################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 11528 _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 $chemical_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' 1 $sample_1 isotropic 11528 1 2 '2D 1H-1H NOESY' 2 $sample_2 isotropic 11528 1 3 '2D DQF-COSY' 1 $sample_1 isotropic 11528 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 DC H1' H 1 5.74 0.01 . 1 . . . A 1 DC H1' . 11528 1 2 . 1 1 1 1 DC H2' H 1 1.94 0.01 . 1 . . . A 1 DC H2' . 11528 1 3 . 1 1 1 1 DC H2'' H 1 2.38 0.01 . 1 . . . A 1 DC H2'' . 11528 1 4 . 1 1 1 1 DC H3' H 1 4.69 0.01 . 1 . . . A 1 DC H3' . 11528 1 5 . 1 1 1 1 DC H4' H 1 4.05 0.01 . 1 . . . A 1 DC H4' . 11528 1 6 . 1 1 1 1 DC H5 H 1 5.89 0.01 . 1 . . . A 1 DC H5 . 11528 1 7 . 1 1 1 1 DC H5' H 1 3.70 0.01 . 1 . . . A 1 DC H5' . 11528 1 8 . 1 1 1 1 DC H5'' H 1 3.70 0.01 . 1 . . . A 1 DC H5'' . 11528 1 9 . 1 1 1 1 DC H6 H 1 7.61 0.01 . 1 . . . A 1 DC H6 . 11528 1 10 . 1 1 1 1 DC H41 H 1 7.72 0.01 . 1 . . . A 1 DC H41 . 11528 1 11 . 1 1 1 1 DC H42 H 1 6.56 0.01 . 1 . . . A 1 DC H42 . 11528 1 12 . 1 1 2 2 DG H1 H 1 13.11 0.01 . 1 . . . A 2 DG H1 . 11528 1 13 . 1 1 2 2 DG H1' H 1 5.86 0.01 . 1 . . . A 2 DG H1' . 11528 1 14 . 1 1 2 2 DG H2' H 1 2.66 0.01 . 1 . . . A 2 DG H2' . 11528 1 15 . 1 1 2 2 DG H2'' H 1 2.69 0.01 . 1 . . . A 2 DG H2'' . 11528 1 16 . 1 1 2 2 DG H3' H 1 4.96 0.01 . 1 . . . A 2 DG H3' . 11528 1 17 . 1 1 2 2 DG H4' H 1 4.33 0.01 . 1 . . . A 2 DG H4' . 11528 1 18 . 1 1 2 2 DG H5' H 1 3.96 0.01 . 2 . . . A 2 DG H5' . 11528 1 19 . 1 1 2 2 DG H5'' H 1 4.07 0.01 . 2 . . . A 2 DG H5'' . 11528 1 20 . 1 1 2 2 DG H8 H 1 7.96 0.01 . 1 . . . A 2 DG H8 . 11528 1 21 . 1 1 2 2 DG H21 H 1 8.47 0.01 . 1 . . . A 2 DG H21 . 11528 1 22 . 1 1 2 2 DG H22 H 1 6.99 0.01 . 1 . . . A 2 DG H22 . 11528 1 23 . 1 1 3 3 DC H1' H 1 5.72 0.01 . 1 . . . A 3 DC H1' . 11528 1 24 . 1 1 3 3 DC H2' H 1 2.01 0.01 . 1 . . . A 3 DC H2' . 11528 1 25 . 1 1 3 3 DC H2'' H 1 2.43 0.01 . 1 . . . A 3 DC H2'' . 11528 1 26 . 1 1 3 3 DC H3' H 1 4.85 0.01 . 1 . . . A 3 DC H3' . 11528 1 27 . 1 1 3 3 DC H4' H 1 4.18 0.01 . 1 . . . A 3 DC H4' . 11528 1 28 . 1 1 3 3 DC H5 H 1 5.44 0.01 . 1 . . . A 3 DC H5 . 11528 1 29 . 1 1 3 3 DC H5' H 1 4.13 0.01 . 2 . . . A 3 DC H5' . 11528 1 30 . 1 1 3 3 DC H5'' H 1 4.18 0.01 . 2 . . . A 3 DC H5'' . 11528 1 31 . 1 1 3 3 DC H6 H 1 7.34 0.01 . 1 . . . A 3 DC H6 . 11528 1 32 . 1 1 3 3 DC H41 H 1 8.36 0.01 . 1 . . . A 3 DC H41 . 11528 1 33 . 1 1 3 3 DC H42 H 1 6.56 0.01 . 1 . . . A 3 DC H42 . 11528 1 34 . 1 1 4 4 DG H1 H 1 13.61 0.01 . 1 . . . A 4 DG H1 . 11528 1 35 . 1 1 4 4 DG H1' H 1 6.03 0.01 . 1 . . . A 4 DG H1' . 11528 1 36 . 1 1 4 4 DG H2' H 1 2.58 0.01 . 1 . . . A 4 DG H2' . 11528 1 37 . 1 1 4 4 DG H2'' H 1 2.82 0.01 . 1 . . . A 4 DG H2'' . 11528 1 38 . 1 1 4 4 DG H3' H 1 4.95 0.01 . 1 . . . A 4 DG H3' . 11528 1 39 . 1 1 4 4 DG H4' H 1 4.39 0.01 . 1 . . . A 4 DG H4' . 11528 1 40 . 1 1 4 4 DG H5' H 1 4.09 0.01 . 2 . . . A 4 DG H5' . 11528 1 41 . 1 1 4 4 DG H5'' H 1 4.12 0.01 . 2 . . . A 4 DG H5'' . 11528 1 42 . 1 1 4 4 DG H8 H 1 7.98 0.01 . 1 . . . A 4 DG H8 . 11528 1 43 . 1 1 4 4 DG H21 H 1 8.33 0.01 . 1 . . . A 4 DG H21 . 11528 1 44 . 1 1 4 4 DG H22 H 1 7.22 0.01 . 1 . . . A 4 DG H22 . 11528 1 45 . 1 1 5 5 DT H1' H 1 5.82 0.01 . 1 . . . A 5 DT H1' . 11528 1 46 . 1 1 5 5 DT H2' H 1 1.89 0.01 . 1 . . . A 5 DT H2' . 11528 1 47 . 1 1 5 5 DT H2'' H 1 2.51 0.01 . 1 . . . A 5 DT H2'' . 11528 1 48 . 1 1 5 5 DT H3' H 1 4.75 0.01 . 1 . . . A 5 DT H3' . 11528 1 49 . 1 1 5 5 DT H4' H 1 4.12 0.01 . 1 . . . A 5 DT H4' . 11528 1 50 . 1 1 5 5 DT H5' H 1 4.09 0.01 . 2 . . . A 5 DT H5' . 11528 1 51 . 1 1 5 5 DT H5'' H 1 4.27 0.01 . 2 . . . A 5 DT H5'' . 11528 1 52 . 1 1 5 5 DT H6 H 1 7.06 0.01 . 1 . . . A 5 DT H6 . 11528 1 53 . 1 1 5 5 DT H71 H 1 1.56 0.01 . 1 . . . A 5 DT H71 . 11528 1 54 . 1 1 5 5 DT H72 H 1 1.56 0.01 . 1 . . . A 5 DT H72 . 11528 1 55 . 1 1 5 5 DT H73 H 1 1.56 0.01 . 1 . . . A 5 DT H73 . 11528 1 56 . 1 1 6 6 DT H1' H 1 5.76 0.01 . 1 . . . A 6 DT H1' . 11528 1 57 . 1 1 6 6 DT H2' H 1 2.22 0.01 . 1 . . . A 6 DT H2' . 11528 1 58 . 1 1 6 6 DT H2'' H 1 2.27 0.01 . 1 . . . A 6 DT H2'' . 11528 1 59 . 1 1 6 6 DT H3' H 1 4.82 0.01 . 1 . . . A 6 DT H3' . 11528 1 60 . 1 1 6 6 DT H4' H 1 3.99 0.01 . 1 . . . A 6 DT H4' . 11528 1 61 . 1 1 6 6 DT H5' H 1 4.08 0.01 . 2 . . . A 6 DT H5' . 11528 1 62 . 1 1 6 6 DT H5'' H 1 4.10 0.01 . 2 . . . A 6 DT H5'' . 11528 1 63 . 1 1 6 6 DT H6 H 1 7.38 0.01 . 1 . . . A 6 DT H6 . 11528 1 64 . 1 1 6 6 DT H71 H 1 1.80 0.01 . 1 . . . A 6 DT H71 . 11528 1 65 . 1 1 6 6 DT H72 H 1 1.80 0.01 . 1 . . . A 6 DT H72 . 11528 1 66 . 1 1 6 6 DT H73 H 1 1.80 0.01 . 1 . . . A 6 DT H73 . 11528 1 67 . 1 1 7 7 DG H1 H 1 12.64 0.01 . 1 . . . A 7 DG H1 . 11528 1 68 . 1 1 7 7 DG H1' H 1 6.02 0.01 . 1 . . . A 7 DG H1' . 11528 1 69 . 1 1 7 7 DG H2' H 1 2.64 0.01 . 1 . . . A 7 DG H2' . 11528 1 70 . 1 1 7 7 DG H2'' H 1 2.81 0.01 . 1 . . . A 7 DG H2'' . 11528 1 71 . 1 1 7 7 DG H3' H 1 4.92 0.01 . 1 . . . A 7 DG H3' . 11528 1 72 . 1 1 7 7 DG H4' H 1 4.35 0.01 . 1 . . . A 7 DG H4' . 11528 1 73 . 1 1 7 7 DG H5' H 1 3.97 0.01 . 2 . . . A 7 DG H5' . 11528 1 74 . 1 1 7 7 DG H5'' H 1 4.08 0.01 . 2 . . . A 7 DG H5'' . 11528 1 75 . 1 1 7 7 DG H8 H 1 7.87 0.01 . 1 . . . A 7 DG H8 . 11528 1 76 . 1 1 7 7 DG H22 H 1 6.80 0.01 . 2 . . . A 7 DG H22 . 11528 1 77 . 1 1 8 8 DT H1' H 1 6.14 0.01 . 1 . . . A 8 DT H1' . 11528 1 78 . 1 1 8 8 DT H2' H 1 2.20 0.01 . 1 . . . A 8 DT H2' . 11528 1 79 . 1 1 8 8 DT H2'' H 1 2.54 0.01 . 1 . . . A 8 DT H2'' . 11528 1 80 . 1 1 8 8 DT H3 H 1 13.63 0.01 . 1 . . . A 8 DT H3 . 11528 1 81 . 1 1 8 8 DT H3' H 1 4.90 0.01 . 1 . . . A 8 DT H3' . 11528 1 82 . 1 1 8 8 DT H4' H 1 4.23 0.01 . 1 . . . A 8 DT H4' . 11528 1 83 . 1 1 8 8 DT H5' H 1 4.15 0.01 . 2 . . . A 8 DT H5' . 11528 1 84 . 1 1 8 8 DT H5'' H 1 4.17 0.01 . 2 . . . A 8 DT H5'' . 11528 1 85 . 1 1 8 8 DT H6 H 1 7.28 0.01 . 1 . . . A 8 DT H6 . 11528 1 86 . 1 1 8 8 DT H71 H 1 1.26 0.01 . 1 . . . A 8 DT H71 . 11528 1 87 . 1 1 8 8 DT H72 H 1 1.26 0.01 . 1 . . . A 8 DT H72 . 11528 1 88 . 1 1 8 8 DT H73 H 1 1.26 0.01 . 1 . . . A 8 DT H73 . 11528 1 89 . 1 1 9 9 DC H1' H 1 6.09 0.01 . 1 . . . A 9 DC H1' . 11528 1 90 . 1 1 9 9 DC H2' H 1 2.21 0.01 . 1 . . . A 9 DC H2' . 11528 1 91 . 1 1 9 9 DC H2'' H 1 2.48 0.01 . 1 . . . A 9 DC H2'' . 11528 1 92 . 1 1 9 9 DC H3' H 1 4.82 0.01 . 1 . . . A 9 DC H3' . 11528 1 93 . 1 1 9 9 DC H4' H 1 4.16 0.01 . 1 . . . A 9 DC H4' . 11528 1 94 . 1 1 9 9 DC H5 H 1 5.71 0.01 . 1 . . . A 9 DC H5 . 11528 1 95 . 1 1 9 9 DC H5' H 1 4.05 0.01 . 2 . . . A 9 DC H5' . 11528 1 96 . 1 1 9 9 DC H5'' H 1 4.11 0.01 . 2 . . . A 9 DC H5'' . 11528 1 97 . 1 1 9 9 DC H6 H 1 7.58 0.01 . 1 . . . A 9 DC H6 . 11528 1 98 . 1 1 9 9 DC H41 H 1 8.49 0.01 . 1 . . . A 9 DC H41 . 11528 1 99 . 1 1 9 9 DC H42 H 1 7.00 0.01 . 1 . . . A 9 DC H42 . 11528 1 100 . 1 1 10 10 DC H1' H 1 6.24 0.01 . 1 . . . A 10 DC H1' . 11528 1 101 . 1 1 10 10 DC H2' H 1 2.27 0.01 . 1 . . . A 10 DC H2' . 11528 1 102 . 1 1 10 10 DC H2'' H 1 2.27 0.01 . 1 . . . A 10 DC H2'' . 11528 1 103 . 1 1 10 10 DC H3' H 1 4.56 0.01 . 1 . . . A 10 DC H3' . 11528 1 104 . 1 1 10 10 DC H4' H 1 4.04 0.01 . 1 . . . A 10 DC H4' . 11528 1 105 . 1 1 10 10 DC H5 H 1 5.80 0.01 . 1 . . . A 10 DC H5 . 11528 1 106 . 1 1 10 10 DC H5' H 1 3.93 0.01 . 2 . . . A 10 DC H5' . 11528 1 107 . 1 1 10 10 DC H5'' H 1 4.15 0.01 . 2 . . . A 10 DC H5'' . 11528 1 108 . 1 1 10 10 DC H6 H 1 7.67 0.01 . 1 . . . A 10 DC H6 . 11528 1 109 . 1 1 10 10 DC H41 H 1 8.31 0.01 . 1 . . . A 10 DC H41 . 11528 1 110 . 1 1 10 10 DC H42 H 1 7.19 0.01 . 1 . . . A 10 DC H42 . 11528 1 111 . 2 2 1 1 DG H1 H 1 12.89 0.01 . 1 . . . B 11 DG H1 . 11528 1 112 . 2 2 1 1 DG H1' H 1 5.62 0.01 . 1 . . . B 11 DG H1' . 11528 1 113 . 2 2 1 1 DG H2' H 1 2.45 0.01 . 1 . . . B 11 DG H2' . 11528 1 114 . 2 2 1 1 DG H2'' H 1 2.62 0.01 . 1 . . . B 11 DG H2'' . 11528 1 115 . 2 2 1 1 DG H3' H 1 4.79 0.01 . 1 . . . B 11 DG H3' . 11528 1 116 . 2 2 1 1 DG H4' H 1 4.13 0.01 . 1 . . . B 11 DG H4' . 11528 1 117 . 2 2 1 1 DG H5' H 1 3.62 0.01 . 1 . . . B 11 DG H5' . 11528 1 118 . 2 2 1 1 DG H5'' H 1 3.62 0.01 . 1 . . . B 11 DG H5'' . 11528 1 119 . 2 2 1 1 DG H8 H 1 7.81 0.01 . 1 . . . B 11 DG H8 . 11528 1 120 . 2 2 1 1 DG H21 H 1 8.38 0.01 . 1 . . . B 11 DG H21 . 11528 1 121 . 2 2 1 1 DG H22 H 1 6.51 0.01 . 1 . . . B 11 DG H22 . 11528 1 122 . 2 2 2 2 DG H1 H 1 12.93 0.01 . 1 . . . B 12 DG H1 . 11528 1 123 . 2 2 2 2 DG H1' H 1 5.52 0.01 . 1 . . . B 12 DG H1' . 11528 1 124 . 2 2 2 2 DG H2' H 1 2.67 0.01 . 1 . . . B 12 DG H2' . 11528 1 125 . 2 2 2 2 DG H2'' H 1 2.73 0.01 . 1 . . . B 12 DG H2'' . 11528 1 126 . 2 2 2 2 DG H3' H 1 4.99 0.01 . 1 . . . B 12 DG H3' . 11528 1 127 . 2 2 2 2 DG H4' H 1 4.34 0.01 . 1 . . . B 12 DG H4' . 11528 1 128 . 2 2 2 2 DG H5' H 1 4.02 0.01 . 2 . . . B 12 DG H5' . 11528 1 129 . 2 2 2 2 DG H5'' H 1 4.10 0.01 . 2 . . . B 12 DG H5'' . 11528 1 130 . 2 2 2 2 DG H8 H 1 7.82 0.01 . 1 . . . B 12 DG H8 . 11528 1 131 . 2 2 2 2 DG H21 H 1 8.07 0.01 . 1 . . . B 12 DG H21 . 11528 1 132 . 2 2 2 2 DG H22 H 1 6.84 0.01 . 1 . . . B 12 DG H22 . 11528 1 133 . 2 2 3 3 DA H1' H 1 6.20 0.01 . 1 . . . B 13 DA H1' . 11528 1 134 . 2 2 3 3 DA H2 H 1 8.01 0.01 . 1 . . . B 13 DA H2 . 11528 1 135 . 2 2 3 3 DA H2' H 1 2.66 0.01 . 1 . . . B 13 DA H2' . 11528 1 136 . 2 2 3 3 DA H2'' H 1 2.84 0.01 . 1 . . . B 13 DA H2'' . 11528 1 137 . 2 2 3 3 DA H3' H 1 5.03 0.01 . 1 . . . B 13 DA H3' . 11528 1 138 . 2 2 3 3 DA H4' H 1 4.46 0.01 . 1 . . . B 13 DA H4' . 11528 1 139 . 2 2 3 3 DA H5' H 1 4.16 0.01 . 2 . . . B 13 DA H5' . 11528 1 140 . 2 2 3 3 DA H5'' H 1 4.21 0.01 . 2 . . . B 13 DA H5'' . 11528 1 141 . 2 2 3 3 DA H8 H 1 8.17 0.01 . 1 . . . B 13 DA H8 . 11528 1 142 . 2 2 3 3 DA H61 H 1 8.21 0.01 . 1 . . . B 13 DA H61 . 11528 1 143 . 2 2 3 3 DA H62 H 1 6.59 0.01 . 1 . . . B 13 DA H62 . 11528 1 144 . 2 2 4 4 DC H1' H 1 5.86 0.01 . 1 . . . B 14 DC H1' . 11528 1 145 . 2 2 4 4 DC H2' H 1 2.29 0.01 . 1 . . . B 14 DC H2' . 11528 1 146 . 2 2 4 4 DC H2'' H 1 2.50 0.01 . 1 . . . B 14 DC H2'' . 11528 1 147 . 2 2 4 4 DC H3' H 1 4.67 0.01 . 1 . . . B 14 DC H3' . 11528 1 148 . 2 2 4 4 DC H4' H 1 4.28 0.01 . 1 . . . B 14 DC H4' . 11528 1 149 . 2 2 4 4 DC H5 H 1 5.24 0.01 . 1 . . . B 14 DC H5 . 11528 1 150 . 2 2 4 4 DC H5' H 1 4.07 0.01 . 2 . . . B 14 DC H5' . 11528 1 151 . 2 2 4 4 DC H5'' H 1 4.23 0.01 . 2 . . . B 14 DC H5'' . 11528 1 152 . 2 2 4 4 DC H6 H 1 7.38 0.01 . 1 . . . B 14 DC H6 . 11528 1 153 . 2 2 4 4 DC H41 H 1 8.32 0.01 . 1 . . . B 14 DC H41 . 11528 1 154 . 2 2 4 4 DC H42 H 1 6.86 0.01 . 1 . . . B 14 DC H42 . 11528 1 155 . 2 2 5 5 DT H1' H 1 5.78 0.01 . 1 . . . B 15 DT H1' . 11528 1 156 . 2 2 5 5 DT H2' H 1 1.72 0.01 . 2 . . . B 15 DT H2' . 11528 1 157 . 2 2 5 5 DT H2'' H 1 2.27 0.01 . 2 . . . B 15 DT H2'' . 11528 1 158 . 2 2 5 5 DT H3' H 1 4.62 0.01 . 1 . . . B 15 DT H3' . 11528 1 159 . 2 2 5 5 DT H4' H 1 3.92 0.01 . 1 . . . B 15 DT H4' . 11528 1 160 . 2 2 5 5 DT H5' H 1 4.04 0.01 . 2 . . . B 15 DT H5' . 11528 1 161 . 2 2 5 5 DT H5'' H 1 4.23 0.01 . 2 . . . B 15 DT H5'' . 11528 1 162 . 2 2 5 5 DT H6 H 1 7.20 0.01 . 1 . . . B 15 DT H6 . 11528 1 163 . 2 2 5 5 DT H71 H 1 1.72 0.01 . 1 . . . B 15 DT H71 . 11528 1 164 . 2 2 5 5 DT H72 H 1 1.72 0.01 . 1 . . . B 15 DT H72 . 11528 1 165 . 2 2 5 5 DT H73 H 1 1.72 0.01 . 1 . . . B 15 DT H73 . 11528 1 166 . 2 2 6 6 DT H1' H 1 6.03 0.01 . 1 . . . B 16 DT H1' . 11528 1 167 . 2 2 6 6 DT H2' H 1 2.25 0.01 . 1 . . . B 16 DT H2' . 11528 1 168 . 2 2 6 6 DT H2'' H 1 2.50 0.01 . 1 . . . B 16 DT H2'' . 11528 1 169 . 2 2 6 6 DT H3' H 1 4.84 0.01 . 1 . . . B 16 DT H3' . 11528 1 170 . 2 2 6 6 DT H4' H 1 4.16 0.01 . 1 . . . B 16 DT H4' . 11528 1 171 . 2 2 6 6 DT H5' H 1 3.91 0.01 . 2 . . . B 16 DT H5' . 11528 1 172 . 2 2 6 6 DT H5'' H 1 3.98 0.01 . 2 . . . B 16 DT H5'' . 11528 1 173 . 2 2 6 6 DT H6 H 1 7.56 0.01 . 1 . . . B 16 DT H6 . 11528 1 174 . 2 2 6 6 DT H71 H 1 1.64 0.01 . 1 . . . B 16 DT H71 . 11528 1 175 . 2 2 6 6 DT H72 H 1 1.64 0.01 . 1 . . . B 16 DT H72 . 11528 1 176 . 2 2 6 6 DT H73 H 1 1.64 0.01 . 1 . . . B 16 DT H73 . 11528 1 177 . 2 2 7 7 DC H1' H 1 5.70 0.01 . 1 . . . B 17 DC H1' . 11528 1 178 . 2 2 7 7 DC H2' H 1 2.11 0.01 . 1 . . . B 17 DC H2' . 11528 1 179 . 2 2 7 7 DC H2'' H 1 2.38 0.01 . 1 . . . B 17 DC H2'' . 11528 1 180 . 2 2 7 7 DC H3' H 1 4.82 0.01 . 1 . . . B 17 DC H3' . 11528 1 181 . 2 2 7 7 DC H4' H 1 4.08 0.01 . 1 . . . B 17 DC H4' . 11528 1 182 . 2 2 7 7 DC H5 H 1 5.66 0.01 . 1 . . . B 17 DC H5 . 11528 1 183 . 2 2 7 7 DC H5' H 1 4.10 0.01 . 2 . . . B 17 DC H5' . 11528 1 184 . 2 2 7 7 DC H5'' H 1 4.21 0.01 . 2 . . . B 17 DC H5'' . 11528 1 185 . 2 2 7 7 DC H6 H 1 7.50 0.01 . 1 . . . B 17 DC H6 . 11528 1 186 . 2 2 7 7 DC H41 H 1 7.75 0.01 . 1 . . . B 17 DC H41 . 11528 1 187 . 2 2 7 7 DC H42 H 1 7.06 0.01 . 1 . . . B 17 DC H42 . 11528 1 188 . 2 2 8 8 DG H1 H 1 12.87 0.01 . 1 . . . B 18 DG H1 . 11528 1 189 . 2 2 8 8 DG H1' H 1 5.90 0.01 . 1 . . . B 18 DG H1' . 11528 1 190 . 2 2 8 8 DG H2' H 1 2.61 0.01 . 1 . . . B 18 DG H2' . 11528 1 191 . 2 2 8 8 DG H2'' H 1 2.71 0.01 . 1 . . . B 18 DG H2'' . 11528 1 192 . 2 2 8 8 DG H3' H 1 4.97 0.01 . 1 . . . B 18 DG H3' . 11528 1 193 . 2 2 8 8 DG H4' H 1 4.34 0.01 . 1 . . . B 18 DG H4' . 11528 1 194 . 2 2 8 8 DG H5' H 1 4.00 0.01 . 2 . . . B 18 DG H5' . 11528 1 195 . 2 2 8 8 DG H5'' H 1 4.10 0.01 . 2 . . . B 18 DG H5'' . 11528 1 196 . 2 2 8 8 DG H8 H 1 7.90 0.01 . 1 . . . B 18 DG H8 . 11528 1 197 . 2 2 8 8 DG H21 H 1 8.34 0.01 . 1 . . . B 18 DG H21 . 11528 1 198 . 2 2 8 8 DG H22 H 1 6.91 0.01 . 1 . . . B 18 DG H22 . 11528 1 199 . 2 2 9 9 DC H1' H 1 5.76 0.01 . 1 . . . B 19 DC H1' . 11528 1 200 . 2 2 9 9 DC H2' H 1 1.90 0.01 . 1 . . . B 19 DC H2' . 11528 1 201 . 2 2 9 9 DC H2'' H 1 2.32 0.01 . 1 . . . B 19 DC H2'' . 11528 1 202 . 2 2 9 9 DC H3' H 1 4.81 0.01 . 1 . . . B 19 DC H3' . 11528 1 203 . 2 2 9 9 DC H4' H 1 4.15 0.01 . 1 . . . B 19 DC H4' . 11528 1 204 . 2 2 9 9 DC H5 H 1 5.42 0.01 . 1 . . . B 19 DC H5 . 11528 1 205 . 2 2 9 9 DC H5' H 1 4.07 0.01 . 2 . . . B 19 DC H5' . 11528 1 206 . 2 2 9 9 DC H5'' H 1 4.09 0.01 . 2 . . . B 19 DC H5'' . 11528 1 207 . 2 2 9 9 DC H6 H 1 7.32 0.01 . 1 . . . B 19 DC H6 . 11528 1 208 . 2 2 9 9 DC H41 H 1 8.51 0.01 . 1 . . . B 19 DC H41 . 11528 1 209 . 2 2 9 9 DC H42 H 1 6.66 0.01 . 1 . . . B 19 DC H42 . 11528 1 210 . 2 2 10 10 DG H1 H 1 12.87 0.01 . 1 . . . B 20 DG H1 . 11528 1 211 . 2 2 10 10 DG H1' H 1 6.15 0.01 . 1 . . . B 20 DG H1' . 11528 1 212 . 2 2 10 10 DG H2' H 1 2.36 0.01 . 1 . . . B 20 DG H2' . 11528 1 213 . 2 2 10 10 DG H2'' H 1 2.61 0.01 . 1 . . . B 20 DG H2'' . 11528 1 214 . 2 2 10 10 DG H3' H 1 4.67 0.01 . 1 . . . B 20 DG H3' . 11528 1 215 . 2 2 10 10 DG H4' H 1 4.17 0.01 . 1 . . . B 20 DG H4' . 11528 1 216 . 2 2 10 10 DG H5' H 1 4.05 0.01 . 2 . . . B 20 DG H5' . 11528 1 217 . 2 2 10 10 DG H5'' H 1 4.04 0.01 . 2 . . . B 20 DG H5'' . 11528 1 218 . 2 2 10 10 DG H8 H 1 7.94 0.01 . 1 . . . B 20 DG H8 . 11528 1 219 . 2 2 10 10 DG H21 H 1 7.25 0.01 . 1 . . . B 20 DG H21 . 11528 1 220 . 2 2 10 10 DG H22 H 1 6.95 0.01 . 1 . . . B 20 DG H22 . 11528 1 stop_ save_