################################### # 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 16226 _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' . . . 16226 1 2 '2D 1H-1H COSY' . . . 16226 1 3 '2D 1H-1H NOESY' . . . 16226 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 5.847 0.002 . . . . . . 1 G H1' . 16226 1 2 . 1 1 1 1 DG H2' H 1 2.477 0.004 . . . . . . 1 G H2' . 16226 1 3 . 1 1 1 1 DG H2'' H 1 2.631 0.011 . 2 . . . . 1 G H2'' . 16226 1 4 . 1 1 1 1 DG H3' H 1 4.660 0.004 . . . . . . 1 G H3' . 16226 1 5 . 1 1 1 1 DG H4' H 1 4.072 0.004 . . . . . . 1 G H4' . 16226 1 6 . 1 1 1 1 DG H5' H 1 3.590 0.003 . . . . . . 1 G H5' . 16226 1 7 . 1 1 1 1 DG H5'' H 1 3.612 0.017 . 2 . . . . 1 G H5'' . 16226 1 8 . 1 1 1 1 DG H8 H 1 7.788 0.001 . 1 . . . . 1 G H8 . 16226 1 9 . 1 1 2 2 DT H1' H 1 5.742 0.006 . . . . . . 2 T H1' . 16226 1 10 . 1 1 2 2 DT H2' H 1 2.020 0.005 . . . . . . 2 T H2' . 16226 1 11 . 1 1 2 2 DT H2'' H 1 2.366 0.004 . 2 . . . . 2 T H2'' . 16226 1 12 . 1 1 2 2 DT H3 H 1 13.620 0.000 . 1 . . . . 2 T H3 . 16226 1 13 . 1 1 2 2 DT H3' H 1 4.742 0.005 . . . . . . 2 T H3' . 16226 1 14 . 1 1 2 2 DT H4' H 1 4.083 0.006 . . . . . . 2 T H4' . 16226 1 15 . 1 1 2 2 DT H5' H 1 3.972 0.004 . . . . . . 2 T H5' . 16226 1 16 . 1 1 2 2 DT H6 H 1 7.202 0.002 . 1 . . . . 2 T H6 . 16226 1 17 . 1 1 2 2 DT H71 H 1 1.227 0.003 . . . . . . 2 T H7 . 16226 1 18 . 1 1 2 2 DT H72 H 1 1.227 0.003 . . . . . . 2 T H7 . 16226 1 19 . 1 1 2 2 DT H73 H 1 1.227 0.003 . . . . . . 2 T H7 . 16226 1 20 . 1 1 3 3 DG H1 H 1 12.605 0.004 . 1 . . . . 3 G H1 . 16226 1 21 . 1 1 3 3 DG H1' H 1 5.734 0.004 . . . . . . 3 G H1' . 16226 1 22 . 1 1 3 3 DG H2' H 1 2.453 0.005 . . . . . . 3 G H2' . 16226 1 23 . 1 1 3 3 DG H2'' H 1 2.545 0.007 . 2 . . . . 3 G H2'' . 16226 1 24 . 1 1 3 3 DG H3' H 1 4.820 0.004 . . . . . . 3 G H3' . 16226 1 25 . 1 1 3 3 DG H4' H 1 4.207 0.007 . . . . . . 3 G H4' . 16226 1 26 . 1 1 3 3 DG H5' H 1 3.846 0.006 . . . . . . 3 G H5' . 16226 1 27 . 1 1 3 3 DG H8 H 1 7.713 0.002 . 1 . . . . 3 G H8 . 16226 1 28 . 1 1 3 3 DG H22 H 1 6.364 0.000 . 2 . . . . 3 G H22 . 16226 1 29 . 1 1 4 4 DC H1' H 1 5.622 0.003 . . . . . . 4 C H1' . 16226 1 30 . 1 1 4 4 DC H2' H 1 1.711 0.007 . . . . . . 4 C H2' . 16226 1 31 . 1 1 4 4 DC H2'' H 1 2.195 0.004 . 2 . . . . 4 C H2'' . 16226 1 32 . 1 1 4 4 DC H3' H 1 4.658 0.005 . . . . . . 4 C H3' . 16226 1 33 . 1 1 4 4 DC H4' H 1 4.020 0.003 . . . . . . 4 C H4' . 16226 1 34 . 1 1 4 4 DC H5 H 1 5.147 0.004 . 1 . . . . 4 C H5 . 16226 1 35 . 1 1 4 4 DC H5' H 1 3.970 0.005 . . . . . . 4 C H5' . 16226 1 36 . 1 1 4 4 DC H5'' H 1 4.050 0.003 . 2 . . . . 4 C H5'' . 16226 1 37 . 1 1 4 4 DC H6 H 1 7.082 0.002 . 1 . . . . 4 C H6 . 16226 1 38 . 1 1 4 4 DC H42 H 1 8.100 0.001 . 2 . . . . 4 C H42 . 16226 1 39 . 1 1 5 5 DG H1 H 1 12.821 0.007 . 1 . . . . 5 G H1 . 16226 1 40 . 1 1 5 5 DG H1' H 1 5.895 0.005 . . . . . . 5 G H1' . 16226 1 41 . 1 1 5 5 DG H2' H 1 2.405 0.005 . . . . . . 5 G H2' . 16226 1 42 . 1 1 5 5 DG H2'' H 1 2.561 0.004 . 2 . . . . 5 G H2'' . 16226 1 43 . 1 1 5 5 DG H3' H 1 4.787 0.003 . . . . . . 5 G H3' . 16226 1 44 . 1 1 5 5 DG H4' H 1 4.180 0.003 . . . . . . 5 G H4' . 16226 1 45 . 1 1 5 5 DG H5' H 1 3.917 0.027 . . . . . . 5 G H5' . 16226 1 46 . 1 1 5 5 DG H5'' H 1 3.872 0.010 . 2 . . . . 5 G H5'' . 16226 1 47 . 1 1 5 5 DG H8 H 1 7.719 0.002 . 1 . . . . 5 G H8 . 16226 1 48 . 1 1 6 6 CTG H1' H 1 5.462 0.002 . . . . . . 6 TG H1' . 16226 1 49 . 1 1 6 6 CTG H2' H 1 2.061 0.003 . . . . . . 6 TG H2' . 16226 1 50 . 1 1 6 6 CTG H2'' H 1 2.061 0.003 . . . . . . 6 TG H2'' . 16226 1 51 . 1 1 6 6 CTG H3' H 1 4.530 0.002 . . . . . . 6 TG H3' . 16226 1 52 . 1 1 6 6 CTG H4' H 1 4.015 0.003 . . . . . . 6 TG H4' . 16226 1 53 . 1 1 6 6 CTG H5' H 1 4.097 0.000 . . . . . . 6 TG H5' . 16226 1 54 . 1 1 6 6 CTG H6 H 1 4.698 0.003 . . . . . . 6 TG H6 . 16226 1 55 . 1 1 6 6 CTG H71 H 1 0.912 0.004 . . . . . . 6 TG M7 . 16226 1 56 . 1 1 6 6 CTG H72 H 1 0.912 0.004 . . . . . . 6 TG M7 . 16226 1 57 . 1 1 6 6 CTG H73 H 1 0.912 0.004 . . . . . . 6 TG M7 . 16226 1 58 . 1 1 7 7 DG H1 H 1 12.671 0.004 . 1 . . . . 7 G H1 . 16226 1 59 . 1 1 7 7 DG H1' H 1 5.880 0.005 . . . . . . 7 G H1' . 16226 1 60 . 1 1 7 7 DG H2' H 1 2.493 0.007 . . . . . . 7 G H2' . 16226 1 61 . 1 1 7 7 DG H2'' H 1 2.700 0.004 . 2 . . . . 7 G H2'' . 16226 1 62 . 1 1 7 7 DG H3' H 1 4.774 0.003 . . . . . . 7 G H3' . 16226 1 63 . 1 1 7 7 DG H4' H 1 4.219 0.010 . . . . . . 7 G H4' . 16226 1 64 . 1 1 7 7 DG H5' H 1 3.845 0.012 . . . . . . 7 G H5' . 16226 1 65 . 1 1 7 7 DG H5'' H 1 3.839 0.004 . 2 . . . . 7 G H5'' . 16226 1 66 . 1 1 7 7 DG H8 H 1 7.811 0.002 . 1 . . . . 7 G H8 . 16226 1 67 . 1 1 7 7 DG H22 H 1 6.329 0.000 . 2 . . . . 7 G H22 . 16226 1 68 . 1 1 8 8 DT H1' H 1 5.934 0.009 . . . . . . 8 T H1' . 16226 1 69 . 1 1 8 8 DT H2' H 1 2.005 0.005 . . . . . . 8 T H2' . 16226 1 70 . 1 1 8 8 DT H2'' H 1 2.454 0.004 . 2 . . . . 8 T H2'' . 16226 1 71 . 1 1 8 8 DT H3 H 1 13.760 0.004 . 1 . . . . 8 T H3 . 16226 1 72 . 1 1 8 8 DT H3' H 1 4.729 0.003 . . . . . . 8 T H3' . 16226 1 73 . 1 1 8 8 DT H4' H 1 4.095 0.005 . . . . . . 8 T H4' . 16226 1 74 . 1 1 8 8 DT H5' H 1 4.054 0.007 . . . . . . 8 T H5' . 16226 1 75 . 1 1 8 8 DT H5'' H 1 4.005 0.003 . 2 . . . . 8 T H5'' . 16226 1 76 . 1 1 8 8 DT H6 H 1 7.129 0.001 . 1 . . . . 8 T H6 . 16226 1 77 . 1 1 8 8 DT H71 H 1 1.162 0.003 . . . . . . 8 T H7 . 16226 1 78 . 1 1 8 8 DT H72 H 1 1.162 0.003 . . . . . . 8 T H7 . 16226 1 79 . 1 1 8 8 DT H73 H 1 1.162 0.003 . . . . . . 8 T H7 . 16226 1 80 . 1 1 9 9 DT H1' H 1 5.963 0.006 . . . . . . 9 T H1' . 16226 1 81 . 1 1 9 9 DT H2' H 1 1.997 0.006 . . . . . . 9 T H2' . 16226 1 82 . 1 1 9 9 DT H2'' H 1 2.438 0.007 . 2 . . . . 9 T H2'' . 16226 1 83 . 1 1 9 9 DT H3 H 1 13.841 0.003 . 1 . . . . 9 T H3 . 16226 1 84 . 1 1 9 9 DT H3' H 1 4.732 0.004 . . . . . . 9 T H3' . 16226 1 85 . 1 1 9 9 DT H4' H 1 4.025 0.013 . . . . . . 9 T H4' . 16226 1 86 . 1 1 9 9 DT H5' H 1 3.972 0.016 . . . . . . 9 T H5' . 16226 1 87 . 1 1 9 9 DT H5'' H 1 4.016 0.002 . 2 . . . . 9 T H5'' . 16226 1 88 . 1 1 9 9 DT H6 H 1 7.299 0.002 . 1 . . . . 9 T H6 . 16226 1 89 . 1 1 9 9 DT H71 H 1 1.468 0.004 . . . . . . 9 T H7 . 16226 1 90 . 1 1 9 9 DT H72 H 1 1.468 0.004 . . . . . . 9 T H7 . 16226 1 91 . 1 1 9 9 DT H73 H 1 1.468 0.004 . . . . . . 9 T H7 . 16226 1 92 . 1 1 10 10 DT H1' H 1 5.670 0.002 . . . . . . 10 T H1' . 16226 1 93 . 1 1 10 10 DT H2' H 1 1.834 0.005 . . . . . . 10 T H2' . 16226 1 94 . 1 1 10 10 DT H2'' H 1 2.207 0.005 . 2 . . . . 10 T H2'' . 16226 1 95 . 1 1 10 10 DT H3 H 1 13.763 0.004 . 1 . . . . 10 T H3 . 16226 1 96 . 1 1 10 10 DT H3' H 1 4.732 0.004 . . . . . . 10 T H3' . 16226 1 97 . 1 1 10 10 DT H4' H 1 4.048 0.008 . . . . . . 10 T H4' . 16226 1 98 . 1 1 10 10 DT H5' H 1 3.965 0.012 . . . . . . 10 T H5' . 16226 1 99 . 1 1 10 10 DT H5'' H 1 3.929 0.000 . 2 . . . . 10 T H5'' . 16226 1 100 . 1 1 10 10 DT H6 H 1 7.158 0.002 . 1 . . . . 10 T H6 . 16226 1 101 . 1 1 10 10 DT H71 H 1 1.566 0.004 . . . . . . 10 T H7 . 16226 1 102 . 1 1 10 10 DT H72 H 1 1.566 0.004 . . . . . . 10 T H7 . 16226 1 103 . 1 1 10 10 DT H73 H 1 1.566 0.004 . . . . . . 10 T H7 . 16226 1 104 . 1 1 11 11 DG H1 H 1 12.503 0.003 . 1 . . . . 11 G H1 . 16226 1 105 . 1 1 11 11 DG H1' H 1 5.912 0.004 . . . . . . 11 G H1' . 16226 1 106 . 1 1 11 11 DG H2' H 1 2.545 0.004 . . . . . . 11 G H2' . 16226 1 107 . 1 1 11 11 DG H3' H 1 4.840 0.006 . . . . . . 11 G H3' . 16226 1 108 . 1 1 11 11 DG H4' H 1 4.237 0.005 . . . . . . 11 G H4' . 16226 1 109 . 1 1 11 11 DG H5' H 1 3.972 0.004 . . . . . . 11 G H5' . 16226 1 110 . 1 1 11 11 DG H8 H 1 7.805 0.002 . 1 . . . . 11 G H8 . 16226 1 111 . 1 1 11 11 DG H22 H 1 6.487 0.000 . 2 . . . . 11 G H22 . 16226 1 112 . 1 1 12 12 DT H1' H 1 6.081 0.004 . . . . . . 12 T H1' . 16226 1 113 . 1 1 12 12 DT H2' H 1 2.099 0.005 . . . . . . 12 T H2' . 16226 1 114 . 1 1 12 12 DT H3' H 1 4.384 0.003 . . . . . . 12 T H3' . 16226 1 115 . 1 1 12 12 DT H4' H 1 3.926 0.005 . . . . . . 12 T H4' . 16226 1 116 . 1 1 12 12 DT H5' H 1 4.076 0.004 . . . . . . 12 T H5' . 16226 1 117 . 1 1 12 12 DT H6 H 1 7.264 0.002 . 1 . . . . 12 T H6 . 16226 1 118 . 1 1 12 12 DT H71 H 1 1.468 0.003 . . . . . . 12 T H7 . 16226 1 119 . 1 1 12 12 DT H72 H 1 1.468 0.003 . . . . . . 12 T H7 . 16226 1 120 . 1 1 12 12 DT H73 H 1 1.468 0.003 . . . . . . 12 T H7 . 16226 1 121 . 2 2 1 1 DA H1' H 1 6.008 0.004 . . . . . . 13 A H1' . 16226 1 122 . 2 2 1 1 DA H2 H 1 7.821 0.002 . 1 . . . . 13 A H2 . 16226 1 123 . 2 2 1 1 DA H2' H 1 2.429 0.005 . . . . . . 13 A H2' . 16226 1 124 . 2 2 1 1 DA H2'' H 1 2.579 0.006 . 2 . . . . 13 A H2'' . 16226 1 125 . 2 2 1 1 DA H3' H 1 4.664 0.003 . . . . . . 13 A H3' . 16226 1 126 . 2 2 1 1 DA H4' H 1 4.073 0.003 . . . . . . 13 A H4' . 16226 1 127 . 2 2 1 1 DA H5' H 1 3.554 0.003 . . . . . . 13 A H5' . 16226 1 128 . 2 2 1 1 DA H8 H 1 8.020 0.001 . 1 . . . . 13 A H8 . 16226 1 129 . 2 2 2 2 DC H1' H 1 5.025 0.004 . . . . . . 14 C H1' . 16226 1 130 . 2 2 2 2 DC H2' H 1 1.828 0.006 . . . . . . 14 C H2' . 16226 1 131 . 2 2 2 2 DC H2'' H 1 2.070 0.005 . 2 . . . . 14 C H2'' . 16226 1 132 . 2 2 2 2 DC H3' H 1 4.619 0.005 . . . . . . 14 C H3' . 16226 1 133 . 2 2 2 2 DC H4' H 1 3.932 0.005 . . . . . . 14 C H4' . 16226 1 134 . 2 2 2 2 DC H5 H 1 5.347 0.005 . 1 . . . . 14 C H5 . 16226 1 135 . 2 2 2 2 DC H5' H 1 3.898 0.020 . . . . . . 14 C H5' . 16226 1 136 . 2 2 2 2 DC H5'' H 1 3.880 0.000 . 2 . . . . 14 C H5'' . 16226 1 137 . 2 2 2 2 DC H41 H 1 7.247 0.002 . 1 . . . . 14 C H41 . 16226 1 138 . 2 2 2 2 DC H42 H 1 8.160 0.000 . . . . . . 14 C H42 . 16226 1 139 . 2 2 3 3 DA H1' H 1 5.594 0.003 . . . . . . 15 A H1' . 16226 1 140 . 2 2 3 3 DA H2 H 1 7.098 0.001 . 1 . . . . 15 A H2 . 16226 1 141 . 2 2 3 3 DA H2' H 1 2.568 0.005 . . . . . . 15 A H2' . 16226 1 142 . 2 2 3 3 DA H2'' H 1 2.661 0.007 . 2 . . . . 15 A H2'' . 16226 1 143 . 2 2 3 3 DA H3' H 1 4.878 0.004 . . . . . . 15 A H3' . 16226 1 144 . 2 2 3 3 DA H4' H 1 4.197 0.004 . . . . . . 15 A H4' . 16226 1 145 . 2 2 3 3 DA H5' H 1 3.839 0.011 . . . . . . 15 A H5' . 16226 1 146 . 2 2 3 3 DA H5'' H 1 3.942 0.006 . 2 . . . . 15 A H5'' . 16226 1 147 . 2 2 3 3 DA H8 H 1 8.046 0.001 . 1 . . . . 15 A H8 . 16226 1 148 . 2 2 3 3 DA H62 H 1 5.997 0.000 . 2 . . . . 15 A H62 . 16226 1 149 . 2 2 4 4 DA H1' H 1 5.698 0.004 . . . . . . 16 A H1' . 16226 1 150 . 2 2 4 4 DA H2 H 1 7.035 0.002 . 1 . . . . 16 A H2 . 16226 1 151 . 2 2 4 4 DA H2' H 1 2.457 0.004 . . . . . . 16 A H2' . 16226 1 152 . 2 2 4 4 DA H2'' H 1 2.647 0.007 . 2 . . . . 16 A H2'' . 16226 1 153 . 2 2 4 4 DA H3' H 1 4.887 0.004 . . . . . . 16 A H3' . 16226 1 154 . 2 2 4 4 DA H4' H 1 4.258 0.004 . . . . . . 16 A H4' . 16226 1 155 . 2 2 4 4 DA H5' H 1 4.042 0.010 . . . . . . 16 A H5' . 16226 1 156 . 2 2 4 4 DA H5'' H 1 4.049 0.002 . 2 . . . . 16 A H5'' . 16226 1 157 . 2 2 4 4 DA H8 H 1 7.941 0.002 . 1 . . . . 16 A H8 . 16226 1 158 . 2 2 4 4 DA H61 H 1 7.288 0.000 . 2 . . . . 16 A H61 . 16226 1 159 . 2 2 4 4 DA H62 H 1 5.822 0.002 . 2 . . . . 16 A H62 . 16226 1 160 . 2 2 5 5 DA H1' H 1 5.866 0.004 . . . . . . 17 A H1' . 16226 1 161 . 2 2 5 5 DA H2 H 1 7.468 0.025 . 1 . . . . 17 A H2 . 16226 1 162 . 2 2 5 5 DA H2' H 1 2.351 0.005 . . . . . . 17 A H2' . 16226 1 163 . 2 2 5 5 DA H2'' H 1 2.618 0.005 . 2 . . . . 17 A H2'' . 16226 1 164 . 2 2 5 5 DA H3' H 1 4.804 0.003 . . . . . . 17 A H3' . 16226 1 165 . 2 2 5 5 DA H4' H 1 4.246 0.004 . . . . . . 17 A H4' . 16226 1 166 . 2 2 5 5 DA H5' H 1 4.060 0.004 . . . . . . 17 A H5' . 16226 1 167 . 2 2 5 5 DA H8 H 1 7.857 0.001 . 1 . . . . 17 A H8 . 16226 1 168 . 2 2 5 5 DA H62 H 1 5.675 0.000 . 2 . . . . 17 A H62 . 16226 1 169 . 2 2 6 6 DC H1' H 1 5.559 0.002 . . . . . . 18 C H1' . 16226 1 170 . 2 2 6 6 DC H2' H 1 1.719 0.004 . . . . . . 18 C H2' . 16226 1 171 . 2 2 6 6 DC H2'' H 1 2.186 0.006 . 2 . . . . 18 C H2'' . 16226 1 172 . 2 2 6 6 DC H3' H 1 4.527 0.003 . . . . . . 18 C H3' . 16226 1 173 . 2 2 6 6 DC H4' H 1 4.009 0.005 . . . . . . 18 C H4' . 16226 1 174 . 2 2 6 6 DC H5 H 1 4.988 0.006 . 1 . . . . 18 C H5 . 16226 1 175 . 2 2 6 6 DC H5' H 1 3.919 0.006 . . . . . . 18 C H5' . 16226 1 176 . 2 2 6 6 DC H5'' H 1 4.046 0.004 . 2 . . . . 18 C H5'' . 16226 1 177 . 2 2 6 6 DC H6 H 1 6.954 0.002 . 1 . . . . 18 C H6 . 16226 1 178 . 2 2 6 6 DC H42 H 1 7.803 0.000 . 2 . . . . 18 C H42 . 16226 1 179 . 2 2 7 7 DG H1' H 1 5.598 0.009 . . . . . . 19 G H1' . 16226 1 180 . 2 2 7 7 DG H2' H 1 2.149 0.004 . . . . . . 19 G H2' . 16226 1 181 . 2 2 7 7 DG H2'' H 1 2.361 0.004 . 2 . . . . 19 G H2'' . 16226 1 182 . 2 2 7 7 DG H3' H 1 4.678 0.004 . . . . . . 19 G H3' . 16226 1 183 . 2 2 7 7 DG H4' H 1 4.018 0.004 . . . . . . 19 G H4' . 16226 1 184 . 2 2 7 7 DG H5' H 1 3.879 0.007 . . . . . . 19 G H5' . 16226 1 185 . 2 2 7 7 DG H5'' H 1 3.917 0.007 . 2 . . . . 19 G H5'' . 16226 1 186 . 2 2 7 7 DG H8 H 1 7.420 0.001 . 1 . . . . 19 G H8 . 16226 1 187 . 2 2 8 8 DC H1' H 1 5.440 0.003 . . . . . . 20 C H1' . 16226 1 188 . 2 2 8 8 DC H2' H 1 1.888 0.005 . . . . . . 20 C H2' . 16226 1 189 . 2 2 8 8 DC H2'' H 1 2.182 0.006 . 2 . . . . 20 C H2'' . 16226 1 190 . 2 2 8 8 DC H3' H 1 4.661 0.005 . . . . . . 20 C H3' . 16226 1 191 . 2 2 8 8 DC H4' H 1 3.980 0.002 . . . . . . 20 C H4' . 16226 1 192 . 2 2 8 8 DC H5 H 1 5.174 0.003 . 1 . . . . 20 C H5 . 16226 1 193 . 2 2 8 8 DC H5' H 1 3.884 0.006 . . . . . . 20 C H5' . 16226 1 194 . 2 2 8 8 DC H6 H 1 7.190 0.002 . 1 . . . . 20 C H6 . 16226 1 195 . 2 2 9 9 DG H1 H 1 12.777 0.003 . 1 . . . . 21 G H1 . 16226 1 196 . 2 2 9 9 DG H1' H 1 5.732 0.006 . . . . . . 21 G H1' . 16226 1 197 . 2 2 9 9 DG H2' H 1 2.472 0.004 . . . . . . 21 G H2' . 16226 1 198 . 2 2 9 9 DG H2'' H 1 2.556 0.008 . 2 . . . . 21 G H2'' . 16226 1 199 . 2 2 9 9 DG H3' H 1 4.815 0.007 . . . . . . 21 G H3' . 16226 1 200 . 2 2 9 9 DG H4' H 1 4.203 0.006 . . . . . . 21 G H4' . 16226 1 201 . 2 2 9 9 DG H5' H 1 3.982 0.006 . . . . . . 21 G H5' . 16226 1 202 . 2 2 9 9 DG H5'' H 1 3.843 0.000 . 2 . . . . 21 G H5'' . 16226 1 203 . 2 2 9 9 DG H8 H 1 7.715 0.002 . 1 . . . . 21 G H8 . 16226 1 204 . 2 2 9 9 DG H22 H 1 6.304 0.000 . 2 . . . . 21 G H22 . 16226 1 205 . 2 2 10 10 DC H1' H 1 5.483 0.003 . . . . . . 22 C H1' . 16226 1 206 . 2 2 10 10 DC H2' H 1 1.842 0.011 . . . . . . 22 C H2' . 16226 1 207 . 2 2 10 10 DC H2'' H 1 2.206 0.004 . 2 . . . . 22 C H2'' . 16226 1 208 . 2 2 10 10 DC H3' H 1 4.662 0.003 . . . . . . 22 C H3' . 16226 1 209 . 2 2 10 10 DC H4' H 1 4.023 0.000 . . . . . . 22 C H4' . 16226 1 210 . 2 2 10 10 DC H5 H 1 5.280 0.007 . 1 . . . . 22 C H5 . 16226 1 211 . 2 2 10 10 DC H6 H 1 7.193 0.002 . 1 . . . . 22 C H6 . 16226 1 212 . 2 2 10 10 DC H42 H 1 8.217 0.000 . 2 . . . . 22 C H42 . 16226 1 213 . 2 2 11 11 DA H1' H 1 6.101 0.004 . . . . . . 23 A H1' . 16226 1 214 . 2 2 11 11 DA H2 H 1 7.692 0.023 . 1 . . . . 23 A H2 . 16226 1 215 . 2 2 11 11 DA H2' H 1 2.529 0.005 . . . . . . 23 A H2' . 16226 1 216 . 2 2 11 11 DA H2'' H 1 2.706 0.005 . 2 . . . . 23 A H2'' . 16226 1 217 . 2 2 11 11 DA H3' H 1 4.850 0.003 . . . . . . 23 A H3' . 16226 1 218 . 2 2 11 11 DA H4' H 1 4.236 0.006 . . . . . . 23 A H4' . 16226 1 219 . 2 2 11 11 DA H5' H 1 3.994 0.009 . . . . . . 23 A H5' . 16226 1 220 . 2 2 11 11 DA H5'' H 1 3.944 0.001 . 2 . . . . 23 A H5'' . 16226 1 221 . 2 2 11 11 DA H8 H 1 8.102 0.002 . 1 . . . . 23 A H8 . 16226 1 222 . 2 2 12 12 DC H1' H 1 5.920 0.002 . . . . . . 24 C H1' . 16226 1 223 . 2 2 12 12 DC H2' H 1 1.938 0.003 . . . . . . 24 C H2' . 16226 1 224 . 2 2 12 12 DC H2'' H 1 1.988 0.007 . 2 . . . . 24 C H2'' . 16226 1 225 . 2 2 12 12 DC H3' H 1 4.307 0.003 . . . . . . 24 C H3' . 16226 1 226 . 2 2 12 12 DC H4' H 1 3.862 0.002 . . . . . . 24 C H4' . 16226 1 227 . 2 2 12 12 DC H5 H 1 5.244 0.006 . 1 . . . . 24 C H5 . 16226 1 228 . 2 2 12 12 DC H5' H 1 3.903 0.005 . . . . . . 24 C H5' . 16226 1 229 . 2 2 12 12 DC H5'' H 1 3.866 0.010 . 2 . . . . 24 C H5'' . 16226 1 230 . 2 2 12 12 DC H6 H 1 7.207 0.002 . 1 . . . . 24 C H6 . 16226 1 stop_ save_