . 1 . . . . A 2 DG H5'' . 34157 1 18 . 1 1 2 2 DG H8 H 1 8.015 0.001 . 1 . . . . A 2 DG H8 . 34157 1 19 . 1 1 3 3 DA H1' H 1 6.346 0.001 . 1 . . . . A 3 DA H1' . 34157 1 20 . 1 1 3 3 DA H2 H 1 7.964 0.001 . 1 . . . . A 3 DA H2 . 34157 1 21 . 1 1 3 3 DA H2' H 1 2.828 0.001 . 1 . . . . A 3 DA H2' . 34157 1 22 . 1 1 3 3 DA H2'' H 1 3.007 0.002 . 1 . . . . A 3 DA H2'' . 34157 1 23 . 1 1 3 3 DA H3' H 1 5.122 0.001 . 1 . . . . A 3 DA H3' . 34157 1 24 . 1 1 3 3 DA H4' H 1 4.515 0.001 . 1 . . . . A 3 DA H4' . 34157 1 25 . 1 1 3 3 DA H5' H 1 4.203 0.001 . 1 . . . . A 3 DA H5' . 34157 1 26 . 1 1 3 3 DA H5'' H 1 4.261 0.000 . 1 . . . . A 3 DA H5'' . 34157 1 27 . 1 1 3 3 DA H8 H 1 8.429 0.001 . 1 . . . . A 3 DA H8 . 34157 1 28 . 1 1 4 4 DT H1' H 1 5.724 0.001 . 1 . . . . A 4 DT H1' . 34157 1 29 . 1 1 4 4 DT H2' H 1 2.492 0.001 . 1 . . . . A 4 DT H2' . 34157 1 30 . 1 1 4 4 DT H2'' H 1 2.575 0.001 . 1 . . . . A 4 DT H2'' . 34157 1 31 . 1 1 4 4 DT H3 H 1 13.724 0.001 . 1 . . . . A 4 DT H3 . 34157 1 32 . 1 1 4 4 DT H3' H 1 5.030 0.000 . 1 . . . . A 4 DT H3' . 34157 1 33 . 1 1 4 4 DT H4' H 1 4.254 0.000 . 1 . . . . A 4 DT H4' . 34157 1 34 . 1 1 4 4 DT H6 H 1 7.415 0.001 . 1 . . . . A 4 DT H6 . 34157 1 35 . 1 1 4 4 DT H71 H 1 1.554 0.000 . 1 . . . . A 4 DT H71 . 34157 1 36 . 1 1 4 4 DT H72 H 1 1.554 0.000 . 1 . . . . A 4 DT H72 . 34157 1 37 . 1 1 4 4 DT H73 H 1 1.554 0.000 . 1 . . . . A 4 DT H73 . 34157 1 38 . 1 1 5 5 DG H1 H 1 12.464 0.001 . 1 . . . . A 5 DG H1 . 34157 1 39 . 1 1 5 5 DG H1' H 1 5.858 0.001 . 1 . . . . A 5 DG H1' . 34157 1 40 . 1 1 5 5 DG H2' H 1 2.678 0.001 . 1 . . . . A 5 DG H2' . 34157 1 41 . 1 1 5 5 DG H2'' H 1 2.587 0.001 . 1 . . . . A 5 DG H2'' . 34157 1 42 . 1 1 5 5 DG H3' H 1 5.029 0.000 . 1 . . . . A 5 DG H3' . 34157 1 43 . 1 1 5 5 DG H4' H 1 4.251 0.001 . 1 . . . . A 5 DG H4' . 34157 1 44 . 1 1 5 5 DG H8 H 1 7.993 0.001 . 1 . . . . A 5 DG H8 . 34157 1 45 . 1 1 5 5 DG H21 H 1 8.303 0.001 . 1 . . . . A 5 DG H21 . 34157 1 46 . 1 1 5 5 DG H22 H 1 6.760 0.001 . 1 . . . . A 5 DG H22 . 34157 1 47 . 1 1 6 6 DT H1' H 1 4.893 0.002 . 1 . . . . A 6 DT H1' . 34157 1 48 . 1 1 6 6 DT H2' H 1 1.721 0.001 . 1 . . . . A 6 DT H2' . 34157 1 49 . 1 1 6 6 DT H2'' H 1 2.211 0.001 . 1 . . . . A 6 DT H2'' . 34157 1 50 . 1 1 6 6 DT H3 H 1 12.350 0.001 . 1 . . . . A 6 DT H3 . 34157 1 51 . 1 1 6 6 DT H3' H 1 4.564 0.001 . 1 . . . . A 6 DT H3' . 34157 1 52 . 1 1 6 6 DT H4' H 1 2.609 0.000 . 1 . . . . A 6 DT H4' . 34157 1 53 . 1 1 6 6 DT H5' H 1 3.384 0.001 . 1 . . . . A 6 DT H5' . 34157 1 54 . 1 1 6 6 DT H5'' H 1 3.851 0.001 . 1 . . . . A 6 DT H5'' . 34157 1 55 . 1 1 6 6 DT H6 H 1 6.955 0.001 . 1 . . . . A 6 DT H6 . 34157 1 56 . 1 1 6 6 DT H71 H 1 1.346 0.002 . 1 . . . . A 6 DT H71 . 34157 1 57 . 1 1 6 6 DT H72 H 1 1.346 0.002 . 1 . . . . A 6 DT H72 . 34157 1 58 . 1 1 6 6 DT H73 H 1 1.346 0.002 . 1 . . . . A 6 DT H73 . 34157 1 59 . 1 1 7 7 DA H1' H 1 5.514 0.001 . 1 . . . . A 7 DA H1' . 34157 1 60 . 1 1 7 7 DA H2 H 1 8.041 0.001 . 1 . . . . A 7 DA H2 . 34157 1 61 . 1 1 7 7 DA H2' H 1 2.182 0.002 . 1 . . . . A 7 DA H2' . 34157 1 62 . 1 1 7 7 DA H2'' H 1 2.684 0.000 . 1 . . . . A 7 DA H2'' . 34157 1 63 . 1 1 7 7 DA H3' H 1 4.671 0.001 . 1 . . . . A 7 DA H3' . 34157 1 64 . 1 1 7 7 DA H4' H 1 2.831 0.001 . 1 . . . . A 7 DA H4' . 34157 1 65 . 1 1 7 7 DA H5' H 1 3.579 0.001 . 1 . . . . A 7 DA H5' . 34157 1 66 . 1 1 7 7 DA H8 H 1 8.119 0.001 . 1 . . . . A 7 DA H8 . 34157 1 67 . 1 1 7 7 DA H61 H 1 8.454 0.001 . 1 . . . . A 7 DA H61 . 34157 1 68 . 1 1 8 8 DC H1' H 1 5.304 0.002 . 1 . . . . A 8 DC H1' . 34157 1 69 . 1 1 8 8 DC H2' H 1 1.439 0.000 . 1 . . . . A 8 DC H2' . 34157 1 70 . 1 1 8 8 DC H2'' H 1 2.304 0.000 . 1 . . . . A 8 DC H2'' . 34157 1 71 . 1 1 8 8 DC H3' H 1 4.539 0.002 . 1 . . . . A 8 DC H3' . 34157 1 72 . 1 1 8 8 DC H4' H 1 2.173 0.001 . 1 . . . . A 8 DC H4' . 34157 1 73 . 1 1 8 8 DC H5 H 1 5.273 0.001 . 1 . . . . A 8 DC H5 . 34157 1 74 . 1 1 8 8 DC H5' H 1 3.421 0.001 . 1 . . . . A 8 DC H5' . 34157 1 75 . 1 1 8 8 DC H5'' H 1 3.782 0.000 . 1 . . . . A 8 DC H5'' . 34157 1 76 . 1 1 8 8 DC H6 H 1 6.876 0.001 . 1 . . . . A 8 DC H6 . 34157 1 77 . 1 1 8 8 DC H41 H 1 8.608 0.536 . 1 . . . . A 8 DC H41 . 34157 1 78 . 1 1 8 8 DC H42 H 1 6.397 0.001 . 1 . . . . A 8 DC H42 . 34157 1 79 . 1 1 9 9 DA H1' H 1 5.558 0.002 . 1 . . . . A 9 DA H1' . 34157 1 80 . 1 1 9 9 DA H2 H 1 7.731 0.001 . 1 . . . . A 9 DA H2 . 34157 1 81 . 1 1 9 9 DA H2' H 1 2.174 0.000 . 1 . . . . A 9 DA H2' . 34157 1 82 . 1 1 9 9 DA H2'' H 1 2.561 0.000 . 1 . . . . A 9 DA H2'' . 34157 1 83 . 1 1 9 9 DA H3' H 1 4.653 0.001 . 1 . . . . A 9 DA H3' . 34157 1 84 . 1 1 9 9 DA H4' H 1 2.645 0.001 . 1 . . . . A 9 DA H4' . 34157 1 85 . 1 1 9 9 DA H5' H 1 3.550 0.001 . 1 . . . . A 9 DA H5' . 34157 1 86 . 1 1 9 9 DA H5'' H 1 3.663 0.000 . 1 . . . . A 9 DA H5'' . 34157 1 87 . 1 1 9 9 DA H8 H 1 8.297 0.000 . 1 . . . . A 9 DA H8 . 34157 1 88 . 1 1 10 10 DT H1' H 1 5.683 0.002 . 1 . . . . A 10 DT H1' . 34157 1 89 . 1 1 10 10 DT H2' H 1 1.860 0.001 . 1 . . . . A 10 DT H2' . 34157 1 90 . 1 1 10 10 DT H2'' H 1 2.288 0.001 . 1 . . . . A 10 DT H2'' . 34157 1 91 . 1 1 10 10 DT H3 H 1 13.532 0.000 . 1 . . . . A 10 DT H3 . 34157 1 92 . 1 1 10 10 DT H3' H 1 4.763 0.001 . 1 . . . . A 10 DT H3' . 34157 1 93 . 1 1 10 10 DT H4' H 1 3.897 0.002 . 1 . . . . A 10 DT H4' . 34157 1 94 . 1 1 10 10 DT H5' H 1 3.443 0.002 . 1 . . . . A 10 DT H5' . 34157 1 95 . 1 1 10 10 DT H5'' H 1 3.659 0.000 . 1 . . . . A 10 DT H5'' . 34157 1 96 . 1 1 10 10 DT H6 H 1 6.962 0.002 . 1 . . . . A 10 DT H6 . 34157 1 97 . 1 1 10 10 DT H71 H 1 1.437 0.001 . 1 . . . . A 10 DT H71 . 34157 1 98 . 1 1 10 10 DT H72 H 1 1.437 0.001 . 1 . . . . A 10 DT H72 . 34157 1 99 . 1 1 10 10 DT H73 H 1 1.437 0.001 . 1 . . . . A 10 DT H73 . 34157 1 100 . 1 1 11 11 DC H1' H 1 5.731 0.001 . 1 . . . . A 11 DC H1' . 34157 1 101 . 1 1 11 11 DC H2' H 1 1.959 0.001 . 1 . . . . A 11 DC H2' . 34157 1 102 . 1 1 11 11 DC H2'' H 1 2.352 0.001 . 1 . . . . A 11 DC H2'' . 34157 1 103 . 1 1 11 11 DC H3' H 1 4.816 0.000 . 1 . . . . A 11 DC H3' . 34157 1 104 . 1 1 11 11 DC H4' H 1 4.101 0.001 . 1 . . . . A 11 DC H4' . 34157 1 105 . 1 1 11 11 DC H5 H 1 5.614 0.001 . 1 . . . . A 11 DC H5 . 34157 1 106 . 1 1 11 11 DC H6 H 1 7.403 0.001 . 1 . . . . A 11 DC H6 . 34157 1 107 . 1 1 11 11 DC H41 H 1 8.395 0.496 . 1 . . . . A 11 DC H41 . 34157 1 108 . 1 1 11 11 DC H42 H 1 6.907 0.001 . 1 . . . . A 11 DC H42 . 34157 1 109 . 1 1 12 12 DG H1' H 1 6.148 0.000 . 1 . . . . A 12 DG H1' . 34157 1 110 . 1 1 12 12 DG H2' H 1 2.364 0.000 . 1 . . . . A 12 DG H2' . 34157 1 111 . 1 1 12 12 DG H2'' H 1 2.592 0.002 . 1 . . . . A 12 DG H2'' . 34157 1 112 . 1 1 12 12 DG H3' H 1 4.674 0.000 . 1 . . . . A 12 DG H3' . 34157 1 113 . 1 1 12 12 DG H4' H 1 4.174 0.000 . 1 . . . . A 12 DG H4' . 34157 1 114 . 1 1 12 12 DG H5' H 1 4.084 0.000 . 1 . . . . A 12 DG H5' . 34157 1 115 . 1 1 12 12 DG H8 H 1 7.933 0.001 . 1 . . . . A 12 DG H8 . 34157 1 116 . 2 1 1 1 DCZ H1' H 1 5.742 0.001 . 1 . . . . B 13 DCZ H1' . 34157 1 117 . 2 1 1 1 DCZ H2'1 H 1 1.965 0.001 . 1 . . . . B 13 DCZ H2'1 . 34157 1 118 . 2 1 1 1 DCZ H2'2 H 1 2.431 0.002 . 1 . . . . B 13 DCZ H2'2 . 34157 1 119 . 2 1 1 1 DCZ H3' H 1 4.720 0.002 . 1 . . . . B 13 DCZ H3' . 34157 1 120 . 2 1 1 1 DCZ H4' H 1 4.065 0.002 . 1 . . . . B 13 DCZ H4' . 34157 1 121 . 2 1 1 1 DCZ H5 H 1 5.912 0.001 . 1 . . . . B 13 DCZ H5 . 34157 1 122 . 2 1 1 1 DCZ H5'1 H 1 3.735 0.000 . 1 . . . . B 13 DCZ H5'1 . 34157 1 123 . 2 1 1 1 DCZ H5'2 H 1 3.735 0.000 . 1 . . . . B 13 DCZ H5'2 . 34157 1 124 . 2 1 1 1 DCZ H6 H 1 7.648 0.002 . 1 . . . . B 13 DCZ H6 . 34157 1 125 . 2 1 2 2 DG H1 H 1 12.824 0.001 . 1 . . . . B 14 DG H1 . 34157 1 126 . 2 1 2 2 DG H1' H 1 5.660 0.001 . 1 . . . . B 14 DG H1' . 34157 1 127 . 2 1 2 2 DG H2' H 1 2.764 0.001 . 1 . . . . B 14 DG H2' . 34157 1 128 . 2 1 2 2 DG H2'' H 1 2.884 0.002 . 1 . . . . B 14 DG H2'' . 34157 1 129 . 2 1 2 2 DG H3' H 1 5.037 0.002 . 1 . . . . B 14 DG H3' . 34157 1 130 . 2 1 2 2 DG H4' H 1 4.360 0.001 . 1 . . . . B 14 DG H4' . 34157 1 131 . 2 1 2 2 DG H5' H 1 4.002 0.000 . 1 . . . . B 14 DG H5' . 34157 1 132 . 2 1 2 2 DG H5'' H 1 4.115 0.000 . 1 . . . . B 14 DG H5'' . 34157 1 133 . 2 1 2 2 DG H8 H 1 8.001 0.001 . 1 . . . . B 14 DG H8 . 34157 1 134 . 2 1 3 3 DA H1' H 1 6.321 0.001 . 1 . . . . B 15 DA H1' . 34157 1 135 . 2 1 3 3 DA H2 H 1 7.891 0.001 . 1 . . . . B 15 DA H2 . 34157 1 136 . 2 1 3 3 DA H2' H 1 2.696 0.001 . 1 . . . . B 15 DA H2' . 34157 1 137 . 2 1 3 3 DA H2'' H 1 2.971 0.001 . 1 . . . . B 15 DA H2'' . 34157 1 138 . 2 1 3 3 DA H3' H 1 5.094 0.001 . 1 . . . . B 15 DA H3' . 34157 1 139 . 2 1 3 3 DA H4' H 1 4.500 0.001 . 1 . . . . B 15 DA H4' . 34157 1 140 . 2 1 3 3 DA H5' H 1 4.256 0.000 . 1 . . . . B 15 DA H5' . 34157 1 141 . 2 1 3 3 DA H5'' H 1 4.255 0.000 . 1 . . . . B 15 DA H5'' . 34157 1 142 . 2 1 3 3 DA H8 H 1 8.312 0.001 . 1 . . . . B 15 DA H8 . 34157 1 143 . 2 1 4 4 DT H1' H 1 5.611 0.001 . 1 . . . . B 16 DT H1' . 34157 1 144 . 2 1 4 4 DT H2' H 1 2.243 0.000 . 1 . . . . B 16 DT H2' . 34157 1 145 . 2 1 4 4 DT H2'' H 1 2.369 0.001 . 1 . . . . B 16 DT H2'' . 34157 1 146 . 2 1 4 4 DT H3 H 1 13.499 0.001 . 1 . . . . B 16 DT H3 . 34157 1 147 . 2 1 4 4 DT H3' H 1 4.921 0.002 . 1 . . . . B 16 DT H3' . 34157 1 148 . 2 1 4 4 DT H4' H 1 4.132 0.001 . 1 . . . . B 16 DT H4' . 34157 1 149 . 2 1 4 4 DT H5' H 1 4.178 0.000 . 1 . . . . B 16 DT H5' . 34157 1 150 . 2 1 4 4 DT H5'' H 1 4.248 0.001 . 1 . . . . B 16 DT H5'' . 34157 1 151 . 2 1 4 4 DT H6 H 1 7.270 0.001 . 1 . . . . B 16 DT H6 . 34157 1 152 . 2 1 4 4 DT H71 H 1 1.517 0.001 . 1 . . . . B 16 DT H71 . 34157 1 153 . 2 1 4 4 DT H72 H 1 1.517 0.001 . 1 . . . . B 16 DT H72 . 34157 1 154 . 2 1 4 4 DT H73 H 1 1.517 0.001 . 1 . . . . B 16 DT H73 . 34157 1 155 . 2 1 5 5 DG H1 H 1 12.739 0.000 . 1 . . . . B 17 DG H1 . 34157 1 156 . 2 1 5 5 DG H1' H 1 5.780 0.001 . 1 . . . . B 17 DG H1' . 34157 1 157 . 2 1 5 5 DG H2' H 1 2.633 0.001 . 1 . . . . B 17 DG H2' . 34157 1 158 . 2 1 5 5 DG H2'' H 1 2.634 0.000 . 1 . . . . B 17 DG H2'' . 34157 1 159 . 2 1 5 5 DG H3' H 1 4.990 0.002 . 1 . . . . B 17 DG H3' . 34157 1 160 . 2 1 5 5 DG H4' H 1 4.258 0.001 . 1 . . . . B 17 DG H4' . 34157 1 161 . 2 1 5 5 DG H5' H 1 3.644 0.001 . 1 . . . . B 17 DG H5' . 34157 1 162 . 2 1 5 5 DG H5'' H 1 3.837 0.000 . 1 . . . . B 17 DG H5'' . 34157 1 163 . 2 1 5 5 DG H8 H 1 8.002 0.000 . 1 . . . . B 17 DG H8 . 34157 1 164 . 2 1 5 5 DG H21 H 1 8.494 0.001 . 1 . . . . B 17 DG H21 . 34157 1 165 . 2 1 5 5 DG H22 H 1 7.239 0.001 . 1 . . . . B 17 DG H22 . 34157 1 166 . 2 1 6 6 DT H1' H 1 5.190 0.001 . 1 . . . . B 18 DT H1' . 34157 1 167 . 2 1 6 6 DT H2' H 1 1.697 0.001 . 1 . . . . B 18 DT H2' . 34157 1 168 . 2 1 6 6 DT H2'' H 1 2.244 0.001 . 1 . . . . B 18 DT H2'' . 34157 1 169 . 2 1 6 6 DT H3 H 1 12.776 0.002 . 1 . . . . B 18 DT H3 . 34157 1 170 . 2 1 6 6 DT H3' H 1 4.620 0.002 . 1 . . . . B 18 DT H3' . 34157 1 171 . 2 1 6 6 DT H4' H 1 2.046 0.001 . 1 . . . . B 18 DT H4' . 34157 1 172 . 2 1 6 6 DT H6 H 1 6.969 0.001 . 1 . . . . B 18 DT H6 . 34157 1 173 . 2 1 6 6 DT H71 H 1 1.438 0.001 . 1 . . . . B 18 DT H71 . 34157 1 174 . 2 1 6 6 DT H72 H 1 1.438 0.001 . 1 . . . . B 18 DT H72 . 34157 1 175 . 2 1 6 6 DT H73 H 1 1.438 0.001 . 1 . . . . B 18 DT H73 . 34157 1 176 . 2 1 7 7 DA H1' H 1 5.506 0.001 . 1 . . . . B 19 DA H1' . 34157 1 177 . 2 1 7 7 DA H2 H 1 8.022 0.002 . 1 . . . . B 19 DA H2 . 34157 1 178 . 2 1 7 7 DA H2' H 1 2.160 0.002 . 1 . . . . B 19 DA H2' . 34157 1 179 . 2 1 7 7 DA H2'' H 1 2.699 0.001 . 1 . . . . B 19 DA H2'' . 34157 1 180 . 2 1 7 7 DA H3' H 1 4.664 0.001 . 1 . . . . B 19 DA H3' . 34157 1 181 . 2 1 7 7 DA H4' H 1 2.604 0.001 . 1 . . . . B 19 DA H4' . 34157 1 182 . 2 1 7 7 DA H5' H 1 3.576 0.000 . 1 . . . . B 19 DA H5' . 34157 1 183 . 2 1 7 7 DA H5'' H 1 3.780 0.001 . 1 . . . . B 19 DA H5'' . 34157 1 184 . 2 1 7 7 DA H8 H 1 8.141 0.001 . 1 . . . . B 19 DA H8 . 34157 1 185 . 2 1 7 7 DA H61 H 1 8.446 0.001 . 1 . . . . B 19 DA H61 . 34157 1 186 . 2 1 7 7 DA H62 H 1 5.602 0.001 . 1 . . . . B 19 DA H62 . 34157 1 187 . 2 1 8 8 DC H1' H 1 5.331 0.001 . 1 . . . . B 20 DC H1' . 34157 1 188 . 2 1 8 8 DC H2' H 1 1.511 0.000 . 1 . . . . B 20 DC H2' . 34157 1 189 . 2 1 8 8 DC H2'' H 1 2.296 0.001 . 1 . . . . B 20 DC H2'' . 34157 1 190 . 2 1 8 8 DC H3' H 1 4.549 0.001 . 1 . . . . B 20 DC H3' . 34157 1 191 . 2 1 8 8 DC H4' H 1 2.316 0.002 . 1 . . . . B 20 DC H4' . 34157 1 192 . 2 1 8 8 DC H5 H 1 5.315 0.002 . 1 . . . . B 20 DC H5 . 34157 1 193 . 2 1 8 8 DC H5' H 1 3.445 0.000 . 1 . . . . B 20 DC H5' . 34157 1 194 . 2 1 8 8 DC H5'' H 1 3.777 0.000 . 1 . . . . B 20 DC H5'' . 34157 1 195 . 2 1 8 8 DC H6 H 1 6.914 0.001 . 1 . . . . B 20 DC H6 . 34157 1 196 . 2 1 8 8 DC H41 H 1 8.691 0.001 . 1 . . . . B 20 DC H41 . 34157 1 197 . 2 1 8 8 DC H42 H 1 6.501 0.001 . 1 . . . . B 20 DC H42 . 34157 1 198 . 2 1 9 9 DA H1' H 1 5.473 0.001 . 1 . . . . B 21 DA H1' . 34157 1 199 . 2 1 9 9 DA H2 H 1 7.711 0.001 . 1 . . . . B 21 DA H2 . 34157 1 200 . 2 1 9 9 DA H2' H 1 2.178 0.001 . 1 . . . . B 21 DA H2' . 34157 1 201 . 2 1 9 9 DA H2'' H 1 2.475 0.001 . 1 . . . . B 21 DA H2'' . 34157 1 202 . 2 1 9 9 DA H3' H 1 4.642 0.002 . 1 . . . . B 21 DA H3' . 34157 1 203 . 2 1 9 9 DA H4' H 1 2.886 0.001 . 1 . . . . B 21 DA H4' . 34157 1 204 . 2 1 9 9 DA H5' H 1 3.537 0.001 . 1 . . . . B 21 DA H5' . 34157 1 205 . 2 1 9 9 DA H8 H 1 8.299 0.001 . 1 . . . . B 21 DA H8 . 34157 1 206 . 2 1 10 10 DT H1' H 1 5.722 0.001 . 1 . . . . B 22 DT H1' . 34157 1 207 . 2 1 10 10 DT H2' H 1 1.835 0.001 . 1 . . . . B 22 DT H2' . 34157 1 208 . 2 1 10 10 DT H2'' H 1 2.097 0.001 . 1 . . . . B 22 DT H2'' . 34157 1 209 . 2 1 10 10 DT H3 H 1 13.818 0.001 . 1 . . . . B 22 DT H3 . 34157 1 210 . 2 1 10 10 DT H3' H 1 4.765 0.001 . 1 . . . . B 22 DT H3' . 34157 1 211 . 2 1 10 10 DT H4' H 1 3.741 0.000 . 1 . . . . B 22 DT H4' . 34157 1 212 . 2 1 10 10 DT H5' H 1 3.531 0.001 . 1 . . . . B 22 DT H5' . 34157 1 213 . 2 1 10 10 DT H5'' H 1 3.736 0.001 . 1 . . . . B 22 DT H5'' . 34157 1 214 . 2 1 10 10 DT H6 H 1 6.950 0.001 . 1 . . . . B 22 DT H6 . 34157 1 215 . 2 1 10 10 DT H71 H 1 1.355 0.002 . 1 . . . . B 22 DT H71 . 34157 1 216 . 2 1 10 10 DT H72 H 1 1.355 0.002 . 1 . . . . B 22 DT H72 . 34157 1 217 . 2 1 10 10 DT H73 H 1 1.355 0.002 . 1 . . . . B 22 DT H73 . 34157 1 218 . 2 1 11 11 DC H1' H 1 5.487 0.001 . 1 . . . . B 23 DC H1' . 34157 1 219 . 2 1 11 11 DC H2' H 1 2.095 0.000 . 1 . . . . B 23 DC H2' . 34157 1 220 . 2 1 11 11 DC H2'' H 1 2.308 0.002 . 1 . . . . B 23 DC H2'' . 34157 1 221 . 2 1 11 11 DC H3' H 1 4.791 0.001 . 1 . . . . B 23 DC H3' . 34157 1 222 . 2 1 11 11 DC H4' H 1 4.110 0.001 . 1 . . . . B 23 DC H4' . 34157 1 223 . 2 1 11 11 DC H5 H 1 5.649 0.001 . 1 . . . . B 23 DC H5 . 34157 1 224 . 2 1 11 11 DC H6 H 1 7.457 0.001 . 1 . . . . B 23 DC H6 . 34157 1 225 . 2 1 11 11 DC H41 H 1 8.630 0.000 . 1 . . . . B 23 DC H41 . 34157 1 226 . 2 1 11 11 DC H42 H 1 6.951 0.001 . 1 . . . . B 23 DC H42 . 34157 1 227 . 2 1 12 12 DG H1' H 1 6.170 0.001 . 1 . . . . B 24 DG H1' . 34157 1 228 . 2 1 12 12 DG H2' H 1 2.396 0.001 . 1 . . . . B 24 DG H2' . 34157 1 229 . 2 1 12 12 DG H2'' H 1 2.613 0.001 . 1 . . . . B 24 DG H2'' . 34157 1 230 . 2 1 12 12 DG H3' H 1 4.676 0.001 . 1 . . . . B 24 DG H3' . 34157 1 231 . 2 1 12 12 DG H4' H 1 4.162 0.000 . 1 . . . . B 24 DG H4' . 34157 1 232 . 2 1 12 12 DG H5' H 1 4.048 0.000 . 1 . . . . B 24 DG H5' . 34157 1 233 . 2 1 12 12 DG H8 H 1 7.941 0.001 . 1 . . . . B 24 DG H8 . 34157 1 234 . 3 2 1 1 9T5 H881 H 1 2.773 0.001 . 1 . . . . A 101 9T5 H881 . 34157 1 235 . 3 2 1 1 9T5 H83 H 1 8.968 0.001 . 2 . . . . A 101 9T5 H83 . 34157 1 236 . 4 3 1 1 PYB H H 1 9.737 0.002 . 1 . . . . A 102 PYB H . 34157 1 237 . 4 3 1 1 PYB HB1 H 1 5.990 0.001 . 1 . . . . A 102 PYB HB1 . 34157 1 238 . 4 3 1 1 PYB HB H 1 7.628 0.002 . 1 . . . . A 102 PYB HB . 34157 1 239 . 4 3 1 1 PYB HD1 H 1 3.921 0.002 . 1 . . . . A 102 PYB HD1 . 34157 1 240 . 5 3 1 1 PYB H H 1 10.486 0.001 . 1 . . . . A 103 PYB H . 34157 1 241 . 5 3 1 1 PYB HB1 H 1 6.231 0.001 . 1 . . . . A 103 PYB HB1 . 34157 1 242 . 5 3 1 1 PYB HB H 1 7.611 0.002 . 1 . . . . A 103 PYB HB . 34157 1 243 . 5 3 1 1 PYB HD1 H 1 3.782 0.000 . 1 . . . . A 103 PYB HD1 . 34157 1 244 . 6 3 1 1 PYB H H 1 9.158 0.001 . 1 . . . . A 104 PYB H . 34157 1 245 . 6 3 1 1 PYB HB1 H 1 6.428 0.001 . 1 . . . . A 104 PYB HB1 . 34157 1 246 . 6 3 1 1 PYB HB H 1 7.084 0.001 . 1 . . . . A 104 PYB HB . 34157 1 247 . 6 3 1 1 PYB HD1 H 1 3.542 0.001 . 1 . . . . A 104 PYB HD1 . 34157 1 248 . 7 4 1 1 ABU H H 1 8.230 0.001 . 1 . . . . A 105 ABU H . 34157 1 249 . 7 4 1 1 ABU HG1 H 1 2.173 0.001 . 2 . . . . A 105 ABU HG1 . 34157 1 250 . 7 4 1 1 ABU HG2 H 1 2.480 0.001 . 2 . . . . A 105 ABU HG2 . 34157 1 251 . 7 4 1 1 ABU HB1 H 1 1.555 0.001 . 2 . . . . A 105 ABU HB1 . 34157 1 252 . 7 4 1 1 ABU HB2 H 1 2.272 0.002 . 2 . . . . A 105 ABU HB2 . 34157 1 253 . 7 4 1 1 ABU HA2 H 1 2.769 0.001 . 2 . . . . A 105 ABU HA2 . 34157 1 254 . 7 4 1 1 ABU HA1 H 1 3.448 0.001 . 1 . . . . A 105 ABU HA1 . 34157 1 255 . 8 5 1 1 IMT H H 1 10.417 0.001 . 1 . . . . A 106 IMT H . 34157 1 256 . 8 5 1 1 IMT HB H 1 7.460 0.001 . 1 . . . . A 106 IMT HB . 34157 1 257 . 8 5 1 1 IMT HD1 H 1 3.947 0.001 . 1 . . . . A 106 IMT HD1 . 34157 1 258 . 9 3 1 1 PYB H H 1 9.769 0.002 . 1 . . . . A 107 PYB H . 34157 1 259 . 9 3 1 1 PYB HB1 H 1 6.170 0.001 . 1 . . . . A 107 PYB HB1 . 34157 1 260 . 9 3 1 1 PYB HB H 1 7.623 0.002 . 1 . . . . A 107 PYB HB . 34157 1 261 . 9 3 1 1 PYB HD1 H 1 3.871 0.002 . 1 . . . . A 107 PYB HD1 . 34157 1 262 . 10 3 1 1 PYB H H 1 10.677 0.001 . 1 . . . . A 108 PYB H . 34157 1 263 . 10 3 1 1 PYB HB1 H 1 6.363 0.002 . 1 . . . . A 108 PYB HB1 . 34157 1 264 . 10 3 1 1 PYB HB H 1 7.523 0.001 . 1 . . . . A 108 PYB HB . 34157 1 265 . 10 3 1 1 PYB HD1 H 1 3.775 0.001 . 1 . . . . A 108 PYB HD1 . 34157 1 266 . 11 3 1 1 PYB H H 1 9.270 0.001 . 1 . . . . A 109 PYB H . 34157 1 267 . 11 3 1 1 PYB HB1 H 1 6.307 0.002 . 1 . . . . A 109 PYB HB1 . 34157 1 268 . 11 3 1 1 PYB HB H 1 7.099 0.001 . 1 . . . . A 109 PYB HB . 34157 1 269 . 11 3 1 1 PYB HD1 H 1 3.543 0.001 . 1 . . . . A 109 PYB HD1 . 34157 1 270 . 12 6 1 1 9T8 H031 H 1 3.144 0.001 . 2 . . . . A 110 9T8 H031 . 34157 1 271 . 12 6 1 1 9T8 H032 H 1 3.170 0.001 . 2 . . . . A 110 9T8 H032 . 34157 1 272 . 12 6 1 1 9T8 H041 H 1 1.943 0.001 . 2 . . . . A 110 9T8 H041 . 34157 1 273 . 12 6 1 1 9T8 H042 H 1 2.137 0.002 . 2 . . . . A 110 9T8 H042 . 34157 1 274 . 12 6 1 1 9T8 H051 H 1 2.975 0.000 . 2 . . . . A 110 9T8 H051 . 34157 1 275 . 12 6 1 1 9T8 H052 H 1 3.612 0.001 . 2 . . . . A 110 9T8 H052 . 34157 1 276 . 12 6 1 1 9T8 H071 H 1 1.669 0.001 . 2 . . . . A 110 9T8 H071 . 34157 1 277 . 12 6 1 1 9T8 H072 H 1 2.078 0.001 . 2 . . . . A 110 9T8 H072 . 34157 1 278 . 12 6 1 1 9T8 H081 H 1 2.892 0.002 . 2 . . . . A 110 9T8 H081 . 34157 1 279 . 12 6 1 1 9T8 H082 H 1 3.779 0.000 . 2 . . . . A 110 9T8 H082 . 34157 1 280 . 12 6 1 1 9T8 HN02 H 1 8.135 0.001 . 1 . . . . A 110 9T8 HN02 . 34157 1 281 . 12 6 1 1 9T8 H1 H 1 9.156 0.002 . 1 . . . . A 110 9T8 H1 . 34157 1 stop_ save_ ################################### # 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_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 34157 _Assigned_chem_shift_list.ID 2 _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 DQF-COSY' . . . 34157 2 2 '2D 1H-1H TOCSY' . . . 34157 2 3 '2D 1H-13C HSQC' . . . 34157 2 4 '1H-31P COSY' . . . 34157 2 5 '2D 1H-1H NOESY' . . . 34157 2 6 '2D 1H-1H NOESY' . . . 34157 2 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 DCZ H1' H 1 5.757 0.000 . 1 . . . . A 1 DCZ H1' . 34157 2 2 . 1 1 1 1 DCZ H3' H 1 4.697 0.004 . 1 . . . . A 1 DCZ H3' . 34157 2 3 . 1 1 1 1 DCZ H4' H 1 4.055 0.000 . 1 . . . . A 1 DCZ H4' . 34157 2 4 . 1 1 1 1 DCZ H5 H 1 5.887 0.000 . 1 . . . . A 1 DCZ H5 . 34157 2 5 . 1 1 1 1 DCZ H6 H 1 7.580 0.000 . 1 . . . . A 1 DCZ H6 . 34157 2 6 . 1 1 1 1 DCZ C1' C 13 85.290 0.000 . 1 . . . . A 1 DCZ C1' . 34157 2 7 . 1 1 1 1 DCZ C3' C 13 75.631 0.000 . 1 . . . . A 1 DCZ C3' . 34157 2 8 . 1 1 1 1 DCZ C4' C 13 85.700 0.000 . 1 . . . . A 1 DCZ C4' . 34157 2 9 . 1 1 1 1 DCZ C5 C 13 96.833 0.000 . 1 . . . . A 1 DCZ C5 . 34157 2 10 . 1 1 1 1 DCZ C6 C 13 140.423 0.000 . 1 . . . . A 1 DCZ C6 . 34157 2 11 . 1 1 2 2 DG H1' H 1 5.435 0.000 . 1 . . . . A 2 DG H1' . 34157 2 12 . 1 1 2 2 DG H3' H 1 5.033 0.002 . 1 . . . . A 2 DG H3' . 34157 2 13 . 1 1 2 2 DG H4' H 1 4.318 0.000 . 1 . . . . A 2 DG H4' . 34157 2 14 . 1 1 2 2 DG H8 H 1 8.013 0.000 . 1 . . . . A 2 DG H8 . 34157 2 15 . 1 1 2 2 DG C1' C 13 81.437 0.000 . 1 . . . . A 2 DG C1' . 34157 2 16 . 1 1 2 2 DG C3' C 13 76.587 0.000 . 1 . . . . A 2 DG C3' . 34157 2 17 . 1 1 2 2 DG C4' C 13 84.721 0.000 . 1 . . . . A 2 DG C4' . 34157 2 18 . 1 1 2 2 DG C8 C 13 135.696 0.000 . 1 . . . . A 2 DG C8 . 34157 2 19 . 1 1 2 2 DG P P 31 -1.091 0.000 . 1 . . . . A 2 DG P . 34157 2 20 . 1 1 3 3 DA H1' H 1 6.345 0.000 . 1 . . . . A 3 DA H1' . 34157 2 21 . 1 1 3 3 DA H2 H 1 7.956 0.000 . 1 . . . . A 3 DA H2 . 34157 2 22 . 1 1 3 3 DA H3' H 1 5.124 0.001 . 1 . . . . A 3 DA H3' . 34157 2 23 . 1 1 3 3 DA H4' H 1 4.516 0.003 . 1 . . . . A 3 DA H4' . 34157 2 24 . 1 1 3 3 DA H8 H 1 8.424 0.000 . 1 . . . . A 3 DA H8 . 34157 2 25 . 1 1 3 3 DA C1' C 13 82.041 0.000 . 1 . . . . A 3 DA C1' . 34157 2 26 . 1 1 3 3 DA C2 C 13 152.069 0.000 . 1 . . . . A 3 DA C2 . 34157 2 27 . 1 1 3 3 DA C3' C 13 77.394 0.000 . 1 . . . . A 3 DA C3' . 34157 2 28 . 1 1 3 3 DA C4' C 13 85.141 0.000 . 1 . . . . A 3 DA C4' . 34157 2 29 . 1 1 3 3 DA C8 C 13 138.927 0.000 . 1 . . . . A 3 DA C8 . 34157 2 30 . 1 1 3 3 DA P P 31 -0.881 0.003 . 1 . . . . A 3 DA P . 34157 2 31 . 1 1 4 4 DT H1' H 1 5.724 0.000 . 1 . . . . A 4 DT H1' . 34157 2 32 . 1 1 4 4 DT H3' H 1 5.036 0.003 . 1 . . . . A 4 DT H3' . 34157 2 33 . 1 1 4 4 DT H4' H 1 4.253 0.000 . 1 . . . . A 4 DT H4' . 34157 2 34 . 1 1 4 4 DT H6 H 1 7.415 0.000 . 1 . . . . A 4 DT H6 . 34157 2 35 . 1 1 4 4 DT H71 H 1 1.554 0.000 . 1 . . . . A 4 DT H71 . 34157 2 36 . 1 1 4 4 DT H72 H 1 1.554 0.000 . 1 . . . . A 4 DT H72 . 34157 2 37 . 1 1 4 4 DT H73 H 1 1.554 0.000 . 1 . . . . A 4 DT H73 . 34157 2 38 . 1 1 4 4 DT C1' C 13 83.110 0.000 . 1 . . . . A 4 DT C1' . 34157 2 39 . 1 1 4 4 DT C3' C 13 75.633 0.000 . 1 . . . . A 4 DT C3' . 34157 2 40 . 1 1 4 4 DT C4' C 13 84.942 0.000 . 1 . . . . A 4 DT C4' . 34157 2 41 . 1 1 4 4 DT C6 C 13 136.274 0.000 . 1 . . . . A 4 DT C6 . 34157 2 42 . 1 1 4 4 DT C7 C 13 11.421 0.000 . 1 . . . . A 4 DT C7 . 34157 2 43 . 1 1 4 4 DT P P 31 -1.478 0.000 . 1 . . . . A 4 DT P . 34157 2 44 . 1 1 5 5 DG H1' H 1 5.861 0.000 . 1 . . . . A 5 DG H1' . 34157 2 45 . 1 1 5 5 DG H3' H 1 5.024 0.000 . 1 . . . . A 5 DG H3' . 34157 2 46 . 1 1 5 5 DG H8 H 1 7.989 0.000 . 1 . . . . A 5 DG H8 . 34157 2 47 . 1 1 5 5 DG C1' C 13 82.602 0.000 . 1 . . . . A 5 DG C1' . 34157 2 48 . 1 1 5 5 DG C3' C 13 78.539 0.000 . 1 . . . . A 5 DG C3' . 34157 2 49 . 1 1 5 5 DG C8 C 13 135.741 0.000 . 1 . . . . A 5 DG C8 . 34157 2 50 . 1 1 5 5 DG P P 31 -0.477 0.000 . 1 . . . . A 5 DG P . 34157 2 51 . 1 1 6 6 DT H1' H 1 4.899 0.000 . 1 . . . . A 6 DT H1' . 34157 2 52 . 1 1 6 6 DT H3' H 1 4.564 0.000 . 1 . . . . A 6 DT H3' . 34157 2 53 . 1 1 6 6 DT H4' H 1 2.609 0.000 . 1 . . . . A 6 DT H4' . 34157 2 54 . 1 1 6 6 DT H71 H 1 1.347 0.000 . 1 . . . . A 6 DT H71 . 34157 2 55 . 1 1 6 6 DT H72 H 1 1.347 0.000 . 1 . . . . A 6 DT H72 . 34157 2 56 . 1 1 6 6 DT H73 H 1 1.347 0.000 . 1 . . . . A 6 DT H73 . 34157 2 57 . 1 1 6 6 DT C1' C 13 82.323 0.000 . 1 . . . . A 6 DT C1' . 34157 2 58 . 1 1 6 6 DT C3' C 13 74.192 0.000 . 1 . . . . A 6 DT C3' . 34157 2 59 . 1 1 6 6 DT C4' C 13 82.660 0.000 . 1 . . . . A 6 DT C4' . 34157 2 60 . 1 1 6 6 DT C7 C 13 11.840 0.000 . 1 . . . . A 6 DT C7 . 34157 2 61 . 1 1 6 6 DT P P 31 -1.630 0.000 . 1 . . . . A 6 DT P . 34157 2 62 . 1 1 7 7 DA H1' H 1 5.513 0.000 . 1 . . . . A 7 DA H1' . 34157 2 63 . 1 1 7 7 DA H2 H 1 8.050 0.000 . 1 . . . . A 7 DA H2 . 34157 2 64 . 1 1 7 7 DA H4' H 1 2.836 0.004 . 1 . . . . A 7 DA H4' . 34157 2 65 . 1 1 7 7 DA H8 H 1 8.112 0.000 . 1 . . . . A 7 DA H8 . 34157 2 66 . 1 1 7 7 DA C2 C 13 152.096 0.000 . 1 . . . . A 7 DA C2 . 34157 2 67 . 1 1 7 7 DA C4' C 13 83.112 0.000 . 1 . . . . A 7 DA C4' . 34157 2 68 . 1 1 7 7 DA C8 C 13 139.957 0.000 . 1 . . . . A 7 DA C8 . 34157 2 69 . 1 1 7 7 DA P P 31 -1.640 0.000 . 1 . . . . A 7 DA P . 34157 2 70 . 1 1 8 8 DC H1' H 1 5.305 0.000 . 1 . . . . A 8 DC H1' . 34157 2 71 . 1 1 8 8 DC H3' H 1 4.538 0.000 . 1 . . . . A 8 DC H3' . 34157 2 72 . 1 1 8 8 DC H4' H 1 2.190 0.003 . 1 . . . . A 8 DC H4' . 34157 2 73 . 1 1 8 8 DC H5 H 1 5.272 0.000 . 1 . . . . A 8 DC H5 . 34157 2 74 . 1 1 8 8 DC H6 H 1 6.874 0.000 . 1 . . . . A 8 DC H6 . 34157 2 75 . 1 1 8 8 DC C1' C 13 81.684 0.000 . 1 . . . . A 8 DC C1' . 34157 2 76 . 1 1 8 8 DC C3' C 13 73.021 0.000 . 1 . . . . A 8 DC C3' . 34157 2 77 . 1 1 8 8 DC C4' C 13 80.767 0.000 . 1 . . . . A 8 DC C4' . 34157 2 78 . 1 1 8 8 DC C5 C 13 96.283 0.000 . 1 . . . . A 8 DC C5 . 34157 2 79 . 1 1 8 8 DC C6 C 13 139.920 0.000 . 1 . . . . A 8 DC C6 . 34157 2 80 . 1 1 8 8 DC P P 31 -1.864 0.000 . 1 . . . . A 8 DC P . 34157 2 81 . 1 1 9 9 DA H1' H 1 5.562 0.000 . 1 . . . . A 9 DA H1' . 34157 2 82 . 1 1 9 9 DA H2 H 1 7.732 0.000 . 1 . . . . A 9 DA H2 . 34157 2 83 . 1 1 9 9 DA H3' H 1 4.650 0.000 . 1 . . . . A 9 DA H3' . 34157 2 84 . 1 1 9 9 DA H4' H 1 2.649 0.004 . 1 . . . . A 9 DA H4' . 34157 2 85 . 1 1 9 9 DA H8 H 1 8.289 0.000 . 1 . . . . A 9 DA H8 . 34157 2 86 . 1 1 9 9 DA C1' C 13 80.548 0.000 . 1 . . . . A 9 DA C1' . 34157 2 87 . 1 1 9 9 DA C2 C 13 151.538 0.000 . 1 . . . . A 9 DA C2 . 34157 2 88 . 1 1 9 9 DA C3' C 13 74.217 0.000 . 1 . . . . A 9 DA C3' . 34157 2 89 . 1 1 9 9 DA C4' C 13 82.415 0.000 . 1 . . . . A 9 DA C4' . 34157 2 90 . 1 1 9 9 DA C8 C 13 139.657 0.000 . 1 . . . . A 9 DA C8 . 34157 2 91 . 1 1 9 9 DA P P 31 -1.955 0.000 . 1 . . . . A 9 DA P . 34157 2 92 . 1 1 10 10 DT H1' H 1 5.680 0.000 . 1 . . . . A 10 DT H1' . 34157 2 93 . 1 1 10 10 DT H3' H 1 4.765 0.000 . 1 . . . . A 10 DT H3' . 34157 2 94 . 1 1 10 10 DT H4' H 1 3.898 0.000 . 1 . . . . A 10 DT H4' . 34157 2 95 . 1 1 10 10 DT H6 H 1 6.961 0.000 . 1 . . . . A 10 DT H6 . 34157 2 96 . 1 1 10 10 DT H71 H 1 1.436 0.000 . 1 . . . . A 10 DT H71 . 34157 2 97 . 1 1 10 10 DT H72 H 1 1.436 0.000 . 1 . . . . A 10 DT H72 . 34157 2 98 . 1 1 10 10 DT H73 H 1 1.436 0.000 . 1 . . . . A 10 DT H73 . 34157 2 99 . 1 1 10 10 DT C1' C 13 81.437 0.000 . 1 . . . . A 10 DT C1' . 34157 2 100 . 1 1 10 10 DT C3' C 13 73.711 0.000 . 1 . . . . A 10 DT C3' . 34157 2 101 . 1 1 10 10 DT C4' C 13 81.743 0.000 . 1 . . . . A 10 DT C4' . 34157 2 102 . 1 1 10 10 DT C6 C 13 135.869 0.000 . 1 . . . . A 10 DT C6 . 34157 2 103 . 1 1 10 10 DT C7 C 13 11.357 0.000 . 1 . . . . A 10 DT C7 . 34157 2 104 . 1 1 10 10 DT P P 31 -1.853 0.000 . 1 . . . . A 10 DT P . 34157 2 105 . 1 1 11 11 DC H1' H 1 5.732 0.000 . 1 . . . . A 11 DC H1' . 34157 2 106 . 1 1 11 11 DC H3' H 1 4.812 0.000 . 1 . . . . A 11 DC H3' . 34157 2 107 . 1 1 11 11 DC H4' H 1 4.106 0.001 . 1 . . . . A 11 DC H4' . 34157 2 108 . 1 1 11 11 DC H5 H 1 5.605 0.000 . 1 . . . . A 11 DC H5 . 34157 2 109 . 1 1 11 11 DC H6 H 1 7.403 0.000 . 1 . . . . A 11 DC H6 . 34157 2 110 . 1 1 11 11 DC C1' C 13 83.564 0.000 . 1 . . . . A 11 DC C1' . 34157 2 111 . 1 1 11 11 DC C3' C 13 73.968 0.000 . 1 . . . . A 11 DC C3' . 34157 2 112 . 1 1 11 11 DC C4' C 13 82.792 0.000 . 1 . . . . A 11 DC C4' . 34157 2 113 . 1 1 11 11 DC C5 C 13 96.016 0.000 . 1 . . . . A 11 DC C5 . 34157 2 114 . 1 1 11 11 DC C6 C 13 141.068 0.000 . 1 . . . . A 11 DC C6 . 34157 2 115 . 1 1 11 11 DC P P 31 -0.968 0.000 . 1 . . . . A 11 DC P . 34157 2 116 . 1 1 12 12 DG H1' H 1 6.140 0.000 . 1 . . . . A 12 DG H1' . 34157 2 117 . 1 1 12 12 DG H3' H 1 4.671 0.000 . 1 . . . . A 12 DG H3' . 34157 2 118 . 1 1 12 12 DG H4' H 1 4.175 0.003 . 1 . . . . A 12 DG H4' . 34157 2 119 . 1 1 12 12 DG H8 H 1 7.925 0.000 . 1 . . . . A 12 DG H8 . 34157 2 120 . 1 1 12 12 DG C1' C 13 82.070 0.000 . 1 . . . . A 12 DG C1' . 34157 2 121 . 1 1 12 12 DG C3' C 13 70.822 0.000 . 1 . . . . A 12 DG C3' . 34157 2 122 . 1 1 12 12 DG C4' C 13 85.325 0.000 . 1 . . . . A 12 DG C4' . 34157 2 123 . 1 1 12 12 DG C8 C 13 136.612 0.000 . 1 . . . . A 12 DG C8 . 34157 2 124 . 1 1 12 12 DG P P 31 -0.961 0.000 . 1 . . . . A 12 DG P . 34157 2 125 . 2 1 1 1 DCZ H1' H 1 5.740 0.000 . 1 . . . . B 13 DCZ H1' . 34157 2 126 . 2 1 1 1 DCZ H3' H 1 4.715 0.001 . 1 . . . . B 13 DCZ H3' . 34157 2 127 . 2 1 1 1 DCZ H4' H 1 4.067 0.000 . 1 . . . . B 13 DCZ H4' . 34157 2 128 . 2 1 1 1 DCZ H5 H 1 5.852 0.000 . 1 . . . . B 13 DCZ H5 . 34157 2 129 . 2 1 1 1 DCZ H6 H 1 7.637 0.000 . 1 . . . . B 13 DCZ H6 . 34157 2 130 . 2 1 1 1 DCZ C1' C 13 85.304 0.000 . 1 . . . . B 13 DCZ C1' . 34157 2 131 . 2 1 1 1 DCZ C3' C 13 75.078 0.000 . 1 . . . . B 13 DCZ C3' . 34157 2 132 . 2 1 1 1 DCZ C4' C 13 85.479 0.000 . 1 . . . . B 13 DCZ C4' . 34157 2 133 . 2 1 1 1 DCZ C5 C 13 96.925 0.000 . 1 . . . . B 13 DCZ C5 . 34157 2 134 . 2 1 1 1 DCZ C6 C 13 140.475 0.000 . 1 . . . . B 13 DCZ C6 . 34157 2 135 . 2 1 2 2 DG H3' H 1 5.044 0.002 . 1 . . . . B 14 DG H3' . 34157 2 136 . 2 1 2 2 DG H4' H 1 4.363 0.000 . 1 . . . . B 14 DG H4' . 34157 2 137 . 2 1 2 2 DG H8 H 1 7.995 0.000 . 1 . . . . B 14 DG H8 . 34157 2 138 . 2 1 2 2 DG C3' C 13 77.237 0.000 . 1 . . . . B 14 DG C3' . 34157 2 139 . 2 1 2 2 DG C4' C 13 84.706 0.000 . 1 . . . . B 14 DG C4' . 34157 2 140 . 2 1 2 2 DG C8 C 13 136.169 0.000 . 1 . . . . B 14 DG C8 . 34157 2 141 . 2 1 2 2 DG P P 31 -1.107 0.000 . 1 . . . . B 14 DG P . 34157 2 142 . 2 1 3 3 DA H1' H 1 6.319 0.000 . 1 . . . . B 15 DA H1' . 34157 2 143 . 2 1 3 3 DA H2 H 1 7.885 0.000 . 1 . . . . B 15 DA H2 . 34157 2 144 . 2 1 3 3 DA H3' H 1 5.100 0.002 . 1 . . . . B 15 DA H3' . 34157 2 145 . 2 1 3 3 DA H4' H 1 4.500 0.004 . 1 . . . . B 15 DA H4' . 34157 2 146 . 2 1 3 3 DA H8 H 1 8.314 0.000 . 1 . . . . B 15 DA H8 . 34157 2 147 . 2 1 3 3 DA C1' C 13 82.254 0.000 . 1 . . . . B 15 DA C1' . 34157 2 148 . 2 1 3 3 DA C2 C 13 152.412 0.000 . 1 . . . . B 15 DA C2 . 34157 2 149 . 2 1 3 3 DA C3' C 13 77.116 0.000 . 1 . . . . B 15 DA C3' . 34157 2 150 . 2 1 3 3 DA C4' C 13 84.883 0.000 . 1 . . . . B 15 DA C4' . 34157 2 151 . 2 1 3 3 DA C8 C 13 138.691 0.000 . 1 . . . . B 15 DA C8 . 34157 2 152 . 2 1 3 3 DA P P 31 -1.179 0.002 . 1 . . . . B 15 DA P . 34157 2 153 . 2 1 4 4 DT H1' H 1 5.610 0.000 . 1 . . . . B 16 DT H1' . 34157 2 154 . 2 1 4 4 DT H3' H 1 4.920 0.003 . 1 . . . . B 16 DT H3' . 34157 2 155 . 2 1 4 4 DT H4' H 1 4.130 0.000 . 1 . . . . B 16 DT H4' . 34157 2 156 . 2 1 4 4 DT H6 H 1 7.269 0.000 . 1 . . . . B 16 DT H6 . 34157 2 157 . 2 1 4 4 DT H71 H 1 1.519 0.000 . 1 . . . . B 16 DT H71 . 34157 2 158 . 2 1 4 4 DT H72 H 1 1.519 0.000 . 1 . . . . B 16 DT H72 . 34157 2 159 . 2 1 4 4 DT H73 H 1 1.519 0.000 . 1 . . . . B 16 DT H73 . 34157 2 160 . 2 1 4 4 DT C1' C 13 82.438 0.000 . 1 . . . . B 16 DT C1' . 34157 2 161 . 2 1 4 4 DT C3' C 13 73.201 0.000 . 1 . . . . B 16 DT C3' . 34157 2 162 . 2 1 4 4 DT C4' C 13 82.232 0.000 . 1 . . . . B 16 DT C4' . 34157 2 163 . 2 1 4 4 DT C6 C 13 136.176 0.000 . 1 . . . . B 16 DT C6 . 34157 2 164 . 2 1 4 4 DT C7 C 13 11.468 0.000 . 1 . . . . B 16 DT C7 . 34157 2 165 . 2 1 4 4 DT P P 31 -1.348 0.000 . 1 . . . . B 16 DT P . 34157 2 166 . 2 1 5 5 DG H1' H 1 5.782 0.000 . 1 . . . . B 17 DG H1' . 34157 2 167 . 2 1 5 5 DG H3' H 1 4.993 0.003 . 1 . . . . B 17 DG H3' . 34157 2 168 . 2 1 5 5 DG H4' H 1 4.259 0.000 . 1 . . . . B 17 DG H4' . 34157 2 169 . 2 1 5 5 DG H8 H 1 8.002 0.000 . 1 . . . . B 17 DG H8 . 34157 2 170 . 2 1 5 5 DG C1' C 13 82.641 0.000 . 1 . . . . B 17 DG C1' . 34157 2 171 . 2 1 5 5 DG C3' C 13 78.270 0.000 . 1 . . . . B 17 DG C3' . 34157 2 172 . 2 1 5 5 DG C4' C 13 82.895 0.000 . 1 . . . . B 17 DG C4' . 34157 2 173 . 2 1 5 5 DG C8 C 13 137.084 0.000 . 1 . . . . B 17 DG C8 . 34157 2 174 . 2 1 5 5 DG P P 31 -0.482 0.000 . 1 . . . . B 17 DG P . 34157 2 175 . 2 1 6 6 DT H1' H 1 5.192 0.000 . 1 . . . . B 18 DT H1' . 34157 2 176 . 2 1 6 6 DT H3' H 1 4.622 0.000 . 1 . . . . B 18 DT H3' . 34157 2 177 . 2 1 6 6 DT H4' H 1 2.054 0.000 . 1 . . . . B 18 DT H4' . 34157 2 178 . 2 1 6 6 DT H6 H 1 6.974 0.000 . 1 . . . . B 18 DT H6 . 34157 2 179 . 2 1 6 6 DT H71 H 1 1.442 0.000 . 1 . . . . B 18 DT H71 . 34157 2 180 . 2 1 6 6 DT H72 H 1 1.442 0.000 . 1 . . . . B 18 DT H72 . 34157 2 181 . 2 1 6 6 DT H73 H 1 1.442 0.000 . 1 . . . . B 18 DT H73 . 34157 2 182 . 2 1 6 6 DT C1' C 13 81.983 0.000 . 1 . . . . B 18 DT C1' . 34157 2 183 . 2 1 6 6 DT C3' C 13 74.011 0.000 . 1 . . . . B 18 DT C3' . 34157 2 184 . 2 1 6 6 DT C4' C 13 81.474 0.000 . 1 . . . . B 18 DT C4' . 34157 2 185 . 2 1 6 6 DT C6 C 13 136.401 0.000 . 1 . . . . B 18 DT C6 . 34157 2 186 . 2 1 6 6 DT C7 C 13 12.216 0.000 . 1 . . . . B 18 DT C7 . 34157 2 187 . 2 1 6 6 DT P P 31 -1.547 0.000 . 1 . . . . B 18 DT P . 34157 2 188 . 2 1 7 7 DA H1' H 1 5.505 0.000 . 1 . . . . B 19 DA H1' . 34157 2 189 . 2 1 7 7 DA H2 H 1 8.026 0.000 . 1 . . . . B 19 DA H2 . 34157 2 190 . 2 1 7 7 DA H4' H 1 2.585 0.000 . 1 . . . . B 19 DA H4' . 34157 2 191 . 2 1 7 7 DA H8 H 1 8.137 0.000 . 1 . . . . B 19 DA H8 . 34157 2 192 . 2 1 7 7 DA C1' C 13 81.060 0.000 . 1 . . . . B 19 DA C1' . 34157 2 193 . 2 1 7 7 DA C2 C 13 152.540 0.000 . 1 . . . . B 19 DA C2 . 34157 2 194 . 2 1 7 7 DA C4' C 13 82.300 0.000 . 1 . . . . B 19 DA C4' . 34157 2 195 . 2 1 7 7 DA C8 C 13 139.800 0.000 . 1 . . . . B 19 DA C8 . 34157 2 196 . 2 1 7 7 DA P P 31 -1.636 0.000 . 1 . . . . B 19 DA P . 34157 2 197 . 2 1 8 8 DC H1' H 1 5.334 0.000 . 1 . . . . B 20 DC H1' . 34157 2 198 . 2 1 8 8 DC H3' H 1 4.549 0.000 . 1 . . . . B 20 DC H3' . 34157 2 199 . 2 1 8 8 DC H4' H 1 2.330 0.004 . 1 . . . . B 20 DC H4' . 34157 2 200 . 2 1 8 8 DC H5 H 1 5.311 0.000 . 1 . . . . B 20 DC H5 . 34157 2 201 . 2 1 8 8 DC H6 H 1 6.913 0.000 . 1 . . . . B 20 DC H6 . 34157 2 202 . 2 1 8 8 DC C1' C 13 81.616 0.000 . 1 . . . . B 20 DC C1' . 34157 2 203 . 2 1 8 8 DC C3' C 13 72.993 0.000 . 1 . . . . B 20 DC C3' . 34157 2 204 . 2 1 8 8 DC C4' C 13 80.960 0.000 . 1 . . . . B 20 DC C4' . 34157 2 205 . 2 1 8 8 DC C5 C 13 96.349 0.000 . 1 . . . . B 20 DC C5 . 34157 2 206 . 2 1 8 8 DC C6 C 13 139.845 0.000 . 1 . . . . B 20 DC C6 . 34157 2 207 . 2 1 8 8 DC P P 31 -1.985 0.000 . 1 . . . . B 20 DC P . 34157 2 208 . 2 1 9 9 DA H1' H 1 5.472 0.000 . 1 . . . . B 21 DA H1' . 34157 2 209 . 2 1 9 9 DA H2 H 1 7.708 0.000 . 1 . . . . B 21 DA H2 . 34157 2 210 . 2 1 9 9 DA H3' H 1 4.640 0.000 . 1 . . . . B 21 DA H3' . 34157 2 211 . 2 1 9 9 DA H4' H 1 2.885 0.001 . 1 . . . . B 21 DA H4' . 34157 2 212 . 2 1 9 9 DA H8 H 1 8.299 0.000 . 1 . . . . B 21 DA H8 . 34157 2 213 . 2 1 9 9 DA C1' C 13 80.669 0.000 . 1 . . . . B 21 DA C1' . 34157 2 214 . 2 1 9 9 DA C2 C 13 150.938 0.000 . 1 . . . . B 21 DA C2 . 34157 2 215 . 2 1 9 9 DA C3' C 13 74.573 0.000 . 1 . . . . B 21 DA C3' . 34157 2 216 . 2 1 9 9 DA C4' C 13 82.586 0.000 . 1 . . . . B 21 DA C4' . 34157 2 217 . 2 1 9 9 DA C8 C 13 139.492 0.000 . 1 . . . . B 21 DA C8 . 34157 2 218 . 2 1 9 9 DA P P 31 -1.963 0.000 . 1 . . . . B 21 DA P . 34157 2 219 . 2 1 10 10 DT H1' H 1 5.718 0.000 . 1 . . . . B 22 DT H1' . 34157 2 220 . 2 1 10 10 DT H3' H 1 4.757 0.001 . 1 . . . . B 22 DT H3' . 34157 2 221 . 2 1 10 10 DT H4' H 1 3.738 0.004 . 1 . . . . B 22 DT H4' . 34157 2 222 . 2 1 10 10 DT H71 H 1 1.357 0.000 . 1 . . . . B 22 DT H71 . 34157 2 223 . 2 1 10 10 DT H72 H 1 1.357 0.000 . 1 . . . . B 22 DT H72 . 34157 2 224 . 2 1 10 10 DT H73 H 1 1.357 0.000 . 1 . . . . B 22 DT H73 . 34157 2 225 . 2 1 10 10 DT C1' C 13 81.476 0.000 . 1 . . . . B 22 DT C1' . 34157 2 226 . 2 1 10 10 DT C3' C 13 73.110 0.000 . 1 . . . . B 22 DT C3' . 34157 2 227 . 2 1 10 10 DT C4' C 13 82.069 0.000 . 1 . . . . B 22 DT C4' . 34157 2 228 . 2 1 10 10 DT C7 C 13 11.323 0.000 . 1 . . . . B 22 DT C7 . 34157 2 229 . 2 1 10 10 DT P P 31 -2.085 0.000 . 1 . . . . B 22 DT P . 34157 2 230 . 2 1 11 11 DC H1' H 1 5.484 0.000 . 1 . . . . B 23 DC H1' . 34157 2 231 . 2 1 11 11 DC H3' H 1 4.788 0.000 . 1 . . . . B 23 DC H3' . 34157 2 232 . 2 1 11 11 DC H4' H 1 4.114 0.000 . 1 . . . . B 23 DC H4' . 34157 2 233 . 2 1 11 11 DC H5 H 1 5.638 0.000 . 1 . . . . B 23 DC H5 . 34157 2 234 . 2 1 11 11 DC H6 H 1 7.459 0.000 . 1 . . . . B 23 DC H6 . 34157 2 235 . 2 1 11 11 DC C1' C 13 84.106 0.000 . 1 . . . . B 23 DC C1' . 34157 2 236 . 2 1 11 11 DC C3' C 13 75.137 0.000 . 1 . . . . B 23 DC C3' . 34157 2 237 . 2 1 11 11 DC C4' C 13 83.447 0.000 . 1 . . . . B 23 DC C4' . 34157 2 238 . 2 1 11 11 DC C5 C 13 96.172 0.000 . 1 . . . . B 23 DC C5 . 34157 2 239 . 2 1 11 11 DC C6 C 13 141.165 0.000 . 1 . . . . B 23 DC C6 . 34157 2 240 . 2 1 11 11 DC P P 31 -1.189 0.000 . 1 . . . . B 23 DC P . 34157 2 241 . 2 1 12 12 DG H1' H 1 6.165 0.000 . 1 . . . . B 24 DG H1' . 34157 2 242 . 2 1 12 12 DG H3' H 1 4.661 0.000 . 1 . . . . B 24 DG H3' . 34157 2 243 . 2 1 12 12 DG H4' H 1 4.162 0.000 . 1 . . . . B 24 DG H4' . 34157 2 244 . 2 1 12 12 DG H8 H 1 7.940 0.000 . 1 . . . . B 24 DG H8 . 34157 2 245 . 2 1 12 12 DG C1' C 13 82.249 0.000 . 1 . . . . B 24 DG C1' . 34157 2 246 . 2 1 12 12 DG C3' C 13 70.823 0.000 . 1 . . . . B 24 DG C3' . 34157 2 247 . 2 1 12 12 DG C4' C 13 85.332 0.000 . 1 . . . . B 24 DG C4' . 34157 2 248 . 2 1 12 12 DG C8 C 13 136.477 0.000 . 1 . . . . B 24 DG C8 . 34157 2 249 . 2 1 12 12 DG P P 31 -0.519 0.000 . 1 . . . . B 24 DG P . 34157 2 250 . 3 2 1 1 9T5 H83 H 1 8.974 0.000 . 1 . . . . A 101 9T5 H83 . 34157 2 251 . 3 2 1 1 9T5 H881 H 1 2.773 0.000 . 1 . . . . A 101 9T5 H881 . 34157 2 252 . 3 2 1 1 9T5 C83 C 13 152.473 0.000 . 1 . . . . A 101 9T5 C83 . 34157 2 253 . 3 2 1 1 9T5 CM8 C 13 12.444 0.000 . 1 . . . . A 101 9T5 CM8 . 34157 2 254 . 4 3 1 1 PYB HB1 H 1 5.995 0.000 . 1 . . . . A 102 PYB HB1 . 34157 2 255 . 4 3 1 1 PYB HB H 1 7.634 0.000 . 1 . . . . A 102 PYB HB . 34157 2 256 . 4 3 1 1 PYB HD1 H 1 3.919 0.000 . 1 . . . . A 102 PYB HD1 . 34157 2 257 . 4 3 1 1 PYB CB1 C 13 104.324 0.000 . 1 . . . . A 102 PYB CB1 . 34157 2 258 . 4 3 1 1 PYB CB C 13 121.067 0.000 . 1 . . . . A 102 PYB CB . 34157 2 259 . 4 3 1 1 PYB CD C 13 37.643 0.000 . 1 . . . . A 102 PYB CD . 34157 2 260 . 5 3 1 1 PYB HB1 H 1 6.242 0.000 . 1 . . . . A 103 PYB HB1 . 34157 2 261 . 5 3 1 1 PYB HB H 1 7.607 0.000 . 1 . . . . A 103 PYB HB . 34157 2 262 . 5 3 1 1 PYB CB1 C 13 102.787 0.000 . 1 . . . . A 103 PYB CB1 . 34157 2 263 . 5 3 1 1 PYB CB C 13 121.802 0.000 . 1 . . . . A 103 PYB CB . 34157 2 264 . 6 3 1 1 PYB HB1 H 1 6.434 0.000 . 1 . . . . A 104 PYB HB1 . 34157 2 265 . 6 3 1 1 PYB HB H 1 7.086 0.000 . 1 . . . . A 104 PYB HB . 34157 2 266 . 6 3 1 1 PYB HD1 H 1 3.540 0.000 . 1 . . . . A 104 PYB HD1 . 34157 2 267 . 6 3 1 1 PYB CB1 C 13 105.328 0.000 . 1 . . . . A 104 PYB CB1 . 34157 2 268 . 6 3 1 1 PYB CB C 13 119.101 0.000 . 1 . . . . A 104 PYB CB . 34157 2 269 . 6 3 1 1 PYB CD C 13 36.172 0.000 . 1 . . . . A 104 PYB CD . 34157 2 270 . 7 4 1 1 ABU HB1 H 1 1.556 0.000 . 1 . . . . A 105 ABU HB1 . 34157 2 271 . 7 4 1 1 ABU HB2 H 1 2.271 0.000 . 1 . . . . A 105 ABU HB2 . 34157 2 272 . 7 4 1 1 ABU CB C 13 24.964 0.017 . 1 . . . . A 105 ABU CB . 34157 2 273 . 8 5 1 1 IMT HB H 1 7.464 0.000 . 1 . . . . A 106 IMT HB . 34157 2 274 . 8 5 1 1 IMT HD1 H 1 3.948 0.000 . 1 . . . . A 106 IMT HD1 . 34157 2 275 . 8 5 1 1 IMT CB C 13 114.128 0.000 . 1 . . . . A 106 IMT CB . 34157 2 276 . 8 5 1 1 IMT CD C 13 36.416 0.000 . 1 . . . . A 106 IMT CD . 34157 2 277 . 9 3 1 1 PYB HB1 H 1 6.172 0.000 . 1 . . . . A 107 PYB HB1 . 34157 2 278 . 9 3 1 1 PYB HB H 1 7.626 0.000 . 1 . . . . A 107 PYB HB . 34157 2 279 . 9 3 1 1 PYB HD1 H 1 3.875 0.000 . 1 . . . . A 107 PYB HD1 . 34157 2 280 . 9 3 1 1 PYB CB1 C 13 104.420 0.000 . 1 . . . . A 107 PYB CB1 . 34157 2 281 . 9 3 1 1 PYB CB C 13 122.128 0.000 . 1 . . . . A 107 PYB CB . 34157 2 282 . 9 3 1 1 PYB CD C 13 37.827 0.000 . 1 . . . . A 107 PYB CD . 34157 2 283 . 10 3 1 1 PYB HB1 H 1 6.366 0.000 . 1 . . . . A 108 PYB HB1 . 34157 2 284 . 10 3 1 1 PYB HB H 1 7.526 0.000 . 1 . . . . A 108 PYB HB . 34157 2 285 . 10 3 1 1 PYB HD1 H 1 3.779 0.000 . 1 . . . . A 108 PYB HD1 . 34157 2 286 . 10 3 1 1 PYB CB1 C 13 102.733 0.000 . 1 . . . . A 108 PYB CB1 . 34157 2 287 . 10 3 1 1 PYB CB C 13 121.938 0.000 . 1 . . . . A 108 PYB CB . 34157 2 288 . 10 3 1 1 PYB CD C 13 37.248 0.000 . 1 . . . . A 108 PYB CD . 34157 2 289 . 11 3 1 1 PYB HB1 H 1 6.309 0.000 . 1 . . . . A 109 PYB HB1 . 34157 2 290 . 11 3 1 1 PYB HB H 1 7.102 0.000 . 1 . . . . A 109 PYB HB . 34157 2 291 . 11 3 1 1 PYB HD1 H 1 3.545 0.000 . 1 . . . . A 109 PYB HD1 . 34157 2 292 . 11 3 1 1 PYB CB1 C 13 106.432 0.000 . 1 . . . . A 109 PYB CB1 . 34157 2 293 . 11 3 1 1 PYB CB C 13 120.230 0.000 . 1 . . . . A 109 PYB CB . 34157 2 294 . 11 3 1 1 PYB CD C 13 36.291 0.000 . 1 . . . . A 109 PYB CD . 34157 2 295 . 12 6 1 1 9T8 H031 H 1 3.141 0.000 . 1 . . . . A 110 9T8 H031 . 34157 2 296 . 12 6 1 1 9T8 H032 H 1 3.171 0.000 . 1 . . . . A 110 9T8 H032 . 34157 2 297 . 12 6 1 1 9T8 H041 H 1 1.942 0.000 . 1 . . . . A 110 9T8 H041 . 34157 2 298 . 12 6 1 1 9T8 H042 H 1 2.144 0.000 . 1 . . . . A 110 9T8 H042 . 34157 2 299 . 12 6 1 1 9T8 C03 C 13 55.376 0.009 . 1 . . . . A 110 9T8 C03 . 34157 2 300 . 12 6 1 1 9T8 C04 C 13 24.155 0.000 . 1 . . . . A 110 9T8 C04 . 34157 2 stop_ save_