################################### # 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 11438 _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' 1 $sample_1 isotropic 11438 1 2 '2D 1H-1H NOESY' 2 $sample_2 isotropic 11438 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 DC H1' H 1 5.948 0.001 . 1 . . . A 1 DC H1' . 11438 1 2 . 1 1 1 1 DC H2'' H 1 2.531 0.008 . 1 . . . A 1 DC H2'' . 11438 1 3 . 1 1 1 1 DC H2' H 1 2.220 0.006 . 1 . . . A 1 DC H2' . 11438 1 4 . 1 1 1 1 DC H3' H 1 4.639 0.002 . 1 . . . A 1 DC H3' . 11438 1 5 . 1 1 1 1 DC H41 H 1 7.058 0.001 . 2 . . . A 1 DC H41 . 11438 1 6 . 1 1 1 1 DC H42 H 1 8.351 0.001 . 2 . . . A 1 DC H42 . 11438 1 7 . 1 1 1 1 DC H5 H 1 5.922 0.007 . 1 . . . A 1 DC H5 . 11438 1 8 . 1 1 1 1 DC H6 H 1 7.776 0.007 . 1 . . . A 1 DC H6 . 11438 1 9 . 1 1 2 2 DC H1' H 1 6.036 0.004 . 1 . . . A 2 DC H1' . 11438 1 10 . 1 1 2 2 DC H2'' H 1 2.509 0.006 . 1 . . . A 2 DC H2'' . 11438 1 11 . 1 1 2 2 DC H2' H 1 2.194 0.004 . 1 . . . A 2 DC H2' . 11438 1 12 . 1 1 2 2 DC H3' H 1 4.813 0.002 . 1 . . . A 2 DC H3' . 11438 1 13 . 1 1 2 2 DC H41 H 1 7.048 0.000 . 2 . . . A 2 DC H41 . 11438 1 14 . 1 1 2 2 DC H42 H 1 8.352 0.001 . 2 . . . A 2 DC H42 . 11438 1 15 . 1 1 2 2 DC H5 H 1 5.617 0.001 . 1 . . . A 2 DC H5 . 11438 1 16 . 1 1 2 2 DC H6 H 1 7.650 0.006 . 1 . . . A 2 DC H6 . 11438 1 17 . 1 1 3 3 DT H1' H 1 6.072 0.005 . 1 . . . A 3 DT H1' . 11438 1 18 . 1 1 3 3 DT H2'' H 1 2.589 0.005 . 1 . . . A 3 DT H2'' . 11438 1 19 . 1 1 3 3 DT H2' H 1 2.180 0.007 . 1 . . . A 3 DT H2' . 11438 1 20 . 1 1 3 3 DT H3 H 1 14.060 0.001 . 1 . . . A 3 DT H3 . 11438 1 21 . 1 1 3 3 DT H3' H 1 4.851 0.003 . 1 . . . A 3 DT H3' . 11438 1 22 . 1 1 3 3 DT H6 H 1 7.477 0.009 . 1 . . . A 3 DT H6 . 11438 1 23 . 1 1 3 3 DT H71 H 1 1.600 0.003 . 2 . . . . 3 THY H7 . 11438 1 24 . 1 1 3 3 DT H72 H 1 1.600 0.003 . 2 . . . . 3 THY H7 . 11438 1 25 . 1 1 3 3 DT H73 H 1 1.600 0.003 . 2 . . . . 3 THY H7 . 11438 1 26 . 1 1 4 4 DT H1' H 1 5.994 0.005 . 1 . . . A 4 DT H1' . 11438 1 27 . 1 1 4 4 DT H2'' H 1 2.460 0.006 . 1 . . . A 4 DT H2'' . 11438 1 28 . 1 1 4 4 DT H2' H 1 2.094 0.005 . 1 . . . A 4 DT H2' . 11438 1 29 . 1 1 4 4 DT H3 H 1 13.890 0.002 . 1 . . . A 4 DT H3 . 11438 1 30 . 1 1 4 4 DT H3' H 1 4.844 0.003 . 1 . . . A 4 DT H3' . 11438 1 31 . 1 1 4 4 DT H6 H 1 7.404 0.007 . 1 . . . A 4 DT H6 . 11438 1 32 . 1 1 4 4 DT H71 H 1 1.612 0.003 . 2 . . . . 4 THY H7 . 11438 1 33 . 1 1 4 4 DT H72 H 1 1.612 0.003 . 2 . . . . 4 THY H7 . 11438 1 34 . 1 1 4 4 DT H73 H 1 1.612 0.003 . 2 . . . . 4 THY H7 . 11438 1 35 . 1 1 5 5 DC H1' H 1 5.327 0.003 . 1 . . . A 5 DC H1' . 11438 1 36 . 1 1 5 5 DC H2'' H 1 2.259 0.003 . 1 . . . A 5 DC H2'' . 11438 1 37 . 1 1 5 5 DC H2' H 1 2.011 0.004 . 1 . . . A 5 DC H2' . 11438 1 38 . 1 1 5 5 DC H3' H 1 4.790 0.003 . 1 . . . A 5 DC H3' . 11438 1 39 . 1 1 5 5 DC H41 H 1 6.901 0.002 . 2 . . . A 5 DC H41 . 11438 1 40 . 1 1 5 5 DC H42 H 1 8.461 0.001 . 2 . . . A 5 DC H42 . 11438 1 41 . 1 1 5 5 DC H5 H 1 5.667 0.002 . 1 . . . A 5 DC H5 . 11438 1 42 . 1 1 5 5 DC H6 H 1 7.491 0.004 . 1 . . . A 5 DC H6 . 11438 1 43 . 1 1 6 6 DA H1' H 1 6.104 0.003 . 1 . . . A 6 DA H1' . 11438 1 44 . 1 1 6 6 DA H2 H 1 7.541 0.001 . 1 . . . A 6 DA H2 . 11438 1 45 . 1 1 6 6 DA H2'' H 1 2.729 0.004 . 1 . . . A 6 DA H2'' . 11438 1 46 . 1 1 6 6 DA H2' H 1 2.684 0.008 . 1 . . . A 6 DA H2' . 11438 1 47 . 1 1 6 6 DA H3' H 1 4.938 0.002 . 1 . . . A 6 DA H3' . 11438 1 48 . 1 1 6 6 DA H61 H 1 6.447 0.005 . 2 . . . A 6 DA H61 . 11438 1 49 . 1 1 6 6 DA H62 H 1 7.665 0.001 . 2 . . . A 6 DA H62 . 11438 1 50 . 1 1 6 6 DA H8 H 1 8.264 0.004 . 1 . . . A 6 DA H8 . 11438 1 51 . 1 1 7 7 DT H71 H 1 2.726 0.004 . 2 . . . A 7 DT H71 . 11438 1 52 . 1 1 7 7 DT H72 H 1 1.934 0.005 . 2 . . . A 7 DT H72 . 11438 1 53 . 1 1 7 7 DT H73 H 1 1.934 0.005 . 2 . . . A 7 DT H72 . 11438 1 54 . 1 1 7 7 DT H1' H 1 5.974 0.004 . 1 . . . A 7 DT H1' . 11438 1 55 . 1 1 7 7 DT H2'' H 1 2.368 0.003 . 1 . . . A 7 DT H2'' . 11438 1 56 . 1 1 7 7 DT H2' H 1 1.939 0.006 . 1 . . . A 7 DT H2' . 11438 1 57 . 1 1 7 7 DT H3 H 1 12.854 0.004 . 1 . . . A 7 DT H3 . 11438 1 58 . 1 1 7 7 DT H3' H 1 4.650 0.004 . 1 . . . A 7 DT H3' . 11438 1 59 . 1 1 7 7 DT H6 H 1 6.889 0.006 . 1 . . . A 7 DT H6 . 11438 1 60 . 1 1 8 8 DT H71 H 1 2.252 0.003 . 2 . . . A 8 DT H71 . 11438 1 61 . 1 1 8 8 DT H72 H 1 2.724 0.003 . 2 . . . A 8 DT H72 . 11438 1 62 . 1 1 8 8 DT H73 H 1 2.724 0.003 . 2 . . . A 8 DT H72 . 11438 1 63 . 1 1 8 8 DT H1' H 1 5.157 0.002 . 1 . . . A 8 DT H1' . 11438 1 64 . 1 1 8 8 DT H2'' H 1 2.193 0.003 . 1 . . . A 8 DT H2'' . 11438 1 65 . 1 1 8 8 DT H2' H 1 1.995 0.003 . 1 . . . A 8 DT H2' . 11438 1 66 . 1 1 8 8 DT H3 H 1 13.414 0.000 . 1 . . . A 8 DT H3 . 11438 1 67 . 1 1 8 8 DT H3' H 1 4.654 0.003 . 1 . . . A 8 DT H3' . 11438 1 68 . 1 1 8 8 DT H6 H 1 7.163 0.007 . 1 . . . A 8 DT H6 . 11438 1 69 . 1 1 9 9 DA H1' H 1 6.168 0.004 . 1 . . . A 9 DA H1' . 11438 1 70 . 1 1 9 9 DA H2 H 1 7.594 0.001 . 1 . . . A 9 DA H2 . 11438 1 71 . 1 1 9 9 DA H2'' H 1 2.816 0.005 . 1 . . . A 9 DA H2'' . 11438 1 72 . 1 1 9 9 DA H2' H 1 2.610 0.004 . 1 . . . A 9 DA H2' . 11438 1 73 . 1 1 9 9 DA H3' H 1 4.942 0.003 . 1 . . . A 9 DA H3' . 11438 1 74 . 1 1 9 9 DA H61 H 1 6.276 0.000 . 2 . . . A 9 DA H61 . 11438 1 75 . 1 1 9 9 DA H62 H 1 7.808 0.000 . 2 . . . A 9 DA H62 . 11438 1 76 . 1 1 9 9 DA H8 H 1 8.194 0.003 . 1 . . . A 9 DA H8 . 11438 1 77 . 1 1 10 10 DC H1' H 1 5.424 0.003 . 1 . . . A 10 DC H1' . 11438 1 78 . 1 1 10 10 DC H2'' H 1 2.337 0.004 . 1 . . . A 10 DC H2'' . 11438 1 79 . 1 1 10 10 DC H2' H 1 2.056 0.004 . 1 . . . A 10 DC H2' . 11438 1 80 . 1 1 10 10 DC H3' H 1 4.786 0.003 . 1 . . . A 10 DC H3' . 11438 1 81 . 1 1 10 10 DC H41 H 1 6.546 0.000 . 2 . . . A 10 DC H41 . 11438 1 82 . 1 1 10 10 DC H42 H 1 8.146 0.002 . 2 . . . A 10 DC H42 . 11438 1 83 . 1 1 10 10 DC H5 H 1 5.225 0.001 . 1 . . . A 10 DC H5 . 11438 1 84 . 1 1 10 10 DC H6 H 1 7.264 0.004 . 1 . . . A 10 DC H6 . 11438 1 85 . 1 1 11 11 DA H1' H 1 6.188 0.002 . 1 . . . A 11 DA H1' . 11438 1 86 . 1 1 11 11 DA H2 H 1 7.552 0.004 . 1 . . . A 11 DA H2 . 11438 1 87 . 1 1 11 11 DA H2'' H 1 2.887 0.004 . 1 . . . A 11 DA H2'' . 11438 1 88 . 1 1 11 11 DA H2' H 1 2.614 0.006 . 1 . . . A 11 DA H2' . 11438 1 89 . 1 1 11 11 DA H3' H 1 4.941 0.001 . 1 . . . A 11 DA H3' . 11438 1 90 . 1 1 11 11 DA H61 H 1 6.205 0.001 . 2 . . . A 11 DA H61 . 11438 1 91 . 1 1 11 11 DA H62 H 1 7.635 0.001 . 2 . . . A 11 DA H62 . 11438 1 92 . 1 1 11 11 DA H8 H 1 8.214 0.005 . 1 . . . A 11 DA H8 . 11438 1 93 . 1 1 12 12 DT H1' H 1 5.890 0.003 . 1 . . . A 12 DT H1' . 11438 1 94 . 1 1 12 12 DT H2'' H 1 2.435 0.005 . 1 . . . A 12 DT H2'' . 11438 1 95 . 1 1 12 12 DT H2' H 1 2.030 0.005 . 1 . . . A 12 DT H2' . 11438 1 96 . 1 1 12 12 DT H3 H 1 13.592 0.001 . 1 . . . A 12 DT H3 . 11438 1 97 . 1 1 12 12 DT H3' H 1 4.811 0.005 . 1 . . . A 12 DT H3' . 11438 1 98 . 1 1 12 12 DT H6 H 1 7.180 0.006 . 1 . . . A 12 DT H6 . 11438 1 99 . 1 1 12 12 DT H71 H 1 1.329 0.002 . 2 . . . . 12 THY H7 . 11438 1 100 . 1 1 12 12 DT H72 H 1 1.329 0.002 . 2 . . . . 12 THY H7 . 11438 1 101 . 1 1 12 12 DT H73 H 1 1.329 0.002 . 2 . . . . 12 THY H7 . 11438 1 102 . 1 1 13 13 DC H1' H 1 5.977 0.003 . 1 . . . A 13 DC H1' . 11438 1 103 . 1 1 13 13 DC H2'' H 1 2.433 0.002 . 1 . . . A 13 DC H2'' . 11438 1 104 . 1 1 13 13 DC H2' H 1 2.154 0.002 . 1 . . . A 13 DC H2' . 11438 1 105 . 1 1 13 13 DC H3' H 1 4.773 0.003 . 1 . . . A 13 DC H3' . 11438 1 106 . 1 1 13 13 DC H41 H 1 6.904 0.001 . 2 . . . A 13 DC H41 . 11438 1 107 . 1 1 13 13 DC H42 H 1 8.388 0.001 . 2 . . . A 13 DC H42 . 11438 1 108 . 1 1 13 13 DC H5 H 1 5.609 0.005 . 1 . . . A 13 DC H5 . 11438 1 109 . 1 1 13 13 DC H6 H 1 7.530 0.005 . 1 . . . A 13 DC H6 . 11438 1 110 . 1 1 14 14 DC H1' H 1 6.177 0.002 . 1 . . . A 14 DC H1' . 11438 1 111 . 1 1 14 14 DC H2'' H 1 2.211 0.001 . 1 . . . A 14 DC H2'' . 11438 1 112 . 1 1 14 14 DC H2' H 1 2.210 0.001 . 1 . . . A 14 DC H2' . 11438 1 113 . 1 1 14 14 DC H3' H 1 4.517 0.001 . 1 . . . A 14 DC H3' . 11438 1 114 . 1 1 14 14 DC H41 H 1 7.121 0.001 . 2 . . . A 14 DC H41 . 11438 1 115 . 1 1 14 14 DC H42 H 1 8.216 0.000 . 2 . . . A 14 DC H42 . 11438 1 116 . 1 1 14 14 DC H5 H 1 5.701 0.008 . 1 . . . A 14 DC H5 . 11438 1 117 . 1 1 14 14 DC H6 H 1 7.599 0.003 . 1 . . . A 14 DC H6 . 11438 1 118 . 1 1 15 15 DG H1' H 1 5.605 0.006 . 1 . . . B 15 DG H1' . 11438 1 119 . 1 1 15 15 DG H2'' H 1 2.652 0.051 . 1 . . . B 15 DG H2'' . 11438 1 120 . 1 1 15 15 DG H2' H 1 2.495 0.006 . 1 . . . B 15 DG H2' . 11438 1 121 . 1 1 15 15 DG H3' H 1 4.780 0.003 . 1 . . . B 15 DG H3' . 11438 1 122 . 1 1 15 15 DG H8 H 1 7.810 0.001 . 1 . . . B 15 DG H8 . 11438 1 123 . 1 1 16 16 DG H1 H 1 12.764 0.001 . 1 . . . B 16 DG H1 . 11438 1 124 . 1 1 16 16 DG H1' H 1 5.620 0.010 . 1 . . . B 16 DG H1' . 11438 1 125 . 1 1 16 16 DG H2'' H 1 2.771 0.005 . 1 . . . B 16 DG H2'' . 11438 1 126 . 1 1 16 16 DG H2' H 1 2.667 0.004 . 1 . . . B 16 DG H2' . 11438 1 127 . 1 1 16 16 DG H3' H 1 4.988 0.003 . 1 . . . B 16 DG H3' . 11438 1 128 . 1 1 16 16 DG H8 H 1 7.809 0.002 . 1 . . . B 16 DG H8 . 11438 1 129 . 1 1 17 17 DA H1' H 1 6.255 0.003 . 1 . . . B 17 DA H1' . 11438 1 130 . 1 1 17 17 DA H2 H 1 7.806 0.002 . 1 . . . B 17 DA H2 . 11438 1 131 . 1 1 17 17 DA H2'' H 1 2.945 0.006 . 1 . . . B 17 DA H2'' . 11438 1 132 . 1 1 17 17 DA H2' H 1 2.630 0.004 . 1 . . . B 17 DA H2' . 11438 1 133 . 1 1 17 17 DA H3' H 1 5.013 0.003 . 1 . . . B 17 DA H3' . 11438 1 134 . 1 1 17 17 DA H61 H 1 5.962 0.001 . 2 . . . B 17 DA H61 . 11438 1 135 . 1 1 17 17 DA H8 H 1 8.218 0.004 . 1 . . . B 17 DA H8 . 11438 1 136 . 1 1 18 18 DT H1' H 1 5.708 0.003 . 1 . . . B 18 DT H1' . 11438 1 137 . 1 1 18 18 DT H2'' H 1 2.391 0.006 . 1 . . . B 18 DT H2'' . 11438 1 138 . 1 1 18 18 DT H2' H 1 2.020 0.004 . 1 . . . B 18 DT H2' . 11438 1 139 . 1 1 18 18 DT H3 H 1 13.412 0.001 . 1 . . . B 18 DT H3 . 11438 1 140 . 1 1 18 18 DT H3' H 1 4.849 0.005 . 1 . . . B 18 DT H3' . 11438 1 141 . 1 1 18 18 DT H6 H 1 7.072 0.006 . 1 . . . B 18 DT H6 . 11438 1 142 . 1 1 18 18 DT H71 H 1 1.337 0.002 . 2 . . . . 18 THY H7 . 11438 1 143 . 1 1 18 18 DT H72 H 1 1.337 0.002 . 2 . . . . 18 THY H7 . 11438 1 144 . 1 1 18 18 DT H73 H 1 1.337 0.002 . 2 . . . . 18 THY H7 . 11438 1 145 . 1 1 19 19 DG H1 H 1 12.376 0.000 . 1 . . . B 19 DG H1 . 11438 1 146 . 1 1 19 19 DG H1' H 1 5.868 0.004 . 1 . . . B 19 DG H1' . 11438 1 147 . 1 1 19 19 DG H2'' H 1 2.666 0.005 . 1 . . . B 19 DG H2'' . 11438 1 148 . 1 1 19 19 DG H2' H 1 2.548 0.005 . 1 . . . B 19 DG H2' . 11438 1 149 . 1 1 19 19 DG H3' H 1 4.922 0.005 . 1 . . . B 19 DG H3' . 11438 1 150 . 1 1 19 19 DG H8 H 1 7.809 0.005 . 1 . . . B 19 DG H8 . 11438 1 151 . 1 1 20 20 DT H1' H 1 5.708 0.002 . 1 . . . B 20 DT H1' . 11438 1 152 . 1 1 20 20 DT H2'' H 1 2.191 0.005 . 1 . . . B 20 DT H2'' . 11438 1 153 . 1 1 20 20 DT H2' H 1 1.697 0.006 . 1 . . . B 20 DT H2' . 11438 1 154 . 1 1 20 20 DT H3 H 1 13.552 0.003 . 1 . . . B 20 DT H3 . 11438 1 155 . 1 1 20 20 DT H3' H 1 4.809 0.003 . 1 . . . B 20 DT H3' . 11438 1 156 . 1 1 20 20 DT H6 H 1 7.089 0.008 . 1 . . . B 20 DT H6 . 11438 1 157 . 1 1 20 20 DT H71 H 1 1.437 0.003 . 2 . . . . 20 THY H7 . 11438 1 158 . 1 1 20 20 DT H72 H 1 1.437 0.003 . 2 . . . . 20 THY H7 . 11438 1 159 . 1 1 20 20 DT H73 H 1 1.437 0.003 . 2 . . . . 20 THY H7 . 11438 1 160 . 1 1 21 21 DA H1' H 1 5.950 0.001 . 1 . . . B 21 DA H1' . 11438 1 161 . 1 1 21 21 DA H2 H 1 6.963 0.002 . 1 . . . B 21 DA H2 . 11438 1 162 . 1 1 21 21 DA H2'' H 1 2.570 0.005 . 1 . . . B 21 DA H2'' . 11438 1 163 . 1 1 21 21 DA H2' H 1 2.348 0.005 . 1 . . . B 21 DA H2' . 11438 1 164 . 1 1 21 21 DA H3' H 1 5.069 0.003 . 1 . . . B 21 DA H3' . 11438 1 165 . 1 1 21 21 DA H8 H 1 8.190 0.002 . 1 . . . B 21 DA H8 . 11438 1 166 . 1 1 22 22 DA H1' H 1 6.022 0.010 . 1 . . . B 22 DA H1' . 11438 1 167 . 1 1 22 22 DA H2 H 1 7.515 0.003 . 1 . . . B 22 DA H2 . 11438 1 168 . 1 1 22 22 DA H2'' H 1 2.749 0.004 . 1 . . . B 22 DA H2'' . 11438 1 169 . 1 1 22 22 DA H2' H 1 2.589 0.004 . 1 . . . B 22 DA H2' . 11438 1 170 . 1 1 22 22 DA H3' H 1 4.917 0.001 . 1 . . . B 22 DA H3' . 11438 1 171 . 1 1 22 22 DA H8 H 1 8.177 0.003 . 1 . . . B 22 DA H8 . 11438 1 172 . 1 1 23 23 DT H1' H 1 5.511 0.002 . 1 . . . B 23 DT H1' . 11438 1 173 . 1 1 23 23 DT H2'' H 1 2.178 0.005 . 1 . . . B 23 DT H2'' . 11438 1 174 . 1 1 23 23 DT H2' H 1 1.823 0.004 . 1 . . . B 23 DT H2' . 11438 1 175 . 1 1 23 23 DT H3 H 1 13.301 0.002 . 1 . . . B 23 DT H3 . 11438 1 176 . 1 1 23 23 DT H3' H 1 4.747 0.003 . 1 . . . B 23 DT H3' . 11438 1 177 . 1 1 23 23 DT H6 H 1 7.001 0.006 . 1 . . . B 23 DT H6 . 11438 1 178 . 1 1 23 23 DT H71 H 1 1.226 0.003 . 2 . . . . 23 THY H7 . 11438 1 179 . 1 1 23 23 DT H72 H 1 1.226 0.003 . 2 . . . . 23 THY H7 . 11438 1 180 . 1 1 23 23 DT H73 H 1 1.226 0.003 . 2 . . . . 23 THY H7 . 11438 1 181 . 1 1 24 24 DG H1 H 1 12.408 0.001 . 1 . . . B 24 DG H1 . 11438 1 182 . 1 1 24 24 DG H1' H 1 5.310 0.005 . 1 . . . B 24 DG H1' . 11438 1 183 . 1 1 24 24 DG H2'' H 1 2.651 0.004 . 1 . . . B 24 DG H2'' . 11438 1 184 . 1 1 24 24 DG H2' H 1 2.595 0.003 . 1 . . . B 24 DG H2' . 11438 1 185 . 1 1 24 24 DG H3' H 1 4.920 0.004 . 1 . . . B 24 DG H3' . 11438 1 186 . 1 1 24 24 DG H8 H 1 7.796 0.003 . 1 . . . B 24 DG H8 . 11438 1 187 . 1 1 25 25 DA H1' H 1 5.802 0.006 . 1 . . . B 25 DA H1' . 11438 1 188 . 1 1 25 25 DA H2 H 1 7.234 0.002 . 1 . . . B 25 DA H2 . 11438 1 189 . 1 1 25 25 DA H2'' H 1 2.794 0.006 . 1 . . . B 25 DA H2'' . 11438 1 190 . 1 1 25 25 DA H2' H 1 2.625 0.004 . 1 . . . B 25 DA H2' . 11438 1 191 . 1 1 25 25 DA H3' H 1 5.003 0.002 . 1 . . . B 25 DA H3' . 11438 1 192 . 1 1 25 25 DA H61 H 1 5.809 0.003 . 2 . . . B 25 DA H61 . 11438 1 193 . 1 1 25 25 DA H8 H 1 8.115 0.005 . 1 . . . B 25 DA H8 . 11438 1 194 . 1 1 26 26 DA H1' H 1 5.830 0.004 . 1 . . . B 26 DA H1' . 11438 1 195 . 1 1 26 26 DA H2 H 1 7.546 0.003 . 1 . . . B 26 DA H2 . 11438 1 196 . 1 1 26 26 DA H2'' H 1 2.718 0.005 . 1 . . . B 26 DA H2'' . 11438 1 197 . 1 1 26 26 DA H2' H 1 2.485 0.004 . 1 . . . B 26 DA H2' . 11438 1 198 . 1 1 26 26 DA H3' H 1 4.960 0.004 . 1 . . . B 26 DA H3' . 11438 1 199 . 1 1 26 26 DA H61 H 1 5.949 0.000 . 2 . . . B 26 DA H61 . 11438 1 200 . 1 1 26 26 DA H8 H 1 7.984 0.003 . 1 . . . B 26 DA H8 . 11438 1 201 . 1 1 27 27 DG H1 H 1 12.890 0.001 . 1 . . . B 27 DG H1 . 11438 1 202 . 1 1 27 27 DG H1' H 1 5.521 0.004 . 1 . . . B 27 DG H1' . 11438 1 203 . 1 1 27 27 DG H2'' H 1 2.575 0.005 . 1 . . . B 27 DG H2'' . 11438 1 204 . 1 1 27 27 DG H2' H 1 2.413 0.005 . 1 . . . B 27 DG H2' . 11438 1 205 . 1 1 27 27 DG H3' H 1 4.871 0.002 . 1 . . . B 27 DG H3' . 11438 1 206 . 1 1 27 27 DG H8 H 1 7.531 0.003 . 1 . . . B 27 DG H8 . 11438 1 207 . 1 1 28 28 DG H1' H 1 6.059 0.002 . 1 . . . B 28 DG H1' . 11438 1 208 . 1 1 28 28 DG H2'' H 1 2.268 0.002 . 1 . . . B 28 DG H2'' . 11438 1 209 . 1 1 28 28 DG H2' H 1 2.361 0.004 . 1 . . . B 28 DG H2' . 11438 1 210 . 1 1 28 28 DG H3' H 1 4.546 0.002 . 1 . . . B 28 DG H3' . 11438 1 211 . 1 1 28 28 DG H8 H 1 7.610 0.003 . 1 . . . B 28 DG H8 . 11438 1 stop_ save_