################################### # 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 34159 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H NOESY' . . . 34159 1 2 '2D 1H-1H NOESY' . . . 34159 1 3 '2D DQF-COSY' . . . 34159 1 4 '2D 1H-1H TOCSY' . . . 34159 1 5 '2D 1H-13C HSQC' . . . 34159 1 6 '2D 1H-31P COSY' . . . 34159 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 5.764 0.001 . 1 . . . . A 1 DCZ H1' . 34159 1 2 . 1 1 1 1 DCZ H2'1 H 1 1.857 0.001 . 1 . . . . A 1 DCZ H2'1 . 34159 1 3 . 1 1 1 1 DCZ H2'2 H 1 2.368 0.002 . 1 . . . . A 1 DCZ H2'2 . 34159 1 4 . 1 1 1 1 DCZ H3' H 1 4.709 0.001 . 1 . . . . A 1 DCZ H3' . 34159 1 5 . 1 1 1 1 DCZ H4' H 1 4.064 0.001 . 1 . . . . A 1 DCZ H4' . 34159 1 6 . 1 1 1 1 DCZ H5 H 1 5.877 0.001 . 1 . . . . A 1 DCZ H5 . 34159 1 7 . 1 1 1 1 DCZ H5'1 H 1 3.709 0.001 . 2 . . . . A 1 DCZ H5'1 . 34159 1 8 . 1 1 1 1 DCZ H6 H 1 7.584 0.002 . 1 . . . . A 1 DCZ H6 . 34159 1 9 . 1 1 2 2 DG H1 H 1 12.883 0.002 . 1 . . . . A 2 DG H1 . 34159 1 10 . 1 1 2 2 DG H1' H 1 5.430 0.002 . 1 . . . . A 2 DG H1' . 34159 1 11 . 1 1 2 2 DG H2' H 1 2.769 0.001 . 1 . . . . A 2 DG H2' . 34159 1 12 . 1 1 2 2 DG H2'' H 1 2.857 0.002 . 1 . . . . A 2 DG H2'' . 34159 1 13 . 1 1 2 2 DG H3' H 1 5.033 0.001 . 1 . . . . A 2 DG H3' . 34159 1 14 . 1 1 2 2 DG H4' H 1 4.320 0.001 . 1 . . . . A 2 DG H4' . 34159 1 15 . 1 1 2 2 DG H5' H 1 3.979 0.000 . 2 . . . . A 2 DG H5' . 34159 1 16 . 1 1 2 2 DG H5'' H 1 4.095 0.001 . 2 . . . . A 2 DG H5'' . 34159 1 17 . 1 1 2 2 DG H8 H 1 8.019 0.001 . 1 . . . . A 2 DG H8 . 34159 1 18 . 1 1 3 3 DA H1' H 1 6.350 0.001 . 1 . . . . A 3 DA H1' . 34159 1 19 . 1 1 3 3 DA H2 H 1 7.963 0.000 . 1 . . . . A 3 DA H2 . 34159 1 20 . 1 1 3 3 DA H2' H 1 2.830 0.001 . 1 . . . . A 3 DA H2' . 34159 1 21 . 1 1 3 3 DA H2'' H 1 3.006 0.001 . 1 . . . . A 3 DA H2'' . 34159 1 22 . 1 1 3 3 DA H3' H 1 5.129 0.002 . 1 . . . . A 3 DA H3' . 34159 1 23 . 1 1 3 3 DA H4' H 1 4.520 0.001 . 1 . . . . A 3 DA H4' . 34159 1 24 . 1 1 3 3 DA H5' H 1 4.205 0.000 . 2 . . . . A 3 DA H5' . 34159 1 25 . 1 1 3 3 DA H8 H 1 8.436 0.001 . 1 . . . . A 3 DA H8 . 34159 1 26 . 1 1 4 4 DT H1' H 1 5.726 0.002 . 1 . . . . A 4 DT H1' . 34159 1 27 . 1 1 4 4 DT H2' H 1 2.505 0.001 . 1 . . . . A 4 DT H2' . 34159 1 28 . 1 1 4 4 DT H2'' H 1 2.596 0.000 . 1 . . . . A 4 DT H2'' . 34159 1 29 . 1 1 4 4 DT H3 H 1 13.728 0.001 . 1 . . . . A 4 DT H3 . 34159 1 30 . 1 1 4 4 DT H3' H 1 5.036 0.002 . 1 . . . . A 4 DT H3' . 34159 1 31 . 1 1 4 4 DT H4' H 1 4.261 0.001 . 1 . . . . A 4 DT H4' . 34159 1 32 . 1 1 4 4 DT H6 H 1 7.420 0.001 . 1 . . . . A 4 DT H6 . 34159 1 33 . 1 1 4 4 DT H71 H 1 1.546 0.001 . 1 . . . . A 4 DT H71 . 34159 1 34 . 1 1 4 4 DT H72 H 1 1.546 0.001 . 1 . . . . A 4 DT H72 . 34159 1 35 . 1 1 4 4 DT H73 H 1 1.546 0.001 . 1 . . . . A 4 DT H73 . 34159 1 36 . 1 1 5 5 DG H1 H 1 12.281 0.002 . 1 . . . . A 5 DG H1 . 34159 1 37 . 1 1 5 5 DG H1' H 1 5.982 0.001 . 1 . . . . A 5 DG H1' . 34159 1 38 . 1 1 5 5 DG H2' H 1 2.611 0.001 . 2 . . . . A 5 DG H2' . 34159 1 39 . 1 1 5 5 DG H3' H 1 5.026 0.001 . 1 . . . . A 5 DG H3' . 34159 1 40 . 1 1 5 5 DG H4' H 1 4.213 0.001 . 1 . . . . A 5 DG H4' . 34159 1 41 . 1 1 5 5 DG H5' H 1 3.618 0.001 . 2 . . . . A 5 DG H5' . 34159 1 42 . 1 1 5 5 DG H5'' H 1 3.752 0.001 . 2 . . . . A 5 DG H5'' . 34159 1 43 . 1 1 5 5 DG H8 H 1 7.966 0.001 . 1 . . . . A 5 DG H8 . 34159 1 44 . 1 1 5 5 DG H21 H 1 8.064 0.001 . 1 . . . . A 5 DG H21 . 34159 1 45 . 1 1 5 5 DG H22 H 1 7.867 0.001 . 1 . . . . A 5 DG H22 . 34159 1 46 . 1 1 6 6 DT H1' H 1 4.963 0.002 . 1 . . . . A 6 DT H1' . 34159 1 47 . 1 1 6 6 DT H2' H 1 1.696 0.001 . 1 . . . . A 6 DT H2' . 34159 1 48 . 1 1 6 6 DT H2'' H 1 2.170 0.001 . 1 . . . . A 6 DT H2'' . 34159 1 49 . 1 1 6 6 DT H3 H 1 12.584 0.001 . 1 . . . . A 6 DT H3 . 34159 1 50 . 1 1 6 6 DT H3' H 1 4.570 0.001 . 1 . . . . A 6 DT H3' . 34159 1 51 . 1 1 6 6 DT H4' H 1 2.052 0.002 . 1 . . . . A 6 DT H4' . 34159 1 52 . 1 1 6 6 DT H5' H 1 3.392 0.001 . 2 . . . . A 6 DT H5' . 34159 1 53 . 1 1 6 6 DT H5'' H 1 3.612 0.000 . 2 . . . . A 6 DT H5'' . 34159 1 54 . 1 1 6 6 DT H6 H 1 6.960 0.001 . 1 . . . . A 6 DT H6 . 34159 1 55 . 1 1 6 6 DT H71 H 1 1.307 0.001 . 1 . . . . A 6 DT H71 . 34159 1 56 . 1 1 6 6 DT H72 H 1 1.307 0.001 . 1 . . . . A 6 DT H72 . 34159 1 57 . 1 1 6 6 DT H73 H 1 1.307 0.001 . 1 . . . . A 6 DT H73 . 34159 1 58 . 1 1 7 7 DA H1' H 1 5.507 0.001 . 1 . . . . A 7 DA H1' . 34159 1 59 . 1 1 7 7 DA H2 H 1 8.049 0.001 . 1 . . . . A 7 DA H2 . 34159 1 60 . 1 1 7 7 DA H2' H 1 2.175 0.000 . 1 . . . . A 7 DA H2' . 34159 1 61 . 1 1 7 7 DA H2'' H 1 2.685 0.001 . 1 . . . . A 7 DA H2'' . 34159 1 62 . 1 1 7 7 DA H3' H 1 4.674 0.001 . 1 . . . . A 7 DA H3' . 34159 1 63 . 1 1 7 7 DA H4' H 1 2.763 0.001 . 1 . . . . A 7 DA H4' . 34159 1 64 . 1 1 7 7 DA H5'' H 1 3.576 0.001 . 2 . . . . A 7 DA H5'' . 34159 1 65 . 1 1 7 7 DA H8 H 1 8.125 0.002 . 1 . . . . A 7 DA H8 . 34159 1 66 . 1 1 7 7 DA H61 H 1 8.451 0.001 . 1 . . . . A 7 DA H61 . 34159 1 67 . 1 1 7 7 DA H62 H 1 5.580 0.002 . 1 . . . . A 7 DA H62 . 34159 1 68 . 1 1 8 8 DC H1' H 1 5.311 0.002 . 1 . . . . A 8 DC H1' . 34159 1 69 . 1 1 8 8 DC H2' H 1 1.447 0.001 . 1 . . . . A 8 DC H2' . 34159 1 70 . 1 1 8 8 DC H2'' H 1 2.297 0.001 . 1 . . . . A 8 DC H2'' . 34159 1 71 . 1 1 8 8 DC H3' H 1 4.542 0.001 . 1 . . . . A 8 DC H3' . 34159 1 72 . 1 1 8 8 DC H4' H 1 2.191 0.001 . 1 . . . . A 8 DC H4' . 34159 1 73 . 1 1 8 8 DC H5 H 1 5.270 0.001 . 1 . . . . A 8 DC H5 . 34159 1 74 . 1 1 8 8 DC H6 H 1 6.875 0.002 . 1 . . . . A 8 DC H6 . 34159 1 75 . 1 1 8 8 DC H41 H 1 8.752 0.001 . 1 . . . . A 8 DC H41 . 34159 1 76 . 1 1 8 8 DC H42 H 1 6.402 0.001 . 1 . . . . A 8 DC H42 . 34159 1 77 . 1 1 9 9 DA H1' H 1 5.567 0.002 . 1 . . . . A 9 DA H1' . 34159 1 78 . 1 1 9 9 DA H2 H 1 7.733 0.001 . 1 . . . . A 9 DA H2 . 34159 1 79 . 1 1 9 9 DA H2' H 1 2.182 0.001 . 1 . . . . A 9 DA H2' . 34159 1 80 . 1 1 9 9 DA H2'' H 1 2.558 0.001 . 1 . . . . A 9 DA H2'' . 34159 1 81 . 1 1 9 9 DA H3' H 1 4.655 0.002 . 1 . . . . A 9 DA H3' . 34159 1 82 . 1 1 9 9 DA H4' H 1 2.671 0.001 . 1 . . . . A 9 DA H4' . 34159 1 83 . 1 1 9 9 DA H5' H 1 3.427 0.002 . 2 . . . . A 9 DA H5' . 34159 1 84 . 1 1 9 9 DA H5'' H 1 3.562 0.001 . 2 . . . . A 9 DA H5'' . 34159 1 85 . 1 1 9 9 DA H8 H 1 8.297 0.001 . 1 . . . . A 9 DA H8 . 34159 1 86 . 1 1 10 10 DT H1' H 1 5.684 0.002 . 1 . . . . A 10 DT H1' . 34159 1 87 . 1 1 10 10 DT H2' H 1 1.864 0.001 . 1 . . . . A 10 DT H2' . 34159 1 88 . 1 1 10 10 DT H2'' H 1 2.289 0.001 . 1 . . . . A 10 DT H2'' . 34159 1 89 . 1 1 10 10 DT H3 H 1 13.540 0.001 . 1 . . . . A 10 DT H3 . 34159 1 90 . 1 1 10 10 DT H3' H 1 4.766 0.001 . 1 . . . . A 10 DT H3' . 34159 1 91 . 1 1 10 10 DT H4' H 1 3.903 0.002 . 1 . . . . A 10 DT H4' . 34159 1 92 . 1 1 10 10 DT H6 H 1 6.964 0.001 . 1 . . . . A 10 DT H6 . 34159 1 93 . 1 1 10 10 DT H71 H 1 1.441 0.002 . 1 . . . . A 10 DT H71 . 34159 1 94 . 1 1 10 10 DT H72 H 1 1.441 0.002 . 1 . . . . A 10 DT H72 . 34159 1 95 . 1 1 10 10 DT H73 H 1 1.441 0.002 . 1 . . . . A 10 DT H73 . 34159 1 96 . 1 1 11 11 DC H1' H 1 5.734 0.001 . 1 . . . . A 11 DC H1' . 34159 1 97 . 1 1 11 11 DC H2' H 1 1.965 0.001 . 1 . . . . A 11 DC H2' . 34159 1 98 . 1 1 11 11 DC H2'' H 1 2.357 0.001 . 1 . . . . A 11 DC H2'' . 34159 1 99 . 1 1 11 11 DC H3' H 1 4.767 0.002 . 1 . . . . A 11 DC H3' . 34159 1 100 . 1 1 11 11 DC H4' H 1 4.113 0.000 . 1 . . . . A 11 DC H4' . 34159 1 101 . 1 1 11 11 DC H5 H 1 5.614 0.001 . 1 . . . . A 11 DC H5 . 34159 1 102 . 1 1 11 11 DC H6 H 1 7.408 0.002 . 1 . . . . A 11 DC H6 . 34159 1 103 . 1 1 11 11 DC H41 H 1 8.559 0.001 . 1 . . . . A 11 DC H41 . 34159 1 104 . 1 1 11 11 DC H42 H 1 6.910 0.001 . 1 . . . . A 11 DC H42 . 34159 1 105 . 1 1 12 12 DG H1' H 1 6.146 0.001 . 1 . . . . A 12 DG H1' . 34159 1 106 . 1 1 12 12 DG H2' H 1 2.359 0.000 . 1 . . . . A 12 DG H2' . 34159 1 107 . 1 1 12 12 DG H2'' H 1 2.587 0.000 . 1 . . . . A 12 DG H2'' . 34159 1 108 . 1 1 12 12 DG H3' H 1 4.674 0.001 . 1 . . . . A 12 DG H3' . 34159 1 109 . 1 1 12 12 DG H4' H 1 4.175 0.001 . 1 . . . . A 12 DG H4' . 34159 1 110 . 1 1 12 12 DG H5' H 1 3.622 0.000 . 2 . . . . A 12 DG H5' . 34159 1 111 . 1 1 12 12 DG H5'' H 1 3.750 0.000 . 2 . . . . A 12 DG H5'' . 34159 1 112 . 1 1 12 12 DG H8 H 1 7.925 0.001 . 1 . . . . A 12 DG H8 . 34159 1 113 . 2 1 1 1 DCZ H1' H 1 5.743 0.000 . 1 . . . . B 13 DCZ H1' . 34159 1 114 . 2 1 1 1 DCZ H2'1 H 1 1.969 0.001 . 1 . . . . B 13 DCZ H2'1 . 34159 1 115 . 2 1 1 1 DCZ H2'2 H 1 2.430 0.001 . 1 . . . . B 13 DCZ H2'2 . 34159 1 116 . 2 1 1 1 DCZ H3' H 1 4.726 0.002 . 1 . . . . B 13 DCZ H3' . 34159 1 117 . 2 1 1 1 DCZ H4' H 1 4.071 0.001 . 1 . . . . B 13 DCZ H4' . 34159 1 118 . 2 1 1 1 DCZ H5 H 1 5.911 0.001 . 1 . . . . B 13 DCZ H5 . 34159 1 119 . 2 1 1 1 DCZ H5'1 H 1 3.741 0.000 . 2 . . . . B 13 DCZ H5'1 . 34159 1 120 . 2 1 1 1 DCZ H6 H 1 7.645 0.001 . 1 . . . . B 13 DCZ H6 . 34159 1 121 . 2 1 2 2 DG H1 H 1 12.817 0.000 . 1 . . . . B 14 DG H1 . 34159 1 122 . 2 1 2 2 DG H1' H 1 5.665 0.002 . 1 . . . . B 14 DG H1' . 34159 1 123 . 2 1 2 2 DG H2' H 1 2.771 0.001 . 1 . . . . B 14 DG H2' . 34159 1 124 . 2 1 2 2 DG H2'' H 1 2.889 0.001 . 1 . . . . B 14 DG H2'' . 34159 1 125 . 2 1 2 2 DG H3' H 1 5.042 0.000 . 1 . . . . B 14 DG H3' . 34159 1 126 . 2 1 2 2 DG H4' H 1 4.365 0.001 . 1 . . . . B 14 DG H4' . 34159 1 127 . 2 1 2 2 DG H5' H 1 4.008 0.000 . 2 . . . . B 14 DG H5' . 34159 1 128 . 2 1 2 2 DG H5'' H 1 4.112 0.000 . 2 . . . . B 14 DG H5'' . 34159 1 129 . 2 1 2 2 DG H8 H 1 8.003 0.001 . 1 . . . . B 14 DG H8 . 34159 1 130 . 2 1 3 3 DA H1' H 1 6.323 0.002 . 1 . . . . B 15 DA H1' . 34159 1 131 . 2 1 3 3 DA H2 H 1 7.896 0.001 . 1 . . . . B 15 DA H2 . 34159 1 132 . 2 1 3 3 DA H2' H 1 2.701 0.001 . 1 . . . . B 15 DA H2' . 34159 1 133 . 2 1 3 3 DA H2'' H 1 2.978 0.001 . 1 . . . . B 15 DA H2'' . 34159 1 134 . 2 1 3 3 DA H3' H 1 5.101 0.001 . 1 . . . . B 15 DA H3' . 34159 1 135 . 2 1 3 3 DA H4' H 1 4.505 0.001 . 1 . . . . B 15 DA H4' . 34159 1 136 . 2 1 3 3 DA H5' H 1 4.262 0.000 . 2 . . . . B 15 DA H5' . 34159 1 137 . 2 1 3 3 DA H8 H 1 8.318 0.001 . 1 . . . . B 15 DA H8 . 34159 1 138 . 2 1 4 4 DT H1' H 1 5.618 0.001 . 1 . . . . B 16 DT H1' . 34159 1 139 . 2 1 4 4 DT H2' H 1 2.247 0.001 . 1 . . . . B 16 DT H2' . 34159 1 140 . 2 1 4 4 DT H2'' H 1 2.373 0.001 . 1 . . . . B 16 DT H2'' . 34159 1 141 . 2 1 4 4 DT H3 H 1 13.511 0.000 . 1 . . . . B 16 DT H3 . 34159 1 142 . 2 1 4 4 DT H3' H 1 4.923 0.002 . 1 . . . . B 16 DT H3' . 34159 1 143 . 2 1 4 4 DT H4' H 1 4.137 0.000 . 1 . . . . B 16 DT H4' . 34159 1 144 . 2 1 4 4 DT H6 H 1 7.274 0.001 . 1 . . . . B 16 DT H6 . 34159 1 145 . 2 1 4 4 DT H71 H 1 1.521 0.001 . 1 . . . . B 16 DT H71 . 34159 1 146 . 2 1 4 4 DT H72 H 1 1.521 0.001 . 1 . . . . B 16 DT H72 . 34159 1 147 . 2 1 4 4 DT H73 H 1 1.521 0.001 . 1 . . . . B 16 DT H73 . 34159 1 148 . 2 1 5 5 DG H1 H 1 12.745 0.002 . 1 . . . . B 17 DG H1 . 34159 1 149 . 2 1 5 5 DG H1' H 1 5.784 0.001 . 1 . . . . B 17 DG H1' . 34159 1 150 . 2 1 5 5 DG H2' H 1 2.638 0.001 . 2 . . . . B 17 DG H2' . 34159 1 151 . 2 1 5 5 DG H3' H 1 4.993 0.001 . 1 . . . . B 17 DG H3' . 34159 1 152 . 2 1 5 5 DG H4' H 1 4.262 0.001 . 1 . . . . B 17 DG H4' . 34159 1 153 . 2 1 5 5 DG H5' H 1 3.624 0.000 . 2 . . . . B 17 DG H5' . 34159 1 154 . 2 1 5 5 DG H5'' H 1 3.753 0.000 . 2 . . . . B 17 DG H5'' . 34159 1 155 . 2 1 5 5 DG H8 H 1 8.006 0.002 . 1 . . . . B 17 DG H8 . 34159 1 156 . 2 1 5 5 DG H21 H 1 8.521 0.001 . 1 . . . . B 17 DG H21 . 34159 1 157 . 2 1 5 5 DG H22 H 1 7.285 0.002 . 1 . . . . B 17 DG H22 . 34159 1 158 . 2 1 6 6 DT H1' H 1 5.197 0.001 . 1 . . . . B 18 DT H1' . 34159 1 159 . 2 1 6 6 DT H2' H 1 1.701 0.001 . 1 . . . . B 18 DT H2' . 34159 1 160 . 2 1 6 6 DT H2'' H 1 2.234 0.002 . 1 . . . . B 18 DT H2'' . 34159 1 161 . 2 1 6 6 DT H3 H 1 12.863 0.001 . 1 . . . . B 18 DT H3 . 34159 1 162 . 2 1 6 6 DT H3' H 1 4.622 0.002 . 1 . . . . B 18 DT H3' . 34159 1 163 . 2 1 6 6 DT H4' H 1 2.047 0.002 . 1 . . . . B 18 DT H4' . 34159 1 164 . 2 1 6 6 DT H5' H 1 3.433 0.002 . 2 . . . . B 18 DT H5' . 34159 1 165 . 2 1 6 6 DT H5'' H 1 3.560 0.000 . 2 . . . . B 18 DT H5'' . 34159 1 166 . 2 1 6 6 DT H6 H 1 6.973 0.002 . 1 . . . . B 18 DT H6 . 34159 1 167 . 2 1 6 6 DT H71 H 1 1.449 0.002 . 1 . . . . B 18 DT H71 . 34159 1 168 . 2 1 6 6 DT H72 H 1 1.449 0.002 . 1 . . . . B 18 DT H72 . 34159 1 169 . 2 1 6 6 DT H73 H 1 1.449 0.002 . 1 . . . . B 18 DT H73 . 34159 1 170 . 2 1 7 7 DA H1' H 1 5.516 0.001 . 1 . . . . B 19 DA H1' . 34159 1 171 . 2 1 7 7 DA H2 H 1 8.019 0.001 . 1 . . . . B 19 DA H2 . 34159 1 172 . 2 1 7 7 DA H2' H 1 2.174 0.000 . 1 . . . . B 19 DA H2' . 34159 1 173 . 2 1 7 7 DA H2'' H 1 2.702 0.001 . 1 . . . . B 19 DA H2'' . 34159 1 174 . 2 1 7 7 DA H3' H 1 4.666 0.001 . 1 . . . . B 19 DA H3' . 34159 1 175 . 2 1 7 7 DA H4' H 1 2.607 0.001 . 1 . . . . B 19 DA H4' . 34159 1 176 . 2 1 7 7 DA H5' H 1 3.434 0.000 . 1 . . . . B 19 DA H5' . 34159 1 177 . 2 1 7 7 DA H5'' H 1 3.566 0.000 . 1 . . . . B 19 DA H5'' . 34159 1 178 . 2 1 7 7 DA H8 H 1 8.145 0.001 . 1 . . . . B 19 DA H8 . 34159 1 179 . 2 1 7 7 DA H61 H 1 8.541 0.001 . 1 . . . . B 19 DA H61 . 34159 1 180 . 2 1 7 7 DA H62 H 1 5.574 0.002 . 1 . . . . B 19 DA H62 . 34159 1 181 . 2 1 8 8 DC H1' H 1 5.320 0.002 . 1 . . . . B 20 DC H1' . 34159 1 182 . 2 1 8 8 DC H2' H 1 1.482 0.001 . 1 . . . . B 20 DC H2' . 34159 1 183 . 2 1 8 8 DC H2'' H 1 2.280 0.001 . 1 . . . . B 20 DC H2'' . 34159 1 184 . 2 1 8 8 DC H3' H 1 4.545 0.002 . 1 . . . . B 20 DC H3' . 34159 1 185 . 2 1 8 8 DC H4' H 1 2.219 0.001 . 1 . . . . B 20 DC H4' . 34159 1 186 . 2 1 8 8 DC H5 H 1 5.273 0.002 . 1 . . . . B 20 DC H5 . 34159 1 187 . 2 1 8 8 DC H6 H 1 6.869 0.001 . 1 . . . . B 20 DC H6 . 34159 1 188 . 2 1 8 8 DC H41 H 1 8.716 0.001 . 1 . . . . B 20 DC H41 . 34159 1 189 . 2 1 8 8 DC H42 H 1 6.423 0.002 . 1 . . . . B 20 DC H42 . 34159 1 190 . 2 1 9 9 DA H1' H 1 5.491 0.001 . 1 . . . . B 21 DA H1' . 34159 1 191 . 2 1 9 9 DA H2 H 1 7.705 0.001 . 1 . . . . B 21 DA H2 . 34159 1 192 . 2 1 9 9 DA H2' H 1 2.181 0.001 . 1 . . . . B 21 DA H2' . 34159 1 193 . 2 1 9 9 DA H2'' H 1 2.482 0.002 . 1 . . . . B 21 DA H2'' . 34159 1 194 . 2 1 9 9 DA H3' H 1 4.638 0.001 . 1 . . . . B 21 DA H3' . 34159 1 195 . 2 1 9 9 DA H4' H 1 2.833 0.001 . 1 . . . . B 21 DA H4' . 34159 1 196 . 2 1 9 9 DA H5' H 1 3.446 0.002 . 2 . . . . B 21 DA H5' . 34159 1 197 . 2 1 9 9 DA H5'' H 1 3.570 0.002 . 2 . . . . B 21 DA H5'' . 34159 1 198 . 2 1 9 9 DA H8 H 1 8.288 0.001 . 1 . . . . B 21 DA H8 . 34159 1 199 . 2 1 10 10 DT H1' H 1 5.727 0.002 . 1 . . . . B 22 DT H1' . 34159 1 200 . 2 1 10 10 DT H2' H 1 1.830 0.001 . 1 . . . . B 22 DT H2' . 34159 1 201 . 2 1 10 10 DT H2'' H 1 2.094 0.001 . 1 . . . . B 22 DT H2'' . 34159 1 202 . 2 1 10 10 DT H3 H 1 13.808 0.001 . 1 . . . . B 22 DT H3 . 34159 1 203 . 2 1 10 10 DT H3' H 1 4.777 0.001 . 1 . . . . B 22 DT H3' . 34159 1 204 . 2 1 10 10 DT H4' H 1 3.752 0.002 . 1 . . . . B 22 DT H4' . 34159 1 205 . 2 1 10 10 DT H6 H 1 6.952 0.001 . 1 . . . . B 22 DT H6 . 34159 1 206 . 2 1 10 10 DT H71 H 1 1.368 0.001 . 1 . . . . B 22 DT H71 . 34159 1 207 . 2 1 10 10 DT H72 H 1 1.368 0.001 . 1 . . . . B 22 DT H72 . 34159 1 208 . 2 1 10 10 DT H73 H 1 1.368 0.001 . 1 . . . . B 22 DT H73 . 34159 1 209 . 2 1 11 11 DC H1' H 1 5.487 0.001 . 1 . . . . B 23 DC H1' . 34159 1 210 . 2 1 11 11 DC H2' H 1 2.098 0.002 . 1 . . . . B 23 DC H2' . 34159 1 211 . 2 1 11 11 DC H2'' H 1 2.306 0.001 . 1 . . . . B 23 DC H2'' . 34159 1 212 . 2 1 11 11 DC H3' H 1 4.789 0.002 . 1 . . . . B 23 DC H3' . 34159 1 213 . 2 1 11 11 DC H4' H 1 4.110 0.000 . 1 . . . . B 23 DC H4' . 34159 1 214 . 2 1 11 11 DC H5 H 1 5.655 0.001 . 1 . . . . B 23 DC H5 . 34159 1 215 . 2 1 11 11 DC H6 H 1 7.461 0.002 . 1 . . . . B 23 DC H6 . 34159 1 216 . 2 1 11 11 DC H41 H 1 8.630 0.002 . 1 . . . . B 23 DC H41 . 34159 1 217 . 2 1 11 11 DC H42 H 1 6.954 0.001 . 1 . . . . B 23 DC H42 . 34159 1 218 . 2 1 12 12 DG H1' H 1 6.171 0.001 . 1 . . . . B 24 DG H1' . 34159 1 219 . 2 1 12 12 DG H2' H 1 2.395 0.000 . 1 . . . . B 24 DG H2' . 34159 1 220 . 2 1 12 12 DG H2'' H 1 2.616 0.000 . 1 . . . . B 24 DG H2'' . 34159 1 221 . 2 1 12 12 DG H3' H 1 4.683 0.000 . 1 . . . . B 24 DG H3' . 34159 1 222 . 2 1 12 12 DG H4' H 1 4.160 0.001 . 1 . . . . B 24 DG H4' . 34159 1 223 . 2 1 12 12 DG H5' H 1 3.621 0.000 . 2 . . . . B 24 DG H5' . 34159 1 224 . 2 1 12 12 DG H5'' H 1 3.752 0.000 . 2 . . . . B 24 DG H5'' . 34159 1 225 . 2 1 12 12 DG H8 H 1 7.937 0.001 . 1 . . . . B 24 DG H8 . 34159 1 226 . 3 2 1 1 9TK H83 H 1 7.170 0.001 . 1 . . . . A 101 9TK H83 . 34159 1 227 . 3 2 1 1 9TK H84 H 1 7.057 0.001 . 1 . . . . A 101 9TK H84 . 34159 1 228 . 3 2 1 1 9TK H881 H 1 3.962 0.001 . 1 . . . . A 101 9TK H881 . 34159 1 229 . 4 3 1 1 PYB H H 1 9.713 0.001 . 1 . . . . A 102 PYB H . 34159 1 230 . 4 3 1 1 PYB HB1 H 1 6.036 0.001 . 1 . . . . A 102 PYB HB1 . 34159 1 231 . 4 3 1 1 PYB HB H 1 7.560 0.001 . 1 . . . . A 102 PYB HB . 34159 1 232 . 4 3 1 1 PYB HD1 H 1 3.901 0.001 . 1 . . . . A 102 PYB HD1 . 34159 1 233 . 5 3 1 1 PYB H H 1 10.442 0.002 . 1 . . . . A 103 PYB H . 34159 1 234 . 5 3 1 1 PYB HB1 H 1 6.216 0.002 . 1 . . . . A 103 PYB HB1 . 34159 1 235 . 5 3 1 1 PYB HB H 1 7.608 0.002 . 1 . . . . A 103 PYB HB . 34159 1 236 . 5 3 1 1 PYB HD1 H 1 3.784 0.001 . 1 . . . . A 103 PYB HD1 . 34159 1 237 . 6 3 1 1 PYB H H 1 9.140 0.001 . 1 . . . . A 104 PYB H . 34159 1 238 . 6 3 1 1 PYB HB1 H 1 6.444 0.001 . 1 . . . . A 104 PYB HB1 . 34159 1 239 . 6 3 1 1 PYB HB H 1 7.094 0.001 . 1 . . . . A 104 PYB HB . 34159 1 240 . 6 3 1 1 PYB HD1 H 1 3.566 0.001 . 1 . . . . A 104 PYB HD1 . 34159 1 241 . 7 4 1 1 ABU H H 1 8.244 0.002 . 1 . . . . A 105 ABU H . 34159 1 242 . 7 4 1 1 ABU HG1 H 1 1.583 0.002 . 2 . . . . A 105 ABU HG1 . 34159 1 243 . 7 4 1 1 ABU HG2 H 1 2.500 0.001 . 2 . . . . A 105 ABU HG2 . 34159 1 244 . 7 4 1 1 ABU HB1 H 1 2.163 0.001 . 2 . . . . A 105 ABU HB1 . 34159 1 245 . 7 4 1 1 ABU HB2 H 1 2.292 0.001 . 2 . . . . A 105 ABU HB2 . 34159 1 246 . 7 4 1 1 ABU HA2 H 1 2.764 0.002 . 2 . . . . A 105 ABU HA2 . 34159 1 247 . 7 4 1 1 ABU HA1 H 1 3.444 0.001 . 2 . . . . A 105 ABU HA1 . 34159 1 248 . 8 5 1 1 IMT H H 1 10.457 0.001 . 1 . . . . A 106 IMT H . 34159 1 249 . 8 5 1 1 IMT HB H 1 7.464 0.001 . 1 . . . . A 106 IMT HB . 34159 1 250 . 8 5 1 1 IMT HD1 H 1 3.944 0.001 . 1 . . . . A 106 IMT HD1 . 34159 1 251 . 9 3 1 1 PYB H H 1 9.821 0.001 . 1 . . . . A 107 PYB H . 34159 1 252 . 9 3 1 1 PYB HB1 H 1 6.190 0.001 . 1 . . . . A 107 PYB HB1 . 34159 1 253 . 9 3 1 1 PYB HB H 1 7.607 0.001 . 1 . . . . A 107 PYB HB . 34159 1 254 . 9 3 1 1 PYB HD1 H 1 3.860 0.002 . 1 . . . . A 107 PYB HD1 . 34159 1 255 . 10 3 1 1 PYB H H 1 10.670 0.001 . 1 . . . . A 108 PYB H . 34159 1 256 . 10 3 1 1 PYB HB1 H 1 6.328 0.002 . 1 . . . . A 108 PYB HB1 . 34159 1 257 . 10 3 1 1 PYB HB H 1 7.527 0.001 . 1 . . . . A 108 PYB HB . 34159 1 258 . 10 3 1 1 PYB HD1 H 1 3.711 0.001 . 1 . . . . A 108 PYB HD1 . 34159 1 259 . 11 3 1 1 PYB H H 1 9.303 0.001 . 1 . . . . A 109 PYB H . 34159 1 260 . 11 3 1 1 PYB HB1 H 1 6.305 0.001 . 1 . . . . A 109 PYB HB1 . 34159 1 261 . 11 3 1 1 PYB HB H 1 7.105 0.001 . 1 . . . . A 109 PYB HB . 34159 1 262 . 11 3 1 1 PYB HD1 H 1 3.617 0.001 . 1 . . . . A 109 PYB HD1 . 34159 1 263 . 12 6 1 1 9T8 H031 H 1 3.151 0.002 . 2 . . . . A 110 9T8 H031 . 34159 1 264 . 12 6 1 1 9T8 H032 H 1 3.170 0.000 . 2 . . . . A 110 9T8 H032 . 34159 1 265 . 12 6 1 1 9T8 H041 H 1 1.938 0.002 . 2 . . . . A 110 9T8 H041 . 34159 1 266 . 12 6 1 1 9T8 H042 H 1 2.126 0.001 . 2 . . . . A 110 9T8 H042 . 34159 1 267 . 12 6 1 1 9T8 H051 H 1 2.952 0.002 . 2 . . . . A 110 9T8 H051 . 34159 1 268 . 12 6 1 1 9T8 H052 H 1 3.619 0.001 . 2 . . . . A 110 9T8 H052 . 34159 1 269 . 12 6 1 1 9T8 H071 H 1 1.664 0.002 . 2 . . . . A 110 9T8 H071 . 34159 1 270 . 12 6 1 1 9T8 H072 H 1 2.154 0.002 . 2 . . . . A 110 9T8 H072 . 34159 1 271 . 12 6 1 1 9T8 H081 H 1 2.886 0.001 . 2 . . . . A 110 9T8 H081 . 34159 1 272 . 12 6 1 1 9T8 H082 H 1 3.791 0.001 . 2 . . . . A 110 9T8 H082 . 34159 1 273 . 12 6 1 1 9T8 HN02 H 1 8.094 0.002 . 1 . . . . A 110 9T8 HN02 . 34159 1 274 . 12 6 1 1 9T8 H1 H 1 9.138 0.001 . 1 . . . . A 110 9T8 H1 . 34159 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 34159 _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 1H-1H NOESY' . . . 34159 2 2 '2D 1H-1H NOESY' . . . 34159 2 3 '2D DQF-COSY' . . . 34159 2 4 '2D 1H-1H TOCSY' . . . 34159 2 5 '2D 1H-13C HSQC' . . . 34159 2 6 '2D 1H-31P COSY' . . . 34159 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 5.764 0.000 . 1 . . . . A 1 DCZ H1' . 34159 2 2 . 1 1 1 1 DCZ H3' H 1 4.711 0.000 . 1 . . . . A 1 DCZ H3' . 34159 2 3 . 1 1 1 1 DCZ H4' H 1 4.063 0.000 . 1 . . . . A 1 DCZ H4' . 34159 2 4 . 1 1 1 1 DCZ H5 H 1 5.875 0.000 . 1 . . . . A 1 DCZ H5 . 34159 2 5 . 1 1 1 1 DCZ H6 H 1 7.590 0.000 . 1 . . . . A 1 DCZ H6 . 34159 2 6 . 1 1 1 1 DCZ C1' C 13 85.295 0.000 . 1 . . . . A 1 DCZ C1' . 34159 2 7 . 1 1 1 1 DCZ C3' C 13 75.717 0.000 . 1 . . . . A 1 DCZ C3' . 34159 2 8 . 1 1 1 1 DCZ C4' C 13 85.781 0.000 . 1 . . . . A 1 DCZ C4' . 34159 2 9 . 1 1 1 1 DCZ C5 C 13 96.949 0.000 . 1 . . . . A 1 DCZ C5 . 34159 2 10 . 1 1 1 1 DCZ C6 C 13 140.487 0.000 . 1 . . . . A 1 DCZ C6 . 34159 2 11 . 1 1 2 2 DG H1' H 1 5.438 0.000 . 1 . . . . A 2 DG H1' . 34159 2 12 . 1 1 2 2 DG H3' H 1 5.043 0.000 . 1 . . . . A 2 DG H3' . 34159 2 13 . 1 1 2 2 DG H4' H 1 4.328 0.001 . 1 . . . . A 2 DG H4' . 34159 2 14 . 1 1 2 2 DG H8 H 1 8.019 0.000 . 1 . . . . A 2 DG H8 . 34159 2 15 . 1 1 2 2 DG C1' C 13 81.377 0.000 . 1 . . . . A 2 DG C1' . 34159 2 16 . 1 1 2 2 DG C3' C 13 76.541 0.000 . 1 . . . . A 2 DG C3' . 34159 2 17 . 1 1 2 2 DG C4' C 13 84.690 0.000 . 1 . . . . A 2 DG C4' . 34159 2 18 . 1 1 2 2 DG C8 C 13 135.513 0.000 . 1 . . . . A 2 DG C8 . 34159 2 19 . 1 1 2 2 DG P P 31 -1.087 0.001 . 1 . . . . A 2 DG P . 34159 2 20 . 1 1 3 3 DA H1' H 1 6.352 0.000 . 1 . . . . A 3 DA H1' . 34159 2 21 . 1 1 3 3 DA H2 H 1 7.961 0.000 . 1 . . . . A 3 DA H2 . 34159 2 22 . 1 1 3 3 DA H3' H 1 5.137 0.001 . 1 . . . . A 3 DA H3' . 34159 2 23 . 1 1 3 3 DA H4' H 1 4.523 0.001 . 1 . . . . A 3 DA H4' . 34159 2 24 . 1 1 3 3 DA H8 H 1 8.441 0.000 . 1 . . . . A 3 DA H8 . 34159 2 25 . 1 1 3 3 DA C1' C 13 82.052 0.000 . 1 . . . . A 3 DA C1' . 34159 2 26 . 1 1 3 3 DA C2 C 13 151.993 0.000 . 1 . . . . A 3 DA C2 . 34159 2 27 . 1 1 3 3 DA C3' C 13 77.353 0.000 . 1 . . . . A 3 DA C3' . 34159 2 28 . 1 1 3 3 DA C4' C 13 85.172 0.000 . 1 . . . . A 3 DA C4' . 34159 2 29 . 1 1 3 3 DA C8 C 13 138.739 0.000 . 1 . . . . A 3 DA C8 . 34159 2 30 . 1 1 3 3 DA P P 31 -0.858 0.001 . 1 . . . . A 3 DA P . 34159 2 31 . 1 1 4 4 DT H1' H 1 5.725 0.000 . 1 . . . . A 4 DT H1' . 34159 2 32 . 1 1 4 4 DT H3' H 1 5.044 0.002 . 1 . . . . A 4 DT H3' . 34159 2 33 . 1 1 4 4 DT H4' H 1 4.270 0.002 . 1 . . . . A 4 DT H4' . 34159 2 34 . 1 1 4 4 DT H6 H 1 7.428 0.000 . 1 . . . . A 4 DT H6 . 34159 2 35 . 1 1 4 4 DT H71 H 1 1.545 0.000 . 1 . . . . A 4 DT H71 . 34159 2 36 . 1 1 4 4 DT H72 H 1 1.545 0.000 . 1 . . . . A 4 DT H72 . 34159 2 37 . 1 1 4 4 DT H73 H 1 1.545 0.000 . 1 . . . . A 4 DT H73 . 34159 2 38 . 1 1 4 4 DT C1' C 13 83.344 0.000 . 1 . . . . A 4 DT C1' . 34159 2 39 . 1 1 4 4 DT C3' C 13 75.523 0.000 . 1 . . . . A 4 DT C3' . 34159 2 40 . 1 1 4 4 DT C4' C 13 84.906 0.000 . 1 . . . . A 4 DT C4' . 34159 2 41 . 1 1 4 4 DT C6 C 13 136.280 0.000 . 1 . . . . A 4 DT C6 . 34159 2 42 . 1 1 4 4 DT C7 C 13 11.357 0.000 . 1 . . . . A 4 DT C7 . 34159 2 43 . 1 1 4 4 DT P P 31 -1.466 0.001 . 1 . . . . A 4 DT P . 34159 2 44 . 1 1 5 5 DG H1' H 1 5.988 0.000 . 1 . . . . A 5 DG H1' . 34159 2 45 . 1 1 5 5 DG H3' H 1 5.032 0.001 . 1 . . . . A 5 DG H3' . 34159 2 46 . 1 1 5 5 DG H4' H 1 4.220 0.001 . 1 . . . . A 5 DG H4' . 34159 2 47 . 1 1 5 5 DG H8 H 1 7.974 0.000 . 1 . . . . A 5 DG H8 . 34159 2 48 . 1 1 5 5 DG C1' C 13 82.557 0.000 . 1 . . . . A 5 DG C1' . 34159 2 49 . 1 1 5 5 DG C3' C 13 78.753 0.000 . 1 . . . . A 5 DG C3' . 34159 2 50 . 1 1 5 5 DG C4' C 13 84.913 0.000 . 1 . . . . A 5 DG C4' . 34159 2 51 . 1 1 5 5 DG C8 C 13 135.756 0.000 . 1 . . . . A 5 DG C8 . 34159 2 52 . 1 1 5 5 DG P P 31 -0.364 0.002 . 1 . . . . A 5 DG P . 34159 2 53 . 1 1 6 6 DT H1' H 1 4.972 0.000 . 1 . . . . A 6 DT H1' . 34159 2 54 . 1 1 6 6 DT H3' H 1 4.579 0.002 . 1 . . . . A 6 DT H3' . 34159 2 55 . 1 1 6 6 DT H4' H 1 2.067 0.001 . 1 . . . . A 6 DT H4' . 34159 2 56 . 1 1 6 6 DT H6 H 1 6.966 0.000 . 1 . . . . A 6 DT H6 . 34159 2 57 . 1 1 6 6 DT H71 H 1 1.306 0.000 . 1 . . . . A 6 DT H71 . 34159 2 58 . 1 1 6 6 DT H72 H 1 1.306 0.000 . 1 . . . . A 6 DT H72 . 34159 2 59 . 1 1 6 6 DT H73 H 1 1.306 0.000 . 1 . . . . A 6 DT H73 . 34159 2 60 . 1 1 6 6 DT C1' C 13 81.831 0.000 . 1 . . . . A 6 DT C1' . 34159 2 61 . 1 1 6 6 DT C3' C 13 73.676 0.000 . 1 . . . . A 6 DT C3' . 34159 2 62 . 1 1 6 6 DT C4' C 13 80.825 0.000 . 1 . . . . A 6 DT C4' . 34159 2 63 . 1 1 6 6 DT C6 C 13 136.531 0.000 . 1 . . . . A 6 DT C6 . 34159 2 64 . 1 1 6 6 DT C7 C 13 11.537 0.000 . 1 . . . . A 6 DT C7 . 34159 2 65 . 1 1 6 6 DT P P 31 -1.115 0.001 . 1 . . . . A 6 DT P . 34159 2 66 . 1 1 7 7 DA H1' H 1 5.508 0.000 . 1 . . . . A 7 DA H1' . 34159 2 67 . 1 1 7 7 DA H2 H 1 8.054 0.000 . 1 . . . . A 7 DA H2 . 34159 2 68 . 1 1 7 7 DA H3' H 1 4.679 0.002 . 1 . . . . A 7 DA H3' . 34159 2 69 . 1 1 7 7 DA H4' H 1 2.771 0.002 . 1 . . . . A 7 DA H4' . 34159 2 70 . 1 1 7 7 DA H8 H 1 8.126 0.000 . 1 . . . . A 7 DA H8 . 34159 2 71 . 1 1 7 7 DA C1' C 13 80.742 0.000 . 1 . . . . A 7 DA C1' . 34159 2 72 . 1 1 7 7 DA C2 C 13 152.048 0.000 . 1 . . . . A 7 DA C2 . 34159 2 73 . 1 1 7 7 DA C3' C 13 76.152 0.000 . 1 . . . . A 7 DA C3' . 34159 2 74 . 1 1 7 7 DA C4' C 13 82.987 0.000 . 1 . . . . A 7 DA C4' . 34159 2 75 . 1 1 7 7 DA C8 C 13 139.643 0.000 . 1 . . . . A 7 DA C8 . 34159 2 76 . 1 1 7 7 DA P P 31 -1.522 0.001 . 1 . . . . A 7 DA P . 34159 2 77 . 1 1 8 8 DC H1' H 1 5.314 0.000 . 1 . . . . A 8 DC H1' . 34159 2 78 . 1 1 8 8 DC H3' H 1 4.542 0.000 . 1 . . . . A 8 DC H3' . 34159 2 79 . 1 1 8 8 DC H4' H 1 2.208 0.001 . 1 . . . . A 8 DC H4' . 34159 2 80 . 1 1 8 8 DC H5 H 1 5.262 0.000 . 1 . . . . A 8 DC H5 . 34159 2 81 . 1 1 8 8 DC H6 H 1 6.880 0.000 . 1 . . . . A 8 DC H6 . 34159 2 82 . 1 1 8 8 DC C1' C 13 81.575 0.000 . 1 . . . . A 8 DC C1' . 34159 2 83 . 1 1 8 8 DC C3' C 13 72.783 0.000 . 1 . . . . A 8 DC C3' . 34159 2 84 . 1 1 8 8 DC C4' C 13 80.808 0.000 . 1 . . . . A 8 DC C4' . 34159 2 85 . 1 1 8 8 DC C5 C 13 96.141 0.000 . 1 . . . . A 8 DC C5 . 34159 2 86 . 1 1 8 8 DC C6 C 13 139.822 0.000 . 1 . . . . A 8 DC C6 . 34159 2 87 . 1 1 8 8 DC P P 31 -1.856 0.001 . 1 . . . . A 8 DC P . 34159 2 88 . 1 1 9 9 DA H1' H 1 5.571 0.000 . 1 . . . . A 9 DA H1' . 34159 2 89 . 1 1 9 9 DA H2 H 1 7.734 0.000 . 1 . . . . A 9 DA H2 . 34159 2 90 . 1 1 9 9 DA H3' H 1 4.656 0.000 . 1 . . . . A 9 DA H3' . 34159 2 91 . 1 1 9 9 DA H4' H 1 2.680 0.002 . 1 . . . . A 9 DA H4' . 34159 2 92 . 1 1 9 9 DA H8 H 1 8.297 0.000 . 1 . . . . A 9 DA H8 . 34159 2 93 . 1 1 9 9 DA C1' C 13 80.521 0.000 . 1 . . . . A 9 DA C1' . 34159 2 94 . 1 1 9 9 DA C2 C 13 151.453 0.000 . 1 . . . . A 9 DA C2 . 34159 2 95 . 1 1 9 9 DA C3' C 13 74.216 0.000 . 1 . . . . A 9 DA C3' . 34159 2 96 . 1 1 9 9 DA C4' C 13 82.414 0.000 . 1 . . . . A 9 DA C4' . 34159 2 97 . 1 1 9 9 DA C8 C 13 139.458 0.000 . 1 . . . . A 9 DA C8 . 34159 2 98 . 1 1 9 9 DA P P 31 -1.946 0.000 . 1 . . . . A 9 DA P . 34159 2 99 . 1 1 10 10 DT H1' H 1 5.681 0.000 . 1 . . . . A 10 DT H1' . 34159 2 100 . 1 1 10 10 DT H3' H 1 4.765 0.002 . 1 . . . . A 10 DT H3' . 34159 2 101 . 1 1 10 10 DT H4' H 1 3.909 0.002 . 1 . . . . A 10 DT H4' . 34159 2 102 . 1 1 10 10 DT H6 H 1 6.963 0.000 . 1 . . . . A 10 DT H6 . 34159 2 103 . 1 1 10 10 DT H71 H 1 1.441 0.000 . 1 . . . . A 10 DT H71 . 34159 2 104 . 1 1 10 10 DT H72 H 1 1.441 0.000 . 1 . . . . A 10 DT H72 . 34159 2 105 . 1 1 10 10 DT H73 H 1 1.441 0.000 . 1 . . . . A 10 DT H73 . 34159 2 106 . 1 1 10 10 DT C1' C 13 81.397 0.000 . 1 . . . . A 10 DT C1' . 34159 2 107 . 1 1 10 10 DT C3' C 13 73.037 0.000 . 1 . . . . A 10 DT C3' . 34159 2 108 . 1 1 10 10 DT C4' C 13 81.754 0.000 . 1 . . . . A 10 DT C4' . 34159 2 109 . 1 1 10 10 DT C6 C 13 135.879 0.000 . 1 . . . . A 10 DT C6 . 34159 2 110 . 1 1 10 10 DT C7 C 13 11.274 0.000 . 1 . . . . A 10 DT C7 . 34159 2 111 . 1 1 10 10 DT P P 31 -1.828 0.000 . 1 . . . . A 10 DT P . 34159 2 112 . 1 1 11 11 DC H1' H 1 5.736 0.000 . 1 . . . . A 11 DC H1' . 34159 2 113 . 1 1 11 11 DC H3' H 1 4.791 0.000 . 1 . . . . A 11 DC H3' . 34159 2 114 . 1 1 11 11 DC H4' H 1 4.116 0.002 . 1 . . . . A 11 DC H4' . 34159 2 115 . 1 1 11 11 DC H5 H 1 5.612 0.000 . 1 . . . . A 11 DC H5 . 34159 2 116 . 1 1 11 11 DC H6 H 1 7.412 0.000 . 1 . . . . A 11 DC H6 . 34159 2 117 . 1 1 11 11 DC C1' C 13 83.607 0.000 . 1 . . . . A 11 DC C1' . 34159 2 118 . 1 1 11 11 DC C3' C 13 75.108 0.000 . 1 . . . . A 11 DC C3' . 34159 2 119 . 1 1 11 11 DC C4' C 13 83.442 0.000 . 1 . . . . A 11 DC C4' . 34159 2 120 . 1 1 11 11 DC C5 C 13 95.960 0.000 . 1 . . . . A 11 DC C5 . 34159 2 121 . 1 1 11 11 DC C6 C 13 141.070 0.000 . 1 . . . . A 11 DC C6 . 34159 2 122 . 1 1 11 11 DC P P 31 -1.182 0.002 . 1 . . . . A 11 DC P . 34159 2 123 . 1 1 12 12 DG H1' H 1 6.147 0.000 . 1 . . . . A 12 DG H1' . 34159 2 124 . 1 1 12 12 DG H3' H 1 4.671 0.000 . 1 . . . . A 12 DG H3' . 34159 2 125 . 1 1 12 12 DG H4' H 1 4.181 0.002 . 1 . . . . A 12 DG H4' . 34159 2 126 . 1 1 12 12 DG H8 H 1 7.930 0.000 . 1 . . . . A 12 DG H8 . 34159 2 127 . 1 1 12 12 DG C1' C 13 82.043 0.000 . 1 . . . . A 12 DG C1' . 34159 2 128 . 1 1 12 12 DG C3' C 13 70.708 0.000 . 1 . . . . A 12 DG C3' . 34159 2 129 . 1 1 12 12 DG C4' C 13 85.355 0.000 . 1 . . . . A 12 DG C4' . 34159 2 130 . 1 1 12 12 DG C8 C 13 136.201 0.000 . 1 . . . . A 12 DG C8 . 34159 2 131 . 1 1 12 12 DG P P 31 -0.951 0.000 . 1 . . . . A 12 DG P . 34159 2 132 . 2 1 1 1 DCZ H1' H 1 5.746 0.000 . 1 . . . . B 13 DCZ H1' . 34159 2 133 . 2 1 1 1 DCZ H3' H 1 4.727 0.002 . 1 . . . . B 13 DCZ H3' . 34159 2 134 . 2 1 1 1 DCZ H4' H 1 4.070 0.000 . 1 . . . . B 13 DCZ H4' . 34159 2 135 . 2 1 1 1 DCZ H5 H 1 5.912 0.000 . 1 . . . . B 13 DCZ H5 . 34159 2 136 . 2 1 1 1 DCZ H6 H 1 7.643 0.000 . 1 . . . . B 13 DCZ H6 . 34159 2 137 . 2 1 1 1 DCZ C1' C 13 85.295 0.000 . 1 . . . . B 13 DCZ C1' . 34159 2 138 . 2 1 1 1 DCZ C3' C 13 75.093 0.000 . 1 . . . . B 13 DCZ C3' . 34159 2 139 . 2 1 1 1 DCZ C4' C 13 85.536 0.000 . 1 . . . . B 13 DCZ C4' . 34159 2 140 . 2 1 1 1 DCZ C5 C 13 96.847 0.000 . 1 . . . . B 13 DCZ C5 . 34159 2 141 . 2 1 1 1 DCZ C6 C 13 140.555 0.000 . 1 . . . . B 13 DCZ C6 . 34159 2 142 . 2 1 2 2 DG H3' H 1 5.049 0.002 . 1 . . . . B 14 DG H3' . 34159 2 143 . 2 1 2 2 DG H4' H 1 4.371 0.002 . 1 . . . . B 14 DG H4' . 34159 2 144 . 2 1 2 2 DG H8 H 1 8.010 0.000 . 1 . . . . B 14 DG H8 . 34159 2 145 . 2 1 2 2 DG C3' C 13 77.183 0.000 . 1 . . . . B 14 DG C3' . 34159 2 146 . 2 1 2 2 DG C4' C 13 84.710 0.000 . 1 . . . . B 14 DG C4' . 34159 2 147 . 2 1 2 2 DG C8 C 13 136.826 0.000 . 1 . . . . B 14 DG C8 . 34159 2 148 . 2 1 2 2 DG P P 31 -1.087 0.001 . 1 . . . . B 14 DG P . 34159 2 149 . 2 1 3 3 DA H1' H 1 6.321 0.000 . 1 . . . . B 15 DA H1' . 34159 2 150 . 2 1 3 3 DA H2 H 1 7.894 0.000 . 1 . . . . B 15 DA H2 . 34159 2 151 . 2 1 3 3 DA H3' H 1 5.109 0.002 . 1 . . . . B 15 DA H3' . 34159 2 152 . 2 1 3 3 DA H4' H 1 4.511 0.001 . 1 . . . . B 15 DA H4' . 34159 2 153 . 2 1 3 3 DA H8 H 1 8.319 0.000 . 1 . . . . B 15 DA H8 . 34159 2 154 . 2 1 3 3 DA C1' C 13 82.196 0.000 . 1 . . . . B 15 DA C1' . 34159 2 155 . 2 1 3 3 DA C2 C 13 152.312 0.000 . 1 . . . . B 15 DA C2 . 34159 2 156 . 2 1 3 3 DA C3' C 13 77.060 0.000 . 1 . . . . B 15 DA C3' . 34159 2 157 . 2 1 3 3 DA C4' C 13 84.911 0.000 . 1 . . . . B 15 DA C4' . 34159 2 158 . 2 1 3 3 DA C8 C 13 138.562 0.000 . 1 . . . . B 15 DA C8 . 34159 2 159 . 2 1 3 3 DA P P 31 -1.165 0.001 . 1 . . . . B 15 DA P . 34159 2 160 . 2 1 4 4 DT H1' H 1 5.618 0.000 . 1 . . . . B 16 DT H1' . 34159 2 161 . 2 1 4 4 DT H3' H 1 4.926 0.000 . 1 . . . . B 16 DT H3' . 34159 2 162 . 2 1 4 4 DT H4' H 1 4.142 0.002 . 1 . . . . B 16 DT H4' . 34159 2 163 . 2 1 4 4 DT H6 H 1 7.277 0.000 . 1 . . . . B 16 DT H6 . 34159 2 164 . 2 1 4 4 DT H71 H 1 1.522 0.000 . 1 . . . . B 16 DT H71 . 34159 2 165 . 2 1 4 4 DT H72 H 1 1.522 0.000 . 1 . . . . B 16 DT H72 . 34159 2 166 . 2 1 4 4 DT H73 H 1 1.522 0.000 . 1 . . . . B 16 DT H73 . 34159 2 167 . 2 1 4 4 DT C1' C 13 82.401 0.000 . 1 . . . . B 16 DT C1' . 34159 2 168 . 2 1 4 4 DT C3' C 13 73.218 0.000 . 1 . . . . B 16 DT C3' . 34159 2 169 . 2 1 4 4 DT C4' C 13 82.187 0.000 . 1 . . . . B 16 DT C4' . 34159 2 170 . 2 1 4 4 DT C6 C 13 136.158 0.000 . 1 . . . . B 16 DT C6 . 34159 2 171 . 2 1 4 4 DT C7 C 13 11.362 0.000 . 1 . . . . B 16 DT C7 . 34159 2 172 . 2 1 4 4 DT P P 31 -1.340 0.001 . 1 . . . . B 16 DT P . 34159 2 173 . 2 1 5 5 DG H1' H 1 5.787 0.000 . 1 . . . . B 17 DG H1' . 34159 2 174 . 2 1 5 5 DG H3' H 1 5.001 0.002 . 1 . . . . B 17 DG H3' . 34159 2 175 . 2 1 5 5 DG H4' H 1 4.269 0.000 . 1 . . . . B 17 DG H4' . 34159 2 176 . 2 1 5 5 DG H8 H 1 8.011 0.000 . 1 . . . . B 17 DG H8 . 34159 2 177 . 2 1 5 5 DG C1' C 13 82.655 0.000 . 1 . . . . B 17 DG C1' . 34159 2 178 . 2 1 5 5 DG C3' C 13 78.283 0.000 . 1 . . . . B 17 DG C3' . 34159 2 179 . 2 1 5 5 DG C8 C 13 135.355 0.000 . 1 . . . . B 17 DG C8 . 34159 2 180 . 2 1 5 5 DG P P 31 -0.477 0.002 . 1 . . . . B 17 DG P . 34159 2 181 . 2 1 6 6 DT H1' H 1 5.201 0.000 . 1 . . . . B 18 DT H1' . 34159 2 182 . 2 1 6 6 DT H3' H 1 4.630 0.000 . 1 . . . . B 18 DT H3' . 34159 2 183 . 2 1 6 6 DT H4' H 1 2.058 0.002 . 1 . . . . B 18 DT H4' . 34159 2 184 . 2 1 6 6 DT H6 H 1 6.993 0.000 . 1 . . . . B 18 DT H6 . 34159 2 185 . 2 1 6 6 DT H71 H 1 1.451 0.000 . 1 . . . . B 18 DT H71 . 34159 2 186 . 2 1 6 6 DT H72 H 1 1.451 0.000 . 1 . . . . B 18 DT H72 . 34159 2 187 . 2 1 6 6 DT H73 H 1 1.451 0.000 . 1 . . . . B 18 DT H73 . 34159 2 188 . 2 1 6 6 DT C1' C 13 81.898 0.000 . 1 . . . . B 18 DT C1' . 34159 2 189 . 2 1 6 6 DT C3' C 13 73.879 0.000 . 1 . . . . B 18 DT C3' . 34159 2 190 . 2 1 6 6 DT C4' C 13 81.499 0.000 . 1 . . . . B 18 DT C4' . 34159 2 191 . 2 1 6 6 DT C6 C 13 136.395 0.000 . 1 . . . . B 18 DT C6 . 34159 2 192 . 2 1 6 6 DT C7 C 13 12.160 0.000 . 1 . . . . B 18 DT C7 . 34159 2 193 . 2 1 6 6 DT P P 31 -1.532 0.000 . 1 . . . . B 18 DT P . 34159 2 194 . 2 1 7 7 DA H1' H 1 5.516 0.000 . 1 . . . . B 19 DA H1' . 34159 2 195 . 2 1 7 7 DA H2 H 1 8.023 0.000 . 1 . . . . B 19 DA H2 . 34159 2 196 . 2 1 7 7 DA H3' H 1 4.668 0.002 . 1 . . . . B 19 DA H3' . 34159 2 197 . 2 1 7 7 DA H4' H 1 2.614 0.002 . 1 . . . . B 19 DA H4' . 34159 2 198 . 2 1 7 7 DA H8 H 1 8.141 0.000 . 1 . . . . B 19 DA H8 . 34159 2 199 . 2 1 7 7 DA C1' C 13 81.282 0.000 . 1 . . . . B 19 DA C1' . 34159 2 200 . 2 1 7 7 DA C2 C 13 152.379 0.000 . 1 . . . . B 19 DA C2 . 34159 2 201 . 2 1 7 7 DA C3' C 13 75.542 0.000 . 1 . . . . B 19 DA C3' . 34159 2 202 . 2 1 7 7 DA C4' C 13 82.678 0.000 . 1 . . . . B 19 DA C4' . 34159 2 203 . 2 1 7 7 DA C8 C 13 139.652 0.000 . 1 . . . . B 19 DA C8 . 34159 2 204 . 2 1 7 7 DA P P 31 -1.622 0.002 . 1 . . . . B 19 DA P . 34159 2 205 . 2 1 8 8 DC H1' H 1 5.326 0.000 . 1 . . . . B 20 DC H1' . 34159 2 206 . 2 1 8 8 DC H3' H 1 4.541 0.000 . 1 . . . . B 20 DC H3' . 34159 2 207 . 2 1 8 8 DC H4' H 1 2.235 0.001 . 1 . . . . B 20 DC H4' . 34159 2 208 . 2 1 8 8 DC H5 H 1 5.276 0.000 . 1 . . . . B 20 DC H5 . 34159 2 209 . 2 1 8 8 DC H6 H 1 6.869 0.000 . 1 . . . . B 20 DC H6 . 34159 2 210 . 2 1 8 8 DC C1' C 13 81.563 0.000 . 1 . . . . B 20 DC C1' . 34159 2 211 . 2 1 8 8 DC C3' C 13 72.895 0.000 . 1 . . . . B 20 DC C3' . 34159 2 212 . 2 1 8 8 DC C4' C 13 80.814 0.000 . 1 . . . . B 20 DC C4' . 34159 2 213 . 2 1 8 8 DC C5 C 13 96.125 0.000 . 1 . . . . B 20 DC C5 . 34159 2 214 . 2 1 8 8 DC C6 C 13 139.552 0.000 . 1 . . . . B 20 DC C6 . 34159 2 215 . 2 1 8 8 DC P P 31 -1.950 0.002 . 1 . . . . B 20 DC P . 34159 2 216 . 2 1 9 9 DA H1' H 1 5.491 0.000 . 1 . . . . B 21 DA H1' . 34159 2 217 . 2 1 9 9 DA H2 H 1 7.706 0.000 . 1 . . . . B 21 DA H2 . 34159 2 218 . 2 1 9 9 DA H3' H 1 4.638 0.000 . 1 . . . . B 21 DA H3' . 34159 2 219 . 2 1 9 9 DA H4' H 1 2.840 0.001 . 1 . . . . B 21 DA H4' . 34159 2 220 . 2 1 9 9 DA H8 H 1 8.283 0.000 . 1 . . . . B 21 DA H8 . 34159 2 221 . 2 1 9 9 DA C1' C 13 80.560 0.000 . 1 . . . . B 21 DA C1' . 34159 2 222 . 2 1 9 9 DA C2 C 13 150.876 0.000 . 1 . . . . B 21 DA C2 . 34159 2 223 . 2 1 9 9 DA C3' C 13 74.441 0.000 . 1 . . . . B 21 DA C3' . 34159 2 224 . 2 1 9 9 DA C4' C 13 82.484 0.000 . 1 . . . . B 21 DA C4' . 34159 2 225 . 2 1 9 9 DA C8 C 13 139.325 0.000 . 1 . . . . B 21 DA C8 . 34159 2 226 . 2 1 9 9 DA P P 31 -1.927 0.000 . 1 . . . . B 21 DA P . 34159 2 227 . 2 1 10 10 DT H1' H 1 5.729 0.000 . 1 . . . . B 22 DT H1' . 34159 2 228 . 2 1 10 10 DT H3' H 1 4.777 0.001 . 1 . . . . B 22 DT H3' . 34159 2 229 . 2 1 10 10 DT H4' H 1 3.762 0.000 . 1 . . . . B 22 DT H4' . 34159 2 230 . 2 1 10 10 DT H6 H 1 6.959 0.000 . 1 . . . . B 22 DT H6 . 34159 2 231 . 2 1 10 10 DT H71 H 1 1.369 0.000 . 1 . . . . B 22 DT H71 . 34159 2 232 . 2 1 10 10 DT H72 H 1 1.369 0.000 . 1 . . . . B 22 DT H72 . 34159 2 233 . 2 1 10 10 DT H73 H 1 1.369 0.000 . 1 . . . . B 22 DT H73 . 34159 2 234 . 2 1 10 10 DT C1' C 13 81.422 0.000 . 1 . . . . B 22 DT C1' . 34159 2 235 . 2 1 10 10 DT C3' C 13 73.536 0.000 . 1 . . . . B 22 DT C3' . 34159 2 236 . 2 1 10 10 DT C4' C 13 82.081 0.000 . 1 . . . . B 22 DT C4' . 34159 2 237 . 2 1 10 10 DT C6 C 13 135.862 0.000 . 1 . . . . B 22 DT C6 . 34159 2 238 . 2 1 10 10 DT C7 C 13 11.297 0.000 . 1 . . . . B 22 DT C7 . 34159 2 239 . 2 1 10 10 DT P P 31 -2.074 0.000 . 1 . . . . B 22 DT P . 34159 2 240 . 2 1 11 11 DC H1' H 1 5.487 0.000 . 1 . . . . B 23 DC H1' . 34159 2 241 . 2 1 11 11 DC H3' H 1 4.814 0.000 . 1 . . . . B 23 DC H3' . 34159 2 242 . 2 1 11 11 DC H4' H 1 4.119 0.002 . 1 . . . . B 23 DC H4' . 34159 2 243 . 2 1 11 11 DC H5 H 1 5.650 0.000 . 1 . . . . B 23 DC H5 . 34159 2 244 . 2 1 11 11 DC H6 H 1 7.461 0.000 . 1 . . . . B 23 DC H6 . 34159 2 245 . 2 1 11 11 DC C1' C 13 84.073 0.000 . 1 . . . . B 23 DC C1' . 34159 2 246 . 2 1 11 11 DC C3' C 13 73.923 0.000 . 1 . . . . B 23 DC C3' . 34159 2 247 . 2 1 11 11 DC C4' C 13 82.792 0.000 . 1 . . . . B 23 DC C4' . 34159 2 248 . 2 1 11 11 DC C5 C 13 96.148 0.000 . 1 . . . . B 23 DC C5 . 34159 2 249 . 2 1 11 11 DC C6 C 13 141.177 0.000 . 1 . . . . B 23 DC C6 . 34159 2 250 . 2 1 11 11 DC P P 31 -1.349 0.001 . 1 . . . . B 23 DC P . 34159 2 251 . 2 1 12 12 DG H1' H 1 6.170 0.000 . 1 . . . . B 24 DG H1' . 34159 2 252 . 2 1 12 12 DG H3' H 1 4.681 0.000 . 1 . . . . B 24 DG H3' . 34159 2 253 . 2 1 12 12 DG H4' H 1 4.158 0.000 . 1 . . . . B 24 DG H4' . 34159 2 254 . 2 1 12 12 DG H8 H 1 7.938 0.000 . 1 . . . . B 24 DG H8 . 34159 2 255 . 2 1 12 12 DG C1' C 13 82.256 0.000 . 1 . . . . B 24 DG C1' . 34159 2 256 . 2 1 12 12 DG C3' C 13 70.904 0.000 . 1 . . . . B 24 DG C3' . 34159 2 257 . 2 1 12 12 DG C4' C 13 85.359 0.000 . 1 . . . . B 24 DG C4' . 34159 2 258 . 2 1 12 12 DG C8 C 13 136.505 0.000 . 1 . . . . B 24 DG C8 . 34159 2 259 . 2 1 12 12 DG P P 31 -0.508 0.000 . 1 . . . . B 24 DG P . 34159 2 260 . 3 2 1 1 9TK H83 H 1 7.179 0.000 . 1 . . . . A 101 9TK H83 . 34159 2 261 . 3 2 1 1 9TK H84 H 1 7.056 0.000 . 1 . . . . A 101 9TK H84 . 34159 2 262 . 3 2 1 1 9TK H881 H 1 3.963 0.000 . 1 . . . . A 101 9TK H881 . 34159 2 263 . 3 2 1 1 9TK C83 C 13 130.158 0.000 . 1 . . . . A 101 9TK C83 . 34159 2 264 . 3 2 1 1 9TK C84 C 13 124.398 0.000 . 1 . . . . A 101 9TK C84 . 34159 2 265 . 3 2 1 1 9TK C88 C 13 35.552 0.000 . 1 . . . . A 101 9TK C88 . 34159 2 266 . 4 3 1 1 PYB HB1 H 1 6.037 0.000 . 1 . . . . A 102 PYB HB1 . 34159 2 267 . 4 3 1 1 PYB HB H 1 7.566 0.000 . 1 . . . . A 102 PYB HB . 34159 2 268 . 4 3 1 1 PYB HD1 H 1 3.902 0.000 . 1 . . . . A 102 PYB HD1 . 34159 2 269 . 4 3 1 1 PYB CB1 C 13 104.252 0.000 . 1 . . . . A 102 PYB CB1 . 34159 2 270 . 4 3 1 1 PYB CB C 13 120.723 0.000 . 1 . . . . A 102 PYB CB . 34159 2 271 . 4 3 1 1 PYB CD C 13 37.557 0.000 . 1 . . . . A 102 PYB CD . 34159 2 272 . 5 3 1 1 PYB HB1 H 1 6.230 0.000 . 1 . . . . A 103 PYB HB1 . 34159 2 273 . 5 3 1 1 PYB HB H 1 7.614 0.000 . 1 . . . . A 103 PYB HB . 34159 2 274 . 5 3 1 1 PYB HD1 H 1 3.782 0.000 . 1 . . . . A 103 PYB HD1 . 34159 2 275 . 5 3 1 1 PYB CB1 C 13 102.713 0.000 . 1 . . . . A 103 PYB CB1 . 34159 2 276 . 5 3 1 1 PYB CB C 13 122.041 0.000 . 1 . . . . A 103 PYB CB . 34159 2 277 . 5 3 1 1 PYB CD C 13 37.140 0.000 . 1 . . . . A 103 PYB CD . 34159 2 278 . 6 3 1 1 PYB HB1 H 1 6.451 0.000 . 1 . . . . A 104 PYB HB1 . 34159 2 279 . 6 3 1 1 PYB HD1 H 1 3.562 0.000 . 1 . . . . A 104 PYB HD1 . 34159 2 280 . 6 3 1 1 PYB CB1 C 13 105.278 0.000 . 1 . . . . A 104 PYB CB1 . 34159 2 281 . 6 3 1 1 PYB CD C 13 36.254 0.000 . 1 . . . . A 104 PYB CD . 34159 2 282 . 8 5 1 1 IMT HD1 H 1 3.945 0.000 . 1 . . . . A 106 IMT HD1 . 34159 2 283 . 8 5 1 1 IMT CD C 13 36.371 0.000 . 1 . . . . A 106 IMT CD . 34159 2 284 . 9 3 1 1 PYB HB1 H 1 6.191 0.000 . 1 . . . . A 107 PYB HB1 . 34159 2 285 . 9 3 1 1 PYB HD1 H 1 3.864 0.000 . 1 . . . . A 107 PYB HD1 . 34159 2 286 . 9 3 1 1 PYB CB1 C 13 104.258 0.000 . 1 . . . . A 107 PYB CB1 . 34159 2 287 . 9 3 1 1 PYB CD C 13 37.845 0.000 . 1 . . . . A 107 PYB CD . 34159 2 288 . 10 3 1 1 PYB HB1 H 1 6.336 0.000 . 1 . . . . A 108 PYB HB1 . 34159 2 289 . 10 3 1 1 PYB HB H 1 7.530 0.000 . 1 . . . . A 108 PYB HB . 34159 2 290 . 10 3 1 1 PYB HD1 H 1 3.710 0.000 . 1 . . . . A 108 PYB HD1 . 34159 2 291 . 10 3 1 1 PYB CB1 C 13 102.543 0.000 . 1 . . . . A 108 PYB CB1 . 34159 2 292 . 10 3 1 1 PYB CB C 13 121.670 0.000 . 1 . . . . A 108 PYB CB . 34159 2 293 . 10 3 1 1 PYB CD C 13 37.075 0.000 . 1 . . . . A 108 PYB CD . 34159 2 294 . 11 3 1 1 PYB HB1 H 1 6.309 0.000 . 1 . . . . A 109 PYB HB1 . 34159 2 295 . 11 3 1 1 PYB HB H 1 7.110 0.000 . 1 . . . . A 109 PYB HB . 34159 2 296 . 11 3 1 1 PYB HD1 H 1 3.615 0.000 . 1 . . . . A 109 PYB HD1 . 34159 2 297 . 11 3 1 1 PYB CB1 C 13 106.588 0.000 . 1 . . . . A 109 PYB CB1 . 34159 2 298 . 11 3 1 1 PYB CD C 13 36.201 0.000 . 1 . . . . A 109 PYB CD . 34159 2 stop_ save_