################################### # 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 53682 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 20C_H2O _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-13C HMBC' . . . 53682 1 2 '2D 1H-1H NOESY' . . . 53682 1 3 '2D 1H-31P COSY' . . . 53682 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 53682 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 DG H1 H 1 12.163 0.01 . 1 . . . . . 1 DG H1 . 53682 1 2 . 1 . 1 1 1 DG H1' H 1 6.064 0.01 . 1 . . . . . 1 DG H1' . 53682 1 3 . 1 . 1 1 1 DG H2' H 1 2.843 0.01 . 1 . . . . . 1 DG H2' . 53682 1 4 . 1 . 1 1 1 DG H2'' H 1 2.994 0.01 . 1 . . . . . 1 DG H2'' . 53682 1 5 . 1 . 1 1 1 DG H3' H 1 5.058 0.01 . 1 . . . . . 1 DG H3' . 53682 1 6 . 1 . 1 1 1 DG H4' H 1 4.399 0.01 . 1 . . . . . 1 DG H4' . 53682 1 7 . 1 . 1 1 1 DG H5' H 1 3.974 0.01 . 2 . . . . . 1 DG H5' . 53682 1 8 . 1 . 1 1 1 DG H5'' H 1 3.974 0.01 . 2 . . . . . 1 DG H5'' . 53682 1 9 . 1 . 1 1 1 DG H8 H 1 7.423 0.01 . 1 . . . . . 1 DG H8 . 53682 1 10 . 1 . 1 1 1 DG C5 C 13 117.343 0.20 . 1 . . . . . 1 DG C5 . 53682 1 11 . 1 . 1 2 2 DG H1 H 1 12.211 0.01 . 1 . . . . . 2 DG H1 . 53682 1 12 . 1 . 1 2 2 DG H1' H 1 6.054 0.01 . 1 . . . . . 2 DG H1' . 53682 1 13 . 1 . 1 2 2 DG H2' H 1 3.039 0.01 . 1 . . . . . 2 DG H2' . 53682 1 14 . 1 . 1 2 2 DG H2'' H 1 2.380 0.01 . 1 . . . . . 2 DG H2'' . 53682 1 15 . 1 . 1 2 2 DG H3' H 1 5.169 0.01 . 1 . . . . . 2 DG H3' . 53682 1 16 . 1 . 1 2 2 DG H4' H 1 4.446 0.01 . 1 . . . . . 2 DG H4' . 53682 1 17 . 1 . 1 2 2 DG H8 H 1 8.216 0.01 . 1 . . . . . 2 DG H8 . 53682 1 18 . 1 . 1 2 2 DG C5 C 13 115.219 0.20 . 1 . . . . . 2 DG C5 . 53682 1 19 . 1 . 1 2 2 DG P P 31 -4.442 0.05 . 1 . . . . . 2 DG P . 53682 1 20 . 1 . 1 3 3 DT H1' H 1 6.220 0.01 . 1 . . . . . 3 DT H1' . 53682 1 21 . 1 . 1 3 3 DT H2' H 1 2.218 0.01 . 1 . . . . . 3 DT H2' . 53682 1 22 . 1 . 1 3 3 DT H2'' H 1 2.573 0.01 . 1 . . . . . 3 DT H2'' . 53682 1 23 . 1 . 1 3 3 DT H3' H 1 4.921 0.01 . 1 . . . . . 3 DT H3' . 53682 1 24 . 1 . 1 3 3 DT H4' H 1 4.316 0.01 . 1 . . . . . 3 DT H4' . 53682 1 25 . 1 . 1 3 3 DT H6 H 1 7.884 0.01 . 1 . . . . . 3 DT H6 . 53682 1 26 . 1 . 1 3 3 DT H71 H 1 1.995 0.01 . 3 . . . . . 3 DT H71 . 53682 1 27 . 1 . 1 3 3 DT H72 H 1 1.995 0.01 . 3 . . . . . 3 DT H72 . 53682 1 28 . 1 . 1 3 3 DT H73 H 1 1.995 0.01 . 3 . . . . . 3 DT H73 . 53682 1 29 . 1 . 1 3 3 DT P P 31 -2.554 0.05 . 1 . . . . . 3 DT P . 53682 1 30 . 1 . 1 4 4 DT H1' H 1 6.131 0.01 . 1 . . . . . 4 DT H1' . 53682 1 31 . 1 . 1 4 4 DT H2' H 1 2.111 0.01 . 1 . . . . . 4 DT H2' . 53682 1 32 . 1 . 1 4 4 DT H2'' H 1 2.691 0.01 . 1 . . . . . 4 DT H2'' . 53682 1 33 . 1 . 1 4 4 DT H3' H 1 4.926 0.01 . 1 . . . . . 4 DT H3' . 53682 1 34 . 1 . 1 4 4 DT H4' H 1 4.329 0.01 . 1 . . . . . 4 DT H4' . 53682 1 35 . 1 . 1 4 4 DT H5' H 1 4.213 0.01 . 2 . . . . . 4 DT H5' . 53682 1 36 . 1 . 1 4 4 DT H5'' H 1 3.949 0.01 . 2 . . . . . 4 DT H5'' . 53682 1 37 . 1 . 1 4 4 DT H6 H 1 7.232 0.01 . 1 . . . . . 4 DT H6 . 53682 1 38 . 1 . 1 4 4 DT H71 H 1 1.108 0.01 . 3 . . . . . 4 DT H71 . 53682 1 39 . 1 . 1 4 4 DT H72 H 1 1.108 0.01 . 3 . . . . . 4 DT H72 . 53682 1 40 . 1 . 1 4 4 DT H73 H 1 1.108 0.01 . 3 . . . . . 4 DT H73 . 53682 1 41 . 1 . 1 4 4 DT P P 31 -3.247 0.05 . 1 . . . . . 4 DT P . 53682 1 42 . 1 . 1 5 5 DG H1 H 1 12.317 0.01 . 1 . . . . . 5 DG H1 . 53682 1 43 . 1 . 1 5 5 DG H1' H 1 6.086 0.01 . 1 . . . . . 5 DG H1' . 53682 1 44 . 1 . 1 5 5 DG H2' H 1 3.482 0.01 . 1 . . . . . 5 DG H2' . 53682 1 45 . 1 . 1 5 5 DG H2'' H 1 2.976 0.01 . 1 . . . . . 5 DG H2'' . 53682 1 46 . 1 . 1 5 5 DG H3' H 1 4.926 0.01 . 1 . . . . . 5 DG H3' . 53682 1 47 . 1 . 1 5 5 DG H4' H 1 4.460 0.01 . 1 . . . . . 5 DG H4' . 53682 1 48 . 1 . 1 5 5 DG H5' H 1 4.360 0.01 . 2 . . . . . 5 DG H5' . 53682 1 49 . 1 . 1 5 5 DG H8 H 1 7.553 0.01 . 1 . . . . . 5 DG H8 . 53682 1 50 . 1 . 1 5 5 DG C5 C 13 116.578 0.20 . 1 . . . . . 5 DG C5 . 53682 1 51 . 1 . 1 6 6 DG H1 H 1 12.154 0.01 . 1 . . . . . 6 DG H1 . 53682 1 52 . 1 . 1 6 6 DG H1' H 1 6.008 0.01 . 1 . . . . . 6 DG H1' . 53682 1 53 . 1 . 1 6 6 DG H2' H 1 2.660 0.01 . 1 . . . . . 6 DG H2' . 53682 1 54 . 1 . 1 6 6 DG H2'' H 1 2.365 0.01 . 1 . . . . . 6 DG H2'' . 53682 1 55 . 1 . 1 6 6 DG H3' H 1 5.093 0.01 . 1 . . . . . 6 DG H3' . 53682 1 56 . 1 . 1 6 6 DG H4' H 1 4.426 0.01 . 1 . . . . . 6 DG H4' . 53682 1 57 . 1 . 1 6 6 DG H5' H 1 4.324 0.01 . 2 . . . . . 6 DG H5' . 53682 1 58 . 1 . 1 6 6 DG H5'' H 1 4.251 0.01 . 2 . . . . . 6 DG H5'' . 53682 1 59 . 1 . 1 6 6 DG H8 H 1 7.870 0.01 . 1 . . . . . 6 DG H8 . 53682 1 60 . 1 . 1 6 6 DG C5 C 13 115.306 0.20 . 1 . . . . . 6 DG C5 . 53682 1 61 . 1 . 1 6 6 DG P P 31 -4.368 0.05 . 1 . . . . . 6 DG P . 53682 1 62 . 1 . 1 7 7 DT H1' H 1 6.480 0.01 . 1 . . . . . 7 DT H1' . 53682 1 63 . 1 . 1 7 7 DT H2' H 1 2.471 0.01 . 1 . . . . . 7 DT H2' . 53682 1 64 . 1 . 1 7 7 DT H2'' H 1 2.646 0.01 . 1 . . . . . 7 DT H2'' . 53682 1 65 . 1 . 1 7 7 DT H3' H 1 4.778 0.01 . 1 . . . . . 7 DT H3' . 53682 1 66 . 1 . 1 7 7 DT H4' H 1 4.419 0.01 . 1 . . . . . 7 DT H4' . 53682 1 67 . 1 . 1 7 7 DT H5' H 1 4.247 0.01 . 2 . . . . . 7 DT H5' . 53682 1 68 . 1 . 1 7 7 DT H6 H 1 7.935 0.01 . 1 . . . . . 7 DT H6 . 53682 1 69 . 1 . 1 7 7 DT H71 H 1 1.993 0.01 . 3 . . . . . 7 DT H71 . 53682 1 70 . 1 . 1 7 7 DT H72 H 1 1.993 0.01 . 3 . . . . . 7 DT H72 . 53682 1 71 . 1 . 1 7 7 DT H73 H 1 1.993 0.01 . 3 . . . . . 7 DT H73 . 53682 1 72 . 1 . 1 7 7 DT P P 31 -3.568 0.05 . 1 . . . . . 7 DT P . 53682 1 73 . 1 . 1 8 8 DT H1' H 1 5.890 0.01 . 1 . . . . . 8 DT H1' . 53682 1 74 . 1 . 1 8 8 DT H2' H 1 1.796 0.01 . 1 . . . . . 8 DT H2' . 53682 1 75 . 1 . 1 8 8 DT H2'' H 1 2.135 0.01 . 1 . . . . . 8 DT H2'' . 53682 1 76 . 1 . 1 8 8 DT H3' H 1 4.665 0.01 . 1 . . . . . 8 DT H3' . 53682 1 77 . 1 . 1 8 8 DT H4' H 1 3.821 0.01 . 1 . . . . . 8 DT H4' . 53682 1 78 . 1 . 1 8 8 DT H5' H 1 4.069 0.01 . 2 . . . . . 8 DT H5' . 53682 1 79 . 1 . 1 8 8 DT H5'' H 1 3.958 0.01 . 2 . . . . . 8 DT H5'' . 53682 1 80 . 1 . 1 8 8 DT H6 H 1 7.236 0.01 . 1 . . . . . 8 DT H6 . 53682 1 81 . 1 . 1 8 8 DT H71 H 1 1.803 0.01 . 3 . . . . . 8 DT H71 . 53682 1 82 . 1 . 1 8 8 DT H72 H 1 1.803 0.01 . 3 . . . . . 8 DT H72 . 53682 1 83 . 1 . 1 8 8 DT H73 H 1 1.803 0.01 . 3 . . . . . 8 DT H73 . 53682 1 84 . 1 . 1 8 8 DT P P 31 -4.216 0.05 . 1 . . . . . 8 DT P . 53682 1 85 . 1 . 1 9 9 DT H1' H 1 5.725 0.01 . 1 . . . . . 9 DT H1' . 53682 1 86 . 1 . 1 9 9 DT H2' H 1 2.003 0.01 . 1 . . . . . 9 DT H2' . 53682 1 87 . 1 . 1 9 9 DT H2'' H 1 2.509 0.01 . 1 . . . . . 9 DT H2'' . 53682 1 88 . 1 . 1 9 9 DT H3' H 1 4.643 0.01 . 1 . . . . . 9 DT H3' . 53682 1 89 . 1 . 1 9 9 DT H4' H 1 3.914 0.01 . 1 . . . . . 9 DT H4' . 53682 1 90 . 1 . 1 9 9 DT H5' H 1 3.547 0.01 . 2 . . . . . 9 DT H5' . 53682 1 91 . 1 . 1 9 9 DT H6 H 1 7.259 0.01 . 1 . . . . . 9 DT H6 . 53682 1 92 . 1 . 1 9 9 DT H71 H 1 1.819 0.01 . 3 . . . . . 9 DT H71 . 53682 1 93 . 1 . 1 9 9 DT H72 H 1 1.819 0.01 . 3 . . . . . 9 DT H72 . 53682 1 94 . 1 . 1 9 9 DT H73 H 1 1.819 0.01 . 3 . . . . . 9 DT H73 . 53682 1 95 . 1 . 1 9 9 DT P P 31 -3.893 0.05 . 1 . . . . . 9 DT P . 53682 1 96 . 1 . 1 10 10 DG H1 H 1 11.941 0.01 . 1 . . . . . 10 DG H1 . 53682 1 97 . 1 . 1 10 10 DG H1' H 1 6.053 0.01 . 1 . . . . . 10 DG H1' . 53682 1 98 . 1 . 1 10 10 DG H2' H 1 3.715 0.01 . 1 . . . . . 10 DG H2' . 53682 1 99 . 1 . 1 10 10 DG H2'' H 1 2.885 0.01 . 1 . . . . . 10 DG H2'' . 53682 1 100 . 1 . 1 10 10 DG H3' H 1 4.897 0.01 . 1 . . . . . 10 DG H3' . 53682 1 101 . 1 . 1 10 10 DG H4' H 1 4.438 0.01 . 1 . . . . . 10 DG H4' . 53682 1 102 . 1 . 1 10 10 DG H5' H 1 4.285 0.01 . 2 . . . . . 10 DG H5' . 53682 1 103 . 1 . 1 10 10 DG H5'' H 1 4.171 0.01 . 2 . . . . . 10 DG H5'' . 53682 1 104 . 1 . 1 10 10 DG H8 H 1 7.467 0.01 . 1 . . . . . 10 DG H8 . 53682 1 105 . 1 . 1 10 10 DG C5 C 13 116.547 0.20 . 1 . . . . . 10 DG C5 . 53682 1 106 . 1 . 1 10 10 DG P P 31 -4.748 0.05 . 1 . . . . . 10 DG P . 53682 1 107 . 1 . 1 11 11 DG H1 H 1 11.922 0.01 . 1 . . . . . 11 DG H1 . 53682 1 108 . 1 . 1 11 11 DG H1' H 1 5.898 0.01 . 1 . . . . . 11 DG H1' . 53682 1 109 . 1 . 1 11 11 DG H2' H 1 2.699 0.01 . 1 . . . . . 11 DG H2' . 53682 1 110 . 1 . 1 11 11 DG H2'' H 1 2.289 0.01 . 1 . . . . . 11 DG H2'' . 53682 1 111 . 1 . 1 11 11 DG H3' H 1 5.179 0.01 . 1 . . . . . 11 DG H3' . 53682 1 112 . 1 . 1 11 11 DG H4' H 1 4.443 0.01 . 1 . . . . . 11 DG H4' . 53682 1 113 . 1 . 1 11 11 DG H5' H 1 4.293 0.01 . 2 . . . . . 11 DG H5' . 53682 1 114 . 1 . 1 11 11 DG H5'' H 1 4.255 0.01 . 2 . . . . . 11 DG H5'' . 53682 1 115 . 1 . 1 11 11 DG H8 H 1 8.087 0.01 . 1 . . . . . 11 DG H8 . 53682 1 116 . 1 . 1 11 11 DG C5 C 13 114.878 0.20 . 1 . . . . . 11 DG C5 . 53682 1 117 . 1 . 1 11 11 DG P P 31 -4.514 0.05 . 1 . . . . . 11 DG P . 53682 1 118 . 1 . 1 12 12 DT H1' H 1 6.340 0.01 . 1 . . . . . 12 DT H1' . 53682 1 119 . 1 . 1 12 12 DT H2' H 1 2.070 0.01 . 1 . . . . . 12 DT H2' . 53682 1 120 . 1 . 1 12 12 DT H2'' H 1 2.370 0.01 . 1 . . . . . 12 DT H2'' . 53682 1 121 . 1 . 1 12 12 DT H3' H 1 4.929 0.01 . 1 . . . . . 12 DT H3' . 53682 1 122 . 1 . 1 12 12 DT H4' H 1 4.488 0.01 . 1 . . . . . 12 DT H4' . 53682 1 123 . 1 . 1 12 12 DT H5' H 1 4.251 0.01 . 2 . . . . . 12 DT H5' . 53682 1 124 . 1 . 1 12 12 DT H5'' H 1 4.158 0.01 . 2 . . . . . 12 DT H5'' . 53682 1 125 . 1 . 1 12 12 DT H6 H 1 7.972 0.01 . 1 . . . . . 12 DT H6 . 53682 1 126 . 1 . 1 12 12 DT H71 H 1 2.136 0.01 . 3 . . . . . 12 DT H71 . 53682 1 127 . 1 . 1 12 12 DT H72 H 1 2.136 0.01 . 3 . . . . . 12 DT H72 . 53682 1 128 . 1 . 1 12 12 DT H73 H 1 2.136 0.01 . 3 . . . . . 12 DT H73 . 53682 1 129 . 1 . 1 12 12 DT P P 31 -3.111 0.05 . 1 . . . . . 12 DT P . 53682 1 130 . 1 . 1 13 13 DT H1' H 1 6.015 0.01 . 1 . . . . . 13 DT H1' . 53682 1 131 . 1 . 1 13 13 DT H2' H 1 1.988 0.01 . 1 . . . . . 13 DT H2' . 53682 1 132 . 1 . 1 13 13 DT H2'' H 1 2.428 0.01 . 1 . . . . . 13 DT H2'' . 53682 1 133 . 1 . 1 13 13 DT H3' H 1 4.846 0.01 . 1 . . . . . 13 DT H3' . 53682 1 134 . 1 . 1 13 13 DT H4' H 1 4.303 0.01 . 1 . . . . . 13 DT H4' . 53682 1 135 . 1 . 1 13 13 DT H5' H 1 4.063 0.01 . 2 . . . . . 13 DT H5' . 53682 1 136 . 1 . 1 13 13 DT H6 H 1 7.544 0.01 . 1 . . . . . 13 DT H6 . 53682 1 137 . 1 . 1 13 13 DT H71 H 1 1.730 0.01 . 3 . . . . . 13 DT H71 . 53682 1 138 . 1 . 1 13 13 DT H72 H 1 1.730 0.01 . 3 . . . . . 13 DT H72 . 53682 1 139 . 1 . 1 13 13 DT H73 H 1 1.730 0.01 . 3 . . . . . 13 DT H73 . 53682 1 140 . 1 . 1 13 13 DT P P 31 -3.847 0.05 . 1 . . . . . 13 DT P . 53682 1 141 . 1 . 1 14 14 DT H1' H 1 6.056 0.01 . 1 . . . . . 14 DT H1' . 53682 1 142 . 1 . 1 14 14 DT H2' H 1 2.340 0.01 . 1 . . . . . 14 DT H2' . 53682 1 143 . 1 . 1 14 14 DT H2'' H 1 2.526 0.01 . 1 . . . . . 14 DT H2'' . 53682 1 144 . 1 . 1 14 14 DT H3' H 1 4.921 0.01 . 1 . . . . . 14 DT H3' . 53682 1 145 . 1 . 1 14 14 DT H4' H 1 4.219 0.01 . 1 . . . . . 14 DT H4' . 53682 1 146 . 1 . 1 14 14 DT H5' H 1 4.059 0.01 . 2 . . . . . 14 DT H5' . 53682 1 147 . 1 . 1 14 14 DT H5'' H 1 3.965 0.01 . 2 . . . . . 14 DT H5'' . 53682 1 148 . 1 . 1 14 14 DT H6 H 1 7.295 0.01 . 1 . . . . . 14 DT H6 . 53682 1 149 . 1 . 1 14 14 DT H71 H 1 1.092 0.01 . 3 . . . . . 14 DT H71 . 53682 1 150 . 1 . 1 14 14 DT H72 H 1 1.092 0.01 . 3 . . . . . 14 DT H72 . 53682 1 151 . 1 . 1 14 14 DT H73 H 1 1.092 0.01 . 3 . . . . . 14 DT H73 . 53682 1 152 . 1 . 1 14 14 DT P P 31 -4.102 0.05 . 1 . . . . . 14 DT P . 53682 1 153 . 1 . 1 15 15 DG H1 H 1 12.090 0.01 . 1 . . . . . 15 DG H1 . 53682 1 154 . 1 . 1 15 15 DG H1' H 1 6.034 0.01 . 1 . . . . . 15 DG H1' . 53682 1 155 . 1 . 1 15 15 DG H2' H 1 3.462 0.01 . 1 . . . . . 15 DG H2' . 53682 1 156 . 1 . 1 15 15 DG H2'' H 1 2.869 0.01 . 1 . . . . . 15 DG H2'' . 53682 1 157 . 1 . 1 15 15 DG H3' H 1 4.960 0.01 . 1 . . . . . 15 DG H3' . 53682 1 158 . 1 . 1 15 15 DG H4' H 1 4.444 0.01 . 1 . . . . . 15 DG H4' . 53682 1 159 . 1 . 1 15 15 DG H5' H 1 4.328 0.01 . 2 . . . . . 15 DG H5' . 53682 1 160 . 1 . 1 15 15 DG H8 H 1 7.444 0.01 . 1 . . . . . 15 DG H8 . 53682 1 161 . 1 . 1 15 15 DG C5 C 13 116.750 0.20 . 1 . . . . . 15 DG C5 . 53682 1 162 . 1 . 1 15 15 DG P P 31 -3.358 0.05 . 1 . . . . . 15 DG P . 53682 1 163 . 1 . 1 16 16 DG H1 H 1 12.325 0.01 . 1 . . . . . 16 DG H1 . 53682 1 164 . 1 . 1 16 16 DG H1' H 1 6.201 0.01 . 1 . . . . . 16 DG H1' . 53682 1 165 . 1 . 1 16 16 DG H2' H 1 2.708 0.01 . 1 . . . . . 16 DG H2' . 53682 1 166 . 1 . 1 16 16 DG H2'' H 1 2.471 0.01 . 1 . . . . . 16 DG H2'' . 53682 1 167 . 1 . 1 16 16 DG H3' H 1 4.809 0.01 . 1 . . . . . 16 DG H3' . 53682 1 168 . 1 . 1 16 16 DG H4' H 1 4.277 0.01 . 1 . . . . . 16 DG H4' . 53682 1 169 . 1 . 1 16 16 DG H5' H 1 4.256 0.01 . 2 . . . . . 16 DG H5' . 53682 1 170 . 1 . 1 16 16 DG H5'' H 1 4.191 0.01 . 2 . . . . . 16 DG H5'' . 53682 1 171 . 1 . 1 16 16 DG H8 H 1 8.101 0.01 . 1 . . . . . 16 DG H8 . 53682 1 172 . 1 . 1 16 16 DG C5 C 13 114.653 0.20 . 1 . . . . . 16 DG C5 . 53682 1 173 . 1 . 1 16 16 DG P P 31 -4.261 0.05 . 1 . . . . . 16 DG P . 53682 1 stop_ save_