################################### # 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 36747 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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' 1 $sample_1 isotropic 36747 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 36747 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 DA H1' H 1 6.11 0.002 . 1 . . . . A 1 DA H1' . 36747 1 2 . 1 . 1 1 1 DA H2 H 1 7.84 0.002 . 1 . . . . A 1 DA H2 . 36747 1 3 . 1 . 1 1 1 DA H2' H 1 2.441 0.002 . 1 . . . . A 1 DA H2' . 36747 1 4 . 1 . 1 1 1 DA H2'' H 1 2.3 0.002 . 1 . . . . A 1 DA H2'' . 36747 1 5 . 1 . 1 1 1 DA H8 H 1 7.942 0.002 . 1 . . . . A 1 DA H8 . 36747 1 6 . 1 . 1 1 1 DA C1' C 13 88.06 0.01 . 1 . . . . A 1 DA C1' . 36747 1 7 . 1 . 1 1 1 DA C2 C 13 154.5 0.01 . 1 . . . . A 1 DA C2 . 36747 1 8 . 1 . 1 1 1 DA C2' C 13 40.47 0.01 . 1 . . . . A 1 DA C2' . 36747 1 9 . 1 . 1 1 1 DA C8 C 13 142.7 0.01 . 1 . . . . A 1 DA C8 . 36747 1 10 . 1 . 1 2 2 DA H1' H 1 5.891 0.002 . 1 . . . . A 2 DA H1' . 36747 1 11 . 1 . 1 2 2 DA H2 H 1 7.771 0.002 . 1 . . . . A 2 DA H2 . 36747 1 12 . 1 . 1 2 2 DA H2' H 1 2.607 0.002 . 1 . . . . A 2 DA H2' . 36747 1 13 . 1 . 1 2 2 DA H2'' H 1 2.374 0.002 . 1 . . . . A 2 DA H2'' . 36747 1 14 . 1 . 1 2 2 DA H8 H 1 8.015 0.002 . 1 . . . . A 2 DA H8 . 36747 1 15 . 1 . 1 2 2 DA C1' C 13 86.54 0.01 . 1 . . . . A 2 DA C1' . 36747 1 16 . 1 . 1 2 2 DA C2 C 13 154.6 0.01 . 1 . . . . A 2 DA C2 . 36747 1 17 . 1 . 1 2 2 DA C2' C 13 41.77 0.01 . 1 . . . . A 2 DA C2' . 36747 1 18 . 1 . 1 2 2 DA C8 C 13 141.3 0.01 . 1 . . . . A 2 DA C8 . 36747 1 19 . 1 . 1 3 3 DG H1 H 1 11.74 0.002 . 1 . . . . A 3 DG H1 . 36747 1 20 . 1 . 1 3 3 DG H1' H 1 6.092 0.002 . 1 . . . . A 3 DG H1' . 36747 1 21 . 1 . 1 3 3 DG H2' H 1 3.019 0.002 . 1 . . . . A 3 DG H2' . 36747 1 22 . 1 . 1 3 3 DG H2'' H 1 2.77 0.002 . 1 . . . . A 3 DG H2'' . 36747 1 23 . 1 . 1 3 3 DG H8 H 1 8.049 0.002 . 1 . . . . A 3 DG H8 . 36747 1 24 . 1 . 1 3 3 DG C1' C 13 84.41 0.01 . 1 . . . . A 3 DG C1' . 36747 1 25 . 1 . 1 3 3 DG C2' C 13 40.18 0.01 . 1 . . . . A 3 DG C2' . 36747 1 26 . 1 . 1 3 3 DG C8 C 13 137.9 0.01 . 1 . . . . A 3 DG C8 . 36747 1 27 . 1 . 1 3 3 DG N1 N 15 144 0.02 . 1 . . . . A 3 DG N1 . 36747 1 28 . 1 . 1 4 4 DG H1 H 1 11.46 0.002 . 1 . . . . A 4 DG H1 . 36747 1 29 . 1 . 1 4 4 DG H1' H 1 6.135 0.002 . 1 . . . . A 4 DG H1' . 36747 1 30 . 1 . 1 4 4 DG H2' H 1 2.786 0.002 . 1 . . . . A 4 DG H2' . 36747 1 31 . 1 . 1 4 4 DG H2'' H 1 2.611 0.002 . 1 . . . . A 4 DG H2'' . 36747 1 32 . 1 . 1 4 4 DG H8 H 1 7.685 0.002 . 1 . . . . A 4 DG H8 . 36747 1 33 . 1 . 1 4 4 DG C1' C 13 84.19 0.01 . 1 . . . . A 4 DG C1' . 36747 1 34 . 1 . 1 4 4 DG C2' C 13 42.44 0.01 . 1 . . . . A 4 DG C2' . 36747 1 35 . 1 . 1 4 4 DG C8 C 13 137.3 0.01 . 1 . . . . A 4 DG C8 . 36747 1 36 . 1 . 1 4 4 DG N1 N 15 143.2 0.02 . 1 . . . . A 4 DG N1 . 36747 1 37 . 1 . 1 5 5 DG H1 H 1 10.89 0.002 . 1 . . . . A 5 DG H1 . 36747 1 38 . 1 . 1 5 5 DG H1' H 1 6.207 0.002 . 1 . . . . A 5 DG H1' . 36747 1 39 . 1 . 1 5 5 DG H2' H 1 2.766 0.002 . 1 . . . . A 5 DG H2' . 36747 1 40 . 1 . 1 5 5 DG H2'' H 1 2.542 0.002 . 1 . . . . A 5 DG H2'' . 36747 1 41 . 1 . 1 5 5 DG H8 H 1 7.739 0.002 . 1 . . . . A 5 DG H8 . 36747 1 42 . 1 . 1 5 5 DG C1' C 13 84.59 0.01 . 1 . . . . A 5 DG C1' . 36747 1 43 . 1 . 1 5 5 DG C2' C 13 42.42 0.01 . 1 . . . . A 5 DG C2' . 36747 1 44 . 1 . 1 5 5 DG C8 C 13 137.6 0.01 . 1 . . . . A 5 DG C8 . 36747 1 45 . 1 . 1 5 5 DG N1 N 15 143.8 0.02 . 1 . . . . A 5 DG N1 . 36747 1 46 . 1 . 1 6 6 DT H1' H 1 6.454 0.002 . 1 . . . . A 6 DT H1' . 36747 1 47 . 1 . 1 6 6 DT H2' H 1 2.615 0.002 . 1 . . . . A 6 DT H2' . 36747 1 48 . 1 . 1 6 6 DT H2'' H 1 2.391 0.002 . 1 . . . . A 6 DT H2'' . 36747 1 49 . 1 . 1 6 6 DT H6 H 1 7.801 0.002 . 1 . . . . A 6 DT H6 . 36747 1 50 . 1 . 1 6 6 DT H71 H 1 1.96 0.002 . 1 . . . . A 6 DT H71 . 36747 1 51 . 1 . 1 6 6 DT H72 H 1 1.96 0.002 . 1 . . . . A 6 DT H72 . 36747 1 52 . 1 . 1 6 6 DT H73 H 1 1.96 0.002 . 1 . . . . A 6 DT H73 . 36747 1 53 . 1 . 1 6 6 DT C1' C 13 87.7 0.01 . 1 . . . . A 6 DT C1' . 36747 1 54 . 1 . 1 6 6 DT C2' C 13 41.23 0.01 . 1 . . . . A 6 DT C2' . 36747 1 55 . 1 . 1 6 6 DT C6 C 13 139.9 0.01 . 1 . . . . A 6 DT C6 . 36747 1 56 . 1 . 1 6 6 DT C7 C 13 14.45 0.01 . 1 . . . . A 6 DT C7 . 36747 1 57 . 1 . 1 7 7 DT H1' H 1 6.584 0.002 . 1 . . . . A 7 DT H1' . 36747 1 58 . 1 . 1 7 7 DT H2' H 1 2.67 0.002 . 1 . . . . A 7 DT H2' . 36747 1 59 . 1 . 1 7 7 DT H2'' H 1 2.641 0.002 . 1 . . . . A 7 DT H2'' . 36747 1 60 . 1 . 1 7 7 DT H6 H 1 7.844 0.002 . 1 . . . . A 7 DT H6 . 36747 1 61 . 1 . 1 7 7 DT H71 H 1 2.061 0.002 . 1 . . . . A 7 DT H71 . 36747 1 62 . 1 . 1 7 7 DT H72 H 1 2.061 0.002 . 1 . . . . A 7 DT H72 . 36747 1 63 . 1 . 1 7 7 DT H73 H 1 2.061 0.002 . 1 . . . . A 7 DT H73 . 36747 1 64 . 1 . 1 7 7 DT C1' C 13 87.5 0.01 . 1 . . . . A 7 DT C1' . 36747 1 65 . 1 . 1 7 7 DT C2' C 13 39.62 0.01 . 1 . . . . A 7 DT C2' . 36747 1 66 . 1 . 1 7 7 DT C6 C 13 140.3 0.01 . 1 . . . . A 7 DT C6 . 36747 1 67 . 1 . 1 7 7 DT C7 C 13 14.73 0.01 . 1 . . . . A 7 DT C7 . 36747 1 68 . 1 . 1 8 8 DG H1 H 1 11.58 0.002 . 1 . . . . A 8 DG H1 . 36747 1 69 . 1 . 1 8 8 DG H1' H 1 6.135 0.002 . 1 . . . . A 8 DG H1' . 36747 1 70 . 1 . 1 8 8 DG H2' H 1 2.924 0.002 . 1 . . . . A 8 DG H2' . 36747 1 71 . 1 . 1 8 8 DG H2'' H 1 2.503 0.002 . 1 . . . . A 8 DG H2'' . 36747 1 72 . 1 . 1 8 8 DG H8 H 1 8.033 0.002 . 1 . . . . A 8 DG H8 . 36747 1 73 . 1 . 1 8 8 DG C1' C 13 85.41 0.01 . 1 . . . . A 8 DG C1' . 36747 1 74 . 1 . 1 8 8 DG C2' C 13 42.4 0.01 . 1 . . . . A 8 DG C2' . 36747 1 75 . 1 . 1 8 8 DG C8 C 13 137.7 0.01 . 1 . . . . A 8 DG C8 . 36747 1 76 . 1 . 1 8 8 DG N1 N 15 143.9 0.02 . 1 . . . . A 8 DG N1 . 36747 1 77 . 1 . 1 9 9 DG H1 H 1 11.55 0.002 . 1 . . . . A 9 DG H1 . 36747 1 78 . 1 . 1 9 9 DG H1' H 1 6.175 0.002 . 1 . . . . A 9 DG H1' . 36747 1 79 . 1 . 1 9 9 DG H2' H 1 2.813 0.002 . 1 . . . . A 9 DG H2' . 36747 1 80 . 1 . 1 9 9 DG H2'' H 1 2.657 0.002 . 1 . . . . A 9 DG H2'' . 36747 1 81 . 1 . 1 9 9 DG H8 H 1 7.697 0.002 . 1 . . . . A 9 DG H8 . 36747 1 82 . 1 . 1 9 9 DG C1' C 13 84.08 0.01 . 1 . . . . A 9 DG C1' . 36747 1 83 . 1 . 1 9 9 DG C2' C 13 42.42 0.01 . 1 . . . . A 9 DG C2' . 36747 1 84 . 1 . 1 9 9 DG C8 C 13 137.6 0.01 . 1 . . . . A 9 DG C8 . 36747 1 85 . 1 . 1 9 9 DG N1 N 15 144.3 0.02 . 1 . . . . A 9 DG N1 . 36747 1 86 . 1 . 1 10 10 DG H1 H 1 11.21 0.002 . 1 . . . . A 10 DG H1 . 36747 1 87 . 1 . 1 10 10 DG H1' H 1 6.213 0.002 . 1 . . . . A 10 DG H1' . 36747 1 88 . 1 . 1 10 10 DG H2' H 1 2.759 0.002 . 1 . . . . A 10 DG H2' . 36747 1 89 . 1 . 1 10 10 DG H2'' H 1 2.513 0.002 . 1 . . . . A 10 DG H2'' . 36747 1 90 . 1 . 1 10 10 DG H8 H 1 7.889 0.002 . 1 . . . . A 10 DG H8 . 36747 1 91 . 1 . 1 10 10 DG C1' C 13 84.59 0.01 . 1 . . . . A 10 DG C1' . 36747 1 92 . 1 . 1 10 10 DG C8 C 13 137.9 0.01 . 1 . . . . A 10 DG C8 . 36747 1 93 . 1 . 1 10 10 DG N1 N 15 144.1 0.02 . 1 . . . . A 10 DG N1 . 36747 1 94 . 1 . 1 11 11 DT H1' H 1 6.454 0.002 . 1 . . . . A 11 DT H1' . 36747 1 95 . 1 . 1 11 11 DT H2' H 1 2.615 0.002 . 1 . . . . A 11 DT H2' . 36747 1 96 . 1 . 1 11 11 DT H2'' H 1 2.385 0.002 . 1 . . . . A 11 DT H2'' . 36747 1 97 . 1 . 1 11 11 DT H6 H 1 7.801 0.002 . 1 . . . . A 11 DT H6 . 36747 1 98 . 1 . 1 11 11 DT H71 H 1 1.96 0.002 . 1 . . . . A 11 DT H71 . 36747 1 99 . 1 . 1 11 11 DT H72 H 1 1.96 0.002 . 1 . . . . A 11 DT H72 . 36747 1 100 . 1 . 1 11 11 DT H73 H 1 1.96 0.002 . 1 . . . . A 11 DT H73 . 36747 1 101 . 1 . 1 11 11 DT C1' C 13 87.7 0.01 . 1 . . . . A 11 DT C1' . 36747 1 102 . 1 . 1 11 11 DT C2' C 13 41.23 0.01 . 1 . . . . A 11 DT C2' . 36747 1 103 . 1 . 1 11 11 DT C6 C 13 139.9 0.01 . 1 . . . . A 11 DT C6 . 36747 1 104 . 1 . 1 11 11 DT C7 C 13 14.45 0.01 . 1 . . . . A 11 DT C7 . 36747 1 105 . 1 . 1 12 12 DT H1' H 1 6.623 0.002 . 1 . . . . A 12 DT H1' . 36747 1 106 . 1 . 1 12 12 DT H2' H 1 2.672 0.002 . 1 . . . . A 12 DT H2' . 36747 1 107 . 1 . 1 12 12 DT H2'' H 1 2.672 0.002 . 1 . . . . A 12 DT H2'' . 36747 1 108 . 1 . 1 12 12 DT H6 H 1 7.871 0.002 . 1 . . . . A 12 DT H6 . 36747 1 109 . 1 . 1 12 12 DT H71 H 1 2.077 0.002 . 1 . . . . A 12 DT H71 . 36747 1 110 . 1 . 1 12 12 DT H72 H 1 2.077 0.002 . 1 . . . . A 12 DT H72 . 36747 1 111 . 1 . 1 12 12 DT H73 H 1 2.077 0.002 . 1 . . . . A 12 DT H73 . 36747 1 112 . 1 . 1 12 12 DT C1' C 13 87.41 0.01 . 1 . . . . A 12 DT C1' . 36747 1 113 . 1 . 1 12 12 DT C2' C 13 39.62 0.01 . 1 . . . . A 12 DT C2' . 36747 1 114 . 1 . 1 12 12 DT C6 C 13 140.3 0.01 . 1 . . . . A 12 DT C6 . 36747 1 115 . 1 . 1 12 12 DT C7 C 13 14.76 0.01 . 1 . . . . A 12 DT C7 . 36747 1 116 . 1 . 1 13 13 DG H1 H 1 11.88 0.002 . 1 . . . . A 13 DG H1 . 36747 1 117 . 1 . 1 13 13 DG H1' H 1 6.223 0.002 . 1 . . . . A 13 DG H1' . 36747 1 118 . 1 . 1 13 13 DG H2' H 1 2.974 0.002 . 1 . . . . A 13 DG H2' . 36747 1 119 . 1 . 1 13 13 DG H2'' H 1 2.591 0.002 . 1 . . . . A 13 DG H2'' . 36747 1 120 . 1 . 1 13 13 DG H8 H 1 8.098 0.002 . 1 . . . . A 13 DG H8 . 36747 1 121 . 1 . 1 13 13 DG C1' C 13 85.21 0.01 . 1 . . . . A 13 DG C1' . 36747 1 122 . 1 . 1 13 13 DG C2' C 13 42.32 0.01 . 1 . . . . A 13 DG C2' . 36747 1 123 . 1 . 1 13 13 DG C8 C 13 138.2 0.01 . 1 . . . . A 13 DG C8 . 36747 1 124 . 1 . 1 13 13 DG N1 N 15 144.4 0.02 . 1 . . . . A 13 DG N1 . 36747 1 125 . 1 . 1 14 14 DG H1 H 1 11.43 0.002 . 1 . . . . A 14 DG H1 . 36747 1 126 . 1 . 1 14 14 DG H1' H 1 6.189 0.002 . 1 . . . . A 14 DG H1' . 36747 1 127 . 1 . 1 14 14 DG H2' H 1 2.845 0.002 . 1 . . . . A 14 DG H2' . 36747 1 128 . 1 . 1 14 14 DG H2'' H 1 2.703 0.002 . 1 . . . . A 14 DG H2'' . 36747 1 129 . 1 . 1 14 14 DG H8 H 1 7.726 0.002 . 1 . . . . A 14 DG H8 . 36747 1 130 . 1 . 1 14 14 DG C1' C 13 84.08 0.01 . 1 . . . . A 14 DG C1' . 36747 1 131 . 1 . 1 14 14 DG C2' C 13 42.34 0.01 . 1 . . . . A 14 DG C2' . 36747 1 132 . 1 . 1 14 14 DG C8 C 13 137.5 0.01 . 1 . . . . A 14 DG C8 . 36747 1 133 . 1 . 1 14 14 DG N1 N 15 143.3 0.02 . 1 . . . . A 14 DG N1 . 36747 1 134 . 1 . 1 15 15 DG H1 H 1 11.12 0.002 . 1 . . . . A 15 DG H1 . 36747 1 135 . 1 . 1 15 15 DG H1' H 1 6.22 0.002 . 1 . . . . A 15 DG H1' . 36747 1 136 . 1 . 1 15 15 DG H2' H 1 2.759 0.002 . 1 . . . . A 15 DG H2' . 36747 1 137 . 1 . 1 15 15 DG H2'' H 1 2.514 0.002 . 1 . . . . A 15 DG H2'' . 36747 1 138 . 1 . 1 15 15 DG H8 H 1 7.873 0.002 . 1 . . . . A 15 DG H8 . 36747 1 139 . 1 . 1 15 15 DG C1' C 13 84.56 0.01 . 1 . . . . A 15 DG C1' . 36747 1 140 . 1 . 1 15 15 DG C8 C 13 137.9 0.01 . 1 . . . . A 15 DG C8 . 36747 1 141 . 1 . 1 15 15 DG N1 N 15 144.1 0.02 . 1 . . . . A 15 DG N1 . 36747 1 142 . 1 . 1 16 16 DT H1' H 1 6.454 0.002 . 1 . . . . A 16 DT H1' . 36747 1 143 . 1 . 1 16 16 DT H2' H 1 2.617 0.002 . 1 . . . . A 16 DT H2' . 36747 1 144 . 1 . 1 16 16 DT H2'' H 1 2.398 0.002 . 1 . . . . A 16 DT H2'' . 36747 1 145 . 1 . 1 16 16 DT H6 H 1 7.801 0.002 . 1 . . . . A 16 DT H6 . 36747 1 146 . 1 . 1 16 16 DT H71 H 1 1.96 0.002 . 1 . . . . A 16 DT H71 . 36747 1 147 . 1 . 1 16 16 DT H72 H 1 1.96 0.002 . 1 . . . . A 16 DT H72 . 36747 1 148 . 1 . 1 16 16 DT H73 H 1 1.96 0.002 . 1 . . . . A 16 DT H73 . 36747 1 149 . 1 . 1 16 16 DT C1' C 13 87.7 0.01 . 1 . . . . A 16 DT C1' . 36747 1 150 . 1 . 1 16 16 DT C6 C 13 139.9 0.01 . 1 . . . . A 16 DT C6 . 36747 1 151 . 1 . 1 16 16 DT C7 C 13 14.45 0.01 . 1 . . . . A 16 DT C7 . 36747 1 152 . 1 . 1 17 17 DT H1' H 1 6.593 0.002 . 1 . . . . A 17 DT H1' . 36747 1 153 . 1 . 1 17 17 DT H2' H 1 2.674 0.002 . 1 . . . . A 17 DT H2' . 36747 1 154 . 1 . 1 17 17 DT H2'' H 1 2.643 0.002 . 1 . . . . A 17 DT H2'' . 36747 1 155 . 1 . 1 17 17 DT H6 H 1 7.86 0.002 . 1 . . . . A 17 DT H6 . 36747 1 156 . 1 . 1 17 17 DT H71 H 1 2.076 0.002 . 1 . . . . A 17 DT H71 . 36747 1 157 . 1 . 1 17 17 DT H72 H 1 2.076 0.002 . 1 . . . . A 17 DT H72 . 36747 1 158 . 1 . 1 17 17 DT H73 H 1 2.076 0.002 . 1 . . . . A 17 DT H73 . 36747 1 159 . 1 . 1 17 17 DT C1' C 13 87.5 0.01 . 1 . . . . A 17 DT C1' . 36747 1 160 . 1 . 1 17 17 DT C6 C 13 140.3 0.01 . 1 . . . . A 17 DT C6 . 36747 1 161 . 1 . 1 17 17 DT C7 C 13 14.76 0.01 . 1 . . . . A 17 DT C7 . 36747 1 162 . 1 . 1 18 18 DG H1 H 1 11.32 0.002 . 1 . . . . A 18 DG H1 . 36747 1 163 . 1 . 1 18 18 DG H1' H 1 6.044 0.002 . 1 . . . . A 18 DG H1' . 36747 1 164 . 1 . 1 18 18 DG H2' H 1 2.803 0.002 . 1 . . . . A 18 DG H2' . 36747 1 165 . 1 . 1 18 18 DG H2'' H 1 2.462 0.002 . 1 . . . . A 18 DG H2'' . 36747 1 166 . 1 . 1 18 18 DG H8 H 1 8.005 0.002 . 1 . . . . A 18 DG H8 . 36747 1 167 . 1 . 1 18 18 DG C1' C 13 85.35 0.01 . 1 . . . . A 18 DG C1' . 36747 1 168 . 1 . 1 18 18 DG C2' C 13 42.59 0.01 . 1 . . . . A 18 DG C2' . 36747 1 169 . 1 . 1 18 18 DG C8 C 13 138 0.01 . 1 . . . . A 18 DG C8 . 36747 1 170 . 1 . 1 18 18 DG N1 N 15 143.8 0.02 . 1 . . . . A 18 DG N1 . 36747 1 171 . 1 . 1 19 19 DG H1 H 1 11.3 0.002 . 1 . . . . A 19 DG H1 . 36747 1 172 . 1 . 1 19 19 DG H1' H 1 5.978 0.002 . 1 . . . . A 19 DG H1' . 36747 1 173 . 1 . 1 19 19 DG H2' H 1 2.747 0.002 . 1 . . . . A 19 DG H2' . 36747 1 174 . 1 . 1 19 19 DG H2'' H 1 2.648 0.002 . 1 . . . . A 19 DG H2'' . 36747 1 175 . 1 . 1 19 19 DG H8 H 1 7.684 0.002 . 1 . . . . A 19 DG H8 . 36747 1 176 . 1 . 1 19 19 DG C1' C 13 84.04 0.01 . 1 . . . . A 19 DG C1' . 36747 1 177 . 1 . 1 19 19 DG C2' C 13 42.07 0.01 . 1 . . . . A 19 DG C2' . 36747 1 178 . 1 . 1 19 19 DG C8 C 13 137.3 0.01 . 1 . . . . A 19 DG C8 . 36747 1 179 . 1 . 1 19 19 DG N1 N 15 143.3 0.02 . 1 . . . . A 19 DG N1 . 36747 1 180 . 1 . 1 20 20 DG H1 H 1 10.72 0.002 . 1 . . . . A 20 DG H1 . 36747 1 181 . 1 . 1 20 20 DG H1' H 1 5.929 0.002 . 1 . . . . A 20 DG H1' . 36747 1 182 . 1 . 1 20 20 DG H2' H 1 2.645 0.002 . 1 . . . . A 20 DG H2' . 36747 1 183 . 1 . 1 20 20 DG H2'' H 1 2.379 0.002 . 1 . . . . A 20 DG H2'' . 36747 1 184 . 1 . 1 20 20 DG H8 H 1 7.507 0.002 . 1 . . . . A 20 DG H8 . 36747 1 185 . 1 . 1 20 20 DG C1' C 13 83.99 0.01 . 1 . . . . A 20 DG C1' . 36747 1 186 . 1 . 1 20 20 DG C2' C 13 40.66 0.01 . 1 . . . . A 20 DG C2' . 36747 1 187 . 1 . 1 20 20 DG C8 C 13 136.9 0.01 . 1 . . . . A 20 DG C8 . 36747 1 188 . 1 . 1 20 20 DG N1 N 15 143.9 0.02 . 1 . . . . A 20 DG N1 . 36747 1 189 . 1 . 1 21 21 DA H1' H 1 5.891 0.002 . 1 . . . . A 21 DA H1' . 36747 1 190 . 1 . 1 21 21 DA H2' H 1 2.398 0.002 . 1 . . . . A 21 DA H2' . 36747 1 191 . 1 . 1 21 21 DA H2'' H 1 2.266 0.002 . 1 . . . . A 21 DA H2'' . 36747 1 192 . 1 . 1 21 21 DA H8 H 1 7.983 0.002 . 1 . . . . A 21 DA H8 . 36747 1 193 . 1 . 1 21 21 DA C1' C 13 84.88 0.01 . 1 . . . . A 21 DA C1' . 36747 1 194 . 1 . 1 21 21 DA C2 C 13 154.7 0.01 . 1 . . . . A 21 DA C2 . 36747 1 195 . 1 . 1 21 21 DA C2' C 13 40.88 0.01 . 1 . . . . A 21 DA C2' . 36747 1 196 . 1 . 1 21 21 DA C8 C 13 141.4 0.01 . 1 . . . . A 21 DA C8 . 36747 1 197 . 1 . 1 22 22 DA H1' H 1 5.904 0.002 . 1 . . . . A 22 DA H1' . 36747 1 198 . 1 . 1 22 22 DA H2 H 1 7.512 0.002 . 1 . . . . A 22 DA H2 . 36747 1 199 . 1 . 1 22 22 DA H2' H 1 2.355 0.002 . 1 . . . . A 22 DA H2' . 36747 1 200 . 1 . 1 22 22 DA H2'' H 1 2.294 0.002 . 1 . . . . A 22 DA H2'' . 36747 1 201 . 1 . 1 22 22 DA H8 H 1 7.949 0.002 . 1 . . . . A 22 DA H8 . 36747 1 202 . 1 . 1 22 22 DA C1' C 13 85.94 0.01 . 1 . . . . A 22 DA C1' . 36747 1 203 . 1 . 1 22 22 DA C2 C 13 154.5 0.01 . 1 . . . . A 22 DA C2 . 36747 1 204 . 1 . 1 22 22 DA C2' C 13 42.06 0.01 . 1 . . . . A 22 DA C2' . 36747 1 205 . 1 . 1 22 22 DA C8 C 13 141.6 0.01 . 1 . . . . A 22 DA C8 . 36747 1 stop_ save_