################################### # 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 34086 _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 NOESY' . . . 34086 1 2 '2D NOESY' . . . 34086 1 3 '2D COSY' . . . 34086 1 4 '2D COSY' . . . 34086 1 5 '2D 1H-13C HSQC aliphatic' . . . 34086 1 6 '2D 1H-13C HSQC aromatic' . . . 34086 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 DT H1' H 1 5.89 0.02 . 1 . . . A 1 DT H1' . 34086 1 2 . 1 1 1 1 DT H2' H 1 1.99 0.02 . 2 . . . A 1 DT H2' . 34086 1 3 . 1 1 1 1 DT H2'' H 1 2.28 0.02 . 2 . . . A 1 DT H2'' . 34086 1 4 . 1 1 1 1 DT H3' H 1 4.57 0.02 . 1 . . . A 1 DT H3' . 34086 1 5 . 1 1 1 1 DT H4' H 1 3.93 0.02 . 1 . . . A 1 DT H4' . 34086 1 6 . 1 1 1 1 DT H5' H 1 3.74 0.02 . 2 . . . A 1 DT H5' . 34086 1 7 . 1 1 1 1 DT H5'' H 1 3.58 0.02 . 2 . . . A 1 DT H5'' . 34086 1 8 . 1 1 1 1 DT H6 H 1 7.35 0.02 . 1 . . . A 1 DT H6 . 34086 1 9 . 1 1 1 1 DT H71 H 1 1.57 0.02 . 1 . . . A 1 DT H71 . 34086 1 10 . 1 1 1 1 DT H72 H 1 1.57 0.02 . 1 . . . A 1 DT H72 . 34086 1 11 . 1 1 1 1 DT H73 H 1 1.57 0.02 . 1 . . . A 1 DT H73 . 34086 1 12 . 1 1 2 2 DT H1' H 1 5.63 0.02 . 1 . . . A 2 DT H1' . 34086 1 13 . 1 1 2 2 DT H2' H 1 1.70 0.02 . 2 . . . A 2 DT H2' . 34086 1 14 . 1 1 2 2 DT H2'' H 1 1.99 0.02 . 2 . . . A 2 DT H2'' . 34086 1 15 . 1 1 2 2 DT H3' H 1 4.62 0.02 . 1 . . . A 2 DT H3' . 34086 1 16 . 1 1 2 2 DT H4' H 1 3.97 0.02 . 1 . . . A 2 DT H4' . 34086 1 17 . 1 1 2 2 DT H5' H 1 3.78 0.02 . 2 . . . A 2 DT H5' . 34086 1 18 . 1 1 2 2 DT H5'' H 1 3.74 0.02 . 2 . . . A 2 DT H5'' . 34086 1 19 . 1 1 2 2 DT H6 H 1 7.20 0.02 . 1 . . . A 2 DT H6 . 34086 1 20 . 1 1 2 2 DT H71 H 1 1.64 0.02 . 1 . . . A 2 DT H71 . 34086 1 21 . 1 1 2 2 DT H72 H 1 1.64 0.02 . 1 . . . A 2 DT H72 . 34086 1 22 . 1 1 2 2 DT H73 H 1 1.64 0.02 . 1 . . . A 2 DT H73 . 34086 1 23 . 1 1 3 3 DA H1' H 1 5.66 0.02 . 1 . . . A 3 DA H1' . 34086 1 24 . 1 1 3 3 DA H2 H 1 7.80 0.02 . 1 . . . A 3 DA H2 . 34086 1 25 . 1 1 3 3 DA H2' H 1 2.73 0.02 . 2 . . . A 3 DA H2' . 34086 1 26 . 1 1 3 3 DA H2'' H 1 2.62 0.02 . 2 . . . A 3 DA H2'' . 34086 1 27 . 1 1 3 3 DA H3' H 1 4.99 0.02 . 1 . . . A 3 DA H3' . 34086 1 28 . 1 1 3 3 DA H4' H 1 4.28 0.02 . 1 . . . A 3 DA H4' . 34086 1 29 . 1 1 3 3 DA H8 H 1 7.97 0.02 . 1 . . . A 3 DA H8 . 34086 1 30 . 1 1 4 4 DG H1 H 1 11.61 0.02 . 1 . . . A 4 DG H1 . 34086 1 31 . 1 1 4 4 DG H1' H 1 6.01 0.02 . 1 . . . A 4 DG H1' . 34086 1 32 . 1 1 4 4 DG H2' H 1 3.48 0.02 . 2 . . . A 4 DG H2' . 34086 1 33 . 1 1 4 4 DG H2'' H 1 2.95 0.02 . 2 . . . A 4 DG H2'' . 34086 1 34 . 1 1 4 4 DG H3' H 1 4.89 0.02 . 1 . . . A 4 DG H3' . 34086 1 35 . 1 1 4 4 DG H4' H 1 4.62 0.02 . 1 . . . A 4 DG H4' . 34086 1 36 . 1 1 4 4 DG H5' H 1 4.44 0.02 . 2 . . . A 4 DG H5' . 34086 1 37 . 1 1 4 4 DG H5'' H 1 4.28 0.02 . 2 . . . A 4 DG H5'' . 34086 1 38 . 1 1 4 4 DG H8 H 1 7.34 0.02 . 1 . . . A 4 DG H8 . 34086 1 39 . 1 1 5 5 DG H1 H 1 11.84 0.02 . 1 . . . A 5 DG H1 . 34086 1 40 . 1 1 5 5 DG H1' H 1 5.63 0.02 . 1 . . . A 5 DG H1' . 34086 1 41 . 1 1 5 5 DG H2' H 1 2.51 0.02 . 2 . . . A 5 DG H2' . 34086 1 42 . 1 1 5 5 DG H2'' H 1 2.62 0.02 . 2 . . . A 5 DG H2'' . 34086 1 43 . 1 1 5 5 DG H3' H 1 5.03 0.02 . 1 . . . A 5 DG H3' . 34086 1 44 . 1 1 5 5 DG H4' H 1 4.28 0.02 . 1 . . . A 5 DG H4' . 34086 1 45 . 1 1 5 5 DG H5' H 1 4.35 0.02 . 2 . . . A 5 DG H5' . 34086 1 46 . 1 1 5 5 DG H5'' H 1 4.24 0.02 . 2 . . . A 5 DG H5'' . 34086 1 47 . 1 1 5 5 DG H8 H 1 7.92 0.02 . 1 . . . A 5 DG H8 . 34086 1 48 . 1 1 6 6 DG H1 H 1 10.94 0.02 . 1 . . . A 6 DG H1 . 34086 1 49 . 1 1 6 6 DG H1' H 1 6.01 0.02 . 1 . . . A 6 DG H1' . 34086 1 50 . 1 1 6 6 DG H2' H 1 2.41 0.02 . 2 . . . A 6 DG H2' . 34086 1 51 . 1 1 6 6 DG H2'' H 1 2.33 0.02 . 2 . . . A 6 DG H2'' . 34086 1 52 . 1 1 6 6 DG H3' H 1 4.98 0.02 . 1 . . . A 6 DG H3' . 34086 1 53 . 1 1 6 6 DG H4' H 1 4.42 0.02 . 1 . . . A 6 DG H4' . 34086 1 54 . 1 1 6 6 DG H5' H 1 4.21 0.02 . 2 . . . A 6 DG H5' . 34086 1 55 . 1 1 6 6 DG H5'' H 1 4.08 0.02 . 2 . . . A 6 DG H5'' . 34086 1 56 . 1 1 6 6 DG H8 H 1 7.76 0.02 . 1 . . . A 6 DG H8 . 34086 1 57 . 1 1 7 7 DT H1' H 1 6.27 0.02 . 1 . . . A 7 DT H1' . 34086 1 58 . 1 1 7 7 DT H2' H 1 2.25 0.02 . 2 . . . A 7 DT H2' . 34086 1 59 . 1 1 7 7 DT H2'' H 1 2.49 0.02 . 2 . . . A 7 DT H2'' . 34086 1 60 . 1 1 7 7 DT H3' H 1 4.61 0.02 . 1 . . . A 7 DT H3' . 34086 1 61 . 1 1 7 7 DT H4' H 1 4.35 0.02 . 1 . . . A 7 DT H4' . 34086 1 62 . 1 1 7 7 DT H5' H 1 4.09 0.02 . 2 . . . A 7 DT H5' . 34086 1 63 . 1 1 7 7 DT H5'' H 1 4.05 0.02 . 2 . . . A 7 DT H5'' . 34086 1 64 . 1 1 7 7 DT H6 H 1 7.67 0.02 . 1 . . . A 7 DT H6 . 34086 1 65 . 1 1 7 7 DT H71 H 1 1.86 0.02 . 1 . . . A 7 DT H71 . 34086 1 66 . 1 1 7 7 DT H72 H 1 1.86 0.02 . 1 . . . A 7 DT H72 . 34086 1 67 . 1 1 7 7 DT H73 H 1 1.86 0.02 . 1 . . . A 7 DT H73 . 34086 1 68 . 1 1 8 8 DT H1' H 1 5.76 0.02 . 1 . . . A 8 DT H1' . 34086 1 69 . 1 1 8 8 DT H2' H 1 1.96 0.02 . 2 . . . A 8 DT H2' . 34086 1 70 . 1 1 8 8 DT H2'' H 1 2.16 0.02 . 2 . . . A 8 DT H2'' . 34086 1 71 . 1 1 8 8 DT H3' H 1 4.61 0.02 . 1 . . . A 8 DT H3' . 34086 1 72 . 1 1 8 8 DT H4' H 1 4.05 0.02 . 1 . . . A 8 DT H4' . 34086 1 73 . 1 1 8 8 DT H5' H 1 3.97 0.02 . 2 . . . A 8 DT H5' . 34086 1 74 . 1 1 8 8 DT H5'' H 1 3.93 0.02 . 2 . . . A 8 DT H5'' . 34086 1 75 . 1 1 8 8 DT H6 H 1 7.43 0.02 . 1 . . . A 8 DT H6 . 34086 1 76 . 1 1 8 8 DT H71 H 1 1.77 0.02 . 1 . . . A 8 DT H71 . 34086 1 77 . 1 1 8 8 DT H72 H 1 1.77 0.02 . 1 . . . A 8 DT H72 . 34086 1 78 . 1 1 8 8 DT H73 H 1 1.77 0.02 . 1 . . . A 8 DT H73 . 34086 1 79 . 1 1 9 9 DA H1' H 1 5.59 0.02 . 1 . . . A 9 DA H1' . 34086 1 80 . 1 1 9 9 DA H2 H 1 7.55 0.02 . 1 . . . A 9 DA H2 . 34086 1 81 . 1 1 9 9 DA H2' H 1 1.95 0.02 . 2 . . . A 9 DA H2' . 34086 1 82 . 1 1 9 9 DA H2'' H 1 2.44 0.02 . 2 . . . A 9 DA H2'' . 34086 1 83 . 1 1 9 9 DA H3' H 1 4.66 0.02 . 1 . . . A 9 DA H3' . 34086 1 84 . 1 1 9 9 DA H4' H 1 4.26 0.02 . 1 . . . A 9 DA H4' . 34086 1 85 . 1 1 9 9 DA H5' H 1 3.63 0.02 . 2 . . . A 9 DA H5' . 34086 1 86 . 1 1 9 9 DA H5'' H 1 3.14 0.02 . 2 . . . A 9 DA H5'' . 34086 1 87 . 1 1 9 9 DA H8 H 1 7.71 0.02 . 1 . . . A 9 DA H8 . 34086 1 88 . 1 1 10 10 DG H1 H 1 11.08 0.02 . 1 . . . A 10 DG H1 . 34086 1 89 . 1 1 10 10 DG H1' H 1 6.08 0.02 . 1 . . . A 10 DG H1' . 34086 1 90 . 1 1 10 10 DG H2' H 1 3.72 0.02 . 2 . . . A 10 DG H2' . 34086 1 91 . 1 1 10 10 DG H2'' H 1 3.14 0.02 . 2 . . . A 10 DG H2'' . 34086 1 92 . 1 1 10 10 DG H3' H 1 4.85 0.02 . 1 . . . A 10 DG H3' . 34086 1 93 . 1 1 10 10 DG H4' H 1 4.54 0.02 . 1 . . . A 10 DG H4' . 34086 1 94 . 1 1 10 10 DG H5' H 1 4.45 0.02 . 2 . . . A 10 DG H5' . 34086 1 95 . 1 1 10 10 DG H5'' H 1 4.10 0.02 . 2 . . . A 10 DG H5'' . 34086 1 96 . 1 1 10 10 DG H8 H 1 7.26 0.02 . 1 . . . A 10 DG H8 . 34086 1 97 . 1 1 11 11 DG H1 H 1 11.15 0.02 . 1 . . . A 11 DG H1 . 34086 1 98 . 1 1 11 11 DG H1' H 1 5.83 0.02 . 1 . . . A 11 DG H1' . 34086 1 99 . 1 1 11 11 DG H2' H 1 2.55 0.02 . 2 . . . A 11 DG H2' . 34086 1 100 . 1 1 11 11 DG H2'' H 1 2.38 0.02 . 2 . . . A 11 DG H2'' . 34086 1 101 . 1 1 11 11 DG H3' H 1 5.07 0.02 . 1 . . . A 11 DG H3' . 34086 1 102 . 1 1 11 11 DG H4' H 1 4.25 0.02 . 1 . . . A 11 DG H4' . 34086 1 103 . 1 1 11 11 DG H5' H 1 4.33 0.02 . 2 . . . A 11 DG H5' . 34086 1 104 . 1 1 11 11 DG H5'' H 1 4.24 0.02 . 2 . . . A 11 DG H5'' . 34086 1 105 . 1 1 11 11 DG H8 H 1 7.42 0.02 . 1 . . . A 11 DG H8 . 34086 1 106 . 1 1 12 12 DG H1 H 1 11.79 0.02 . 1 . . . A 12 DG H1 . 34086 1 107 . 1 1 12 12 DG H1' H 1 6.04 0.02 . 1 . . . A 12 DG H1' . 34086 1 108 . 1 1 12 12 DG H2' H 1 2.72 0.02 . 2 . . . A 12 DG H2' . 34086 1 109 . 1 1 12 12 DG H2'' H 1 2.54 0.02 . 2 . . . A 12 DG H2'' . 34086 1 110 . 1 1 12 12 DG H3' H 1 5.14 0.02 . 1 . . . A 12 DG H3' . 34086 1 111 . 1 1 12 12 DG H4' H 1 4.48 0.02 . 1 . . . A 12 DG H4' . 34086 1 112 . 1 1 12 12 DG H5' H 1 4.17 0.02 . 2 . . . A 12 DG H5' . 34086 1 113 . 1 1 12 12 DG H5'' H 1 4.24 0.02 . 2 . . . A 12 DG H5'' . 34086 1 114 . 1 1 12 12 DG H8 H 1 8.20 0.02 . 1 . . . A 12 DG H8 . 34086 1 115 . 1 1 13 13 DT H1' H 1 6.24 0.02 . 1 . . . A 13 DT H1' . 34086 1 116 . 1 1 13 13 DT H2' H 1 2.35 0.02 . 2 . . . A 13 DT H2' . 34086 1 117 . 1 1 13 13 DT H2'' H 1 2.63 0.02 . 2 . . . A 13 DT H2'' . 34086 1 118 . 1 1 13 13 DT H3' H 1 4.94 0.02 . 1 . . . A 13 DT H3' . 34086 1 119 . 1 1 13 13 DT H4' H 1 4.45 0.02 . 1 . . . A 13 DT H4' . 34086 1 120 . 1 1 13 13 DT H5' H 1 4.28 0.02 . 2 . . . A 13 DT H5' . 34086 1 121 . 1 1 13 13 DT H5'' H 1 4.17 0.02 . 2 . . . A 13 DT H5'' . 34086 1 122 . 1 1 13 13 DT H6 H 1 7.78 0.02 . 1 . . . A 13 DT H6 . 34086 1 123 . 1 1 13 13 DT H71 H 1 1.95 0.02 . 1 . . . A 13 DT H71 . 34086 1 124 . 1 1 13 13 DT H72 H 1 1.95 0.02 . 1 . . . A 13 DT H72 . 34086 1 125 . 1 1 13 13 DT H73 H 1 1.95 0.02 . 2 . . . A 13 DT H73 . 34086 1 126 . 1 1 14 14 DT H1' H 1 5.87 0.02 . 1 . . . A 14 DT H1' . 34086 1 127 . 1 1 14 14 DT H2' H 1 1.63 0.02 . 2 . . . A 14 DT H2' . 34086 1 128 . 1 1 14 14 DT H2'' H 1 2.15 0.02 . 2 . . . A 14 DT H2'' . 34086 1 129 . 1 1 14 14 DT H3' H 1 4.79 0.02 . 1 . . . A 14 DT H3' . 34086 1 130 . 1 1 14 14 DT H4' H 1 4.38 0.02 . 1 . . . A 14 DT H4' . 34086 1 131 . 1 1 14 14 DT H5' H 1 4.24 0.02 . 2 . . . A 14 DT H5' . 34086 1 132 . 1 1 14 14 DT H5'' H 1 4.06 0.02 . 2 . . . A 14 DT H5'' . 34086 1 133 . 1 1 14 14 DT H6 H 1 7.55 0.02 . 1 . . . A 14 DT H6 . 34086 1 134 . 1 1 14 14 DT H71 H 1 1.70 0.02 . 1 . . . A 14 DT H71 . 34086 1 135 . 1 1 14 14 DT H72 H 1 1.70 0.02 . 1 . . . A 14 DT H72 . 34086 1 136 . 1 1 14 14 DT H73 H 1 1.70 0.02 . 1 . . . A 14 DT H73 . 34086 1 137 . 1 1 15 15 DA H1' H 1 5.63 0.02 . 1 . . . A 15 DA H1' . 34086 1 138 . 1 1 15 15 DA H2 H 1 7.69 0.02 . 1 . . . A 15 DA H2 . 34086 1 139 . 1 1 15 15 DA H2' H 1 2.55 0.02 . 2 . . . A 15 DA H2' . 34086 1 140 . 1 1 15 15 DA H2'' H 1 2.61 0.02 . 2 . . . A 15 DA H2'' . 34086 1 141 . 1 1 15 15 DA H3' H 1 5.02 0.02 . 1 . . . A 15 DA H3' . 34086 1 142 . 1 1 15 15 DA H4' H 1 4.32 0.02 . 1 . . . A 15 DA H4' . 34086 1 143 . 1 1 15 15 DA H5' H 1 4.09 0.02 . 2 . . . A 15 DA H5' . 34086 1 144 . 1 1 15 15 DA H5'' H 1 3.98 0.02 . 2 . . . A 15 DA H5'' . 34086 1 145 . 1 1 15 15 DA H8 H 1 8.02 0.02 . 1 . . . A 15 DA H8 . 34086 1 146 . 1 1 16 16 DG H1 H 1 10.99 0.02 . 1 . . . A 16 DG H1 . 34086 1 147 . 1 1 16 16 DG H1' H 1 5.97 0.02 . 1 . . . A 16 DG H1' . 34086 1 148 . 1 1 16 16 DG H2' H 1 3.52 0.02 . 2 . . . A 16 DG H2' . 34086 1 149 . 1 1 16 16 DG H2'' H 1 2.94 0.02 . 2 . . . A 16 DG H2'' . 34086 1 150 . 1 1 16 16 DG H3' H 1 4.88 0.02 . 1 . . . A 16 DG H3' . 34086 1 151 . 1 1 16 16 DG H4' H 1 4.65 0.02 . 1 . . . A 16 DG H4' . 34086 1 152 . 1 1 16 16 DG H5' H 1 4.47 0.02 . 2 . . . A 16 DG H5' . 34086 1 153 . 1 1 16 16 DG H5'' H 1 4.34 0.02 . 2 . . . A 16 DG H5'' . 34086 1 154 . 1 1 16 16 DG H8 H 1 7.10 0.02 . 1 . . . A 16 DG H8 . 34086 1 155 . 1 1 17 17 DG H1 H 1 11.42 0.02 . 1 . . . A 17 DG H1 . 34086 1 156 . 1 1 17 17 DG H1' H 1 5.75 0.02 . 1 . . . A 17 DG H1' . 34086 1 157 . 1 1 17 17 DG H2' H 1 2.32 0.02 . 2 . . . A 17 DG H2' . 34086 1 158 . 1 1 17 17 DG H2'' H 1 2.69 0.02 . 2 . . . A 17 DG H2'' . 34086 1 159 . 1 1 17 17 DG H3' H 1 4.91 0.02 . 1 . . . A 17 DG H3' . 34086 1 160 . 1 1 17 17 DG H4' H 1 4.22 0.02 . 1 . . . A 17 DG H4' . 34086 1 161 . 1 1 17 17 DG H5' H 1 4.39 0.02 . 2 . . . A 17 DG H5' . 34086 1 162 . 1 1 17 17 DG H5'' H 1 4.23 0.02 . 2 . . . A 17 DG H5'' . 34086 1 163 . 1 1 17 17 DG H8 H 1 7.64 0.02 . 1 . . . A 17 DG H8 . 34086 1 164 . 1 1 18 18 DG H1 H 1 10.71 0.02 . 1 . . . A 18 DG H1 . 34086 1 165 . 1 1 18 18 DG H1' H 1 6.24 0.02 . 1 . . . A 18 DG H1' . 34086 1 166 . 1 1 18 18 DG H2' H 1 2.25 0.02 . 2 . . . A 18 DG H2' . 34086 1 167 . 1 1 18 18 DG H2'' H 1 2.54 0.02 . 2 . . . A 18 DG H2'' . 34086 1 168 . 1 1 18 18 DG H3' H 1 4.99 0.02 . 1 . . . A 18 DG H3' . 34086 1 169 . 1 1 18 18 DG H4' H 1 4.28 0.02 . 1 . . . A 18 DG H4' . 34086 1 170 . 1 1 18 18 DG H5' H 1 3.97 0.02 . 2 . . . A 18 DG H5' . 34086 1 171 . 1 1 18 18 DG H5'' H 1 3.89 0.02 . 2 . . . A 18 DG H5'' . 34086 1 172 . 1 1 18 18 DG H8 H 1 7.69 0.02 . 1 . . . A 18 DG H8 . 34086 1 173 . 1 1 19 19 DT H1' H 1 6.37 0.02 . 1 . . . A 19 DT H1' . 34086 1 174 . 1 1 19 19 DT H2' H 1 2.45 0.02 . 2 . . . A 19 DT H2' . 34086 1 175 . 1 1 19 19 DT H2'' H 1 2.54 0.02 . 2 . . . A 19 DT H2'' . 34086 1 176 . 1 1 19 19 DT H3' H 1 4.81 0.02 . 1 . . . A 19 DT H3' . 34086 1 177 . 1 1 19 19 DT H4' H 1 4.36 0.02 . 1 . . . A 19 DT H4' . 34086 1 178 . 1 1 19 19 DT H5' H 1 4.12 0.02 . 2 . . . A 19 DT H5' . 34086 1 179 . 1 1 19 19 DT H5'' H 1 4.05 0.02 . 2 . . . A 19 DT H5'' . 34086 1 180 . 1 1 19 19 DT H6 H 1 7.73 0.02 . 1 . . . A 19 DT H6 . 34086 1 181 . 1 1 19 19 DT H71 H 1 1.96 0.02 . 1 . . . A 19 DT H71 . 34086 1 182 . 1 1 19 19 DT H72 H 1 1.96 0.02 . 1 . . . A 19 DT H72 . 34086 1 183 . 1 1 19 19 DT H73 H 1 1.96 0.02 . 1 . . . A 19 DT H73 . 34086 1 184 . 1 1 20 20 DT H1' H 1 6.24 0.02 . 1 . . . A 20 DT H1' . 34086 1 185 . 1 1 20 20 DT H2' H 1 2.16 0.02 . 2 . . . A 20 DT H2' . 34086 1 186 . 1 1 20 20 DT H2'' H 1 2.47 0.02 . 2 . . . A 20 DT H2'' . 34086 1 187 . 1 1 20 20 DT H3' H 1 4.90 0.02 . 1 . . . A 20 DT H3' . 34086 1 188 . 1 1 20 20 DT H4' H 1 4.31 0.02 . 1 . . . A 20 DT H4' . 34086 1 189 . 1 1 20 20 DT H5' H 1 4.23 0.02 . 2 . . . A 20 DT H5' . 34086 1 190 . 1 1 20 20 DT H5'' H 1 4.13 0.02 . 2 . . . A 20 DT H5'' . 34086 1 191 . 1 1 20 20 DT H6 H 1 7.67 0.02 . 1 . . . A 20 DT H6 . 34086 1 192 . 1 1 20 20 DT H71 H 1 2.02 0.02 . 1 . . . A 20 DT H71 . 34086 1 193 . 1 1 20 20 DT H72 H 1 2.02 0.02 . 1 . . . A 20 DT H72 . 34086 1 194 . 1 1 20 20 DT H73 H 1 2.02 0.02 . 1 . . . A 20 DT H73 . 34086 1 195 . 1 1 21 21 DA H1' H 1 6.58 0.02 . 1 . . . A 21 DA H1' . 34086 1 196 . 1 1 21 21 DA H2 H 1 8.31 0.02 . 1 . . . A 21 DA H2 . 34086 1 197 . 1 1 21 21 DA H2' H 1 3.06 0.02 . 2 . . . A 21 DA H2' . 34086 1 198 . 1 1 21 21 DA H2'' H 1 2.86 0.02 . 2 . . . A 21 DA H2'' . 34086 1 199 . 1 1 21 21 DA H3' H 1 5.17 0.02 . 1 . . . A 21 DA H3' . 34086 1 200 . 1 1 21 21 DA H4' H 1 4.55 0.02 . 1 . . . A 21 DA H4' . 34086 1 201 . 1 1 21 21 DA H5' H 1 4.22 0.02 . 2 . . . A 21 DA H5' . 34086 1 202 . 1 1 21 21 DA H5'' H 1 4.18 0.02 . 2 . . . A 21 DA H5'' . 34086 1 203 . 1 1 21 21 DA H8 H 1 8.50 0.02 . 1 . . . A 21 DA H8 . 34086 1 204 . 1 1 22 22 DG H1 H 1 11.63 0.02 . 1 . . . A 22 DG H1 . 34086 1 205 . 1 1 22 22 DG H1' H 1 5.84 0.02 . 1 . . . A 22 DG H1' . 34086 1 206 . 1 1 22 22 DG H2' H 1 3.32 0.02 . 2 . . . A 22 DG H2' . 34086 1 207 . 1 1 22 22 DG H2'' H 1 2.93 0.02 . 2 . . . A 22 DG H2'' . 34086 1 208 . 1 1 22 22 DG H3' H 1 4.98 0.02 . 1 . . . A 22 DG H3' . 34086 1 209 . 1 1 22 22 DG H4' H 1 4.45 0.02 . 1 . . . A 22 DG H4' . 34086 1 210 . 1 1 22 22 DG H5' H 1 4.26 0.02 . 2 . . . A 22 DG H5' . 34086 1 211 . 1 1 22 22 DG H5'' H 1 4.19 0.02 . 2 . . . A 22 DG H5'' . 34086 1 212 . 1 1 22 22 DG H8 H 1 6.95 0.02 . 1 . . . A 22 DG H8 . 34086 1 213 . 1 1 23 23 DG H1 H 1 11.46 0.02 . 1 . . . A 23 DG H1 . 34086 1 214 . 1 1 23 23 DG H1' H 1 5.70 0.02 . 1 . . . A 23 DG H1' . 34086 1 215 . 1 1 23 23 DG H2' H 1 2.58 0.02 . 2 . . . A 23 DG H2' . 34086 1 216 . 1 1 23 23 DG H2'' H 1 2.62 0.02 . 2 . . . A 23 DG H2'' . 34086 1 217 . 1 1 23 23 DG H3' H 1 5.04 0.02 . 1 . . . A 23 DG H3' . 34086 1 218 . 1 1 23 23 DG H4' H 1 4.33 0.02 . 1 . . . A 23 DG H4' . 34086 1 219 . 1 1 23 23 DG H8 H 1 7.91 0.02 . 1 . . . A 23 DG H8 . 34086 1 220 . 1 1 24 24 DG H1 H 1 11.28 0.02 . 1 . . . A 24 DG H1 . 34086 1 221 . 1 1 24 24 DG H1' H 1 6.18 0.02 . 1 . . . A 24 DG H1' . 34086 1 222 . 1 1 24 24 DG H2' H 1 2.50 0.02 . 2 . . . A 24 DG H2' . 34086 1 223 . 1 1 24 24 DG H2'' H 1 2.75 0.02 . 2 . . . A 24 DG H2'' . 34086 1 224 . 1 1 24 24 DG H3' H 1 4.92 0.02 . 1 . . . A 24 DG H3' . 34086 1 225 . 1 1 24 24 DG H4' H 1 4.47 0.02 . 1 . . . A 24 DG H4' . 34086 1 226 . 1 1 24 24 DG H5' H 1 4.12 0.02 . 2 . . . A 24 DG H5' . 34086 1 227 . 1 1 24 24 DG H5'' H 1 4.24 0.02 . 2 . . . A 24 DG H5'' . 34086 1 228 . 1 1 24 24 DG H8 H 1 7.75 0.02 . 1 . . . A 24 DG H8 . 34086 1 229 . 1 1 25 25 DT H1' H 1 6.07 0.02 . 1 . . . A 25 DT H1' . 34086 1 230 . 1 1 25 25 DT H2' H 1 2.10 0.02 . 2 . . . A 25 DT H2' . 34086 1 231 . 1 1 25 25 DT H2'' H 1 2.37 0.02 . 2 . . . A 25 DT H2'' . 34086 1 232 . 1 1 25 25 DT H3' H 1 4.77 0.02 . 1 . . . A 25 DT H3' . 34086 1 233 . 1 1 25 25 DT H4' H 1 4.23 0.02 . 1 . . . A 25 DT H4' . 34086 1 234 . 1 1 25 25 DT H5' H 1 4.30 0.02 . 2 . . . A 25 DT H5' . 34086 1 235 . 1 1 25 25 DT H5'' H 1 4.11 0.02 . 2 . . . A 25 DT H5'' . 34086 1 236 . 1 1 25 25 DT H6 H 1 7.28 0.02 . 1 . . . A 25 DT H6 . 34086 1 237 . 1 1 25 25 DT H71 H 1 1.48 0.02 . 1 . . . A 25 DT H71 . 34086 1 238 . 1 1 25 25 DT H72 H 1 1.48 0.02 . 1 . . . A 25 DT H72 . 34086 1 239 . 1 1 25 25 DT H73 H 1 1.48 0.02 . 1 . . . A 25 DT H73 . 34086 1 240 . 1 1 26 26 DT H1' H 1 5.82 0.02 . 1 . . . A 26 DT H1' . 34086 1 241 . 1 1 26 26 DT H2' H 1 2.07 0.02 . 2 . . . A 26 DT H2' . 34086 1 242 . 1 1 26 26 DT H2'' H 1 2.18 0.02 . 2 . . . A 26 DT H2'' . 34086 1 243 . 1 1 26 26 DT H3' H 1 4.41 0.02 . 1 . . . A 26 DT H3' . 34086 1 244 . 1 1 26 26 DT H4' H 1 3.88 0.02 . 1 . . . A 26 DT H4' . 34086 1 245 . 1 1 26 26 DT H5' H 1 4.06 0.02 . 2 . . . A 26 DT H5' . 34086 1 246 . 1 1 26 26 DT H5'' H 1 3.97 0.02 . 2 . . . A 26 DT H5'' . 34086 1 247 . 1 1 26 26 DT H6 H 1 7.33 0.02 . 1 . . . A 26 DT H6 . 34086 1 248 . 1 1 26 26 DT H71 H 1 1.57 0.02 . 1 . . . A 26 DT H71 . 34086 1 249 . 1 1 26 26 DT H72 H 1 1.57 0.02 . 1 . . . A 26 DT H72 . 34086 1 250 . 1 1 26 26 DT H73 H 1 1.57 0.02 . 1 . . . A 26 DT H73 . 34086 1 251 . 4 3 1 1 AUZ H21 H 1 6.99 0.02 . 4 . . . A 103 AUZ H21 . 34086 1 252 . 4 3 1 1 AUZ H22 H 1 7.00 0.02 . 4 . . . A 103 AUZ H22 . 34086 1 253 . 4 3 1 1 AUZ H23 H 1 7.00 0.02 . 4 . . . A 103 AUZ H23 . 34086 1 254 . 4 3 1 1 AUZ H24 H 1 6.99 0.02 . 4 . . . A 103 AUZ H24 . 34086 1 255 . 4 3 1 1 AUZ H31 H 1 8.01 0.02 . 4 . . . A 103 AUZ H31 . 34086 1 256 . 4 3 1 1 AUZ H32 H 1 7.91 0.02 . 4 . . . A 103 AUZ H32 . 34086 1 257 . 4 3 1 1 AUZ H33 H 1 7.91 0.02 . 4 . . . A 103 AUZ H33 . 34086 1 258 . 4 3 1 1 AUZ H34 H 1 8.01 0.02 . 4 . . . A 103 AUZ H34 . 34086 1 259 . 4 3 1 1 AUZ H41 H 1 7.83 0.02 . 4 . . . A 103 AUZ H41 . 34086 1 260 . 4 3 1 1 AUZ H42 H 1 7.83 0.02 . 4 . . . A 103 AUZ H42 . 34086 1 261 . 4 3 1 1 AUZ H43 H 1 7.83 0.02 . 4 . . . A 103 AUZ H43 . 34086 1 262 . 4 3 1 1 AUZ H44 H 1 7.83 0.02 . 4 . . . A 103 AUZ H44 . 34086 1 263 . 4 3 1 1 AUZ H611 H 1 1.94 0.02 . 4 . . . A 103 AUZ H611 . 34086 1 264 . 4 3 1 1 AUZ H612 H 1 1.94 0.02 . 4 . . . A 103 AUZ H612 . 34086 1 265 . 4 3 1 1 AUZ H613 H 1 1.94 0.02 . 4 . . . A 103 AUZ H613 . 34086 1 266 . 4 3 1 1 AUZ H621 H 1 2.20 0.02 . 4 . . . A 103 AUZ H621 . 34086 1 267 . 4 3 1 1 AUZ H622 H 1 2.20 0.02 . 4 . . . A 103 AUZ H622 . 34086 1 268 . 4 3 1 1 AUZ H623 H 1 2.20 0.02 . 4 . . . A 103 AUZ H623 . 34086 1 269 . 4 3 1 1 AUZ H631 H 1 2.20 0.02 . 4 . . . A 103 AUZ H631 . 34086 1 270 . 4 3 1 1 AUZ H632 H 1 2.20 0.02 . 4 . . . A 103 AUZ H632 . 34086 1 271 . 4 3 1 1 AUZ H633 H 1 2.20 0.02 . 4 . . . A 103 AUZ H633 . 34086 1 272 . 4 3 1 1 AUZ H641 H 1 1.94 0.02 . 4 . . . A 103 AUZ H641 . 34086 1 273 . 4 3 1 1 AUZ H642 H 1 1.94 0.02 . 4 . . . A 103 AUZ H642 . 34086 1 274 . 4 3 1 1 AUZ H643 H 1 1.94 0.02 . 4 . . . A 103 AUZ H643 . 34086 1 stop_ save_