################################### # 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 34898 _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 . _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' . . . 34898 1 2 '2D 1H-13C HSQC' . . . 34898 1 3 '2D DQF-COSY' . . . 34898 1 4 HMBC . . . 34898 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 DT H1' H 1 5.717 0.0 . 1 . . 2 . A 1 DT H1' . 34898 1 2 . 1 . 1 1 1 DT H2' H 1 2.058 0.001 . 1 . . 87 . A 1 DT H2' . 34898 1 3 . 1 . 1 1 1 DT H2'' H 1 2.327 0.001 . 1 . . 89 . A 1 DT H2'' . 34898 1 4 . 1 . 1 1 1 DT H3' H 1 4.651 0.0 . 1 . . 90 . A 1 DT H3' . 34898 1 5 . 1 . 1 1 1 DT H6 H 1 7.294 0.001 . 1 . . 1 . A 1 DT H6 . 34898 1 6 . 1 . 1 1 1 DT H71 H 1 1.355 0.0 . 1 . . 85 . A 1 DT H71 . 34898 1 7 . 1 . 1 1 1 DT H72 H 1 1.355 0.0 . 1 . . 85 . A 1 DT H72 . 34898 1 8 . 1 . 1 1 1 DT H73 H 1 1.355 0.0 . 1 . . 85 . A 1 DT H73 . 34898 1 9 . 1 . 1 1 1 DT C6 C 13 139.581 . . 1 . . 3 . A 1 DT C6 . 34898 1 10 . 1 . 1 2 2 DG H1 H 1 11.859 0.0 . 1 . . 82 . A 2 DG H1 . 34898 1 11 . 1 . 1 2 2 DG H1' H 1 6.104 0.0 . 1 . . 5 . A 2 DG H1' . 34898 1 12 . 1 . 1 2 2 DG H2' H 1 2.765 0.0 . 1 . . 92 . A 2 DG H2' . 34898 1 13 . 1 . 1 2 2 DG H2'' H 1 3.012 0.001 . 1 . . 93 . A 2 DG H2'' . 34898 1 14 . 1 . 1 2 2 DG H3' H 1 4.990 0.0 . 1 . . 91 . A 2 DG H3' . 34898 1 15 . 1 . 1 2 2 DG H8 H 1 8.045 0.0 . 1 . . 4 . A 2 DG H8 . 34898 1 16 . 1 . 1 2 2 DG C5 C 13 117.895 0.001 . 1 . . 159 . A 2 DG C5 . 34898 1 17 . 1 . 1 2 2 DG C8 C 13 138.624 . . 1 . . 6 . A 2 DG C8 . 34898 1 18 . 1 . 1 3 3 DG H1 H 1 11.320 0.001 . 1 . . 83 . A 3 DG H1 . 34898 1 19 . 1 . 1 3 3 DG H1' H 1 6.183 0.0 . 1 . . 8 . A 3 DG H1' . 34898 1 20 . 1 . 1 3 3 DG H2' H 1 2.634 0.0 . 1 . . 95 . A 3 DG H2' . 34898 1 21 . 1 . 1 3 3 DG H2'' H 1 2.948 0.001 . 1 . . 96 . A 3 DG H2'' . 34898 1 22 . 1 . 1 3 3 DG H3' H 1 4.996 0.0 . 1 . . 94 . A 3 DG H3' . 34898 1 23 . 1 . 1 3 3 DG H8 H 1 7.724 0.001 . 1 . . 7 . A 3 DG H8 . 34898 1 24 . 1 . 1 3 3 DG C5 C 13 116.797 0.001 . 1 . . 160 . A 3 DG C5 . 34898 1 25 . 1 . 1 3 3 DG C8 C 13 137.720 . . 1 . . 9 . A 3 DG C8 . 34898 1 26 . 1 . 1 4 4 DG H1 H 1 11.122 0.0 . 1 . . 84 . A 4 DG H1 . 34898 1 27 . 1 . 1 4 4 DG H1' H 1 6.431 0.0 . 1 . . 11 . A 4 DG H1' . 34898 1 28 . 1 . 1 4 4 DG H2' H 1 2.673 0.001 . 1 . . 97 . A 4 DG H2' . 34898 1 29 . 1 . 1 4 4 DG H2'' H 1 2.561 0.0 . 1 . . 98 . A 4 DG H2'' . 34898 1 30 . 1 . 1 4 4 DG H3' H 1 5.083 0.0 . 1 . . 99 . A 4 DG H3' . 34898 1 31 . 1 . 1 4 4 DG H8 H 1 7.774 0.0 . 1 . . 10 . A 4 DG H8 . 34898 1 32 . 1 . 1 4 4 DG C5 C 13 117.235 . . 1 . . 161 . A 4 DG C5 . 34898 1 33 . 1 . 1 4 4 DG C8 C 13 138.255 . . 1 . . 12 . A 4 DG C8 . 34898 1 34 . 1 . 1 5 5 DC H1' H 1 6.457 0.0 . 1 . . 143 . A 5 DC H1' . 34898 1 35 . 1 . 1 5 5 DC H2' H 1 2.378 0.001 . 1 . . 144 . A 5 DC H2' . 34898 1 36 . 1 . 1 5 5 DC H2'' H 1 2.709 0.001 . 1 . . 146 . A 5 DC H2'' . 34898 1 37 . 1 . 1 5 5 DC H3' H 1 5.067 0.0 . 1 . . 147 . A 5 DC H3' . 34898 1 38 . 1 . 1 5 5 DC H5 H 1 6.158 . . 1 . . 172 . A 5 DC H5 . 34898 1 39 . 1 . 1 5 5 DC H6 H 1 7.999 0.003 . 1 . . 142 . A 5 DC H6 . 34898 1 40 . 1 . 1 5 5 DC C6 C 13 144.376 . . 1 . . 171 . A 5 DC C6 . 34898 1 41 . 1 . 1 6 6 DG H1 H 1 11.645 0.001 . 1 . . 73 . A 6 DG H1 . 34898 1 42 . 1 . 1 6 6 DG H1' H 1 6.130 0.0 . 1 . . 71 . A 6 DG H1' . 34898 1 43 . 1 . 1 6 6 DG H2' H 1 2.476 0.0 . 1 . . 101 . A 6 DG H2' . 34898 1 44 . 1 . 1 6 6 DG H2'' H 1 2.876 0.0 . 1 . . 102 . A 6 DG H2'' . 34898 1 45 . 1 . 1 6 6 DG H3' H 1 5.121 0.0 . 1 . . 100 . A 6 DG H3' . 34898 1 46 . 1 . 1 6 6 DG H8 H 1 8.010 0.001 . 1 . . 70 . A 6 DG H8 . 34898 1 47 . 1 . 1 6 6 DG C5 C 13 118.057 0.001 . 1 . . 162 . A 6 DG C5 . 34898 1 48 . 1 . 1 6 6 DG C8 C 13 138.338 . . 1 . . 72 . A 6 DG C8 . 34898 1 49 . 1 . 1 7 7 DG H1 H 1 11.502 0.001 . 1 . . 74 . A 7 DG H1 . 34898 1 50 . 1 . 1 7 7 DG H1' H 1 6.050 0.0 . 1 . . 68 . A 7 DG H1' . 34898 1 51 . 1 . 1 7 7 DG H2' H 1 2.665 0.0 . 1 . . 104 . A 7 DG H2' . 34898 1 52 . 1 . 1 7 7 DG H2'' H 1 2.756 0.0 . 1 . . 105 . A 7 DG H2'' . 34898 1 53 . 1 . 1 7 7 DG H3' H 1 5.028 0.0 . 1 . . 103 . A 7 DG H3' . 34898 1 54 . 1 . 1 7 7 DG H8 H 1 7.931 0.0 . 1 . . 67 . A 7 DG H8 . 34898 1 55 . 1 . 1 7 7 DG C5 C 13 116.928 0.0 . 1 . . 163 . A 7 DG C5 . 34898 1 56 . 1 . 1 7 7 DG C8 C 13 138.587 . . 1 . . 69 . A 7 DG C8 . 34898 1 57 . 1 . 1 8 8 DG H1 H 1 11.222 0.0 . 1 . . 75 . A 8 DG H1 . 34898 1 58 . 1 . 1 8 8 DG H1' H 1 6.167 0.0 . 1 . . 65 . A 8 DG H1' . 34898 1 59 . 1 . 1 8 8 DG H2' H 1 2.459 0.0 . 1 . . 107 . A 8 DG H2' . 34898 1 60 . 1 . 1 8 8 DG H2'' H 1 2.633 0.001 . 1 . . 108 . A 8 DG H2'' . 34898 1 61 . 1 . 1 8 8 DG H3' H 1 4.898 0.0 . 1 . . 106 . A 8 DG H3' . 34898 1 62 . 1 . 1 8 8 DG H8 H 1 7.678 0.0 . 1 . . 64 . A 8 DG H8 . 34898 1 63 . 1 . 1 8 8 DG C5 C 13 117.422 0.0 . 1 . . 164 . A 8 DG C5 . 34898 1 64 . 1 . 1 8 8 DG C8 C 13 137.961 . . 1 . . 66 . A 8 DG C8 . 34898 1 65 . 1 . 1 9 9 DG H1' H 1 6.105 0.0 . 1 . . 62 . A 9 DG H1' . 34898 1 66 . 1 . 1 9 9 DG H2' H 1 2.659 0.0 . 1 . . 109 . A 9 DG H2' . 34898 1 67 . 1 . 1 9 9 DG H2'' H 1 2.513 0.0 . 1 . . 110 . A 9 DG H2'' . 34898 1 68 . 1 . 1 9 9 DG H3' H 1 4.887 0.0 . 1 . . 111 . A 9 DG H3' . 34898 1 69 . 1 . 1 9 9 DG H8 H 1 7.817 0.0 . 1 . . 61 . A 9 DG H8 . 34898 1 70 . 1 . 1 9 9 DG C8 C 13 139.879 . . 1 . . 63 . A 9 DG C8 . 34898 1 71 . 1 . 1 10 10 DC H1' H 1 6.044 0.0 . 1 . . 14 . A 10 DC H1' . 34898 1 72 . 1 . 1 10 10 DC H2' H 1 1.725 0.0 . 1 . . 113 . A 10 DC H2' . 34898 1 73 . 1 . 1 10 10 DC H2'' H 1 2.246 0.0 . 1 . . 114 . A 10 DC H2'' . 34898 1 74 . 1 . 1 10 10 DC H3' H 1 4.732 0.0 . 1 . . 112 . A 10 DC H3' . 34898 1 75 . 1 . 1 10 10 DC H5 H 1 5.884 0.0 . 1 . . 19 . A 10 DC H5 . 34898 1 76 . 1 . 1 10 10 DC H6 H 1 7.487 0.003 . 1 . . 13 . A 10 DC H6 . 34898 1 77 . 1 . 1 10 10 DC C6 C 13 143.670 . . 1 . . 17 . A 10 DC C6 . 34898 1 78 . 1 . 1 11 11 DA H1' H 1 6.264 0.001 . 1 . . 16 . A 11 DA H1' . 34898 1 79 . 1 . 1 11 11 DA H2 H 1 8.109 0.001 . 1 . . 27 . A 11 DA H2 . 34898 1 80 . 1 . 1 11 11 DA H2' H 1 2.748 0.0 . 1 . . 116 . A 11 DA H2' . 34898 1 81 . 1 . 1 11 11 DA H2'' H 1 2.632 0.001 . 1 . . 117 . A 11 DA H2'' . 34898 1 82 . 1 . 1 11 11 DA H3' H 1 4.917 0.001 . 1 . . 115 . A 11 DA H3' . 34898 1 83 . 1 . 1 11 11 DA H8 H 1 8.353 0.001 . 1 . . 15 . A 11 DA H8 . 34898 1 84 . 1 . 1 11 11 DA C2 C 13 155.689 . . 1 . . 28 . A 11 DA C2 . 34898 1 85 . 1 . 1 11 11 DA C8 C 13 142.477 . . 1 . . 18 . A 11 DA C8 . 34898 1 86 . 1 . 1 12 12 DC H1' H 1 5.845 0.001 . 1 . . 21 . A 12 DC H1' . 34898 1 87 . 1 . 1 12 12 DC H2' H 1 1.539 0.001 . 1 . . 118 . A 12 DC H2' . 34898 1 88 . 1 . 1 12 12 DC H2'' H 1 2.084 0.001 . 1 . . 119 . A 12 DC H2'' . 34898 1 89 . 1 . 1 12 12 DC H5 H 1 5.720 0.002 . 1 . . 22 . A 12 DC H5 . 34898 1 90 . 1 . 1 12 12 DC H6 H 1 7.307 0.002 . 1 . . 20 . A 12 DC H6 . 34898 1 91 . 1 . 1 12 12 DC C6 C 13 143.304 . . 1 . . 23 . A 12 DC C6 . 34898 1 92 . 1 . 1 13 13 DA H1' H 1 5.956 0.0 . 1 . . 25 . A 13 DA H1' . 34898 1 93 . 1 . 1 13 13 DA H2 H 1 7.985 0.0 . 1 . . 29 . A 13 DA H2 . 34898 1 94 . 1 . 1 13 13 DA H2' H 1 2.515 0.001 . 1 . . 121 . A 13 DA H2' . 34898 1 95 . 1 . 1 13 13 DA H2'' H 1 2.543 0.001 . 1 . . 122 . A 13 DA H2'' . 34898 1 96 . 1 . 1 13 13 DA H3' H 1 4.826 0.0 . 1 . . 120 . A 13 DA H3' . 34898 1 97 . 1 . 1 13 13 DA H8 H 1 8.058 0.0 . 1 . . 24 . A 13 DA H8 . 34898 1 98 . 1 . 1 13 13 DA C2 C 13 155.428 . . 1 . . 30 . A 13 DA C2 . 34898 1 99 . 1 . 1 13 13 DA C8 C 13 142.219 . . 1 . . 26 . A 13 DA C8 . 34898 1 100 . 1 . 1 14 14 DG H1' H 1 5.644 0.0 . 1 . . 32 . A 14 DG H1' . 34898 1 101 . 1 . 1 14 14 DG H2' H 1 2.375 0.001 . 1 . . 123 . A 14 DG H2' . 34898 1 102 . 1 . 1 14 14 DG H2'' H 1 2.391 0.001 . 1 . . 124 . A 14 DG H2'' . 34898 1 103 . 1 . 1 14 14 DG H3' H 1 4.861 0.0 . 1 . . 125 . A 14 DG H3' . 34898 1 104 . 1 . 1 14 14 DG H8 H 1 7.737 0.0 . 1 . . 31 . A 14 DG H8 . 34898 1 105 . 1 . 1 14 14 DG C8 C 13 139.008 . . 1 . . 33 . A 14 DG C8 . 34898 1 106 . 1 . 1 15 15 DG H1' H 1 6.051 0.0 . 1 . . 35 . A 15 DG H1' . 34898 1 107 . 1 . 1 15 15 DG H2' H 1 2.624 0.0 . 1 . . 127 . A 15 DG H2' . 34898 1 108 . 1 . 1 15 15 DG H2'' H 1 2.635 0.0 . 1 . . 128 . A 15 DG H2'' . 34898 1 109 . 1 . 1 15 15 DG H3' H 1 4.898 . . 1 . . 126 . A 15 DG H3' . 34898 1 110 . 1 . 1 15 15 DG H8 H 1 7.860 0.0 . 1 . . 34 . A 15 DG H8 . 34898 1 111 . 1 . 1 15 15 DG C8 C 13 139.558 . . 1 . . 36 . A 15 DG C8 . 34898 1 112 . 1 . 1 16 16 DT H1' H 1 5.937 0.0 . 1 . . 38 . A 16 DT H1' . 34898 1 113 . 1 . 1 16 16 DT H2' H 1 2.266 0.001 . 1 . . 129 . A 16 DT H2' . 34898 1 114 . 1 . 1 16 16 DT H2'' H 1 2.448 0.001 . 1 . . 130 . A 16 DT H2'' . 34898 1 115 . 1 . 1 16 16 DT H3' H 1 4.825 0.0 . 1 . . 132 . A 16 DT H3' . 34898 1 116 . 1 . 1 16 16 DT H6 H 1 7.344 0.0 . 1 . . 37 . A 16 DT H6 . 34898 1 117 . 1 . 1 16 16 DT H71 H 1 1.521 0.0 . 1 . . 131 . A 16 DT H71 . 34898 1 118 . 1 . 1 16 16 DT H72 H 1 1.521 0.0 . 1 . . 131 . A 16 DT H72 . 34898 1 119 . 1 . 1 16 16 DT H73 H 1 1.521 0.0 . 1 . . 131 . A 16 DT H73 . 34898 1 120 . 1 . 1 16 16 DT C6 C 13 139.627 . . 1 . . 39 . A 16 DT C6 . 34898 1 121 . 1 . 1 17 17 DG H1 H 1 11.914 0.001 . 1 . . 81 . A 17 DG H1 . 34898 1 122 . 1 . 1 17 17 DG H1' H 1 6.129 0.001 . 1 . . 41 . A 17 DG H1' . 34898 1 123 . 1 . 1 17 17 DG H2' H 1 2.744 0.0 . 1 . . 134 . A 17 DG H2' . 34898 1 124 . 1 . 1 17 17 DG H2'' H 1 3.022 0.001 . 1 . . 135 . A 17 DG H2'' . 34898 1 125 . 1 . 1 17 17 DG H3' H 1 4.953 0.0 . 1 . . 133 . A 17 DG H3' . 34898 1 126 . 1 . 1 17 17 DG H8 H 1 8.075 0.0 . 1 . . 40 . A 17 DG H8 . 34898 1 127 . 1 . 1 17 17 DG C5 C 13 118.057 0.001 . 1 . . 165 . A 17 DG C5 . 34898 1 128 . 1 . 1 17 17 DG C8 C 13 138.782 . . 1 . . 42 . A 17 DG C8 . 34898 1 129 . 1 . 1 18 18 DG H1 H 1 11.336 0.0 . 1 . . 80 . A 18 DG H1 . 34898 1 130 . 1 . 1 18 18 DG H1' H 1 6.216 0.0 . 1 . . 44 . A 18 DG H1' . 34898 1 131 . 1 . 1 18 18 DG H2' H 1 2.682 0.0 . 1 . . 136 . A 18 DG H2' . 34898 1 132 . 1 . 1 18 18 DG H2'' H 1 2.969 0.0 . 1 . . 137 . A 18 DG H2'' . 34898 1 133 . 1 . 1 18 18 DG H3' H 1 5.065 0.0 . 1 . . 138 . A 18 DG H3' . 34898 1 134 . 1 . 1 18 18 DG H8 H 1 7.831 0.0 . 1 . . 43 . A 18 DG H8 . 34898 1 135 . 1 . 1 18 18 DG C5 C 13 116.820 0.0 . 1 . . 166 . A 18 DG C5 . 34898 1 136 . 1 . 1 18 18 DG C8 C 13 138.097 . . 1 . . 45 . A 18 DG C8 . 34898 1 137 . 1 . 1 19 19 DG H1 H 1 11.187 0.001 . 1 . . 79 . A 19 DG H1 . 34898 1 138 . 1 . 1 19 19 DG H1' H 1 6.440 0.0 . 1 . . 47 . A 19 DG H1' . 34898 1 139 . 1 . 1 19 19 DG H2' H 1 2.693 0.0 . 1 . . 140 . A 19 DG H2' . 34898 1 140 . 1 . 1 19 19 DG H2'' H 1 2.563 0.0 . 1 . . 141 . A 19 DG H2'' . 34898 1 141 . 1 . 1 19 19 DG H3' H 1 5.094 0.0 . 1 . . 139 . A 19 DG H3' . 34898 1 142 . 1 . 1 19 19 DG H8 H 1 7.787 0.0 . 1 . . 46 . A 19 DG H8 . 34898 1 143 . 1 . 1 19 19 DG C5 C 13 117.228 0.0 . 1 . . 167 . A 19 DG C5 . 34898 1 144 . 1 . 1 19 19 DG C8 C 13 138.279 . . 1 . . 48 . A 19 DG C8 . 34898 1 145 . 1 . 1 21 21 DG H1 H 1 11.631 0.001 . 1 . . 76 . A 21 DG H1 . 34898 1 146 . 1 . 1 21 21 DG H1' H 1 6.103 0.0 . 1 . . 50 . A 21 DG H1' . 34898 1 147 . 1 . 1 21 21 DG H2' H 1 2.420 0.001 . 1 . . 149 . A 21 DG H2' . 34898 1 148 . 1 . 1 21 21 DG H2'' H 1 2.868 0.0 . 1 . . 150 . A 21 DG H2'' . 34898 1 149 . 1 . 1 21 21 DG H3' H 1 5.139 0.0 . 1 . . 148 . A 21 DG H3' . 34898 1 150 . 1 . 1 21 21 DG H8 H 1 8.010 0.001 . 1 . . 49 . A 21 DG H8 . 34898 1 151 . 1 . 1 21 21 DG C5 C 13 118.024 0.001 . 1 . . 168 . A 21 DG C5 . 34898 1 152 . 1 . 1 21 21 DG C8 C 13 138.335 . . 1 . . 51 . A 21 DG C8 . 34898 1 153 . 1 . 1 22 22 DG H1 H 1 11.430 0.001 . 1 . . 77 . A 22 DG H1 . 34898 1 154 . 1 . 1 22 22 DG H1' H 1 6.029 0.0 . 1 . . 53 . A 22 DG H1' . 34898 1 155 . 1 . 1 22 22 DG H2' H 1 2.685 0.001 . 1 . . 152 . A 22 DG H2' . 34898 1 156 . 1 . 1 22 22 DG H2'' H 1 2.763 0.001 . 1 . . 153 . A 22 DG H2'' . 34898 1 157 . 1 . 1 22 22 DG H3' H 1 5.055 0.001 . 1 . . 151 . A 22 DG H3' . 34898 1 158 . 1 . 1 22 22 DG H8 H 1 7.958 0.0 . 1 . . 52 . A 22 DG H8 . 34898 1 159 . 1 . 1 22 22 DG C5 C 13 116.804 0.001 . 1 . . 169 . A 22 DG C5 . 34898 1 160 . 1 . 1 22 22 DG C8 C 13 138.542 . . 1 . . 54 . A 22 DG C8 . 34898 1 161 . 1 . 1 23 23 DG H1 H 1 11.060 0.0 . 1 . . 78 . A 23 DG H1 . 34898 1 162 . 1 . 1 23 23 DG H1' H 1 6.029 0.0 . 1 . . 56 . A 23 DG H1' . 34898 1 163 . 1 . 1 23 23 DG H2' H 1 2.431 0.0 . 1 . . 154 . A 23 DG H2' . 34898 1 164 . 1 . 1 23 23 DG H2'' H 1 2.447 0.0 . 1 . . 155 . A 23 DG H2'' . 34898 1 165 . 1 . 1 23 23 DG H3' H 1 4.935 0.0 . 1 . . 156 . A 23 DG H3' . 34898 1 166 . 1 . 1 23 23 DG H8 H 1 7.545 0.0 . 1 . . 55 . A 23 DG H8 . 34898 1 167 . 1 . 1 23 23 DG C5 C 13 117.338 . . 1 . . 170 . A 23 DG C5 . 34898 1 168 . 1 . 1 23 23 DG C8 C 13 137.338 . . 1 . . 57 . A 23 DG C8 . 34898 1 169 . 1 . 1 24 24 DG H1' H 1 5.881 0.0 . 1 . . 59 . A 24 DG H1' . 34898 1 170 . 1 . 1 24 24 DG H2' H 1 2.385 0.001 . 1 . . 157 . A 24 DG H2' . 34898 1 171 . 1 . 1 24 24 DG H2'' H 1 2.211 0.0 . 1 . . 158 . A 24 DG H2'' . 34898 1 172 . 1 . 1 24 24 DG H8 H 1 7.657 0.0 . 1 . . 58 . A 24 DG H8 . 34898 1 173 . 1 . 1 24 24 DG C8 C 13 138.945 . . 1 . . 60 . A 24 DG C8 . 34898 1 stop_ save_