################################### # 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 30253 _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-15N SOFAST-HMQC' . . . 30253 1 2 '2D 1H-13C SOFAST-HMQC' . . . 30253 1 3 '2D 1H-13C HSQC aliphatic' . . . 30253 1 4 '2D 1H-1H NOESY' . . . 30253 1 5 '2D 1H-1H TOCSY' . . . 30253 1 6 '2D DQF-COSY' . . . 30253 1 7 '2D 1H-31P HSQC' . . . 30253 1 8 '2D 1H-13C TROSY' . . . 30253 1 9 '2D 1H-13C TROSY' . . . 30253 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 DG H1' H 1 5.96 0.04 . 6 . . . . A 1 DG H1' . 30253 1 2 . 1 1 1 1 DG H2' H 1 2.74 0.04 . 6 . . . . A 1 DG H2' . 30253 1 3 . 1 1 1 1 DG H2'' H 1 2.61 0.04 . 6 . . . . A 1 DG H2'' . 30253 1 4 . 1 1 1 1 DG H4' H 1 4.2 0.04 . 6 . . . . A 1 DG H4' . 30253 1 5 . 1 1 1 1 DG H8 H 1 7.93 0.04 . 6 . . . . A 1 DG H8 . 30253 1 6 . 1 1 1 1 DG C1' C 13 85.3 0.2 . 6 . . . . A 1 DG C1' . 30253 1 7 . 1 1 1 1 DG C2' C 13 40.3 0.2 . 6 . . . . A 1 DG C2' . 30253 1 8 . 1 1 1 1 DG C4' C 13 89.2 0.2 . 6 . . . . A 1 DG C4' . 30253 1 9 . 1 1 1 1 DG C8 C 13 138.8 0.2 . 6 . . . . A 1 DG C8 . 30253 1 10 . 1 1 2 2 DC H1' H 1 5.65 0.04 . 6 . . . . A 2 DC H1' . 30253 1 11 . 1 1 2 2 DC H2' H 1 2.46 0.04 . 6 . . . . A 2 DC H2' . 30253 1 12 . 1 1 2 2 DC H2'' H 1 2.16 0.04 . 6 . . . . A 2 DC H2'' . 30253 1 13 . 1 1 2 2 DC H4' H 1 4.2 0.04 . 6 . . . . A 2 DC H4' . 30253 1 14 . 1 1 2 2 DC H5 H 1 5.42 0.04 . 6 . . . . A 2 DC H5 . 30253 1 15 . 1 1 2 2 DC H6 H 1 7.44 0.04 . 6 . . . . A 2 DC H6 . 30253 1 16 . 1 1 2 2 DC C1' C 13 86.4 0.2 . 6 . . . . A 2 DC C1' . 30253 1 17 . 1 1 2 2 DC C2' C 13 39.7 0.2 . 6 . . . . A 2 DC C2' . 30253 1 18 . 1 1 2 2 DC C4' C 13 86 0.2 . 6 . . . . A 2 DC C4' . 30253 1 19 . 1 1 2 2 DC C5 C 13 98.5 0.2 . 6 . . . . A 2 DC C5 . 30253 1 20 . 1 1 2 2 DC C6 C 13 142.8 0.2 . 6 . . . . A 2 DC C6 . 30253 1 21 . 1 1 2 2 DC P P 31 -0.61 0.04 . 6 . . . . A 2 DC P . 30253 1 22 . 1 1 3 3 DA H1' H 1 6.28 0.04 . 6 . . . . A 3 DA H1' . 30253 1 23 . 1 1 3 3 DA H2 H 1 7.68 0.04 . 6 . . . . A 3 DA H2 . 30253 1 24 . 1 1 3 3 DA H2' H 1 2.94 0.04 . 6 . . . . A 3 DA H2' . 30253 1 25 . 1 1 3 3 DA H2'' H 1 2.68 0.04 . 6 . . . . A 3 DA H2'' . 30253 1 26 . 1 1 3 3 DA H4' H 1 4.42 0.04 . 6 . . . . A 3 DA H4' . 30253 1 27 . 1 1 3 3 DA H8 H 1 8.32 0.04 . 6 . . . . A 3 DA H8 . 30253 1 28 . 1 1 3 3 DA C1' C 13 85.2 0.2 . 6 . . . . A 3 DA C1' . 30253 1 29 . 1 1 3 3 DA C2 C 13 154.6 0.2 . 6 . . . . A 3 DA C2 . 30253 1 30 . 1 1 3 3 DA C2' C 13 40.8 0.2 . 6 . . . . A 3 DA C2' . 30253 1 31 . 1 1 3 3 DA C4' C 13 87.7 0.2 . 6 . . . . A 3 DA C4' . 30253 1 32 . 1 1 3 3 DA C8 C 13 141.8 0.2 . 6 . . . . A 3 DA C8 . 30253 1 33 . 1 1 3 3 DA P P 31 -0.26 0.04 . 6 . . . . A 3 DA P . 30253 1 34 . 1 1 4 4 DT H1' H 1 5.85 0.04 . 6 . . . . A 4 DT H1' . 30253 1 35 . 1 1 4 4 DT H2' H 1 2.39 0.04 . 6 . . . . A 4 DT H2' . 30253 1 36 . 1 1 4 4 DT H2'' H 1 1.97 0.04 . 6 . . . . A 4 DT H2'' . 30253 1 37 . 1 1 4 4 DT H3 H 1 13.49 0.04 . 6 . . . . A 4 DT H3 . 30253 1 38 . 1 1 4 4 DT H4' H 1 4.14 0.04 . 6 . . . . A 4 DT H4' . 30253 1 39 . 1 1 4 4 DT H6 H 1 7.11 0.04 . 6 . . . . A 4 DT H6 . 30253 1 40 . 1 1 4 4 DT H71 H 1 1.37 0.04 . 6 . . . . A 4 DT H71 . 30253 1 41 . 1 1 4 4 DT H72 H 1 1.37 0.04 . 6 . . . . A 4 DT H72 . 30253 1 42 . 1 1 4 4 DT H73 H 1 1.37 0.04 . 6 . . . . A 4 DT H73 . 30253 1 43 . 1 1 4 4 DT C1' C 13 85 0.2 . 6 . . . . A 4 DT C1' . 30253 1 44 . 1 1 4 4 DT C2' C 13 39.1 0.2 . 6 . . . . A 4 DT C2' . 30253 1 45 . 1 1 4 4 DT C4' C 13 85.1 0.2 . 6 . . . . A 4 DT C4' . 30253 1 46 . 1 1 4 4 DT C6 C 13 138.3 0.2 . 6 . . . . A 4 DT C6 . 30253 1 47 . 1 1 4 4 DT C7 C 13 14.2 0.2 . 6 . . . . A 4 DT C7 . 30253 1 48 . 1 1 4 4 DT N3 N 15 158.9 0.2 . 6 . . . . A 4 DT N3 . 30253 1 49 . 1 1 4 4 DT P P 31 -0.78 0.04 . 6 . . . . A 4 DT P . 30253 1 50 . 1 1 5 5 DC H1' H 1 5.54 0.04 . 6 . . . . A 5 DC H1' . 30253 1 51 . 1 1 5 5 DC H2' H 1 2.32 0.04 . 6 . . . . A 5 DC H2' . 30253 1 52 . 1 1 5 5 DC H2'' H 1 1.92 0.04 . 6 . . . . A 5 DC H2'' . 30253 1 53 . 1 1 5 5 DC H4' H 1 4.06 0.04 . 6 . . . . A 5 DC H4' . 30253 1 54 . 1 1 5 5 DC H5 H 1 5.51 0.04 . 6 . . . . A 5 DC H5 . 30253 1 55 . 1 1 5 5 DC H6 H 1 7.34 0.04 . 6 . . . . A 5 DC H6 . 30253 1 56 . 1 1 5 5 DC C1' C 13 86.4 0.2 . 6 . . . . A 5 DC C1' . 30253 1 57 . 1 1 5 5 DC C2' C 13 39.6 0.2 . 6 . . . . A 5 DC C2' . 30253 1 58 . 1 1 5 5 DC C4' C 13 85.5 0.2 . 6 . . . . A 5 DC C4' . 30253 1 59 . 1 1 5 5 DC C5 C 13 98.8 0.2 . 6 . . . . A 5 DC C5 . 30253 1 60 . 1 1 5 5 DC C6 C 13 143.5 0.2 . 6 . . . . A 5 DC C6 . 30253 1 61 . 1 1 5 5 DC P P 31 -0.54 0.04 . 6 . . . . A 5 DC P . 30253 1 62 . 1 1 6 6 DG H1 H 1 12.48 0.04 . 6 . . . . A 6 DG H1 . 30253 1 63 . 1 1 6 6 DG H1' H 1 5.61 0.04 . 6 . . . . A 6 DG H1' . 30253 1 64 . 1 1 6 6 DG H2' H 1 2.77 0.04 . 6 . . . . A 6 DG H2' . 30253 1 65 . 1 1 6 6 DG H2'' H 1 2.66 0.04 . 6 . . . . A 6 DG H2'' . 30253 1 66 . 1 1 6 6 DG H4' H 1 4.31 0.04 . 6 . . . . A 6 DG H4' . 30253 1 67 . 1 1 6 6 DG H8 H 1 7.84 0.04 . 6 . . . . A 6 DG H8 . 30253 1 68 . 1 1 6 6 DG C1' C 13 83.9 0.2 . 6 . . . . A 6 DG C1' . 30253 1 69 . 1 1 6 6 DG C2' C 13 40.5 0.2 . 6 . . . . A 6 DG C2' . 30253 1 70 . 1 1 6 6 DG C4' C 13 87.2 0.2 . 6 . . . . A 6 DG C4' . 30253 1 71 . 1 1 6 6 DG C8 C 13 138.2 0.2 . 6 . . . . A 6 DG C8 . 30253 1 72 . 1 1 6 6 DG N1 N 15 146.9 0.2 . 6 . . . . A 6 DG N1 . 30253 1 73 . 1 1 6 6 DG P P 31 -0.37 0.04 . 6 . . . . A 6 DG P . 30253 1 74 . 1 1 7 7 DA H1' H 1 6.17 0.04 . 6 . . . . A 7 DA H1' . 30253 1 75 . 1 1 7 7 DA H2 H 1 7.65 0.04 . 6 . . . . A 7 DA H2 . 30253 1 76 . 1 1 7 7 DA H2' H 1 2.89 0.04 . 6 . . . . A 7 DA H2' . 30253 1 77 . 1 1 7 7 DA H2'' H 1 2.59 0.04 . 6 . . . . A 7 DA H2'' . 30253 1 78 . 1 1 7 7 DA H4' H 1 4.42 0.04 . 6 . . . . A 7 DA H4' . 30253 1 79 . 1 1 7 7 DA H8 H 1 8.1 0.04 . 6 . . . . A 7 DA H8 . 30253 1 80 . 1 1 7 7 DA C1' C 13 85.1 0.2 . 6 . . . . A 7 DA C1' . 30253 1 81 . 1 1 7 7 DA C2 C 13 154.6 0.2 . 6 . . . . A 7 DA C2 . 30253 1 82 . 1 1 7 7 DA C2' C 13 41.6 0.2 . 6 . . . . A 7 DA C2' . 30253 1 83 . 1 1 7 7 DA C4' C 13 87.4 0.2 . 6 . . . . A 7 DA C4' . 30253 1 84 . 1 1 7 7 DA C8 C 13 141.2 0.2 . 6 . . . . A 7 DA C8 . 30253 1 85 . 1 1 7 7 DA P P 31 -0.66 0.04 . 6 . . . . A 7 DA P . 30253 1 86 . 1 1 8 8 DT H1' H 1 5.87 0.04 . 6 . . . . A 8 DT H1' . 30253 1 87 . 1 1 8 8 DT H2' H 1 2.46 0.04 . 6 . . . . A 8 DT H2' . 30253 1 88 . 1 1 8 8 DT H2'' H 1 1.91 0.04 . 6 . . . . A 8 DT H2'' . 30253 1 89 . 1 1 8 8 DT H3 H 1 13.63 0.04 . 6 . . . . A 8 DT H3 . 30253 1 90 . 1 1 8 8 DT H4' H 1 4.13 0.04 . 6 . . . . A 8 DT H4' . 30253 1 91 . 1 1 8 8 DT H6 H 1 7.09 0.04 . 6 . . . . A 8 DT H6 . 30253 1 92 . 1 1 8 8 DT H71 H 1 1.26 0.04 . 6 . . . . A 8 DT H71 . 30253 1 93 . 1 1 8 8 DT H72 H 1 1.26 0.04 . 6 . . . . A 8 DT H72 . 30253 1 94 . 1 1 8 8 DT H73 H 1 1.26 0.04 . 6 . . . . A 8 DT H73 . 30253 1 95 . 1 1 8 8 DT C1' C 13 85.1 0.2 . 6 . . . . A 8 DT C1' . 30253 1 96 . 1 1 8 8 DT C2' C 13 39.1 0.2 . 6 . . . . A 8 DT C2' . 30253 1 97 . 1 1 8 8 DT C4' C 13 85.2 0.2 . 6 . . . . A 8 DT C4' . 30253 1 98 . 1 1 8 8 DT C6 C 13 138.3 0.2 . 6 . . . . A 8 DT C6 . 30253 1 99 . 1 1 8 8 DT C7 C 13 14 0.2 . 6 . . . . A 8 DT C7 . 30253 1 100 . 1 1 8 8 DT N3 N 15 159.1 0.2 . 6 . . . . A 8 DT N3 . 30253 1 101 . 1 1 8 8 DT P P 31 -0.78 0.04 . 6 . . . . A 8 DT P . 30253 1 102 . 1 1 9 9 DT H1' H 1 5.75 0.04 . 6 . . . . A 9 DT H1' . 30253 1 103 . 1 1 9 9 DT H2' H 1 2.35 0.04 . 6 . . . . A 9 DT H2' . 30253 1 104 . 1 1 9 9 DT H2'' H 1 1.98 0.04 . 6 . . . . A 9 DT H2'' . 30253 1 105 . 1 1 9 9 DT H3 H 1 13.75 0.04 . 6 . . . . A 9 DT H3 . 30253 1 106 . 1 1 9 9 DT H4' H 1 4.07 0.04 . 6 . . . . A 9 DT H4' . 30253 1 107 . 1 1 9 9 DT H6 H 1 7.2 0.04 . 6 . . . . A 9 DT H6 . 30253 1 108 . 1 1 9 9 DT H71 H 1 1.55 0.04 . 6 . . . . A 9 DT H71 . 30253 1 109 . 1 1 9 9 DT H72 H 1 1.55 0.04 . 6 . . . . A 9 DT H72 . 30253 1 110 . 1 1 9 9 DT H73 H 1 1.55 0.04 . 6 . . . . A 9 DT H73 . 30253 1 111 . 1 1 9 9 DT C1' C 13 85.3 0.2 . 6 . . . . A 9 DT C1' . 30253 1 112 . 1 1 9 9 DT C2' C 13 39 0.2 . 6 . . . . A 9 DT C2' . 30253 1 113 . 1 1 9 9 DT C4' C 13 85.5 0.2 . 6 . . . . A 9 DT C4' . 30253 1 114 . 1 1 9 9 DT C6 C 13 139.5 0.2 . 6 . . . . A 9 DT C6 . 30253 1 115 . 1 1 9 9 DT C7 C 13 14.6 0.2 . 6 . . . . A 9 DT C7 . 30253 1 116 . 1 1 9 9 DT N3 N 15 159.2 0.2 . 6 . . . . A 9 DT N3 . 30253 1 117 . 1 1 9 9 DT P P 31 -0.78 0.04 . 6 . . . . A 9 DT P . 30253 1 118 . 1 1 10 10 DG H1 H 1 12.81 0.04 . 6 . . . . A 10 DG H1 . 30253 1 119 . 1 1 10 10 DG H1' H 1 5.58 0.04 . 6 . . . . A 10 DG H1' . 30253 1 120 . 1 1 10 10 DG H2' H 1 2.69 0.04 . 6 . . . . A 10 DG H2' . 30253 1 121 . 1 1 10 10 DG H2'' H 1 2.64 0.04 . 6 . . . . A 10 DG H2'' . 30253 1 122 . 1 1 10 10 DG H4' H 1 4.32 0.04 . 6 . . . . A 10 DG H4' . 30253 1 123 . 1 1 10 10 DG H8 H 1 7.8 0.04 . 6 . . . . A 10 DG H8 . 30253 1 124 . 1 1 10 10 DG C1' C 13 84.1 0.2 . 6 . . . . A 10 DG C1' . 30253 1 125 . 1 1 10 10 DG C2' C 13 40.2 0.2 . 6 . . . . A 10 DG C2' . 30253 1 126 . 1 1 10 10 DG C4' C 13 87.1 0.2 . 6 . . . . A 10 DG C4' . 30253 1 127 . 1 1 10 10 DG C8 C 13 138.4 0.2 . 6 . . . . A 10 DG C8 . 30253 1 128 . 1 1 10 10 DG N1 N 15 147.3 0.2 . 6 . . . . A 10 DG N1 . 30253 1 129 . 1 1 10 10 DG P P 31 -0.49 0.04 . 6 . . . . A 10 DG P . 30253 1 130 . 1 1 11 11 DG H1 H 1 13.06 0.04 . 6 . . . . A 11 DG H1 . 30253 1 131 . 1 1 11 11 DG H1' H 1 5.93 0.04 . 6 . . . . A 11 DG H1' . 30253 1 132 . 1 1 11 11 DG H2' H 1 2.69 0.04 . 6 . . . . A 11 DG H2' . 30253 1 133 . 1 1 11 11 DG H2'' H 1 2.51 0.04 . 6 . . . . A 11 DG H2'' . 30253 1 134 . 1 1 11 11 DG H4' H 1 4.35 0.04 . 6 . . . . A 11 DG H4' . 30253 1 135 . 1 1 11 11 DG H8 H 1 7.71 0.04 . 6 . . . . A 11 DG H8 . 30253 1 136 . 1 1 11 11 DG C1' C 13 84.7 0.2 . 6 . . . . A 11 DG C1' . 30253 1 137 . 1 1 11 11 DG C2' C 13 41 0.2 . 6 . . . . A 11 DG C2' . 30253 1 138 . 1 1 11 11 DG C4' C 13 86.8 0.2 . 6 . . . . A 11 DG C4' . 30253 1 139 . 1 1 11 11 DG C8 C 13 137.5 0.2 . 6 . . . . A 11 DG C8 . 30253 1 140 . 1 1 11 11 DG N1 N 15 147.6 0.2 . 6 . . . . A 11 DG N1 . 30253 1 141 . 1 1 11 11 DG P P 31 -0.24 0.04 . 6 . . . . A 11 DG P . 30253 1 142 . 1 1 12 12 DC H1' H 1 6.15 0.04 . 6 . . . . A 12 DC H1' . 30253 1 143 . 1 1 12 12 DC H2' H 1 2.14 0.04 . 6 . . . . A 12 DC H2' . 30253 1 144 . 1 1 12 12 DC H4' H 1 4 0.04 . 6 . . . . A 12 DC H4' . 30253 1 145 . 1 1 12 12 DC H5 H 1 5.41 0.04 . 6 . . . . A 12 DC H5 . 30253 1 146 . 1 1 12 12 DC H6 H 1 7.4 0.04 . 6 . . . . A 12 DC H6 . 30253 1 147 . 1 1 12 12 DC C1' C 13 86.5 0.2 . 6 . . . . A 12 DC C1' . 30253 1 148 . 1 1 12 12 DC C2' C 13 41.6 0.2 . 6 . . . . A 12 DC C2' . 30253 1 149 . 1 1 12 12 DC C4' C 13 86.6 0.2 . 6 . . . . A 12 DC C4' . 30253 1 150 . 1 1 12 12 DC C5 C 13 98.5 0.2 . 6 . . . . A 12 DC C5 . 30253 1 151 . 1 1 12 12 DC C6 C 13 143.2 0.2 . 6 . . . . A 12 DC C6 . 30253 1 152 . 1 1 12 12 DC P P 31 -0.39 0.04 . 6 . . . . A 12 DC P . 30253 1 153 . 2 2 1 1 DG H1' H 1 5.96 0.04 . 6 . . . . B 13 DG H1' . 30253 1 154 . 2 2 1 1 DG H2' H 1 2.76 0.04 . 6 . . . . B 13 DG H2' . 30253 1 155 . 2 2 1 1 DG H2'' H 1 2.59 0.04 . 6 . . . . B 13 DG H2'' . 30253 1 156 . 2 2 1 1 DG H4' H 1 4.21 0.04 . 6 . . . . B 13 DG H4' . 30253 1 157 . 2 2 1 1 DG H8 H 1 7.92 0.04 . 6 . . . . B 13 DG H8 . 30253 1 158 . 2 2 1 1 DG C1' C 13 85.2 0.2 . 6 . . . . B 13 DG C1' . 30253 1 159 . 2 2 1 1 DG C2' C 13 40.1 0.2 . 6 . . . . B 13 DG C2' . 30253 1 160 . 2 2 1 1 DG C4' C 13 89.1 0.2 . 6 . . . . B 13 DG C4' . 30253 1 161 . 2 2 1 1 DG C8 C 13 138.7 0.2 . 6 . . . . B 13 DG C8 . 30253 1 162 . 2 2 2 2 DC H1' H 1 6.02 0.04 . 6 . . . . B 14 DC H1' . 30253 1 163 . 2 2 2 2 DC H2' H 1 2.44 0.04 . 6 . . . . B 14 DC H2' . 30253 1 164 . 2 2 2 2 DC H2'' H 1 2.1 0.04 . 6 . . . . B 14 DC H2'' . 30253 1 165 . 2 2 2 2 DC H4' H 1 4.2 0.04 . 6 . . . . B 14 DC H4' . 30253 1 166 . 2 2 2 2 DC H5 H 1 5.36 0.04 . 6 . . . . B 14 DC H5 . 30253 1 167 . 2 2 2 2 DC H6 H 1 7.43 0.04 . 6 . . . . B 14 DC H6 . 30253 1 168 . 2 2 2 2 DC C1' C 13 86.7 0.2 . 6 . . . . B 14 DC C1' . 30253 1 169 . 2 2 2 2 DC C2' C 13 39.7 0.2 . 6 . . . . B 14 DC C2' . 30253 1 170 . 2 2 2 2 DC C4' C 13 86.1 0.2 . 6 . . . . B 14 DC C4' . 30253 1 171 . 2 2 2 2 DC C5 C 13 98.9 0.2 . 6 . . . . B 14 DC C5 . 30253 1 172 . 2 2 2 2 DC C6 C 13 142.8 0.2 . 6 . . . . B 14 DC C6 . 30253 1 173 . 2 2 2 2 DC P P 31 -0.61 0.04 . 6 . . . . B 14 DC P . 30253 1 174 . 2 2 3 3 DC H1' H 1 5.33 0.04 . 6 . . . . B 15 DC H1' . 30253 1 175 . 2 2 3 3 DC H2' H 1 2.3 0.04 . 6 . . . . B 15 DC H2' . 30253 1 176 . 2 2 3 3 DC H2'' H 1 2 0.04 . 6 . . . . B 15 DC H2'' . 30253 1 177 . 2 2 3 3 DC H4' H 1 4.06 0.04 . 6 . . . . B 15 DC H4' . 30253 1 178 . 2 2 3 3 DC H5 H 1 5.6 0.04 . 6 . . . . B 15 DC H5 . 30253 1 179 . 2 2 3 3 DC H6 H 1 7.43 0.04 . 6 . . . . B 15 DC H6 . 30253 1 180 . 2 2 3 3 DC C1' C 13 86.3 0.2 . 6 . . . . B 15 DC C1' . 30253 1 181 . 2 2 3 3 DC C2' C 13 39.3 0.2 . 6 . . . . B 15 DC C2' . 30253 1 182 . 2 2 3 3 DC C4' C 13 85.5 0.2 . 6 . . . . B 15 DC C4' . 30253 1 183 . 2 2 3 3 DC C5 C 13 98.9 0.2 . 6 . . . . B 15 DC C5 . 30253 1 184 . 2 2 3 3 DC C6 C 13 143.3 0.2 . 6 . . . . B 15 DC C6 . 30253 1 185 . 2 2 3 3 DC P P 31 -0.53 0.04 . 6 . . . . B 15 DC P . 30253 1 186 . 2 2 4 4 DA H1' H 1 5.93 0.04 . 6 . . . . B 16 DA H1' . 30253 1 187 . 2 2 4 4 DA H2 H 1 7.19 0.04 . 6 . . . . B 16 DA H2 . 30253 1 188 . 2 2 4 4 DA H2' H 1 2.9 0.04 . 6 . . . . B 16 DA H2' . 30253 1 189 . 2 2 4 4 DA H2'' H 1 2.76 0.04 . 6 . . . . B 16 DA H2'' . 30253 1 190 . 2 2 4 4 DA H4' H 1 4.39 0.04 . 6 . . . . B 16 DA H4' . 30253 1 191 . 2 2 4 4 DA H8 H 1 8.22 0.04 . 6 . . . . B 16 DA H8 . 30253 1 192 . 2 2 4 4 DA C1' C 13 84.6 0.2 . 6 . . . . B 16 DA C1' . 30253 1 193 . 2 2 4 4 DA C2 C 13 154 0.2 . 6 . . . . B 16 DA C2 . 30253 1 194 . 2 2 4 4 DA C2' C 13 40.5 0.2 . 6 . . . . B 16 DA C2' . 30253 1 195 . 2 2 4 4 DA C4' C 13 87.6 0.2 . 6 . . . . B 16 DA C4' . 30253 1 196 . 2 2 4 4 DA C8 C 13 141.6 0.2 . 6 . . . . B 16 DA C8 . 30253 1 197 . 2 2 4 4 DA P P 31 -0.22 0.04 . 6 . . . . B 16 DA P . 30253 1 198 . 2 2 5 5 DA H1' H 1 6.13 0.04 . 6 . . . . B 17 DA H1' . 30253 1 199 . 2 2 5 5 DA H2 H 1 7.57 0.04 . 6 . . . . B 17 DA H2 . 30253 1 200 . 2 2 5 5 DA H2' H 1 2.86 0.04 . 6 . . . . B 17 DA H2' . 30253 1 201 . 2 2 5 5 DA H2'' H 1 2.52 0.04 . 6 . . . . B 17 DA H2'' . 30253 1 202 . 2 2 5 5 DA H4' H 1 4.43 0.04 . 6 . . . . B 17 DA H4' . 30253 1 203 . 2 2 5 5 DA H8 H 1 8.13 0.04 . 6 . . . . B 17 DA H8 . 30253 1 204 . 2 2 5 5 DA C1' C 13 84.7 0.2 . 6 . . . . B 17 DA C1' . 30253 1 205 . 2 2 5 5 DA C2 C 13 154.5 0.2 . 6 . . . . B 17 DA C2 . 30253 1 206 . 2 2 5 5 DA C2' C 13 41.2 0.2 . 6 . . . . B 17 DA C2' . 30253 1 207 . 2 2 5 5 DA C4' C 13 87 0.2 . 6 . . . . B 17 DA C4' . 30253 1 208 . 2 2 5 5 DA C8 C 13 141.1 0.2 . 6 . . . . B 17 DA C8 . 30253 1 209 . 2 2 5 5 DA P P 31 -0.55 0.04 . 6 . . . . B 17 DA P . 30253 1 210 . 2 2 6 6 DT H1' H 1 5.77 0.04 . 6 . . . . B 18 DT H1' . 30253 1 211 . 2 2 6 6 DT H2' H 1 2.37 0.04 . 6 . . . . B 18 DT H2' . 30253 1 212 . 2 2 6 6 DT H2'' H 1 1.93 0.04 . 6 . . . . B 18 DT H2'' . 30253 1 213 . 2 2 6 6 DT H3 H 1 13.46 0.04 . 6 . . . . B 18 DT H3 . 30253 1 214 . 2 2 6 6 DT H4' H 1 4.11 0.04 . 6 . . . . B 18 DT H4' . 30253 1 215 . 2 2 6 6 DT H6 H 1 7.02 0.04 . 6 . . . . B 18 DT H6 . 30253 1 216 . 2 2 6 6 DT H71 H 1 1.27 0.04 . 6 . . . . B 18 DT H71 . 30253 1 217 . 2 2 6 6 DT H72 H 1 1.27 0.04 . 6 . . . . B 18 DT H72 . 30253 1 218 . 2 2 6 6 DT H73 H 1 1.27 0.04 . 6 . . . . B 18 DT H73 . 30253 1 219 . 2 2 6 6 DT C1' C 13 85 0.2 . 6 . . . . B 18 DT C1' . 30253 1 220 . 2 2 6 6 DT C2' C 13 39.3 0.2 . 6 . . . . B 18 DT C2' . 30253 1 221 . 2 2 6 6 DT C4' C 13 85.2 0.2 . 6 . . . . B 18 DT C4' . 30253 1 222 . 2 2 6 6 DT C6 C 13 138.3 0.2 . 6 . . . . B 18 DT C6 . 30253 1 223 . 2 2 6 6 DT C7 C 13 14 0.2 . 6 . . . . B 18 DT C7 . 30253 1 224 . 2 2 6 6 DT N3 N 15 159.1 0.2 . 6 . . . . B 18 DT N3 . 30253 1 225 . 2 2 6 6 DT P P 31 -0.77 0.04 . 6 . . . . B 18 DT P . 30253 1 226 . 2 2 7 7 DC H1' H 1 5.59 0.04 . 6 . . . . B 19 DC H1' . 30253 1 227 . 2 2 7 7 DC H2' H 1 2.32 0.04 . 6 . . . . B 19 DC H2' . 30253 1 228 . 2 2 7 7 DC H2'' H 1 1.91 0.04 . 6 . . . . B 19 DC H2'' . 30253 1 229 . 2 2 7 7 DC H4' H 1 4.06 0.04 . 6 . . . . B 19 DC H4' . 30253 1 230 . 2 2 7 7 DC H5 H 1 5.47 0.04 . 6 . . . . B 19 DC H5 . 30253 1 231 . 2 2 7 7 DC H6 H 1 7.31 0.04 . 6 . . . . B 19 DC H6 . 30253 1 232 . 2 2 7 7 DC C1' C 13 86.4 0.2 . 6 . . . . B 19 DC C1' . 30253 1 233 . 2 2 7 7 DC C2' C 13 39.7 0.2 . 6 . . . . B 19 DC C2' . 30253 1 234 . 2 2 7 7 DC C4' C 13 85.7 0.2 . 6 . . . . B 19 DC C4' . 30253 1 235 . 2 2 7 7 DC C5 C 13 98.7 0.2 . 6 . . . . B 19 DC C5 . 30253 1 236 . 2 2 7 7 DC C6 C 13 143.5 0.2 . 6 . . . . B 19 DC C6 . 30253 1 237 . 2 2 7 7 DC P P 31 -0.59 0.04 . 6 . . . . B 19 DC P . 30253 1 238 . 2 2 8 8 DG H1 H 1 12.52 0.04 . 6 . . . . B 20 DG H1 . 30253 1 239 . 2 2 8 8 DG H1' H 1 5.57 0.04 . 6 . . . . B 20 DG H1' . 30253 1 240 . 2 2 8 8 DG H2' H 1 2.75 0.04 . 6 . . . . B 20 DG H2' . 30253 1 241 . 2 2 8 8 DG H2'' H 1 2.64 0.04 . 6 . . . . B 20 DG H2'' . 30253 1 242 . 2 2 8 8 DG H4' H 1 4.3 0.04 . 6 . . . . B 20 DG H4' . 30253 1 243 . 2 2 8 8 DG H8 H 1 7.83 0.04 . 6 . . . . B 20 DG H8 . 30253 1 244 . 2 2 8 8 DG C1' C 13 83.9 0.2 . 6 . . . . B 20 DG C1' . 30253 1 245 . 2 2 8 8 DG C2' C 13 40.5 0.2 . 6 . . . . B 20 DG C2' . 30253 1 246 . 2 2 8 8 DG C4' C 13 87.3 0.2 . 6 . . . . B 20 DG C4' . 30253 1 247 . 2 2 8 8 DG C8 C 13 138.2 0.2 . 6 . . . . B 20 DG C8 . 30253 1 248 . 2 2 8 8 DG N1 N 15 147 0.2 . 6 . . . . B 20 DG N1 . 30253 1 249 . 2 2 8 8 DG P P 31 -0.44 0.04 . 6 . . . . B 20 DG P . 30253 1 250 . 2 2 9 9 DA H1' H 1 6.17 0.04 . 6 . . . . B 21 DA H1' . 30253 1 251 . 2 2 9 9 DA H2 H 1 7.7 0.04 . 6 . . . . B 21 DA H2 . 30253 1 252 . 2 2 9 9 DA H2' H 1 2.87 0.04 . 6 . . . . B 21 DA H2' . 30253 1 253 . 2 2 9 9 DA H2'' H 1 2.56 0.04 . 6 . . . . B 21 DA H2'' . 30253 1 254 . 2 2 9 9 DA H4' H 1 4.41 0.04 . 6 . . . . B 21 DA H4' . 30253 1 255 . 2 2 9 9 DA H8 H 1 8.12 0.04 . 6 . . . . B 21 DA H8 . 30253 1 256 . 2 2 9 9 DA C1' C 13 85 0.2 . 6 . . . . B 21 DA C1' . 30253 1 257 . 2 2 9 9 DA C2 C 13 154.7 0.2 . 6 . . . . B 21 DA C2 . 30253 1 258 . 2 2 9 9 DA C2' C 13 41.4 0.2 . 6 . . . . B 21 DA C2' . 30253 1 259 . 2 2 9 9 DA C4' C 13 87.4 0.2 . 6 . . . . B 21 DA C4' . 30253 1 260 . 2 2 9 9 DA C8 C 13 141.1 0.2 . 6 . . . . B 21 DA C8 . 30253 1 261 . 2 2 9 9 DA P P 31 -0.56 0.04 . 6 . . . . B 21 DA P . 30253 1 262 . 2 2 10 10 DT H1' H 1 5.71 0.04 . 6 . . . . B 22 DT H1' . 30253 1 263 . 2 2 10 10 DT H2' H 1 2.31 0.04 . 6 . . . . B 22 DT H2' . 30253 1 264 . 2 2 10 10 DT H2'' H 1 1.9 0.04 . 6 . . . . B 22 DT H2'' . 30253 1 265 . 2 2 10 10 DT H3 H 1 13.49 0.04 . 6 . . . . B 22 DT H3 . 30253 1 266 . 2 2 10 10 DT H4' H 1 4.09 0.04 . 6 . . . . B 22 DT H4' . 30253 1 267 . 2 2 10 10 DT H6 H 1 7.01 0.04 . 6 . . . . B 22 DT H6 . 30253 1 268 . 2 2 10 10 DT H71 H 1 1.34 0.04 . 6 . . . . B 22 DT H71 . 30253 1 269 . 2 2 10 10 DT H72 H 1 1.34 0.04 . 6 . . . . B 22 DT H72 . 30253 1 270 . 2 2 10 10 DT H73 H 1 1.34 0.04 . 6 . . . . B 22 DT H73 . 30253 1 271 . 2 2 10 10 DT C1' C 13 84.9 0.2 . 6 . . . . B 22 DT C1' . 30253 1 272 . 2 2 10 10 DT C2' C 13 39.5 0.2 . 6 . . . . B 22 DT C2' . 30253 1 273 . 2 2 10 10 DT C4' C 13 85 0.2 . 6 . . . . B 22 DT C4' . 30253 1 274 . 2 2 10 10 DT C6 C 13 138 0.2 . 6 . . . . B 22 DT C6 . 30253 1 275 . 2 2 10 10 DT C7 C 13 14.2 0.2 . 6 . . . . B 22 DT C7 . 30253 1 276 . 2 2 10 10 DT N3 N 15 159 0.2 . 6 . . . . B 22 DT N3 . 30253 1 277 . 2 2 10 10 DT P P 31 -0.74 0.04 . 6 . . . . B 22 DT P . 30253 1 278 . 2 2 11 11 DG H1 H 1 12.75 0.04 . 6 . . . . B 23 DG H1 . 30253 1 279 . 2 2 11 11 DG H1' H 1 5.89 0.04 . 6 . . . . B 23 DG H1' . 30253 1 280 . 2 2 11 11 DG H2' H 1 2.66 0.04 . 6 . . . . B 23 DG H2' . 30253 1 281 . 2 2 11 11 DG H2'' H 1 2.56 0.04 . 6 . . . . B 23 DG H2'' . 30253 1 282 . 2 2 11 11 DG H4' H 1 4.32 0.04 . 6 . . . . B 23 DG H4' . 30253 1 283 . 2 2 11 11 DG H8 H 1 7.81 0.04 . 6 . . . . B 23 DG H8 . 30253 1 284 . 2 2 11 11 DG C1' C 13 84.5 0.2 . 6 . . . . B 23 DG C1' . 30253 1 285 . 2 2 11 11 DG C2' C 13 40.5 0.2 . 6 . . . . B 23 DG C2' . 30253 1 286 . 2 2 11 11 DG C4' C 13 86.9 0.2 . 6 . . . . B 23 DG C4' . 30253 1 287 . 2 2 11 11 DG C8 C 13 138.2 0.2 . 6 . . . . B 23 DG C8 . 30253 1 288 . 2 2 11 11 DG N1 N 15 147.7 0.2 . 6 . . . . B 23 DG N1 . 30253 1 289 . 2 2 11 11 DG P P 31 -0.55 0.04 . 6 . . . . B 23 DG P . 30253 1 290 . 2 2 12 12 DC H1' H 1 6.16 0.04 . 6 . . . . B 24 DC H1' . 30253 1 291 . 2 2 12 12 DC H2' H 1 2.16 0.04 . 6 . . . . B 24 DC H2' . 30253 1 292 . 2 2 12 12 DC H4' H 1 4.03 0.04 . 6 . . . . B 24 DC H4' . 30253 1 293 . 2 2 12 12 DC H5 H 1 5.43 0.04 . 6 . . . . B 24 DC H5 . 30253 1 294 . 2 2 12 12 DC H6 H 1 7.43 0.04 . 6 . . . . B 24 DC H6 . 30253 1 295 . 2 2 12 12 DC C1' C 13 86.6 0.2 . 6 . . . . B 24 DC C1' . 30253 1 296 . 2 2 12 12 DC C2' C 13 41.6 0.2 . 6 . . . . B 24 DC C2' . 30253 1 297 . 2 2 12 12 DC C4' C 13 86.7 0.2 . 6 . . . . B 24 DC C4' . 30253 1 298 . 2 2 12 12 DC C5 C 13 98.5 0.2 . 6 . . . . B 24 DC C5 . 30253 1 299 . 2 2 12 12 DC C6 C 13 143.3 0.2 . 6 . . . . B 24 DC C6 . 30253 1 300 . 2 2 12 12 DC P P 31 -0.3 0.04 . 6 . . . . B 24 DC P . 30253 1 stop_ save_