################################### # 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 11608 _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 11608 1 2 '2D 1H-1H NOESY' 2 $sample_2 isotropic 11608 1 3 '2D DQF-COSY' 2 $sample_2 isotropic 11608 1 4 '2D 1H-13C HSQC' 2 $sample_2 isotropic 11608 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 5.73 0.01 . 1 . . . 1 1 DT H1' . 11608 1 2 . 1 1 1 1 DT H2' H 1 1.61 0.01 . 1 . . . 1 1 DT H2' . 11608 1 3 . 1 1 1 1 DT H2'' H 1 2.11 0.01 . 1 . . . 1 1 DT H2'' . 11608 1 4 . 1 1 1 1 DT H3' H 1 4.59 0.01 . 1 . . . 1 1 DT H3' . 11608 1 5 . 1 1 1 1 DT H6 H 1 7.25 0.01 . 1 . . . 1 1 DT H6 . 11608 1 6 . 1 1 1 1 DT H71 H 1 1.59 0.01 . 2 . . . 1 1 DT H71 . 11608 1 7 . 1 1 1 1 DT H72 H 1 1.59 0.01 . 2 . . . 1 1 DT H72 . 11608 1 8 . 1 1 1 1 DT H73 H 1 1.59 0.01 . 2 . . . 1 1 DT H73 . 11608 1 9 . 1 1 2 2 DA H1' H 1 5.92 0.01 . 1 . . . 1 2 DA H1' . 11608 1 10 . 1 1 2 2 DA H2 H 1 7.40 0.01 . 1 . . . 1 2 DA H2 . 11608 1 11 . 1 1 2 2 DA H2' H 1 2.85 0.01 . 1 . . . 1 2 DA H2' . 11608 1 12 . 1 1 2 2 DA H2'' H 1 2.94 0.01 . 1 . . . 1 2 DA H2'' . 11608 1 13 . 1 1 2 2 DA H3' H 1 5.01 0.01 . 1 . . . 1 2 DA H3' . 11608 1 14 . 1 1 2 2 DA H8 H 1 8.30 0.01 . 1 . . . 1 2 DA H8 . 11608 1 15 . 1 1 3 3 DA H1' H 1 6.20 0.01 . 1 . . . 1 3 DA H1' . 11608 1 16 . 1 1 3 3 DA H2 H 1 7.74 0.01 . 1 . . . 1 3 DA H2 . 11608 1 17 . 1 1 3 3 DA H2' H 1 2.60 0.01 . 1 . . . 1 3 DA H2' . 11608 1 18 . 1 1 3 3 DA H2'' H 1 2.89 0.01 . 1 . . . 1 3 DA H2'' . 11608 1 19 . 1 1 3 3 DA H3' H 1 4.99 0.01 . 1 . . . 1 3 DA H3' . 11608 1 20 . 1 1 3 3 DA H8 H 1 8.19 0.01 . 1 . . . 1 3 DA H8 . 11608 1 21 . 1 1 3 3 DA H61 H 1 7.23 0.01 . 2 . . . 1 3 DA H61 . 11608 1 22 . 1 1 3 3 DA H62 H 1 6.21 0.01 . 2 . . . 1 3 DA H62 . 11608 1 23 . 1 1 4 4 DT H1' H 1 5.67 0.01 . 1 . . . 1 4 DT H1' . 11608 1 24 . 1 1 4 4 DT H2' H 1 2.08 0.01 . 1 . . . 1 4 DT H2' . 11608 1 25 . 1 1 4 4 DT H2'' H 1 2.46 0.01 . 1 . . . 1 4 DT H2'' . 11608 1 26 . 1 1 4 4 DT H3 H 1 13.11 0.01 . 1 . . . 1 4 DT H3 . 11608 1 27 . 1 1 4 4 DT H3' H 1 4.85 0.01 . 1 . . . 1 4 DT H3' . 11608 1 28 . 1 1 4 4 DT H6 H 1 7.12 0.01 . 1 . . . 1 4 DT H6 . 11608 1 29 . 1 1 4 4 DT H71 H 1 1.36 0.01 . 2 . . . 1 4 DT H71 . 11608 1 30 . 1 1 4 4 DT H72 H 1 1.36 0.01 . 2 . . . 1 4 DT H72 . 11608 1 31 . 1 1 4 4 DT H73 H 1 1.36 0.01 . 2 . . . 1 4 DT H73 . 11608 1 32 . 1 1 5 5 DA H1' H 1 6.19 0.01 . 1 . . . 1 5 DA H1' . 11608 1 33 . 1 1 5 5 DA H2 H 1 7.13 0.01 . 1 . . . 1 5 DA H2 . 11608 1 34 . 1 1 5 5 DA H2' H 1 2.56 0.01 . 1 . . . 1 5 DA H2' . 11608 1 35 . 1 1 5 5 DA H2'' H 1 2.88 0.01 . 1 . . . 1 5 DA H2'' . 11608 1 36 . 1 1 5 5 DA H3' H 1 4.96 0.01 . 1 . . . 1 5 DA H3' . 11608 1 37 . 1 1 5 5 DA H8 H 1 8.19 0.01 . 1 . . . 1 5 DA H8 . 11608 1 38 . 1 1 5 5 DA H61 H 1 7.35 0.01 . 2 . . . 1 5 DA H61 . 11608 1 39 . 1 1 5 5 DA H62 H 1 6.21 0.01 . 2 . . . 1 5 DA H62 . 11608 1 40 . 1 1 6 6 DT H1' H 1 5.63 0.01 . 1 . . . 1 6 DT H1' . 11608 1 41 . 1 1 6 6 DT H2' H 1 1.97 0.01 . 1 . . . 1 6 DT H2' . 11608 1 42 . 1 1 6 6 DT H2'' H 1 2.41 0.01 . 1 . . . 1 6 DT H2'' . 11608 1 43 . 1 1 6 6 DT H3 H 1 13.11 0.01 . 1 . . . 1 6 DT H3 . 11608 1 44 . 1 1 6 6 DT H3' H 1 4.84 0.01 . 1 . . . 1 6 DT H3' . 11608 1 45 . 1 1 6 6 DT H6 H 1 7.10 0.01 . 1 . . . 1 6 DT H6 . 11608 1 46 . 1 1 6 6 DT H71 H 1 1.33 0.01 . 2 . . . 1 6 DT H71 . 11608 1 47 . 1 1 6 6 DT H72 H 1 1.33 0.01 . 2 . . . 1 6 DT H72 . 11608 1 48 . 1 1 6 6 DT H73 H 1 1.33 0.01 . 2 . . . 1 6 DT H73 . 11608 1 49 . 1 1 7 7 DA H1' H 1 6.18 0.01 . 1 . . . 1 7 DA H1' . 11608 1 50 . 1 1 7 7 DA H2 H 1 7.25 0.01 . 1 . . . 1 7 DA H2 . 11608 1 51 . 1 1 7 7 DA H2' H 1 2.64 0.01 . 1 . . . 1 7 DA H2' . 11608 1 52 . 1 1 7 7 DA H2'' H 1 2.79 0.01 . 1 . . . 1 7 DA H2'' . 11608 1 53 . 1 1 7 7 DA H3' H 1 4.97 0.01 . 1 . . . 1 7 DA H3' . 11608 1 54 . 1 1 7 7 DA H8 H 1 8.19 0.01 . 1 . . . 1 7 DA H8 . 11608 1 55 . 1 1 7 7 DA H61 H 1 7.30 0.01 . 2 . . . 1 7 DA H61 . 11608 1 56 . 1 1 7 7 DA H62 H 1 6.28 0.01 . 2 . . . 1 7 DA H62 . 11608 1 57 . 1 1 8 8 DC H1' H 1 5.75 0.01 . 1 . . . 1 8 DC H1' . 11608 1 58 . 1 1 8 8 DC H2' H 1 1.74 0.01 . 1 . . . 1 8 DC H2' . 11608 1 59 . 1 1 8 8 DC H2'' H 1 2.43 0.01 . 1 . . . 1 8 DC H2'' . 11608 1 60 . 1 1 8 8 DC H3' H 1 4.73 0.01 . 1 . . . 1 8 DC H3' . 11608 1 61 . 1 1 8 8 DC H5 H 1 5.52 0.01 . 1 . . . 1 8 DC H5 . 11608 1 62 . 1 1 8 8 DC H6 H 1 7.42 0.01 . 1 . . . 1 8 DC H6 . 11608 1 63 . 1 1 8 8 DC H41 H 1 7.50 0.01 . 2 . . . 1 8 DC H41 . 11608 1 64 . 1 1 8 8 DC H42 H 1 7.06 0.01 . 2 . . . 1 8 DC H42 . 11608 1 65 . 1 1 9 9 DT H1' H 1 6.01 0.01 . 1 . . . 1 9 DT H1' . 11608 1 66 . 1 1 9 9 DT H2' H 1 2.22 0.01 . 1 . . . 1 9 DT H2' . 11608 1 67 . 1 1 9 9 DT H2'' H 1 2.47 0.01 . 1 . . . 1 9 DT H2'' . 11608 1 68 . 1 1 9 9 DT H3 H 1 14.11 0.01 . 1 . . . 1 9 DT H3 . 11608 1 69 . 1 1 9 9 DT H3' H 1 4.85 0.01 . 1 . . . 1 9 DT H3' . 11608 1 70 . 1 1 9 9 DT H6 H 1 7.49 0.01 . 1 . . . 1 9 DT H6 . 11608 1 71 . 1 1 9 9 DT H71 H 1 1.55 0.01 . 2 . . . 1 9 DT H71 . 11608 1 72 . 1 1 9 9 DT H72 H 1 1.55 0.01 . 2 . . . 1 9 DT H72 . 11608 1 73 . 1 1 9 9 DT H73 H 1 1.55 0.01 . 2 . . . 1 9 DT H73 . 11608 1 74 . 1 1 10 10 DT H1' H 1 5.69 0.01 . 1 . . . 1 10 DT H1' . 11608 1 75 . 1 1 10 10 DT H2' H 1 2.09 0.01 . 1 . . . 1 10 DT H2' . 11608 1 76 . 1 1 10 10 DT H2'' H 1 2.45 0.01 . 1 . . . 1 10 DT H2'' . 11608 1 77 . 1 1 10 10 DT H3 H 1 13.43 0.01 . 1 . . . 1 10 DT H3 . 11608 1 78 . 1 1 10 10 DT H3' H 1 4.86 0.01 . 1 . . . 1 10 DT H3' . 11608 1 79 . 1 1 10 10 DT H6 H 1 7.34 0.01 . 1 . . . 1 10 DT H6 . 11608 1 80 . 1 1 10 10 DT H71 H 1 1.64 0.01 . 2 . . . 1 10 DT H71 . 11608 1 81 . 1 1 10 10 DT H72 H 1 1.64 0.01 . 2 . . . 1 10 DT H72 . 11608 1 82 . 1 1 10 10 DT H73 H 1 1.64 0.01 . 2 . . . 1 10 DT H73 . 11608 1 83 . 1 1 11 11 DA H1' H 1 5.95 0.01 . 1 . . . 1 11 DA H1' . 11608 1 84 . 1 1 11 11 DA H2 H 1 6.73 0.01 . 1 . . . 1 11 DA H2 . 11608 1 85 . 1 1 11 11 DA H2' H 1 2.74 0.01 . 1 . . . 1 11 DA H2' . 11608 1 86 . 1 1 11 11 DA H2'' H 1 2.91 0.01 . 1 . . . 1 11 DA H2'' . 11608 1 87 . 1 1 11 11 DA H3' H 1 5.05 0.01 . 1 . . . 1 11 DA H3' . 11608 1 88 . 1 1 11 11 DA H8 H 1 8.25 0.01 . 1 . . . 1 11 DA H8 . 11608 1 89 . 1 1 11 11 DA H61 H 1 7.35 0.01 . 2 . . . 1 11 DA H61 . 11608 1 90 . 1 1 11 11 DA H62 H 1 6.20 0.01 . 2 . . . 1 11 DA H62 . 11608 1 91 . 1 1 12 12 DA H1' H 1 6.13 0.01 . 1 . . . 1 12 DA H1' . 11608 1 92 . 1 1 12 12 DA H2 H 1 7.60 0.01 . 1 . . . 1 12 DA H2 . 11608 1 93 . 1 1 12 12 DA H2' H 1 2.55 0.01 . 1 . . . 1 12 DA H2' . 11608 1 94 . 1 1 12 12 DA H2'' H 1 2.85 0.01 . 1 . . . 1 12 DA H2'' . 11608 1 95 . 1 1 12 12 DA H3' H 1 4.97 0.01 . 1 . . . 1 12 DA H3' . 11608 1 96 . 1 1 12 12 DA H8 H 1 8.12 0.01 . 1 . . . 1 12 DA H8 . 11608 1 97 . 1 1 12 12 DA H61 H 1 7.16 0.01 . 2 . . . 1 12 DA H61 . 11608 1 98 . 1 1 12 12 DA H62 H 1 6.12 0.01 . 2 . . . 1 12 DA H62 . 11608 1 99 . 1 1 13 13 DT H1' H 1 5.88 0.01 . 1 . . . 1 13 DT H1' . 11608 1 100 . 1 1 13 13 DT H2' H 1 1.89 0.01 . 1 . . . 1 13 DT H2' . 11608 1 101 . 1 1 13 13 DT H2'' H 1 2.40 0.01 . 1 . . . 1 13 DT H2'' . 11608 1 102 . 1 1 13 13 DT H3 H 1 13.59 0.01 . 1 . . . 1 13 DT H3 . 11608 1 103 . 1 1 13 13 DT H3' H 1 4.81 0.01 . 1 . . . 1 13 DT H3' . 11608 1 104 . 1 1 13 13 DT H6 H 1 7.12 0.01 . 1 . . . 1 13 DT H6 . 11608 1 105 . 1 1 13 13 DT H71 H 1 1.32 0.01 . 2 . . . 1 13 DT H71 . 11608 1 106 . 1 1 13 13 DT H72 H 1 1.32 0.01 . 2 . . . 1 13 DT H72 . 11608 1 107 . 1 1 13 13 DT H73 H 1 1.32 0.01 . 2 . . . 1 13 DT H73 . 11608 1 108 . 1 1 14 14 DT H1' H 1 5.98 0.01 . 1 . . . 1 14 DT H1' . 11608 1 109 . 1 1 14 14 DT H2' H 1 2.01 0.01 . 1 . . . 1 14 DT H2' . 11608 1 110 . 1 1 14 14 DT H2'' H 1 2.31 0.01 . 1 . . . 1 14 DT H2'' . 11608 1 111 . 1 1 14 14 DT H3 H 1 13.53 0.01 . 1 . . . 1 14 DT H3 . 11608 1 112 . 1 1 14 14 DT H3' H 1 4.82 0.01 . 1 . . . 1 14 DT H3' . 11608 1 113 . 1 1 14 14 DT H6 H 1 7.31 0.01 . 1 . . . 1 14 DT H6 . 11608 1 114 . 1 1 14 14 DT H71 H 1 1.63 0.01 . 2 . . . 1 14 DT H71 . 11608 1 115 . 1 1 14 14 DT H72 H 1 1.63 0.01 . 2 . . . 1 14 DT H72 . 11608 1 116 . 1 1 14 14 DT H73 H 1 1.63 0.01 . 2 . . . 1 14 DT H73 . 11608 1 117 . 1 1 15 15 DA H1' H 1 6.33 0.01 . 1 . . . 1 15 DA H1' . 11608 1 118 . 1 1 15 15 DA H2 H 1 7.73 0.01 . 1 . . . 1 15 DA H2 . 11608 1 119 . 1 1 15 15 DA H2' H 1 2.72 0.01 . 1 . . . 1 15 DA H2' . 11608 1 120 . 1 1 15 15 DA H2'' H 1 2.48 0.01 . 1 . . . 1 15 DA H2'' . 11608 1 121 . 1 1 15 15 DA H3' H 1 4.73 0.01 . 1 . . . 1 15 DA H3' . 11608 1 122 . 1 1 15 15 DA H8 H 1 8.28 0.01 . 1 . . . 1 15 DA H8 . 11608 1 123 . 2 2 1 1 DT H1' H 1 5.73 0.01 . 1 . . . . 16 DT H1' . 11608 1 124 . 2 2 1 1 DT H2' H 1 1.63 0.01 . 1 . . . . 16 DT H2' . 11608 1 125 . 2 2 1 1 DT H2'' H 1 2.13 0.01 . 1 . . . . 16 DT H2'' . 11608 1 126 . 2 2 1 1 DT H3' H 1 4.60 0.01 . 1 . . . . 16 DT H3' . 11608 1 127 . 2 2 1 1 DT H6 H 1 7.27 0.01 . 1 . . . . 16 DT H6 . 11608 1 128 . 2 2 1 1 DT H71 H 1 1.61 0.01 . 2 . . . . 16 DT H71 . 11608 1 129 . 2 2 1 1 DT H72 H 1 1.61 0.01 . 2 . . . . 16 DT H72 . 11608 1 130 . 2 2 1 1 DT H73 H 1 1.61 0.01 . 2 . . . . 16 DT H73 . 11608 1 131 . 2 2 2 2 DA H1' H 1 5.92 0.01 . 1 . . . . 17 DA H1' . 11608 1 132 . 2 2 2 2 DA H2 H 1 7.40 0.01 . 1 . . . . 17 DA H2 . 11608 1 133 . 2 2 2 2 DA H2' H 1 2.86 0.01 . 1 . . . . 17 DA H2' . 11608 1 134 . 2 2 2 2 DA H2'' H 1 2.95 0.01 . 1 . . . . 17 DA H2'' . 11608 1 135 . 2 2 2 2 DA H3' H 1 5.01 0.01 . 1 . . . . 17 DA H3' . 11608 1 136 . 2 2 2 2 DA H8 H 1 8.31 0.01 . 1 . . . . 17 DA H8 . 11608 1 137 . 2 2 3 3 DA H1' H 1 6.22 0.01 . 1 . . . . 18 DA H1' . 11608 1 138 . 2 2 3 3 DA H2 H 1 7.77 0.01 . 1 . . . . 18 DA H2 . 11608 1 139 . 2 2 3 3 DA H2' H 1 2.64 0.01 . 1 . . . . 18 DA H2' . 11608 1 140 . 2 2 3 3 DA H2'' H 1 2.90 0.01 . 1 . . . . 18 DA H2'' . 11608 1 141 . 2 2 3 3 DA H3' H 1 5.00 0.01 . 1 . . . . 18 DA H3' . 11608 1 142 . 2 2 3 3 DA H8 H 1 8.22 0.01 . 1 . . . . 18 DA H8 . 11608 1 143 . 2 2 3 3 DA H61 H 1 7.23 0.01 . 2 . . . . 18 DA H61 . 11608 1 144 . 2 2 3 3 DA H62 H 1 6.22 0.01 . 2 . . . . 18 DA H62 . 11608 1 145 . 2 2 4 4 DT H1' H 1 5.88 0.01 . 1 . . . . 19 DT H1' . 11608 1 146 . 2 2 4 4 DT H2' H 1 1.94 0.01 . 1 . . . . 19 DT H2' . 11608 1 147 . 2 2 4 4 DT H2'' H 1 2.46 0.01 . 1 . . . . 19 DT H2'' . 11608 1 148 . 2 2 4 4 DT H3 H 1 13.57 0.01 . 1 . . . . 19 DT H3 . 11608 1 149 . 2 2 4 4 DT H3' H 1 4.85 0.01 . 1 . . . . 19 DT H3' . 11608 1 150 . 2 2 4 4 DT H6 H 1 7.14 0.01 . 1 . . . . 19 DT H6 . 11608 1 151 . 2 2 4 4 DT H71 H 1 1.29 0.01 . 2 . . . . 19 DT H71 . 11608 1 152 . 2 2 4 4 DT H72 H 1 1.29 0.01 . 2 . . . . 19 DT H72 . 11608 1 153 . 2 2 4 4 DT H73 H 1 1.29 0.01 . 2 . . . . 19 DT H73 . 11608 1 154 . 2 2 5 5 DT H1' H 1 5.67 0.01 . 1 . . . . 20 DT H1' . 11608 1 155 . 2 2 5 5 DT H2' H 1 2.01 0.01 . 1 . . . . 20 DT H2' . 11608 1 156 . 2 2 5 5 DT H2'' H 1 2.38 0.01 . 1 . . . . 20 DT H2'' . 11608 1 157 . 2 2 5 5 DT H3 H 1 13.40 0.01 . 1 . . . . 20 DT H3 . 11608 1 158 . 2 2 5 5 DT H3' H 1 4.84 0.01 . 1 . . . . 20 DT H3' . 11608 1 159 . 2 2 5 5 DT H6 H 1 7.30 0.01 . 1 . . . . 20 DT H6 . 11608 1 160 . 2 2 5 5 DT H71 H 1 1.58 0.01 . 2 . . . . 20 DT H71 . 11608 1 161 . 2 2 5 5 DT H72 H 1 1.58 0.01 . 2 . . . . 20 DT H72 . 11608 1 162 . 2 2 5 5 DT H73 H 1 1.58 0.01 . 2 . . . . 20 DT H73 . 11608 1 163 . 2 2 6 6 DA H1' H 1 5.86 0.01 . 1 . . . . 21 DA H1' . 11608 1 164 . 2 2 6 6 DA H2 H 1 6.75 0.01 . 1 . . . . 21 DA H2 . 11608 1 165 . 2 2 6 6 DA H2' H 1 2.65 0.01 . 1 . . . . 21 DA H2' . 11608 1 166 . 2 2 6 6 DA H2'' H 1 2.84 0.01 . 1 . . . . 21 DA H2'' . 11608 1 167 . 2 2 6 6 DA H3' H 1 5.02 0.01 . 1 . . . . 21 DA H3' . 11608 1 168 . 2 2 6 6 DA H8 H 1 8.20 0.01 . 1 . . . . 21 DA H8 . 11608 1 169 . 2 2 6 6 DA H61 H 1 7.35 0.01 . 2 . . . . 21 DA H61 . 11608 1 170 . 2 2 6 6 DA H62 H 1 6.16 0.01 . 2 . . . . 21 DA H62 . 11608 1 171 . 2 2 7 7 DA H1' H 1 6.06 0.01 . 1 . . . . 22 DA H1' . 11608 1 172 . 2 2 7 7 DA H2 H 1 7.65 0.01 . 1 . . . . 22 DA H2 . 11608 1 173 . 2 2 7 7 DA H2' H 1 2.57 0.01 . 1 . . . . 22 DA H2' . 11608 1 174 . 2 2 7 7 DA H2'' H 1 2.72 0.01 . 1 . . . . 22 DA H2'' . 11608 1 175 . 2 2 7 7 DA H3' H 1 4.94 0.01 . 1 . . . . 22 DA H3' . 11608 1 176 . 2 2 7 7 DA H8 H 1 8.07 0.01 . 1 . . . . 22 DA H8 . 11608 1 177 . 2 2 7 7 DA H61 H 1 7.19 0.01 . 2 . . . . 22 DA H61 . 11608 1 178 . 2 2 7 7 DA H62 H 1 6.05 0.01 . 2 . . . . 22 DA H62 . 11608 1 179 . 2 2 8 8 DC H1' H 1 5.63 0.01 . 1 . . . . 23 DC H1' . 11608 1 180 . 2 2 8 8 DC H2' H 1 1.65 0.01 . 1 . . . . 23 DC H2' . 11608 1 181 . 2 2 8 8 DC H2'' H 1 2.34 0.01 . 1 . . . . 23 DC H2'' . 11608 1 182 . 2 2 8 8 DC H3' H 1 4.67 0.01 . 1 . . . . 23 DC H3' . 11608 1 183 . 2 2 8 8 DC H5 H 1 5.41 0.01 . 1 . . . . 23 DC H5 . 11608 1 184 . 2 2 8 8 DC H6 H 1 7.31 0.01 . 1 . . . . 23 DC H6 . 11608 1 185 . 2 2 8 8 DC H41 H 1 7.43 0.01 . 2 . . . . 23 DC H41 . 11608 1 186 . 2 2 8 8 DC H42 H 1 7.04 0.01 . 2 . . . . 23 DC H42 . 11608 1 187 . 2 2 9 9 DT H1' H 1 5.70 0.01 . 1 . . . . 24 DT H1' . 11608 1 188 . 2 2 9 9 DT H2' H 1 2.33 0.01 . 1 . . . . 24 DT H2' . 11608 1 189 . 2 2 9 9 DT H2'' H 1 2.55 0.01 . 1 . . . . 24 DT H2'' . 11608 1 190 . 2 2 9 9 DT H3 H 1 13.66 0.01 . 1 . . . . 24 DT H3 . 11608 1 191 . 2 2 9 9 DT H3' H 1 4.88 0.01 . 1 . . . . 24 DT H3' . 11608 1 192 . 2 2 9 9 DT H6 H 1 7.47 0.01 . 1 . . . . 24 DT H6 . 11608 1 193 . 2 2 9 9 DT H71 H 1 1.57 0.01 . 2 . . . . 24 DT H71 . 11608 1 194 . 2 2 9 9 DT H72 H 1 1.57 0.01 . 2 . . . . 24 DT H72 . 11608 1 195 . 2 2 9 9 DT H73 H 1 1.57 0.01 . 2 . . . . 24 DT H73 . 11608 1 196 . 2 2 10 10 DA H1' H 1 6.22 0.01 . 1 . . . . 25 DA H1' . 11608 1 197 . 2 2 10 10 DA H2 H 1 7.42 0.01 . 1 . . . . 25 DA H2 . 11608 1 198 . 2 2 10 10 DA H2' H 1 2.63 0.01 . 1 . . . . 25 DA H2' . 11608 1 199 . 2 2 10 10 DA H2'' H 1 2.92 0.01 . 1 . . . . 25 DA H2'' . 11608 1 200 . 2 2 10 10 DA H3' H 1 5.00 0.01 . 1 . . . . 25 DA H3' . 11608 1 201 . 2 2 10 10 DA H8 H 1 8.24 0.01 . 1 . . . . 25 DA H8 . 11608 1 202 . 2 2 10 10 DA H61 H 1 7.37 0.01 . 2 . . . . 25 DA H61 . 11608 1 203 . 2 2 10 10 DA H62 H 1 6.29 0.01 . 2 . . . . 25 DA H62 . 11608 1 204 . 2 2 11 11 DT H1' H 1 5.71 0.01 . 1 . . . . 26 DT H1' . 11608 1 205 . 2 2 11 11 DT H2' H 1 2.10 0.01 . 1 . . . . 26 DT H2' . 11608 1 206 . 2 2 11 11 DT H2'' H 1 2.49 0.01 . 1 . . . . 26 DT H2'' . 11608 1 207 . 2 2 11 11 DT H3 H 1 13.16 0.01 . 1 . . . . 26 DT H3 . 11608 1 208 . 2 2 11 11 DT H3' H 1 4.87 0.01 . 1 . . . . 26 DT H3' . 11608 1 209 . 2 2 11 11 DT H6 H 1 7.16 0.01 . 1 . . . . 26 DT H6 . 11608 1 210 . 2 2 11 11 DT H71 H 1 1.37 0.01 . 2 . . . . 26 DT H71 . 11608 1 211 . 2 2 11 11 DT H72 H 1 1.37 0.01 . 2 . . . . 26 DT H72 . 11608 1 212 . 2 2 11 11 DT H73 H 1 1.37 0.01 . 2 . . . . 26 DT H73 . 11608 1 213 . 2 2 12 12 DA H1' H 1 6.22 0.01 . 1 . . . . 27 DA H1' . 11608 1 214 . 2 2 12 12 DA H2 H 1 7.22 0.01 . 1 . . . . 27 DA H2 . 11608 1 215 . 2 2 12 12 DA H2' H 1 2.63 0.01 . 1 . . . . 27 DA H2' . 11608 1 216 . 2 2 12 12 DA H2'' H 1 2.89 0.01 . 1 . . . . 27 DA H2'' . 11608 1 217 . 2 2 12 12 DA H3' H 1 4.98 0.01 . 1 . . . . 27 DA H3' . 11608 1 218 . 2 2 12 12 DA H8 H 1 8.23 0.01 . 1 . . . . 27 DA H8 . 11608 1 219 . 2 2 12 12 DA H61 H 1 7.32 0.01 . 2 . . . . 27 DA H61 . 11608 1 220 . 2 2 12 12 DA H62 H 1 6.20 0.01 . 2 . . . . 27 DA H62 . 11608 1 221 . 2 2 13 13 DT H1' H 1 5.96 0.01 . 1 . . . . 28 DT H1' . 11608 1 222 . 2 2 13 13 DT H2' H 1 1.94 0.01 . 1 . . . . 28 DT H2' . 11608 1 223 . 2 2 13 13 DT H2'' H 1 2.42 0.01 . 1 . . . . 28 DT H2'' . 11608 1 224 . 2 2 13 13 DT H3 H 1 13.62 0.01 . 1 . . . . 28 DT H3 . 11608 1 225 . 2 2 13 13 DT H3' H 1 4.81 0.01 . 1 . . . . 28 DT H3' . 11608 1 226 . 2 2 13 13 DT H6 H 1 7.20 0.01 . 1 . . . . 28 DT H6 . 11608 1 227 . 2 2 13 13 DT H71 H 1 1.36 0.01 . 2 . . . . 28 DT H71 . 11608 1 228 . 2 2 13 13 DT H72 H 1 1.36 0.01 . 2 . . . . 28 DT H72 . 11608 1 229 . 2 2 13 13 DT H73 H 1 1.36 0.01 . 2 . . . . 28 DT H73 . 11608 1 230 . 2 2 14 14 DT H1' H 1 5.98 0.01 . 1 . . . . 29 DT H1' . 11608 1 231 . 2 2 14 14 DT H2' H 1 2.02 0.01 . 1 . . . . 29 DT H2' . 11608 1 232 . 2 2 14 14 DT H2'' H 1 2.31 0.01 . 1 . . . . 29 DT H2'' . 11608 1 233 . 2 2 14 14 DT H3 H 1 13.58 0.01 . 1 . . . . 29 DT H3 . 11608 1 234 . 2 2 14 14 DT H3' H 1 4.82 0.01 . 1 . . . . 29 DT H3' . 11608 1 235 . 2 2 14 14 DT H6 H 1 7.32 0.01 . 1 . . . . 29 DT H6 . 11608 1 236 . 2 2 14 14 DT H71 H 1 1.64 0.01 . 2 . . . . 29 DT H71 . 11608 1 237 . 2 2 14 14 DT H72 H 1 1.64 0.01 . 2 . . . . 29 DT H72 . 11608 1 238 . 2 2 14 14 DT H73 H 1 1.64 0.01 . 2 . . . . 29 DT H73 . 11608 1 239 . 2 2 15 15 DA H1' H 1 6.34 0.01 . 1 . . . . 30 DA H1' . 11608 1 240 . 2 2 15 15 DA H2 H 1 7.73 0.01 . 1 . . . . 30 DA H2 . 11608 1 241 . 2 2 15 15 DA H2' H 1 2.74 0.01 . 1 . . . . 30 DA H2' . 11608 1 242 . 2 2 15 15 DA H2'' H 1 2.49 0.01 . 1 . . . . 30 DA H2'' . 11608 1 243 . 2 2 15 15 DA H3' H 1 4.73 0.01 . 1 . . . . 30 DA H3' . 11608 1 244 . 2 2 15 15 DA H8 H 1 8.29 0.01 . 1 . . . . 30 DA H8 . 11608 1 stop_ save_