################################### # 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_non_exchangeable_protons_293K _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_non_exchangeable_protons_293K _Assigned_chem_shift_list.Entry_ID 19158 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $Non_exchangeable_protons_293K _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 2 '2D 1H-1H NOESY' . . . 19158 1 3 '2D 1H-1H TOCSY' . . . 19158 1 4 '2D DQF-COSY' . . . 19158 1 6 '2D [1H-31P]-HSQC' . . . 19158 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 DG H1 H 1 12.019 0.002 . 1 . . . A 1 DG H1 . 19158 1 2 . 1 1 1 1 DG H1' H 1 5.771 0.003 . 1 . . . A 1 DG H1' . 19158 1 3 . 1 1 1 1 DG H2' H 1 2.691 0.005 . 1 . . . A 1 DG H2' . 19158 1 4 . 1 1 1 1 DG H2'' H 1 2.491 0.002 . 1 . . . A 1 DG H2'' . 19158 1 5 . 1 1 1 1 DG H3' H 1 4.913 0.002 . 1 . . . A 1 DG H3' . 19158 1 6 . 1 1 1 1 DG H4' H 1 4.319 0.002 . 1 . . . A 1 DG H4' . 19158 1 7 . 1 1 1 1 DG H5' H 1 3.987 0.005 . 1 . . . A 1 DG H5' . 19158 1 8 . 1 1 1 1 DG H5'' H 1 3.832 0.002 . 1 . . . A 1 DG H5'' . 19158 1 9 . 1 1 1 1 DG H8 H 1 7.340 0.002 . 1 . . . A 1 DG H8 . 19158 1 10 . 1 1 1 1 DG H21 H 1 10.859 0.003 . 1 . . . A 1 DG H21 . 19158 1 11 . 1 1 1 1 DG H22 H 1 6.381 0.004 . 1 . . . A 1 DG H22 . 19158 1 12 . 1 1 2 2 DG H1 H 1 11.899 0.004 . 1 . . . A 2 DG H1 . 19158 1 13 . 1 1 2 2 DG H1' H 1 5.927 0.004 . 1 . . . A 2 DG H1' . 19158 1 14 . 1 1 2 2 DG H2' H 1 2.494 0.000 . 1 . . . A 2 DG H2' . 19158 1 15 . 1 1 2 2 DG H2'' H 1 2.191 0.003 . 1 . . . A 2 DG H2'' . 19158 1 16 . 1 1 2 2 DG H3' H 1 4.952 0.000 . 1 . . . A 2 DG H3' . 19158 1 17 . 1 1 2 2 DG H4' H 1 4.348 0.004 . 1 . . . A 2 DG H4' . 19158 1 18 . 1 1 2 2 DG H5' H 1 4.098 0.003 . 2 . . . A 2 DG H5' . 19158 1 19 . 1 1 2 2 DG H8 H 1 7.644 0.002 . 1 . . . A 2 DG H8 . 19158 1 20 . 1 1 3 3 DG H1' H 1 5.788 0.000 . 1 . . . A 3 DG H1' . 19158 1 21 . 1 1 3 3 DG H2' H 1 2.587 0.004 . 1 . . . A 3 DG H2' . 19158 1 22 . 1 1 3 3 DG H2'' H 1 2.499 0.004 . 1 . . . A 3 DG H2'' . 19158 1 23 . 1 1 3 3 DG H3' H 1 4.879 0.000 . 1 . . . A 3 DG H3' . 19158 1 24 . 1 1 3 3 DG H4' H 1 4.424 0.000 . 1 . . . A 3 DG H4' . 19158 1 25 . 1 1 3 3 DG H5' H 1 4.303 0.000 . 1 . . . A 3 DG H5' . 19158 1 26 . 1 1 3 3 DG H5'' H 1 4.116 0.000 . 1 . . . A 3 DG H5'' . 19158 1 27 . 1 1 3 3 DG H8 H 1 8.006 0.001 . 1 . . . A 3 DG H8 . 19158 1 28 . 1 1 4 4 DT H1' H 1 5.388 0.003 . 1 . . . A 4 DT H1' . 19158 1 29 . 1 1 4 4 DT H2' H 1 1.960 0.001 . 1 . . . A 4 DT H2' . 19158 1 30 . 1 1 4 4 DT H2'' H 1 1.866 0.000 . 1 . . . A 4 DT H2'' . 19158 1 31 . 1 1 4 4 DT H3' H 1 4.510 0.002 . 1 . . . A 4 DT H3' . 19158 1 32 . 1 1 4 4 DT H4' H 1 3.723 0.001 . 1 . . . A 4 DT H4' . 19158 1 33 . 1 1 4 4 DT H5' H 1 4.317 0.001 . 1 . . . A 4 DT H5' . 19158 1 34 . 1 1 4 4 DT H5'' H 1 3.881 0.000 . 1 . . . A 4 DT H5'' . 19158 1 35 . 1 1 4 4 DT H6 H 1 7.214 0.001 . 1 . . . A 4 DT H6 . 19158 1 36 . 1 1 4 4 DT H71 H 1 1.820 0.004 . 1 . . . A 4 DT H7 . 19158 1 37 . 1 1 4 4 DT H72 H 1 1.820 0.004 . 1 . . . A 4 DT H7 . 19158 1 38 . 1 1 4 4 DT H73 H 1 1.820 0.004 . 1 . . . A 4 DT H7 . 19158 1 39 . 1 1 5 5 DT H1' H 1 5.430 0.002 . 1 . . . A 5 DT H1' . 19158 1 40 . 1 1 5 5 DT H2' H 1 2.304 0.002 . 1 . . . A 5 DT H2' . 19158 1 41 . 1 1 5 5 DT H2'' H 1 1.719 0.000 . 1 . . . A 5 DT H2'' . 19158 1 42 . 1 1 5 5 DT H3 H 1 6.649 0.003 . 1 . . . A 5 DT H3 . 19158 1 43 . 1 1 5 5 DT H3' H 1 4.418 0.004 . 1 . . . A 5 DT H3' . 19158 1 44 . 1 1 5 5 DT H4' H 1 3.620 0.001 . 1 . . . A 5 DT H4' . 19158 1 45 . 1 1 5 5 DT H5' H 1 3.446 0.001 . 1 . . . A 5 DT H5' . 19158 1 46 . 1 1 5 5 DT H5'' H 1 2.577 0.002 . 1 . . . A 5 DT H5'' . 19158 1 47 . 1 1 5 5 DT H6 H 1 6.788 0.002 . 1 . . . A 5 DT H6 . 19158 1 48 . 1 1 5 5 DT H71 H 1 1.238 0.010 . 1 . . . A 5 DT H7 . 19158 1 49 . 1 1 5 5 DT H72 H 1 1.238 0.010 . 1 . . . A 5 DT H7 . 19158 1 50 . 1 1 5 5 DT H73 H 1 1.238 0.010 . 1 . . . A 5 DT H7 . 19158 1 51 . 1 1 6 6 DG H1 H 1 12.248 0.002 . 1 . . . A 6 DG H1 . 19158 1 52 . 1 1 6 6 DG H1' H 1 5.867 0.002 . 1 . . . A 6 DG H1' . 19158 1 53 . 1 1 6 6 DG H2' H 1 2.764 0.002 . 1 . . . A 6 DG H2' . 19158 1 54 . 1 1 6 6 DG H2'' H 1 2.569 0.002 . 1 . . . A 6 DG H2'' . 19158 1 55 . 1 1 6 6 DG H3' H 1 5.037 0.005 . 1 . . . A 6 DG H3' . 19158 1 56 . 1 1 6 6 DG H4' H 1 4.146 0.001 . 1 . . . A 6 DG H4' . 19158 1 57 . 1 1 6 6 DG H8 H 1 7.306 0.002 . 1 . . . A 6 DG H8 . 19158 1 58 . 1 1 6 6 DG H21 H 1 9.785 0.002 . 1 . . . A 6 DG H21 . 19158 1 59 . 1 1 6 6 DG H22 H 1 6.271 0.001 . 1 . . . A 6 DG H22 . 19158 1 60 . 1 1 7 7 DG H1 H 1 11.011 0.002 . 1 . . . A 7 DG H1 . 19158 1 61 . 1 1 7 7 DG H1' H 1 5.909 0.001 . 1 . . . A 7 DG H1' . 19158 1 62 . 1 1 7 7 DG H2' H 1 3.134 0.003 . 1 . . . A 7 DG H2' . 19158 1 63 . 1 1 7 7 DG H2'' H 1 2.595 0.000 . 1 . . . A 7 DG H2'' . 19158 1 64 . 1 1 7 7 DG H3' H 1 4.889 0.002 . 1 . . . A 7 DG H3' . 19158 1 65 . 1 1 7 7 DG H4' H 1 4.281 0.001 . 1 . . . A 7 DG H4' . 19158 1 66 . 1 1 7 7 DG H5' H 1 4.201 0.001 . 1 . . . A 7 DG H5' . 19158 1 67 . 1 1 7 7 DG H5'' H 1 4.130 0.002 . 1 . . . A 7 DG H5'' . 19158 1 68 . 1 1 7 7 DG H8 H 1 7.479 0.002 . 1 . . . A 7 DG H8 . 19158 1 69 . 1 1 7 7 DG H21 H 1 9.791 0.003 . 1 . . . A 7 DG H21 . 19158 1 70 . 1 1 7 7 DG H22 H 1 6.811 0.019 . 1 . . . A 7 DG H22 . 19158 1 71 . 1 1 8 8 DG H1 H 1 11.443 0.002 . 1 . . . A 8 DG H1 . 19158 1 72 . 1 1 8 8 DG H1' H 1 5.901 0.001 . 1 . . . A 8 DG H1' . 19158 1 73 . 1 1 8 8 DG H2' H 1 2.661 0.005 . 1 . . . A 8 DG H2' . 19158 1 74 . 1 1 8 8 DG H2'' H 1 2.595 0.002 . 1 . . . A 8 DG H2'' . 19158 1 75 . 1 1 8 8 DG H3' H 1 4.935 0.000 . 1 . . . A 8 DG H3' . 19158 1 76 . 1 1 8 8 DG H4' H 1 4.450 0.001 . 1 . . . A 8 DG H4' . 19158 1 77 . 1 1 8 8 DG H5' H 1 4.356 0.000 . 1 . . . A 8 DG H5' . 19158 1 78 . 1 1 8 8 DG H5'' H 1 4.045 0.003 . 1 . . . A 8 DG H5'' . 19158 1 79 . 1 1 8 8 DG H8 H 1 8.040 0.002 . 1 . . . A 8 DG H8 . 19158 1 80 . 1 1 8 8 DG H21 H 1 9.614 0.002 . 1 . . . A 8 DG H21 . 19158 1 81 . 1 1 9 9 DT H1' H 1 5.569 0.002 . 1 . . . A 9 DT H1' . 19158 1 82 . 1 1 9 9 DT H2' H 1 2.169 0.002 . 1 . . . A 9 DT H2' . 19158 1 83 . 1 1 9 9 DT H2'' H 1 1.444 0.002 . 1 . . . A 9 DT H2'' . 19158 1 84 . 1 1 9 9 DT H3' H 1 4.473 0.004 . 1 . . . A 9 DT H3' . 19158 1 85 . 1 1 9 9 DT H4' H 1 3.978 0.006 . 1 . . . A 9 DT H4' . 19158 1 86 . 1 1 9 9 DT H6 H 1 7.021 0.002 . 1 . . . A 9 DT H6 . 19158 1 87 . 1 1 9 9 DT H71 H 1 1.744 0.001 . 1 . . . A 9 DT H7 . 19158 1 88 . 1 1 9 9 DT H72 H 1 1.744 0.001 . 1 . . . A 9 DT H7 . 19158 1 89 . 1 1 9 9 DT H73 H 1 1.744 0.001 . 1 . . . A 9 DT H7 . 19158 1 90 . 1 1 10 10 DT H1' H 1 5.373 0.003 . 1 . . . A 10 DT H1' . 19158 1 91 . 1 1 10 10 DT H2' H 1 2.050 0.000 . 1 . . . A 10 DT H2' . 19158 1 92 . 1 1 10 10 DT H2'' H 1 1.855 0.001 . 1 . . . A 10 DT H2'' . 19158 1 93 . 1 1 10 10 DT H3' H 1 4.531 0.002 . 1 . . . A 10 DT H3' . 19158 1 94 . 1 1 10 10 DT H4' H 1 3.444 0.001 . 1 . . . A 10 DT H4' . 19158 1 95 . 1 1 10 10 DT H5' H 1 3.575 0.000 . 1 . . . A 10 DT H5' . 19158 1 96 . 1 1 10 10 DT H5'' H 1 3.497 0.000 . 1 . . . A 10 DT H5'' . 19158 1 97 . 1 1 10 10 DT H6 H 1 7.237 0.001 . 1 . . . A 10 DT H6 . 19158 1 98 . 1 1 10 10 DT H71 H 1 1.527 0.006 . 1 . . . A 10 DT H7 . 19158 1 99 . 1 1 10 10 DT H72 H 1 1.527 0.006 . 1 . . . A 10 DT H7 . 19158 1 100 . 1 1 10 10 DT H73 H 1 1.527 0.006 . 1 . . . A 10 DT H7 . 19158 1 101 . 1 1 11 11 DT H1' H 1 5.430 0.001 . 1 . . . A 11 DT H1' . 19158 1 102 . 1 1 11 11 DT H2' H 1 2.369 0.001 . 1 . . . A 11 DT H2' . 19158 1 103 . 1 1 11 11 DT H2'' H 1 1.680 0.001 . 1 . . . A 11 DT H2'' . 19158 1 104 . 1 1 11 11 DT H3 H 1 7.090 0.004 . 1 . . . A 11 DT H3 . 19158 1 105 . 1 1 11 11 DT H3' H 1 4.711 0.001 . 1 . . . A 11 DT H3' . 19158 1 106 . 1 1 11 11 DT H4' H 1 4.474 0.003 . 1 . . . A 11 DT H4' . 19158 1 107 . 1 1 11 11 DT H5' H 1 4.024 0.008 . 1 . . . A 11 DT H5' . 19158 1 108 . 1 1 11 11 DT H5'' H 1 3.968 0.001 . 1 . . . A 11 DT H5'' . 19158 1 109 . 1 1 11 11 DT H6 H 1 7.179 0.002 . 1 . . . A 11 DT H6 . 19158 1 110 . 1 1 11 11 DT H71 H 1 1.510 0.002 . 1 . . . A 11 DT H7 . 19158 1 111 . 1 1 11 11 DT H72 H 1 1.510 0.002 . 1 . . . A 11 DT H7 . 19158 1 112 . 1 1 11 11 DT H73 H 1 1.510 0.002 . 1 . . . A 11 DT H7 . 19158 1 113 . 1 1 12 12 DT H1' H 1 6.306 0.002 . 1 . . . A 12 DT H1' . 19158 1 114 . 1 1 12 12 DT H2' H 1 2.408 0.004 . 1 . . . A 12 DT H2' . 19158 1 115 . 1 1 12 12 DT H2'' H 1 2.049 0.000 . 1 . . . A 12 DT H2'' . 19158 1 116 . 1 1 12 12 DT H3' H 1 4.543 0.001 . 1 . . . A 12 DT H3' . 19158 1 117 . 1 1 12 12 DT H5' H 1 2.966 0.007 . 1 . . . A 12 DT H5' . 19158 1 118 . 1 1 12 12 DT H5'' H 1 2.808 0.002 . 1 . . . A 12 DT H5'' . 19158 1 119 . 1 1 12 12 DT H6 H 1 7.580 0.001 . 1 . . . A 12 DT H6 . 19158 1 120 . 1 1 12 12 DT H71 H 1 1.730 0.002 . 1 . . . A 12 DT H7 . 19158 1 121 . 1 1 12 12 DT H72 H 1 1.730 0.002 . 1 . . . A 12 DT H7 . 19158 1 122 . 1 1 12 12 DT H73 H 1 1.730 0.002 . 1 . . . A 12 DT H7 . 19158 1 123 . 1 1 13 13 DG H1 H 1 12.072 0.002 . 1 . . . A 13 DG H1 . 19158 1 124 . 1 1 13 13 DG H1' H 1 6.139 0.004 . 1 . . . A 13 DG H1' . 19158 1 125 . 1 1 13 13 DG H2' H 1 3.501 0.004 . 1 . . . A 13 DG H2' . 19158 1 126 . 1 1 13 13 DG H2'' H 1 3.042 0.002 . 1 . . . A 13 DG H2'' . 19158 1 127 . 1 1 13 13 DG H3' H 1 4.986 0.003 . 1 . . . A 13 DG H3' . 19158 1 128 . 1 1 13 13 DG H5' H 1 4.490 0.002 . 1 . . . A 13 DG H5' . 19158 1 129 . 1 1 13 13 DG H8 H 1 7.521 0.002 . 1 . . . A 13 DG H8 . 19158 1 130 . 1 1 13 13 DG H21 H 1 9.720 0.000 . 1 . . . A 13 DG H21 . 19158 1 131 . 1 1 13 13 DG H22 H 1 7.375 0.000 . 1 . . . A 13 DG H22 . 19158 1 132 . 1 1 14 14 DG H1 H 1 11.905 0.002 . 1 . . . A 14 DG H1 . 19158 1 133 . 1 1 14 14 DG H1' H 1 6.229 0.001 . 1 . . . A 14 DG H1' . 19158 1 134 . 1 1 14 14 DG H2' H 1 2.770 0.003 . 1 . . . A 14 DG H2' . 19158 1 135 . 1 1 14 14 DG H2'' H 1 2.445 0.001 . 1 . . . A 14 DG H2'' . 19158 1 136 . 1 1 14 14 DG H3' H 1 5.167 0.001 . 1 . . . A 14 DG H3' . 19158 1 137 . 1 1 14 14 DG H4' H 1 4.377 0.002 . 1 . . . A 14 DG H4' . 19158 1 138 . 1 1 14 14 DG H5' H 1 4.345 0.000 . 2 . . . A 14 DG H5' . 19158 1 139 . 1 1 14 14 DG H8 H 1 7.831 0.002 . 1 . . . A 14 DG H8 . 19158 1 140 . 1 1 14 14 DG H21 H 1 9.297 0.011 . 1 . . . A 14 DG H21 . 19158 1 141 . 1 1 14 14 DG H22 H 1 6.870 0.000 . 1 . . . A 14 DG H22 . 19158 1 142 . 1 1 15 15 DG H1' H 1 6.232 0.002 . 1 . . . A 15 DG H1' . 19158 1 143 . 1 1 15 15 DG H2' H 1 3.053 0.002 . 1 . . . A 15 DG H2' . 19158 1 144 . 1 1 15 15 DG H2'' H 1 2.459 0.007 . 1 . . . A 15 DG H2'' . 19158 1 145 . 1 1 15 15 DG H4' H 1 4.378 0.000 . 1 . . . A 15 DG H4' . 19158 1 146 . 1 1 15 15 DG H5' H 1 4.269 0.000 . 2 . . . A 15 DG H5' . 19158 1 147 . 1 1 15 15 DG H8 H 1 7.965 0.001 . 1 . . . A 15 DG H8 . 19158 1 148 . 1 1 16 16 DT H1' H 1 5.976 0.002 . 1 . . . A 16 DT H1' . 19158 1 149 . 1 1 16 16 DT H2' H 1 2.668 0.002 . 1 . . . A 16 DT H2' . 19158 1 150 . 1 1 16 16 DT H2'' H 1 2.020 0.001 . 1 . . . A 16 DT H2'' . 19158 1 151 . 1 1 16 16 DT H3 H 1 9.834 0.002 . 1 . . . A 16 DT H3 . 19158 1 152 . 1 1 16 16 DT H5' H 1 4.356 0.001 . 1 . . . A 16 DT H5' . 19158 1 153 . 1 1 16 16 DT H5'' H 1 4.092 0.008 . 1 . . . A 16 DT H5'' . 19158 1 154 . 1 1 16 16 DT H6 H 1 7.075 0.003 . 1 . . . A 16 DT H6 . 19158 1 155 . 1 1 16 16 DT H71 H 1 1.058 0.001 . 1 . . . A 16 DT H7 . 19158 1 156 . 1 1 16 16 DT H72 H 1 1.058 0.001 . 1 . . . A 16 DT H7 . 19158 1 157 . 1 1 16 16 DT H73 H 1 1.058 0.001 . 1 . . . A 16 DT H7 . 19158 1 158 . 1 1 17 17 DG H1 H 1 11.556 0.003 . 1 . . . A 17 DG H1 . 19158 1 159 . 1 1 17 17 DG H1' H 1 5.910 0.002 . 1 . . . A 17 DG H1' . 19158 1 160 . 1 1 17 17 DG H2' H 1 3.361 0.002 . 1 . . . A 17 DG H2' . 19158 1 161 . 1 1 17 17 DG H2'' H 1 2.808 0.003 . 1 . . . A 17 DG H2'' . 19158 1 162 . 1 1 17 17 DG H4' H 1 4.408 0.003 . 1 . . . A 17 DG H4' . 19158 1 163 . 1 1 17 17 DG H5' H 1 4.102 0.000 . 1 . . . A 17 DG H5' . 19158 1 164 . 1 1 17 17 DG H5'' H 1 4.066 0.003 . 1 . . . A 17 DG H5'' . 19158 1 165 . 1 1 17 17 DG H8 H 1 7.367 0.002 . 1 . . . A 17 DG H8 . 19158 1 166 . 1 1 17 17 DG H21 H 1 9.615 0.003 . 1 . . . A 17 DG H21 . 19158 1 167 . 1 1 17 17 DG H22 H 1 7.065 0.004 . 1 . . . A 17 DG H22 . 19158 1 168 . 1 1 18 18 DG H1 H 1 11.741 0.003 . 1 . . . A 18 DG H1 . 19158 1 169 . 1 1 18 18 DG H1' H 1 5.981 0.000 . 1 . . . A 18 DG H1' . 19158 1 170 . 1 1 18 18 DG H2' H 1 2.148 0.001 . 2 . . . A 18 DG H2' . 19158 1 171 . 1 1 18 18 DG H3' H 1 4.919 0.002 . 1 . . . A 18 DG H3' . 19158 1 172 . 1 1 18 18 DG H8 H 1 7.866 0.002 . 1 . . . A 18 DG H8 . 19158 1 173 . 1 1 19 19 DG H1 H 1 10.168 0.003 . 1 . . . A 19 DG H1 . 19158 1 174 . 1 1 19 19 DG H1' H 1 6.003 0.002 . 1 . . . A 19 DG H1' . 19158 1 175 . 1 1 19 19 DG H2' H 1 2.634 0.000 . 1 . . . A 19 DG H2' . 19158 1 176 . 1 1 19 19 DG H2'' H 1 2.566 0.001 . 1 . . . A 19 DG H2'' . 19158 1 177 . 1 1 19 19 DG H3' H 1 4.804 0.000 . 1 . . . A 19 DG H3' . 19158 1 178 . 1 1 19 19 DG H4' H 1 4.217 0.000 . 1 . . . A 19 DG H4' . 19158 1 179 . 1 1 19 19 DG H5' H 1 4.167 0.001 . 1 . . . A 19 DG H5' . 19158 1 180 . 1 1 19 19 DG H5'' H 1 4.121 0.000 . 1 . . . A 19 DG H5'' . 19158 1 181 . 1 1 19 19 DG H8 H 1 7.966 0.001 . 1 . . . A 19 DG H8 . 19158 1 stop_ save_ ################################### # 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_exchangeable_protons_278K _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_exchangeable_protons_278K _Assigned_chem_shift_list.Entry_ID 19158 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Exchangeable_protons_278K _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' . . . 19158 2 5 '2D [1H-13C] H1(C5)H8 JR HMBC' . . . 19158 2 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 DG H1' H 1 5.811 0.002 . 1 . . . A 1 DG H1' . 19158 2 2 . 1 1 1 1 DG H2' H 1 2.728 0.002 . 1 . . . A 1 DG H2' . 19158 2 3 . 1 1 1 1 DG H2'' H 1 2.560 0.003 . 1 . . . A 1 DG H2'' . 19158 2 4 . 1 1 1 1 DG H3' H 1 4.963 0.002 . 1 . . . A 1 DG H3' . 19158 2 5 . 1 1 1 1 DG H4' H 1 4.357 0.002 . 1 . . . A 1 DG H4' . 19158 2 6 . 1 1 1 1 DG H5' H 1 4.027 0.002 . 1 . . . A 1 DG H5' . 19158 2 7 . 1 1 1 1 DG H5'' H 1 3.877 0.006 . 1 . . . A 1 DG H5'' . 19158 2 8 . 1 1 1 1 DG H8 H 1 7.369 0.001 . 1 . . . A 1 DG H8 . 19158 2 9 . 1 1 2 2 DG H1' H 1 5.989 0.002 . 1 . . . A 2 DG H1' . 19158 2 10 . 1 1 2 2 DG H2' H 1 2.566 0.002 . 1 . . . A 2 DG H2' . 19158 2 11 . 1 1 2 2 DG H2'' H 1 2.248 0.001 . 1 . . . A 2 DG H2'' . 19158 2 12 . 1 1 2 2 DG H3' H 1 5.001 0.002 . 1 . . . A 2 DG H3' . 19158 2 13 . 1 1 2 2 DG H4' H 1 4.401 0.002 . 1 . . . A 2 DG H4' . 19158 2 14 . 1 1 2 2 DG H5' H 1 4.141 0.002 . 2 . . . A 2 DG H5' . 19158 2 15 . 1 1 2 2 DG H8 H 1 7.663 0.001 . 1 . . . A 2 DG H8 . 19158 2 16 . 1 1 2 2 DG P P 31 -4.450 0.001 . 1 . . . A 2 DG P . 19158 2 17 . 1 1 3 3 DG H1' H 1 5.850 0.002 . 1 . . . A 3 DG H1' . 19158 2 18 . 1 1 3 3 DG H2' H 1 2.646 0.002 . 1 . . . A 3 DG H2' . 19158 2 19 . 1 1 3 3 DG H2'' H 1 2.521 0.003 . 1 . . . A 3 DG H2'' . 19158 2 20 . 1 1 3 3 DG H3' H 1 4.921 0.002 . 1 . . . A 3 DG H3' . 19158 2 21 . 1 1 3 3 DG H4' H 1 4.461 0.004 . 1 . . . A 3 DG H4' . 19158 2 22 . 1 1 3 3 DG H5' H 1 4.330 0.005 . 1 . . . A 3 DG H5' . 19158 2 23 . 1 1 3 3 DG H5'' H 1 4.162 0.006 . 1 . . . A 3 DG H5'' . 19158 2 24 . 1 1 3 3 DG H8 H 1 8.023 0.001 . 1 . . . A 3 DG H8 . 19158 2 25 . 1 1 3 3 DG P P 31 -3.952 0.002 . 1 . . . A 3 DG P . 19158 2 26 . 1 1 4 4 DT H1' H 1 5.455 0.004 . 1 . . . A 4 DT H1' . 19158 2 27 . 1 1 4 4 DT H2' H 1 2.023 0.005 . 1 . . . A 4 DT H2' . 19158 2 28 . 1 1 4 4 DT H2'' H 1 1.920 0.003 . 1 . . . A 4 DT H2'' . 19158 2 29 . 1 1 4 4 DT H3' H 1 4.558 0.003 . 1 . . . A 4 DT H3' . 19158 2 30 . 1 1 4 4 DT H4' H 1 3.789 0.002 . 1 . . . A 4 DT H4' . 19158 2 31 . 1 1 4 4 DT H5' H 1 4.350 0.004 . 1 . . . A 4 DT H5' . 19158 2 32 . 1 1 4 4 DT H5'' H 1 3.928 0.005 . 1 . . . A 4 DT H5'' . 19158 2 33 . 1 1 4 4 DT H6 H 1 7.271 0.001 . 1 . . . A 4 DT H6 . 19158 2 34 . 1 1 4 4 DT H71 H 1 1.867 0.002 . 1 . . . A 4 DT H7 . 19158 2 35 . 1 1 4 4 DT H72 H 1 1.867 0.002 . 1 . . . A 4 DT H7 . 19158 2 36 . 1 1 4 4 DT H73 H 1 1.867 0.002 . 1 . . . A 4 DT H7 . 19158 2 37 . 1 1 4 4 DT P P 31 -3.470 0.002 . 1 . . . A 4 DT P . 19158 2 38 . 1 1 5 5 DT H1' H 1 5.498 0.003 . 1 . . . A 5 DT H1' . 19158 2 39 . 1 1 5 5 DT H2' H 1 2.332 0.002 . 1 . . . A 5 DT H2' . 19158 2 40 . 1 1 5 5 DT H2'' H 1 1.757 0.001 . 1 . . . A 5 DT H2'' . 19158 2 41 . 1 1 5 5 DT H3' H 1 4.467 0.003 . 1 . . . A 5 DT H3' . 19158 2 42 . 1 1 5 5 DT H4' H 1 3.640 0.002 . 1 . . . A 5 DT H4' . 19158 2 43 . 1 1 5 5 DT H5' H 1 3.499 0.005 . 1 . . . A 5 DT H5' . 19158 2 44 . 1 1 5 5 DT H5'' H 1 2.634 0.006 . 1 . . . A 5 DT H5'' . 19158 2 45 . 1 1 5 5 DT H6 H 1 6.876 0.001 . 1 . . . A 5 DT H6 . 19158 2 46 . 1 1 5 5 DT H71 H 1 1.274 0.002 . 1 . . . A 5 DT H7 . 19158 2 47 . 1 1 5 5 DT H72 H 1 1.274 0.002 . 1 . . . A 5 DT H7 . 19158 2 48 . 1 1 5 5 DT H73 H 1 1.274 0.002 . 1 . . . A 5 DT H7 . 19158 2 49 . 1 1 5 5 DT P P 31 -4.243 0.003 . 1 . . . A 5 DT P . 19158 2 50 . 1 1 6 6 DG H1' H 1 5.906 0.001 . 1 . . . A 6 DG H1' . 19158 2 51 . 1 1 6 6 DG H2' H 1 2.827 0.005 . 1 . . . A 6 DG H2' . 19158 2 52 . 1 1 6 6 DG H2'' H 1 2.627 0.002 . 1 . . . A 6 DG H2'' . 19158 2 53 . 1 1 6 6 DG H3' H 1 5.079 0.003 . 1 . . . A 6 DG H3' . 19158 2 54 . 1 1 6 6 DG H4' H 1 4.194 0.003 . 1 . . . A 6 DG H4' . 19158 2 55 . 1 1 6 6 DG H5' H 1 4.354 0.006 . 1 . . . A 6 DG H5' . 19158 2 56 . 1 1 6 6 DG H5'' H 1 3.987 0.002 . 1 . . . A 6 DG H5'' . 19158 2 57 . 1 1 6 6 DG H8 H 1 7.347 0.001 . 1 . . . A 6 DG H8 . 19158 2 58 . 1 1 6 6 DG P P 31 -4.871 0.003 . 1 . . . A 6 DG P . 19158 2 59 . 1 1 7 7 DG H1' H 1 5.950 0.002 . 1 . . . A 7 DG H1' . 19158 2 60 . 1 1 7 7 DG H2' H 1 3.161 0.001 . 1 . . . A 7 DG H2' . 19158 2 61 . 1 1 7 7 DG H2'' H 1 2.654 0.002 . 1 . . . A 7 DG H2'' . 19158 2 62 . 1 1 7 7 DG H3' H 1 4.933 0.003 . 1 . . . A 7 DG H3' . 19158 2 63 . 1 1 7 7 DG H4' H 1 4.329 0.005 . 1 . . . A 7 DG H4' . 19158 2 64 . 1 1 7 7 DG H5' H 1 4.232 0.001 . 1 . . . A 7 DG H5' . 19158 2 65 . 1 1 7 7 DG H5'' H 1 4.184 0.005 . 1 . . . A 7 DG H5'' . 19158 2 66 . 1 1 7 7 DG H8 H 1 7.539 0.001 . 1 . . . A 7 DG H8 . 19158 2 67 . 1 1 7 7 DG P P 31 -4.732 0.005 . 1 . . . A 7 DG P . 19158 2 68 . 1 1 8 8 DG H1' H 1 5.951 0.003 . 1 . . . A 8 DG H1' . 19158 2 69 . 1 1 8 8 DG H2' H 1 2.718 0.004 . 1 . . . A 8 DG H2' . 19158 2 70 . 1 1 8 8 DG H2'' H 1 2.639 0.001 . 1 . . . A 8 DG H2'' . 19158 2 71 . 1 1 8 8 DG H3' H 1 4.991 0.002 . 1 . . . A 8 DG H3' . 19158 2 72 . 1 1 8 8 DG H4' H 1 4.493 0.002 . 1 . . . A 8 DG H4' . 19158 2 73 . 1 1 8 8 DG H5' H 1 4.397 0.009 . 1 . . . A 8 DG H5' . 19158 2 74 . 1 1 8 8 DG H5'' H 1 4.089 0.002 . 1 . . . A 8 DG H5'' . 19158 2 75 . 1 1 8 8 DG H8 H 1 8.048 0.001 . 1 . . . A 8 DG H8 . 19158 2 76 . 1 1 8 8 DG P P 31 -4.232 0.003 . 1 . . . A 8 DG P . 19158 2 77 . 1 1 9 9 DT H1' H 1 5.606 0.002 . 1 . . . A 9 DT H1' . 19158 2 78 . 1 1 9 9 DT H2' H 1 2.232 0.002 . 1 . . . A 9 DT H2' . 19158 2 79 . 1 1 9 9 DT H2'' H 1 1.525 0.002 . 1 . . . A 9 DT H2'' . 19158 2 80 . 1 1 9 9 DT H3' H 1 4.515 0.005 . 1 . . . A 9 DT H3' . 19158 2 81 . 1 1 9 9 DT H4' H 1 4.034 0.002 . 1 . . . A 9 DT H4' . 19158 2 82 . 1 1 9 9 DT H5' H 1 3.631 0.003 . 1 . . . A 9 DT H5' . 19158 2 83 . 1 1 9 9 DT H5'' H 1 3.527 0.006 . 1 . . . A 9 DT H5'' . 19158 2 84 . 1 1 9 9 DT H6 H 1 7.076 0.001 . 1 . . . A 9 DT H6 . 19158 2 85 . 1 1 9 9 DT H71 H 1 1.795 0.002 . 1 . . . A 9 DT H7 . 19158 2 86 . 1 1 9 9 DT H72 H 1 1.795 0.002 . 1 . . . A 9 DT H7 . 19158 2 87 . 1 1 9 9 DT H73 H 1 1.795 0.002 . 1 . . . A 9 DT H7 . 19158 2 88 . 1 1 9 9 DT P P 31 -3.895 0.003 . 1 . . . A 9 DT P . 19158 2 89 . 1 1 10 10 DT H1' H 1 5.450 0.003 . 1 . . . A 10 DT H1' . 19158 2 90 . 1 1 10 10 DT H2' H 1 2.078 0.000 . 1 . . . A 10 DT H2' . 19158 2 91 . 1 1 10 10 DT H2'' H 1 1.912 0.004 . 1 . . . A 10 DT H2'' . 19158 2 92 . 1 1 10 10 DT H3' H 1 4.579 0.004 . 1 . . . A 10 DT H3' . 19158 2 93 . 1 1 10 10 DT H4' H 1 3.510 0.002 . 1 . . . A 10 DT H4' . 19158 2 94 . 1 1 10 10 DT H5' H 1 3.639 0.004 . 1 . . . A 10 DT H5' . 19158 2 95 . 1 1 10 10 DT H5'' H 1 3.549 0.002 . 1 . . . A 10 DT H5'' . 19158 2 96 . 1 1 10 10 DT H6 H 1 7.283 0.001 . 1 . . . A 10 DT H6 . 19158 2 97 . 1 1 10 10 DT H71 H 1 1.576 0.002 . 1 . . . A 10 DT H7 . 19158 2 98 . 1 1 10 10 DT H72 H 1 1.576 0.002 . 1 . . . A 10 DT H7 . 19158 2 99 . 1 1 10 10 DT H73 H 1 1.576 0.002 . 1 . . . A 10 DT H7 . 19158 2 100 . 1 1 10 10 DT P P 31 -4.089 0.001 . 1 . . . A 10 DT P . 19158 2 101 . 1 1 11 11 DT H1' H 1 5.489 0.002 . 1 . . . A 11 DT H1' . 19158 2 102 . 1 1 11 11 DT H2' H 1 2.419 0.003 . 1 . . . A 11 DT H2' . 19158 2 103 . 1 1 11 11 DT H2'' H 1 1.757 0.007 . 1 . . . A 11 DT H2'' . 19158 2 104 . 1 1 11 11 DT H3' H 1 4.753 0.002 . 1 . . . A 11 DT H3' . 19158 2 105 . 1 1 11 11 DT H4' H 1 4.493 0.003 . 1 . . . A 11 DT H4' . 19158 2 106 . 1 1 11 11 DT H5' H 1 4.085 0.006 . 1 . . . A 11 DT H5' . 19158 2 107 . 1 1 11 11 DT H5'' H 1 3.997 0.004 . 1 . . . A 11 DT H5'' . 19158 2 108 . 1 1 11 11 DT H6 H 1 7.227 0.001 . 1 . . . A 11 DT H6 . 19158 2 109 . 1 1 11 11 DT H71 H 1 1.560 0.002 . 1 . . . A 11 DT H7 . 19158 2 110 . 1 1 11 11 DT H72 H 1 1.560 0.002 . 1 . . . A 11 DT H7 . 19158 2 111 . 1 1 11 11 DT H73 H 1 1.560 0.002 . 1 . . . A 11 DT H7 . 19158 2 112 . 1 1 11 11 DT P P 31 -4.562 0.001 . 1 . . . A 11 DT P . 19158 2 113 . 1 1 12 12 DT H1' H 1 6.327 0.001 . 1 . . . A 12 DT H1' . 19158 2 114 . 1 1 12 12 DT H2' H 1 2.463 0.001 . 1 . . . A 12 DT H2' . 19158 2 115 . 1 1 12 12 DT H2'' H 1 2.099 0.002 . 1 . . . A 12 DT H2'' . 19158 2 116 . 1 1 12 12 DT H3' H 1 4.595 0.002 . 1 . . . A 12 DT H3' . 19158 2 117 . 1 1 12 12 DT H4' H 1 3.091 0.003 . 1 . . . A 12 DT H4' . 19158 2 118 . 1 1 12 12 DT H5' H 1 3.002 0.004 . 1 . . . A 12 DT H5' . 19158 2 119 . 1 1 12 12 DT H5'' H 1 2.902 0.002 . 1 . . . A 12 DT H5'' . 19158 2 120 . 1 1 12 12 DT H6 H 1 7.640 0.001 . 1 . . . A 12 DT H6 . 19158 2 121 . 1 1 12 12 DT H71 H 1 1.771 0.002 . 1 . . . A 12 DT H7 . 19158 2 122 . 1 1 12 12 DT H72 H 1 1.771 0.002 . 1 . . . A 12 DT H7 . 19158 2 123 . 1 1 12 12 DT H73 H 1 1.771 0.002 . 1 . . . A 12 DT H7 . 19158 2 124 . 1 1 12 12 DT P P 31 -3.192 0.003 . 1 . . . A 12 DT P . 19158 2 125 . 1 1 13 13 DG H1' H 1 6.177 0.002 . 1 . . . A 13 DG H1' . 19158 2 126 . 1 1 13 13 DG H2' H 1 3.547 0.001 . 1 . . . A 13 DG H2' . 19158 2 127 . 1 1 13 13 DG H2'' H 1 3.088 0.002 . 1 . . . A 13 DG H2'' . 19158 2 128 . 1 1 13 13 DG H3' H 1 5.033 0.003 . 1 . . . A 13 DG H3' . 19158 2 129 . 1 1 13 13 DG H4' H 1 4.900 0.003 . 1 . . . A 13 DG H4' . 19158 2 130 . 1 1 13 13 DG H5' H 1 4.532 0.004 . 1 . . . A 13 DG H5' . 19158 2 131 . 1 1 13 13 DG H5'' H 1 4.215 0.000 . 1 . . . A 13 DG H5'' . 19158 2 132 . 1 1 13 13 DG H8 H 1 7.549 0.001 . 1 . . . A 13 DG H8 . 19158 2 133 . 1 1 13 13 DG P P 31 -4.079 0.001 . 1 . . . A 13 DG P . 19158 2 134 . 1 1 14 14 DG H1' H 1 6.283 0.003 . 1 . . . A 14 DG H1' . 19158 2 135 . 1 1 14 14 DG H2' H 1 2.821 0.001 . 1 . . . A 14 DG H2' . 19158 2 136 . 1 1 14 14 DG H2'' H 1 2.514 0.003 . 1 . . . A 14 DG H2'' . 19158 2 137 . 1 1 14 14 DG H3' H 1 5.218 0.002 . 1 . . . A 14 DG H3' . 19158 2 138 . 1 1 14 14 DG H4' H 1 4.427 0.002 . 1 . . . A 14 DG H4' . 19158 2 139 . 1 1 14 14 DG H5' H 1 4.391 0.002 . 2 . . . A 14 DG H5' . 19158 2 140 . 1 1 14 14 DG H8 H 1 7.876 0.001 . 1 . . . A 14 DG H8 . 19158 2 141 . 1 1 14 14 DG P P 31 -4.394 0.000 . 1 . . . A 14 DG P . 19158 2 142 . 1 1 15 15 DG H1' H 1 6.284 0.002 . 1 . . . A 15 DG H1' . 19158 2 143 . 1 1 15 15 DG H2' H 1 3.102 0.003 . 1 . . . A 15 DG H2' . 19158 2 144 . 1 1 15 15 DG H2'' H 1 2.517 0.002 . 1 . . . A 15 DG H2'' . 19158 2 145 . 1 1 15 15 DG H3' H 1 5.093 0.002 . 1 . . . A 15 DG H3' . 19158 2 146 . 1 1 15 15 DG H4' H 1 4.433 0.002 . 1 . . . A 15 DG H4' . 19158 2 147 . 1 1 15 15 DG H5' H 1 4.261 0.004 . 2 . . . A 15 DG H5' . 19158 2 148 . 1 1 15 15 DG H8 H 1 8.018 0.001 . 1 . . . A 15 DG H8 . 19158 2 149 . 1 1 15 15 DG P P 31 -5.657 0.001 . 1 . . . A 15 DG P . 19158 2 150 . 1 1 16 16 DT H1' H 1 6.042 0.002 . 1 . . . A 16 DT H1' . 19158 2 151 . 1 1 16 16 DT H2' H 1 2.711 0.004 . 1 . . . A 16 DT H2' . 19158 2 152 . 1 1 16 16 DT H2'' H 1 2.086 0.002 . 1 . . . A 16 DT H2'' . 19158 2 153 . 1 1 16 16 DT H3' H 1 4.989 0.002 . 1 . . . A 16 DT H3' . 19158 2 154 . 1 1 16 16 DT H4' H 1 4.450 0.001 . 1 . . . A 16 DT H4' . 19158 2 155 . 1 1 16 16 DT H5' H 1 4.404 0.003 . 1 . . . A 16 DT H5' . 19158 2 156 . 1 1 16 16 DT H5'' H 1 4.148 0.004 . 1 . . . A 16 DT H5'' . 19158 2 157 . 1 1 16 16 DT H6 H 1 7.141 0.001 . 1 . . . A 16 DT H6 . 19158 2 158 . 1 1 16 16 DT H71 H 1 1.118 0.002 . 1 . . . A 16 DT H7 . 19158 2 159 . 1 1 16 16 DT H72 H 1 1.118 0.002 . 1 . . . A 16 DT H7 . 19158 2 160 . 1 1 16 16 DT H73 H 1 1.118 0.002 . 1 . . . A 16 DT H7 . 19158 2 161 . 1 1 16 16 DT P P 31 -5.623 0.001 . 1 . . . A 16 DT P . 19158 2 162 . 1 1 17 17 DG H1' H 1 5.952 0.001 . 1 . . . A 17 DG H1' . 19158 2 163 . 1 1 17 17 DG H2' H 1 3.451 0.002 . 1 . . . A 17 DG H2' . 19158 2 164 . 1 1 17 17 DG H2'' H 1 2.856 0.002 . 1 . . . A 17 DG H2'' . 19158 2 165 . 1 1 17 17 DG H3' H 1 4.998 0.004 . 1 . . . A 17 DG H3' . 19158 2 166 . 1 1 17 17 DG H4' H 1 4.450 0.001 . 1 . . . A 17 DG H4' . 19158 2 167 . 1 1 17 17 DG H5' H 1 4.164 0.003 . 1 . . . A 17 DG H5' . 19158 2 168 . 1 1 17 17 DG H5'' H 1 4.098 0.006 . 1 . . . A 17 DG H5'' . 19158 2 169 . 1 1 17 17 DG H8 H 1 7.408 0.001 . 1 . . . A 17 DG H8 . 19158 2 170 . 1 1 17 17 DG P P 31 -4.915 0.003 . 1 . . . A 17 DG P . 19158 2 171 . 1 1 18 18 DG H1' H 1 6.041 0.002 . 1 . . . A 18 DG H1' . 19158 2 172 . 1 1 18 18 DG H2' H 1 2.256 0.002 . 2 . . . A 18 DG H2' . 19158 2 173 . 1 1 18 18 DG H3' H 1 4.976 0.002 . 1 . . . A 18 DG H3' . 19158 2 174 . 1 1 18 18 DG H4' H 1 4.331 0.002 . 1 . . . A 18 DG H4' . 19158 2 175 . 1 1 18 18 DG H5' H 1 4.129 0.002 . 2 . . . A 18 DG H5' . 19158 2 176 . 1 1 18 18 DG H8 H 1 7.912 0.002 . 1 . . . A 18 DG H8 . 19158 2 177 . 1 1 18 18 DG P P 31 -4.383 0.001 . 1 . . . A 18 DG P . 19158 2 178 . 1 1 19 19 DG H1' H 1 6.092 0.001 . 1 . . . A 19 DG H1' . 19158 2 179 . 1 1 19 19 DG H2' H 1 2.662 0.001 . 1 . . . A 19 DG H2' . 19158 2 180 . 1 1 19 19 DG H2'' H 1 2.603 0.001 . 1 . . . A 19 DG H2'' . 19158 2 181 . 1 1 19 19 DG H3' H 1 4.831 0.000 . 1 . . . A 19 DG H3' . 19158 2 182 . 1 1 19 19 DG H4' H 1 4.211 0.003 . 1 . . . A 19 DG H4' . 19158 2 183 . 1 1 19 19 DG H5' H 1 4.314 0.003 . 1 . . . A 19 DG H5' . 19158 2 184 . 1 1 19 19 DG H5'' H 1 4.171 0.001 . 1 . . . A 19 DG H5'' . 19158 2 185 . 1 1 19 19 DG H8 H 1 8.014 0.002 . 1 . . . A 19 DG H8 . 19158 2 186 . 1 1 19 19 DG P P 31 -4.463 0.001 . 1 . . . A 19 DG P . 19158 2 stop_ save_