################################### # 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 34631 _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' . . . 34631 1 2 '2D 1H-13C HSQC' . . . 34631 1 3 '2D 1H-13C HMBC' . . . 34631 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 11.707 0.005 . 1 . . . . A 1 DG H1 . 34631 1 2 . 1 . 1 1 1 DG H1' H 1 5.743 0.002 . 1 . . . . A 1 DG H1' . 34631 1 3 . 1 . 1 1 1 DG H2' H 1 2.666 0.012 . 1 . . . . A 1 DG H2' . 34631 1 4 . 1 . 1 1 1 DG H2'' H 1 2.861 0.014 . 1 . . . . A 1 DG H2'' . 34631 1 5 . 1 . 1 1 1 DG H3' H 1 4.800 0.005 . 1 . . . . A 1 DG H3' . 34631 1 6 . 1 . 1 1 1 DG H4' H 1 4.234 0.006 . 1 . . . . A 1 DG H4' . 34631 1 7 . 1 . 1 1 1 DG H5' H 1 4.102 0.002 . 1 . . . . A 1 DG H5' . 34631 1 8 . 1 . 1 1 1 DG H8 H 1 7.240 0.004 . 1 . . . . A 1 DG H8 . 34631 1 9 . 1 . 1 1 1 DG H21 H 1 10.390 0.004 . 1 . . . . A 1 DG H21 . 34631 1 10 . 1 . 1 1 1 DG H22 H 1 6.181 0.002 . 1 . . . . A 1 DG H22 . 34631 1 11 . 1 . 1 1 1 DG C1' C 13 87.172 0.000 . 1 . . . . A 1 DG C1' . 34631 1 12 . 1 . 1 1 1 DG C2' C 13 35.072 0.010 . 1 . . . . A 1 DG C2' . 34631 1 13 . 1 . 1 1 1 DG C8 C 13 138.658 0.000 . 1 . . . . A 1 DG C8 . 34631 1 14 . 1 . 1 2 2 DG H1 H 1 11.941 0.002 . 1 . . . . A 2 DG H1 . 34631 1 15 . 1 . 1 2 2 DG H1' H 1 5.925 0.004 . 1 . . . . A 2 DG H1' . 34631 1 16 . 1 . 1 2 2 DG H2' H 1 2.318 0.006 . 1 . . . . A 2 DG H2' . 34631 1 17 . 1 . 1 2 2 DG H2'' H 1 2.453 0.014 . 1 . . . . A 2 DG H2'' . 34631 1 18 . 1 . 1 2 2 DG H3' H 1 4.934 0.003 . 1 . . . . A 2 DG H3' . 34631 1 19 . 1 . 1 2 2 DG H4' H 1 4.236 0.004 . 1 . . . . A 2 DG H4' . 34631 1 20 . 1 . 1 2 2 DG H5' H 1 4.089 0.005 . 1 . . . . A 2 DG H5' . 34631 1 21 . 1 . 1 2 2 DG H5'' H 1 3.993 0.004 . 1 . . . . A 2 DG H5'' . 34631 1 22 . 1 . 1 2 2 DG H8 H 1 7.652 0.001 . 1 . . . . A 2 DG H8 . 34631 1 23 . 1 . 1 2 2 DG C1' C 13 80.704 0.000 . 1 . . . . A 2 DG C1' . 34631 1 24 . 1 . 1 2 2 DG C2' C 13 37.148 0.024 . 1 . . . . A 2 DG C2' . 34631 1 25 . 1 . 1 2 2 DG C8 C 13 134.964 0.000 . 1 . . . . A 2 DG C8 . 34631 1 26 . 1 . 1 3 3 DC H1' H 1 6.179 0.003 . 1 . . . . A 3 DC H1' . 34631 1 27 . 1 . 1 3 3 DC H2' H 1 2.206 0.015 . 1 . . . . A 3 DC H2' . 34631 1 28 . 1 . 1 3 3 DC H2'' H 1 2.458 0.011 . 1 . . . . A 3 DC H2'' . 34631 1 29 . 1 . 1 3 3 DC H3' H 1 4.758 0.000 . 1 . . . . A 3 DC H3' . 34631 1 30 . 1 . 1 3 3 DC H4' H 1 4.227 0.002 . 1 . . . . A 3 DC H4' . 34631 1 31 . 1 . 1 3 3 DC H5 H 1 5.924 0.000 . 1 . . . . A 3 DC H5 . 34631 1 32 . 1 . 1 3 3 DC H5' H 1 4.023 0.000 . 1 . . . . A 3 DC H5' . 34631 1 33 . 1 . 1 3 3 DC H6 H 1 7.728 0.001 . 1 . . . . A 3 DC H6 . 34631 1 34 . 1 . 1 3 3 DC C1' C 13 85.901 0.000 . 1 . . . . A 3 DC C1' . 34631 1 35 . 1 . 1 3 3 DC C2' C 13 38.662 0.010 . 1 . . . . A 3 DC C2' . 34631 1 36 . 1 . 1 3 3 DC C6 C 13 141.251 0.000 . 1 . . . . A 3 DC C6 . 34631 1 37 . 1 . 1 4 4 DT H1' H 1 5.679 0.003 . 1 . . . . A 4 DT H1' . 34631 1 38 . 1 . 1 4 4 DT H2' H 1 1.681 0.011 . 1 . . . . A 4 DT H2' . 34631 1 39 . 1 . 1 4 4 DT H2'' H 1 2.027 0.009 . 1 . . . . A 4 DT H2'' . 34631 1 40 . 1 . 1 4 4 DT H3' H 1 4.732 0.000 . 1 . . . . A 4 DT H3' . 34631 1 41 . 1 . 1 4 4 DT H4' H 1 4.496 0.004 . 1 . . . . A 4 DT H4' . 34631 1 42 . 1 . 1 4 4 DT H5' H 1 4.050 0.004 . 1 . . . . A 4 DT H5' . 34631 1 43 . 1 . 1 4 4 DT H5'' H 1 3.956 0.011 . 1 . . . . A 4 DT H5'' . 34631 1 44 . 1 . 1 4 4 DT H6 H 1 7.220 0.003 . 1 . . . . A 4 DT H6 . 34631 1 45 . 1 . 1 4 4 DT H71 H 1 1.645 0.013 . 1 . . . . A 4 DT H71 . 34631 1 46 . 1 . 1 4 4 DT H72 H 1 1.645 0.013 . 1 . . . . A 4 DT H72 . 34631 1 47 . 1 . 1 4 4 DT H73 H 1 1.645 0.013 . 1 . . . . A 4 DT H73 . 34631 1 48 . 1 . 1 4 4 DT C1' C 13 84.691 0.000 . 1 . . . . A 4 DT C1' . 34631 1 49 . 1 . 1 4 4 DT C2' C 13 38.052 0.000 . 1 . . . . A 4 DT C2' . 34631 1 50 . 1 . 1 4 4 DT C6 C 13 136.215 0.000 . 1 . . . . A 4 DT C6 . 34631 1 51 . 1 . 1 4 4 DT C7 C 13 11.799 0.000 . 1 . . . . A 4 DT C7 . 34631 1 52 . 1 . 1 5 5 DT H1' H 1 5.726 0.004 . 1 . . . . A 5 DT H1' . 34631 1 53 . 1 . 1 5 5 DT H2' H 1 1.721 0.012 . 1 . . . . A 5 DT H2' . 34631 1 54 . 1 . 1 5 5 DT H2'' H 1 1.966 0.011 . 1 . . . . A 5 DT H2'' . 34631 1 55 . 1 . 1 5 5 DT H4' H 1 4.353 0.006 . 1 . . . . A 5 DT H4' . 34631 1 56 . 1 . 1 5 5 DT H5' H 1 3.416 0.045 . 1 . . . . A 5 DT H5' . 34631 1 57 . 1 . 1 5 5 DT H6 H 1 7.143 0.002 . 1 . . . . A 5 DT H6 . 34631 1 58 . 1 . 1 5 5 DT H71 H 1 1.376 0.015 . 1 . . . . A 5 DT H71 . 34631 1 59 . 1 . 1 5 5 DT H72 H 1 1.376 0.015 . 1 . . . . A 5 DT H72 . 34631 1 60 . 1 . 1 5 5 DT H73 H 1 1.376 0.015 . 1 . . . . A 5 DT H73 . 34631 1 61 . 1 . 1 5 5 DT C1' C 13 84.307 0.000 . 1 . . . . A 5 DT C1' . 34631 1 62 . 1 . 1 5 5 DT C2' C 13 38.444 0.009 . 1 . . . . A 5 DT C2' . 34631 1 63 . 1 . 1 5 5 DT C4' C 13 85.599 0.000 . 1 . . . . A 5 DT C4' . 34631 1 64 . 1 . 1 5 5 DT C6 C 13 136.159 0.000 . 1 . . . . A 5 DT C6 . 34631 1 65 . 1 . 1 5 5 DT C7 C 13 11.734 0.000 . 1 . . . . A 5 DT C7 . 34631 1 66 . 1 . 1 6 6 DA H1' H 1 5.992 0.007 . 1 . . . . A 6 DA H1' . 34631 1 67 . 1 . 1 6 6 DA H2 H 1 7.818 0.000 . 1 . . . . A 6 DA H2 . 34631 1 68 . 1 . 1 6 6 DA H2' H 1 2.326 0.004 . 1 . . . . A 6 DA H2' . 34631 1 69 . 1 . 1 6 6 DA H2'' H 1 2.621 0.003 . 1 . . . . A 6 DA H2'' . 34631 1 70 . 1 . 1 6 6 DA H3' H 1 4.731 0.002 . 1 . . . . A 6 DA H3' . 34631 1 71 . 1 . 1 6 6 DA H4' H 1 4.117 0.005 . 1 . . . . A 6 DA H4' . 34631 1 72 . 1 . 1 6 6 DA H5' H 1 4.008 0.000 . 1 . . . . A 6 DA H5' . 34631 1 73 . 1 . 1 6 6 DA H8 H 1 7.449 0.007 . 1 . . . . A 6 DA H8 . 34631 1 74 . 1 . 1 6 6 DA C1' C 13 83.851 0.000 . 1 . . . . A 6 DA C1' . 34631 1 75 . 1 . 1 6 6 DA C2 C 13 152.485 0.000 . 1 . . . . A 6 DA C2 . 34631 1 76 . 1 . 1 6 6 DA C8 C 13 136.933 0.000 . 1 . . . . A 6 DA C8 . 34631 1 77 . 1 . 1 7 7 DG H1 H 1 11.271 0.006 . 1 . . . . A 7 DG H1 . 34631 1 78 . 1 . 1 7 7 DG H1' H 1 5.691 0.004 . 1 . . . . A 7 DG H1' . 34631 1 79 . 1 . 1 7 7 DG H2' H 1 2.495 0.011 . 1 . . . . A 7 DG H2' . 34631 1 80 . 1 . 1 7 7 DG H2'' H 1 3.000 0.011 . 1 . . . . A 7 DG H2'' . 34631 1 81 . 1 . 1 7 7 DG H3' H 1 4.721 0.000 . 1 . . . . A 7 DG H3' . 34631 1 82 . 1 . 1 7 7 DG H4' H 1 4.170 0.006 . 1 . . . . A 7 DG H4' . 34631 1 83 . 1 . 1 7 7 DG H5' H 1 3.990 0.005 . 1 . . . . A 7 DG H5' . 34631 1 84 . 1 . 1 7 7 DG H8 H 1 7.125 0.004 . 1 . . . . A 7 DG H8 . 34631 1 85 . 1 . 1 7 7 DG C1' C 13 86.062 0.000 . 1 . . . . A 7 DG C1' . 34631 1 86 . 1 . 1 7 7 DG C2' C 13 33.287 0.004 . 1 . . . . A 7 DG C2' . 34631 1 87 . 1 . 1 7 7 DG C8 C 13 138.729 0.000 . 1 . . . . A 7 DG C8 . 34631 1 88 . 1 . 1 8 8 DG H1 H 1 11.700 0.002 . 1 . . . . A 8 DG H1 . 34631 1 89 . 1 . 1 8 8 DG H1' H 1 5.778 0.001 . 1 . . . . A 8 DG H1' . 34631 1 90 . 1 . 1 8 8 DG H2' H 1 2.314 0.012 . 1 . . . . A 8 DG H2' . 34631 1 91 . 1 . 1 8 8 DG H2'' H 1 2.526 0.009 . 1 . . . . A 8 DG H2'' . 34631 1 92 . 1 . 1 8 8 DG H3' H 1 4.756 0.006 . 1 . . . . A 8 DG H3' . 34631 1 93 . 1 . 1 8 8 DG H4' H 1 4.292 0.007 . 1 . . . . A 8 DG H4' . 34631 1 94 . 1 . 1 8 8 DG H5' H 1 3.870 0.008 . 1 . . . . A 8 DG H5' . 34631 1 95 . 1 . 1 8 8 DG H8 H 1 7.816 0.001 . 1 . . . . A 8 DG H8 . 34631 1 96 . 1 . 1 8 8 DG C1' C 13 81.255 0.000 . 1 . . . . A 8 DG C1' . 34631 1 97 . 1 . 1 8 8 DG C2' C 13 36.201 0.009 . 1 . . . . A 8 DG C2' . 34631 1 98 . 1 . 1 8 8 DG C8 C 13 135.975 0.000 . 1 . . . . A 8 DG C8 . 34631 1 99 . 1 . 1 9 9 DC H1' H 1 5.409 0.002 . 1 . . . . A 9 DC H1' . 34631 1 100 . 1 . 1 9 9 DC H2' H 1 0.977 0.007 . 1 . . . . A 9 DC H2' . 34631 1 101 . 1 . 1 9 9 DC H2'' H 1 1.983 0.008 . 1 . . . . A 9 DC H2'' . 34631 1 102 . 1 . 1 9 9 DC H3' H 1 4.749 0.000 . 1 . . . . A 9 DC H3' . 34631 1 103 . 1 . 1 9 9 DC H4' H 1 3.732 0.004 . 1 . . . . A 9 DC H4' . 34631 1 104 . 1 . 1 9 9 DC H5 H 1 5.337 0.004 . 1 . . . . A 9 DC H5 . 34631 1 105 . 1 . 1 9 9 DC H5' H 1 4.204 0.007 . 1 . . . . A 9 DC H5' . 34631 1 106 . 1 . 1 9 9 DC H5'' H 1 3.877 0.009 . 1 . . . . A 9 DC H5'' . 34631 1 107 . 1 . 1 9 9 DC H6 H 1 6.859 0.004 . 1 . . . . A 9 DC H6 . 34631 1 108 . 1 . 1 9 9 DC C1' C 13 82.545 0.000 . 1 . . . . A 9 DC C1' . 34631 1 109 . 1 . 1 9 9 DC C2' C 13 37.118 0.015 . 1 . . . . A 9 DC C2' . 34631 1 110 . 1 . 1 9 9 DC C4' C 13 80.890 0.000 . 1 . . . . A 9 DC C4' . 34631 1 111 . 1 . 1 9 9 DC C6 C 13 138.897 0.000 . 1 . . . . A 9 DC C6 . 34631 1 112 . 1 . 1 10 10 DT H1' H 1 6.303 0.003 . 1 . . . . A 10 DT H1' . 34631 1 113 . 1 . 1 10 10 DT H2' H 1 1.935 0.010 . 1 . . . . A 10 DT H2' . 34631 1 114 . 1 . 1 10 10 DT H3' H 1 4.909 0.007 . 1 . . . . A 10 DT H3' . 34631 1 115 . 1 . 1 10 10 DT H4' H 1 4.397 0.002 . 1 . . . . A 10 DT H4' . 34631 1 116 . 1 . 1 10 10 DT H5' H 1 3.377 0.006 . 1 . . . . A 10 DT H5' . 34631 1 117 . 1 . 1 10 10 DT H5'' H 1 3.305 0.012 . 1 . . . . A 10 DT H5'' . 34631 1 118 . 1 . 1 10 10 DT H6 H 1 6.960 0.002 . 1 . . . . A 10 DT H6 . 34631 1 119 . 1 . 1 10 10 DT H71 H 1 1.287 0.011 . 1 . . . . A 10 DT H71 . 34631 1 120 . 1 . 1 10 10 DT H72 H 1 1.287 0.011 . 1 . . . . A 10 DT H72 . 34631 1 121 . 1 . 1 10 10 DT H73 H 1 1.287 0.011 . 1 . . . . A 10 DT H73 . 34631 1 122 . 1 . 1 10 10 DT C2' C 13 35.875 0.000 . 1 . . . . A 10 DT C2' . 34631 1 123 . 1 . 1 10 10 DT C6 C 13 137.247 0.000 . 1 . . . . A 10 DT C6 . 34631 1 124 . 1 . 1 10 10 DT C7 C 13 11.047 0.000 . 1 . . . . A 10 DT C7 . 34631 1 125 . 1 . 1 11 11 DT H1' H 1 5.273 0.001 . 1 . . . . A 11 DT H1' . 34631 1 126 . 1 . 1 11 11 DT H2' H 1 1.587 0.011 . 1 . . . . A 11 DT H2' . 34631 1 127 . 1 . 1 11 11 DT H2'' H 1 2.304 0.012 . 1 . . . . A 11 DT H2'' . 34631 1 128 . 1 . 1 11 11 DT H3 H 1 10.133 0.001 . 1 . . . . A 11 DT H3 . 34631 1 129 . 1 . 1 11 11 DT H3' H 1 4.554 0.001 . 1 . . . . A 11 DT H3' . 34631 1 130 . 1 . 1 11 11 DT H4' H 1 4.287 0.003 . 1 . . . . A 11 DT H4' . 34631 1 131 . 1 . 1 11 11 DT H5' H 1 3.973 0.012 . 1 . . . . A 11 DT H5' . 34631 1 132 . 1 . 1 11 11 DT H5'' H 1 3.833 0.001 . 1 . . . . A 11 DT H5'' . 34631 1 133 . 1 . 1 11 11 DT H6 H 1 6.970 0.003 . 1 . . . . A 11 DT H6 . 34631 1 134 . 1 . 1 11 11 DT H71 H 1 1.330 0.012 . 1 . . . . A 11 DT H71 . 34631 1 135 . 1 . 1 11 11 DT H72 H 1 1.330 0.012 . 1 . . . . A 11 DT H72 . 34631 1 136 . 1 . 1 11 11 DT H73 H 1 1.330 0.012 . 1 . . . . A 11 DT H73 . 34631 1 137 . 1 . 1 11 11 DT C1' C 13 88.504 0.000 . 1 . . . . A 11 DT C1' . 34631 1 138 . 1 . 1 11 11 DT C2' C 13 40.485 0.033 . 1 . . . . A 11 DT C2' . 34631 1 139 . 1 . 1 11 11 DT C6 C 13 136.712 0.000 . 1 . . . . A 11 DT C6 . 34631 1 140 . 1 . 1 11 11 DT C7 C 13 11.779 0.000 . 1 . . . . A 11 DT C7 . 34631 1 141 . 1 . 1 12 12 DA H1' H 1 6.089 0.001 . 1 . . . . A 12 DA H1' . 34631 1 142 . 1 . 1 12 12 DA H2 H 1 7.569 0.000 . 1 . . . . A 12 DA H2 . 34631 1 143 . 1 . 1 12 12 DA H2' H 1 2.232 0.014 . 1 . . . . A 12 DA H2' . 34631 1 144 . 1 . 1 12 12 DA H2'' H 1 2.514 0.013 . 1 . . . . A 12 DA H2'' . 34631 1 145 . 1 . 1 12 12 DA H3' H 1 4.776 0.000 . 1 . . . . A 12 DA H3' . 34631 1 146 . 1 . 1 12 12 DA H4' H 1 4.378 0.001 . 1 . . . . A 12 DA H4' . 34631 1 147 . 1 . 1 12 12 DA H5' H 1 2.853 0.005 . 1 . . . . A 12 DA H5' . 34631 1 148 . 1 . 1 12 12 DA H5'' H 1 2.631 0.005 . 1 . . . . A 12 DA H5'' . 34631 1 149 . 1 . 1 12 12 DA H8 H 1 7.978 0.001 . 1 . . . . A 12 DA H8 . 34631 1 150 . 1 . 1 12 12 DA C1' C 13 82.582 0.000 . 1 . . . . A 12 DA C1' . 34631 1 151 . 1 . 1 12 12 DA C2 C 13 151.816 0.000 . 1 . . . . A 12 DA C2 . 34631 1 152 . 1 . 1 12 12 DA C2' C 13 40.195 0.002 . 1 . . . . A 12 DA C2' . 34631 1 153 . 1 . 1 12 12 DA C8 C 13 139.722 0.000 . 1 . . . . A 12 DA C8 . 34631 1 154 . 1 . 1 13 13 DG H1 H 1 11.912 0.001 . 1 . . . . A 13 DG H1 . 34631 1 155 . 1 . 1 13 13 DG H1' H 1 5.874 0.006 . 1 . . . . A 13 DG H1' . 34631 1 156 . 1 . 1 13 13 DG H2' H 1 2.304 0.026 . 1 . . . . A 13 DG H2' . 34631 1 157 . 1 . 1 13 13 DG H3' H 1 4.748 0.003 . 1 . . . . A 13 DG H3' . 34631 1 158 . 1 . 1 13 13 DG H4' H 1 4.281 0.001 . 1 . . . . A 13 DG H4' . 34631 1 159 . 1 . 1 13 13 DG H5' H 1 4.091 0.002 . 1 . . . . A 13 DG H5' . 34631 1 160 . 1 . 1 13 13 DG H8 H 1 7.328 0.002 . 1 . . . . A 13 DG H8 . 34631 1 161 . 1 . 1 13 13 DG C1' C 13 80.925 0.000 . 1 . . . . A 13 DG C1' . 34631 1 162 . 1 . 1 13 13 DG C2' C 13 38.282 0.000 . 1 . . . . A 13 DG C2' . 34631 1 163 . 1 . 1 13 13 DG C8 C 13 139.413 0.000 . 1 . . . . A 13 DG C8 . 34631 1 164 . 1 . 1 14 14 DG H1 H 1 11.730 0.003 . 1 . . . . A 14 DG H1 . 34631 1 165 . 1 . 1 14 14 DG H1' H 1 5.877 0.003 . 1 . . . . A 14 DG H1' . 34631 1 166 . 1 . 1 14 14 DG H2' H 1 2.635 0.012 . 1 . . . . A 14 DG H2' . 34631 1 167 . 1 . 1 14 14 DG H2'' H 1 3.211 0.014 . 1 . . . . A 14 DG H2'' . 34631 1 168 . 1 . 1 14 14 DG H3' H 1 4.745 0.000 . 1 . . . . A 14 DG H3' . 34631 1 169 . 1 . 1 14 14 DG H4' H 1 4.278 0.001 . 1 . . . . A 14 DG H4' . 34631 1 170 . 1 . 1 14 14 DG H5' H 1 4.083 0.005 . 1 . . . . A 14 DG H5' . 34631 1 171 . 1 . 1 14 14 DG H5'' H 1 3.954 0.004 . 1 . . . . A 14 DG H5'' . 34631 1 172 . 1 . 1 14 14 DG H8 H 1 7.462 0.003 . 1 . . . . A 14 DG H8 . 34631 1 173 . 1 . 1 14 14 DG C1' C 13 86.773 0.000 . 1 . . . . A 14 DG C1' . 34631 1 174 . 1 . 1 14 14 DG C2' C 13 32.445 0.009 . 1 . . . . A 14 DG C2' . 34631 1 175 . 1 . 1 14 14 DG C8 C 13 134.621 0.000 . 1 . . . . A 14 DG C8 . 34631 1 176 . 1 . 1 15 15 DC H1' H 1 6.221 0.003 . 1 . . . . A 15 DC H1' . 34631 1 177 . 1 . 1 15 15 DC H2' H 1 2.206 0.012 . 1 . . . . A 15 DC H2' . 34631 1 178 . 1 . 1 15 15 DC H2'' H 1 2.444 0.013 . 1 . . . . A 15 DC H2'' . 34631 1 179 . 1 . 1 15 15 DC H3' H 1 4.829 0.003 . 1 . . . . A 15 DC H3' . 34631 1 180 . 1 . 1 15 15 DC H4' H 1 4.363 0.001 . 1 . . . . A 15 DC H4' . 34631 1 181 . 1 . 1 15 15 DC H5 H 1 6.081 0.000 . 1 . . . . A 15 DC H5 . 34631 1 182 . 1 . 1 15 15 DC H5' H 1 4.158 0.008 . 1 . . . . A 15 DC H5' . 34631 1 183 . 1 . 1 15 15 DC H5'' H 1 4.033 0.004 . 1 . . . . A 15 DC H5'' . 34631 1 184 . 1 . 1 15 15 DC H6 H 1 7.909 0.004 . 1 . . . . A 15 DC H6 . 34631 1 185 . 1 . 1 15 15 DC C1' C 13 86.494 0.000 . 1 . . . . A 15 DC C1' . 34631 1 186 . 1 . 1 15 15 DC C2' C 13 39.293 0.003 . 1 . . . . A 15 DC C2' . 34631 1 187 . 1 . 1 15 15 DC C6 C 13 140.861 0.000 . 1 . . . . A 15 DC C6 . 34631 1 188 . 1 . 1 16 16 DT H1' H 1 6.201 0.003 . 1 . . . . A 16 DT H1' . 34631 1 189 . 1 . 1 16 16 DT H2' H 1 2.202 0.014 . 1 . . . . A 16 DT H2' . 34631 1 190 . 1 . 1 16 16 DT H2'' H 1 2.292 0.009 . 1 . . . . A 16 DT H2'' . 34631 1 191 . 1 . 1 16 16 DT H3' H 1 4.675 0.002 . 1 . . . . A 16 DT H3' . 34631 1 192 . 1 . 1 16 16 DT H4' H 1 4.183 0.002 . 1 . . . . A 16 DT H4' . 34631 1 193 . 1 . 1 16 16 DT H5' H 1 3.993 0.004 . 1 . . . . A 16 DT H5' . 34631 1 194 . 1 . 1 16 16 DT H6 H 1 7.601 0.001 . 1 . . . . A 16 DT H6 . 34631 1 195 . 1 . 1 16 16 DT H71 H 1 1.764 0.019 . 1 . . . . A 16 DT H71 . 34631 1 196 . 1 . 1 16 16 DT H72 H 1 1.764 0.019 . 1 . . . . A 16 DT H72 . 34631 1 197 . 1 . 1 16 16 DT H73 H 1 1.764 0.019 . 1 . . . . A 16 DT H73 . 34631 1 198 . 1 . 1 16 16 DT C1' C 13 84.963 0.000 . 1 . . . . A 16 DT C1' . 34631 1 199 . 1 . 1 16 16 DT C2' C 13 38.291 0.004 . 1 . . . . A 16 DT C2' . 34631 1 200 . 1 . 1 16 16 DT C6 C 13 137.191 0.000 . 1 . . . . A 16 DT C6 . 34631 1 201 . 1 . 1 16 16 DT C7 C 13 11.566 0.000 . 1 . . . . A 16 DT C7 . 34631 1 202 . 1 . 1 17 17 DT H1' H 1 5.520 0.001 . 1 . . . . A 17 DT H1' . 34631 1 203 . 1 . 1 17 17 DT H2' H 1 0.915 0.007 . 1 . . . . A 17 DT H2' . 34631 1 204 . 1 . 1 17 17 DT H2'' H 1 1.378 0.005 . 1 . . . . A 17 DT H2'' . 34631 1 205 . 1 . 1 17 17 DT H3' H 1 4.535 0.004 . 1 . . . . A 17 DT H3' . 34631 1 206 . 1 . 1 17 17 DT H4' H 1 4.183 0.006 . 1 . . . . A 17 DT H4' . 34631 1 207 . 1 . 1 17 17 DT H5' H 1 3.947 0.004 . 1 . . . . A 17 DT H5' . 34631 1 208 . 1 . 1 17 17 DT H5'' H 1 3.730 0.010 . 1 . . . . A 17 DT H5'' . 34631 1 209 . 1 . 1 17 17 DT H6 H 1 6.959 0.002 . 1 . . . . A 17 DT H6 . 34631 1 210 . 1 . 1 17 17 DT H71 H 1 1.351 0.014 . 1 . . . . A 17 DT H71 . 34631 1 211 . 1 . 1 17 17 DT H72 H 1 1.351 0.014 . 1 . . . . A 17 DT H72 . 34631 1 212 . 1 . 1 17 17 DT H73 H 1 1.351 0.014 . 1 . . . . A 17 DT H73 . 34631 1 213 . 1 . 1 17 17 DT C1' C 13 84.384 0.000 . 1 . . . . A 17 DT C1' . 34631 1 214 . 1 . 1 17 17 DT C2' C 13 36.451 0.020 . 1 . . . . A 17 DT C2' . 34631 1 215 . 1 . 1 17 17 DT C6 C 13 135.016 0.000 . 1 . . . . A 17 DT C6 . 34631 1 216 . 1 . 1 17 17 DT C7 C 13 11.297 0.000 . 1 . . . . A 17 DT C7 . 34631 1 217 . 1 . 1 18 18 DA H1' H 1 6.140 0.003 . 1 . . . . A 18 DA H1' . 34631 1 218 . 1 . 1 18 18 DA H2 H 1 8.162 0.001 . 1 . . . . A 18 DA H2 . 34631 1 219 . 1 . 1 18 18 DA H2' H 1 2.650 0.014 . 1 . . . . A 18 DA H2' . 34631 1 220 . 1 . 1 18 18 DA H2'' H 1 2.851 0.014 . 1 . . . . A 18 DA H2'' . 34631 1 221 . 1 . 1 18 18 DA H3' H 1 4.864 0.000 . 1 . . . . A 18 DA H3' . 34631 1 222 . 1 . 1 18 18 DA H4' H 1 4.238 0.002 . 1 . . . . A 18 DA H4' . 34631 1 223 . 1 . 1 18 18 DA H5' H 1 3.837 0.005 . 1 . . . . A 18 DA H5' . 34631 1 224 . 1 . 1 18 18 DA H5'' H 1 3.658 0.004 . 1 . . . . A 18 DA H5'' . 34631 1 225 . 1 . 1 18 18 DA H8 H 1 8.127 0.002 . 1 . . . . A 18 DA H8 . 34631 1 226 . 1 . 1 18 18 DA C1' C 13 82.936 0.000 . 1 . . . . A 18 DA C1' . 34631 1 227 . 1 . 1 18 18 DA C2 C 13 153.112 0.000 . 1 . . . . A 18 DA C2 . 34631 1 228 . 1 . 1 18 18 DA C2' C 13 36.239 0.001 . 1 . . . . A 18 DA C2' . 34631 1 229 . 1 . 1 18 18 DA C8 C 13 138.395 0.000 . 1 . . . . A 18 DA C8 . 34631 1 230 . 1 . 1 19 19 DG H1 H 1 11.566 0.006 . 1 . . . . A 19 DG H1 . 34631 1 231 . 1 . 1 19 19 DG H1' H 1 5.896 0.001 . 1 . . . . A 19 DG H1' . 34631 1 232 . 1 . 1 19 19 DG H2' H 1 2.807 0.013 . 1 . . . . A 19 DG H2' . 34631 1 233 . 1 . 1 19 19 DG H2'' H 1 3.384 0.017 . 1 . . . . A 19 DG H2'' . 34631 1 234 . 1 . 1 19 19 DG H3' H 1 4.801 0.005 . 1 . . . . A 19 DG H3' . 34631 1 235 . 1 . 1 19 19 DG H4' H 1 4.370 0.004 . 1 . . . . A 19 DG H4' . 34631 1 236 . 1 . 1 19 19 DG H5' H 1 4.162 0.007 . 1 . . . . A 19 DG H5' . 34631 1 237 . 1 . 1 19 19 DG H5'' H 1 4.043 0.006 . 1 . . . . A 19 DG H5'' . 34631 1 238 . 1 . 1 19 19 DG H8 H 1 7.152 0.002 . 1 . . . . A 19 DG H8 . 34631 1 239 . 1 . 1 19 19 DG C1' C 13 86.753 0.000 . 1 . . . . A 19 DG C1' . 34631 1 240 . 1 . 1 19 19 DG C2' C 13 32.722 0.003 . 1 . . . . A 19 DG C2' . 34631 1 241 . 1 . 1 19 19 DG C8 C 13 139.058 0.000 . 1 . . . . A 19 DG C8 . 34631 1 242 . 1 . 1 20 20 DG H1 H 1 11.540 0.001 . 1 . . . . A 20 DG H1 . 34631 1 243 . 1 . 1 20 20 DG H1' H 1 6.017 0.002 . 1 . . . . A 20 DG H1' . 34631 1 244 . 1 . 1 20 20 DG H2' H 1 2.214 0.018 . 1 . . . . A 20 DG H2' . 34631 1 245 . 1 . 1 20 20 DG H2'' H 1 2.443 0.016 . 1 . . . . A 20 DG H2'' . 34631 1 246 . 1 . 1 20 20 DG H3' H 1 4.603 0.000 . 1 . . . . A 20 DG H3' . 34631 1 247 . 1 . 1 20 20 DG H4' H 1 4.373 0.000 . 1 . . . . A 20 DG H4' . 34631 1 248 . 1 . 1 20 20 DG H5' H 1 4.187 0.004 . 1 . . . . A 20 DG H5' . 34631 1 249 . 1 . 1 20 20 DG H5'' H 1 4.083 0.001 . 1 . . . . A 20 DG H5'' . 34631 1 250 . 1 . 1 20 20 DG H8 H 1 8.042 0.001 . 1 . . . . A 20 DG H8 . 34631 1 251 . 1 . 1 20 20 DG C1' C 13 81.069 0.000 . 1 . . . . A 20 DG C1' . 34631 1 252 . 1 . 1 20 20 DG C2' C 13 39.862 0.004 . 1 . . . . A 20 DG C2' . 34631 1 253 . 1 . 1 20 20 DG C8 C 13 136.341 0.000 . 1 . . . . A 20 DG C8 . 34631 1 stop_ save_