################################### # 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 15360 _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 NOESY' . . . 15360 1 2 '2D TOCSY' . . . 15360 1 3 DQF-COSY . . . 15360 1 4 '2D NOESY' . . . 15360 1 5 '2D 1H 31P HETCOR' . . . 15360 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 6.004 0.02 . . . . . . 1 C H1' . 15360 1 2 . 1 1 1 1 DC H2' H 1 2.292 0.02 . . . . . . 1 C H2' . 15360 1 3 . 1 1 1 1 DC H2'' H 1 2.589 0.02 . . . . . . 1 C H2'' . 15360 1 4 . 1 1 1 1 DC H3' H 1 4.697 0.02 . . . . . . 1 C H3' . 15360 1 5 . 1 1 1 1 DC H4' H 1 4.144 0.02 . . . . . . 1 C H4' . 15360 1 6 . 1 1 1 1 DC H5 H 1 5.972 0.02 . . . . . . 1 C H5 . 15360 1 7 . 1 1 1 1 DC H5' H 1 3.824 0.02 . . . . . . 1 C H5' . 15360 1 8 . 1 1 1 1 DC H5'' H 1 3.789 0.02 . . . . . . 1 C H5'' . 15360 1 9 . 1 1 1 1 DC H6 H 1 7.828 0.02 . . . . . . 1 C H6 . 15360 1 10 . 1 1 1 1 DC H41 H 1 7.895 0.02 . . . . . . 1 C H41 . 15360 1 11 . 1 1 1 1 DC H42 H 1 7.134 0.02 . . . . . . 1 C H42 . 15360 1 12 . 1 1 1 1 DC P P 31 -4.09 0.02 . . . . . . 1 C P . 15360 1 13 . 1 1 2 2 DC H1' H 1 6.055 0.02 . . . . . . 2 C H1' . 15360 1 14 . 1 1 2 2 DC H2' H 1 2.222 0.02 . . . . . . 2 C H2' . 15360 1 15 . 1 1 2 2 DC H2'' H 1 2.554 0.02 . . . . . . 2 C H2'' . 15360 1 16 . 1 1 2 2 DC H3' H 1 4.842 0.02 . . . . . . 2 C H3' . 15360 1 17 . 1 1 2 2 DC H4' H 1 4.234 0.02 . . . . . . 2 C H4' . 15360 1 18 . 1 1 2 2 DC H5 H 1 5.707 0.02 . . . . . . 2 C H5 . 15360 1 19 . 1 1 2 2 DC H5' H 1 4.156 0.02 . . . . . . 2 C H5' . 15360 1 20 . 1 1 2 2 DC H5'' H 1 4.125 0.02 . . . . . . 2 C H5'' . 15360 1 21 . 1 1 2 2 DC H6 H 1 7.711 0.02 . . . . . . 2 C H6 . 15360 1 22 . 1 1 2 2 DC H41 H 1 8.462 0.02 . . . . . . 2 C H41 . 15360 1 23 . 1 1 2 2 DC H42 H 1 7.153 0.02 . . . . . . 2 C H42 . 15360 1 24 . 1 1 2 2 DC P P 31 -4.34 0.02 . . . . . . 2 C P . 15360 1 25 . 1 1 3 3 DT H1' H 1 6.089 0.02 . . . . . . 3 T H1' . 15360 1 26 . 1 1 3 3 DT H2' H 1 2.207 0.02 . . . . . . 3 T H2' . 15360 1 27 . 1 1 3 3 DT H2'' H 1 2.527 0.02 . . . . . . 3 T H2'' . 15360 1 28 . 1 1 3 3 DT H3 H 1 13.93 0.02 . . . . . . 3 T H3 . 15360 1 29 . 1 1 3 3 DT H3' H 1 4.900 0.02 . . . . . . 3 T H3' . 15360 1 30 . 1 1 3 3 DT H4' H 1 4.226 0.02 . . . . . . 3 T H4' . 15360 1 31 . 1 1 3 3 DT H5' H 1 4.152 0.02 . . . . . . 3 T H5' . 15360 1 32 . 1 1 3 3 DT H5'' H 1 4.117 0.02 . . . . . . 3 T H5'' . 15360 1 33 . 1 1 3 3 DT H6 H 1 7.475 0.02 . . . . . . 3 T H6 . 15360 1 34 . 1 1 3 3 DT H71 H 1 1.679 0.02 . . . . . . 3 T H7 . 15360 1 35 . 1 1 3 3 DT H72 H 1 1.679 0.02 . . . . . . 3 T H7 . 15360 1 36 . 1 1 3 3 DT H73 H 1 1.679 0.02 . . . . . . 3 T H7 . 15360 1 37 . 1 1 3 3 DT P P 31 -4.34 0.02 . . . . . . 3 T P . 15360 1 38 . 1 1 4 4 DC H1' H 1 5.379 0.02 . . . . . . 4 C H1' . 15360 1 39 . 1 1 4 4 DC H2' H 1 2.070 0.02 . . . . . . 4 C H2' . 15360 1 40 . 1 1 4 4 DC H2'' H 1 2.332 0.02 . . . . . . 4 C H2'' . 15360 1 41 . 1 1 4 4 DC H3' H 1 4.841 0.02 . . . . . . 4 C H3' . 15360 1 42 . 1 1 4 4 DC H4' H 1 4.109 0.02 . . . . . . 4 C H4' . 15360 1 43 . 1 1 4 4 DC H5 H 1 5.738 0.02 . . . . . . 4 C H5 . 15360 1 44 . 1 1 4 4 DC H5' H 1 4.100 0.02 . . . . . . 4 C H5' . 15360 1 45 . 1 1 4 4 DC H5'' H 1 4.100 0.02 . . . . . . 4 C H5'' . 15360 1 46 . 1 1 4 4 DC H6 H 1 7.551 0.02 . . . . . . 4 C H6 . 15360 1 47 . 1 1 4 4 DC H41 H 1 7.739 0.02 . . . . . . 4 C H41 . 15360 1 48 . 1 1 4 4 DC H42 H 1 5.747 0.02 . . . . . . 4 C H42 . 15360 1 49 . 1 1 4 4 DC P P 31 -3.80 0.02 . . . . . . 4 C P . 15360 1 50 . 1 1 5 5 DA H1' H 1 5.957 0.02 . . . . . . 5 A H1' . 15360 1 51 . 1 1 5 5 DA H2 H 1 7.625 0.02 . . . . . . 5 A H2 . 15360 1 52 . 1 1 5 5 DA H2' H 1 2.714 0.02 . . . . . . 5 A H2' . 15360 1 53 . 1 1 5 5 DA H2'' H 1 2.870 0.02 . . . . . . 5 A H2'' . 15360 1 54 . 1 1 5 5 DA H3' H 1 5.05 0.02 . . . . . . 5 A H3' . 15360 1 55 . 1 1 5 5 DA H4' H 1 4.388 0.02 . . . . . . 5 A H4' . 15360 1 56 . 1 1 5 5 DA H5' H 1 4.129 0.02 . . . . . . 5 A H5' . 15360 1 57 . 1 1 5 5 DA H5'' H 1 4.035 0.02 . . . . . . 5 A H5'' . 15360 1 58 . 1 1 5 5 DA H8 H 1 8.170 0.02 . . . . . . 5 A H8 . 15360 1 59 . 1 1 5 5 DA H61 H 1 7.602 0.02 . . . . . . 5 A H61 . 15360 1 60 . 1 1 5 5 DA H62 H 1 6.391 0.02 . . . . . . 5 A H62 . 15360 1 61 . 1 1 5 5 DA P P 31 -4.14 0.02 . . . . . . 5 A P . 15360 1 62 . 1 1 6 6 DG H1 H 1 12.97 0.02 . . . . . . 6 G H1 . 15360 1 63 . 1 1 6 6 DG H1' H 1 5.566 0.02 . . . . . . 6 G H1' . 15360 1 64 . 1 1 6 6 DG H2' H 1 2.539 0.02 . . . . . . 6 G H2' . 15360 1 65 . 1 1 6 6 DG H2'' H 1 2.648 0.02 . . . . . . 6 G H2'' . 15360 1 66 . 1 1 6 6 DG H3' H 1 4.974 0.02 . . . . . . 6 G H3' . 15360 1 67 . 1 1 6 6 DG H4' H 1 4.353 0.02 . . . . . . 6 G H4' . 15360 1 68 . 1 1 6 6 DG H5' H 1 4.172 0.02 . . . . . . 6 G H5' . 15360 1 69 . 1 1 6 6 DG H5'' H 1 4.121 0.02 . . . . . . 6 G H5'' . 15360 1 70 . 1 1 6 6 DG H8 H 1 7.621 0.02 . . . . . . 6 G H8 . 15360 1 71 . 1 1 6 6 DG H21 H 1 7.387 0.02 . . . . . . 6 G H21 . 15360 1 72 . 1 1 6 6 DG H22 H 1 5.239 0.02 . . . . . . 6 G H22 . 15360 1 73 . 1 1 6 6 DG P P 31 -4.06 0.02 . . . . . . 6 G P . 15360 1 74 . 1 1 7 7 DG H1 H 1 12.93 0.02 . . . . . . 7 G H1 . 15360 1 75 . 1 1 7 7 DG H1' H 1 5.855 0.02 . . . . . . 7 G H1' . 15360 1 76 . 1 1 7 7 DG H2' H 1 2.515 0.02 . . . . . . 7 G H2' . 15360 1 77 . 1 1 7 7 DG H2'' H 1 2.671 0.02 . . . . . . 7 G H2'' . 15360 1 78 . 1 1 7 7 DG H3' H 1 4.908 0.02 . . . . . . 7 G H3' . 15360 1 79 . 1 1 7 7 DG H4' H 1 4.375 0.02 . . . . . . 7 G H4' . 15360 1 80 . 1 1 7 7 DG H5' H 1 4.191 0.02 . . . . . . 7 G H5' . 15360 1 81 . 1 1 7 7 DG H5'' H 1 4.175 0.02 . . . . . . 7 G H5'' . 15360 1 82 . 1 1 7 7 DG H8 H 1 7.619 0.02 . . . . . . 7 G H8 . 15360 1 83 . 1 1 7 7 DG H21 H 1 7.602 0.02 . . . . . . 7 G H21 . 15360 1 84 . 1 1 7 7 DG H22 H 1 6.977 0.02 . . . . . . 7 G H22 . 15360 1 85 . 1 1 7 7 DG P P 31 -4.20 0.02 . . . . . . 7 G P . 15360 1 86 . 1 1 8 8 DC H1' H 1 5.922 0.02 . . . . . . 8 C H1' . 15360 1 87 . 1 1 8 8 DC H2' H 1 2.210 0.02 . . . . . . 8 C H2' . 15360 1 88 . 1 1 8 8 DC H2'' H 1 2.488 0.02 . . . . . . 8 C H2'' . 15360 1 89 . 1 1 8 8 DC H3' H 1 4.914 0.02 . . . . . . 8 C H3' . 15360 1 90 . 1 1 8 8 DC H4' H 1 4.346 0.02 . . . . . . 8 C H4' . 15360 1 91 . 1 1 8 8 DC H5 H 1 5.215 0.02 . . . . . . 8 C H5 . 15360 1 92 . 1 1 8 8 DC H5' H 1 4.215 0.02 . . . . . . 8 C H5' . 15360 1 93 . 1 1 8 8 DC H5'' H 1 4.144 0.02 . . . . . . 8 C H5'' . 15360 1 94 . 1 1 8 8 DC H6 H 1 7.346 0.02 . . . . . . 8 C H6 . 15360 1 95 . 1 1 8 8 DC H41 H 1 7.973 0.02 . . . . . . 8 C H41 . 15360 1 96 . 1 1 8 8 DC H42 H 1 6.450 0.02 . . . . . . 8 C H42 . 15360 1 97 . 1 1 8 8 DC P P 31 -3.87 0.02 . . . . . . 8 C P . 15360 1 98 . 1 1 9 9 DC H1' H 1 5.887 0.02 . . . . . . 9 C H1' . 15360 1 99 . 1 1 9 9 DC H2' H 1 2.144 0.02 . . . . . . 9 C H2' . 15360 1 100 . 1 1 9 9 DC H2'' H 1 2.519 0.02 . . . . . . 9 C H2'' . 15360 1 101 . 1 1 9 9 DC H3' H 1 4.740 0.02 . . . . . . 9 C H3' . 15360 1 102 . 1 1 9 9 DC H4' H 1 4.218 0.02 . . . . . . 9 C H4' . 15360 1 103 . 1 1 9 9 DC H5 H 1 5.527 0.02 . . . . . . 9 C H5 . 15360 1 104 . 1 1 9 9 DC H5' H 1 4.172 0.02 . . . . . . 9 C H5' . 15360 1 105 . 1 1 9 9 DC H5'' H 1 4.109 0.02 . . . . . . 9 C H5'' . 15360 1 106 . 1 1 9 9 DC H6 H 1 7.545 0.02 . . . . . . 9 C H6 . 15360 1 107 . 1 1 9 9 DC H41 H 1 8.129 0.02 . . . . . . 9 C H41 . 15360 1 108 . 1 1 9 9 DC H42 H 1 6.977 0.02 . . . . . . 9 C H42 . 15360 1 109 . 1 1 9 9 DC P P 31 -4.36 0.02 . . . . . . 9 C P . 15360 1 110 . 1 1 10 10 DT H1' H 1 6.094 0.02 . . . . . . 10 T H1' . 15360 1 111 . 1 1 10 10 DT H2' H 1 2.229 0.02 . . . . . . 10 T H2' . 15360 1 112 . 1 1 10 10 DT H2'' H 1 2.570 0.02 . . . . . . 10 T H2'' . 15360 1 113 . 1 1 10 10 DT H3' H 1 4.906 0.02 . . . . . . 10 T H3' . 15360 1 114 . 1 1 10 10 DT H4' H 1 4.222 0.02 . . . . . . 10 T H4' . 15360 1 115 . 1 1 10 10 DT H5' H 1 4.160 0.02 . . . . . . 10 T H5' . 15360 1 116 . 1 1 10 10 DT H5'' H 1 4.105 0.02 . . . . . . 10 T H5'' . 15360 1 117 . 1 1 10 10 DT H6 H 1 7.508 0.02 . . . . . . 10 T H6 . 15360 1 118 . 1 1 10 10 DT H71 H 1 1.651 0.02 . . . . . . 10 T H7 . 15360 1 119 . 1 1 10 10 DT H72 H 1 1.651 0.02 . . . . . . 10 T H7 . 15360 1 120 . 1 1 10 10 DT H73 H 1 1.651 0.02 . . . . . . 10 T H7 . 15360 1 121 . 1 1 10 10 DT P P 31 -4.35 0.02 . . . . . . 10 T P . 15360 1 122 . 1 1 11 11 DC H1' H 1 6.098 0.02 . . . . . . 11 C H1' . 15360 1 123 . 1 1 11 11 DC H2' H 1 2.242 0.02 . . . . . . 11 C H2' . 15360 1 124 . 1 1 11 11 DC H2'' H 1 2.502 0.02 . . . . . . 11 C H2'' . 15360 1 125 . 1 1 11 11 DC H3' H 1 4.861 0.02 . . . . . . 11 C H3' . 15360 1 126 . 1 1 11 11 DC H4' H 1 4.215 0.02 . . . . . . 11 C H4' . 15360 1 127 . 1 1 11 11 DC H5 H 1 5.793 0.02 . . . . . . 11 C H5 . 15360 1 128 . 1 1 11 11 DC H5' H 1 4.179 0.02 . . . . . . 11 C H5' . 15360 1 129 . 1 1 11 11 DC H5'' H 1 4.113 0.02 . . . . . . 11 C H5'' . 15360 1 130 . 1 1 11 11 DC H6 H 1 7.623 0.02 . . . . . . 11 C H6 . 15360 1 131 . 1 1 11 11 DC H41 H 1 8.618 0.02 . . . . . . 11 C H41 . 15360 1 132 . 1 1 11 11 DC H42 H 1 7.153 0.02 . . . . . . 11 C H42 . 15360 1 133 . 1 1 11 11 DC P P 31 -3.87 0.02 . . . . . . 11 C P . 15360 1 134 . 1 1 12 12 DC H1' H 1 6.250 0.02 . . . . . . 12 C H1' . 15360 1 135 . 1 1 12 12 DC H2' H 1 2.292 0.02 . . . . . . 12 C H2' . 15360 1 136 . 1 1 12 12 DC H2'' H 1 2.587 0.02 . . . . . . 12 C H2'' . 15360 1 137 . 1 1 12 12 DC H3' H 1 4.570 0.02 . . . . . . 12 C H3' . 15360 1 138 . 1 1 12 12 DC H4' H 1 4.175 0.02 . . . . . . 12 C H4' . 15360 1 139 . 1 1 12 12 DC H5 H 1 5.820 0.02 . . . . . . 12 C H5 . 15360 1 140 . 1 1 12 12 DC H5' H 1 4.054 0.02 . . . . . . 12 C H5' . 15360 1 141 . 1 1 12 12 DC H5'' H 1 4.054 0.02 . . . . . . 12 C H5'' . 15360 1 142 . 1 1 12 12 DC H6 H 1 7.684 0.02 . . . . . . 12 C H6 . 15360 1 143 . 1 1 12 12 DC H41 H 1 7.895 0.02 . . . . . . 12 C H41 . 15360 1 144 . 1 1 12 12 DC H42 H 1 6.958 0.02 . . . . . . 12 C H42 . 15360 1 145 . 2 2 1 1 DG H1 H 1 13.31 0.02 . . . . . . 13 G H1 . 15360 1 146 . 2 2 1 1 DG H1' H 1 5.633 0.02 . . . . . . 13 G H1' . 15360 1 147 . 2 2 1 1 DG H2' H 1 2.476 0.02 . . . . . . 13 G H2' . 15360 1 148 . 2 2 1 1 DG H2'' H 1 2.648 0.02 . . . . . . 13 G H2'' . 15360 1 149 . 2 2 1 1 DG H3' H 1 4.818 0.02 . . . . . . 13 G H3' . 15360 1 150 . 2 2 1 1 DG H4' H 1 4.167 0.02 . . . . . . 13 G H4' . 15360 1 151 . 2 2 1 1 DG H5' H 1 3.828 0.02 . . . . . . 13 G H5' . 15360 1 152 . 2 2 1 1 DG H5'' H 1 3.664 0.02 . . . . . . 13 G H5'' . 15360 1 153 . 2 2 1 1 DG H8 H 1 7.838 0.02 . . . . . . 13 G H8 . 15360 1 154 . 2 2 1 1 DG H21 H 1 7.114 0.02 . . . . . . 13 G H21 . 15360 1 155 . 2 2 1 1 DG H22 H 1 5.942 0.02 . . . . . . 13 G H22 . 15360 1 156 . 2 2 1 1 DG P P 31 -3.98 0.02 . . . . . . 13 G P . 15360 1 157 . 2 2 2 2 DG H1 H 1 12.96 0.02 . . . . . . 14 G H1 . 15360 1 158 . 2 2 2 2 DG H1' H 1 5.521 0.02 . . . . . . 14 G H1' . 15360 1 159 . 2 2 2 2 DG H2' H 1 2.694 0.02 . . . . . . 14 G H2' . 15360 1 160 . 2 2 2 2 DG H2'' H 1 2.781 0.02 . . . . . . 14 G H2'' . 15360 1 161 . 2 2 2 2 DG H3' H 1 5.019 0.02 . . . . . . 14 G H3' . 15360 1 162 . 2 2 2 2 DG H4' H 1 4.355 0.02 . . . . . . 14 G H4' . 15360 1 163 . 2 2 2 2 DG H5' H 1 4.136 0.02 . . . . . . 14 G H5' . 15360 1 164 . 2 2 2 2 DG H5'' H 1 4.054 0.02 . . . . . . 14 G H5'' . 15360 1 165 . 2 2 2 2 DG H8 H 1 7.854 0.02 . . . . . . 14 G H8 . 15360 1 166 . 2 2 2 2 DG H21 H 1 7.173 0.02 . . . . . . 14 G H21 . 15360 1 167 . 2 2 2 2 DG H22 H 1 5.532 0.02 . . . . . . 14 G H22 . 15360 1 168 . 2 2 2 2 DG P P 31 -4.08 0.02 . . . . . . 14 G P . 15360 1 169 . 2 2 3 3 DA H1' H 1 6.081 0.02 . . . . . . 15 A H1' . 15360 1 170 . 2 2 3 3 DA H2 H 1 7.851 0.02 . . . . . . 15 A H2 . 15360 1 171 . 2 2 3 3 DA H2' H 1 2.683 0.02 . . . . . . 15 A H2' . 15360 1 172 . 2 2 3 3 DA H2'' H 1 2.914 0.02 . . . . . . 15 A H2'' . 15360 1 173 . 2 2 3 3 DA H3' H 1 5.081 0.02 . . . . . . 15 A H3' . 15360 1 174 . 2 2 3 3 DA H4' H 1 4.450 0.02 . . . . . . 15 A H4' . 15360 1 175 . 2 2 3 3 DA H5' H 1 4.230 0.02 . . . . . . 15 A H5' . 15360 1 176 . 2 2 3 3 DA H5'' H 1 4.164 0.02 . . . . . . 15 A H5'' . 15360 1 177 . 2 2 3 3 DA H8 H 1 8.104 0.02 . . . . . . 15 A H8 . 15360 1 178 . 2 2 3 3 DA H61 H 1 7.759 0.02 . . . . . . 15 A H61 . 15360 1 179 . 2 2 3 3 DA H62 H 1 5.941 0.02 . . . . . . 15 A H62 . 15360 1 180 . 2 2 3 3 DA P P 31 -4.20 0.02 . . . . . . 15 A P . 15360 1 181 . 2 2 4 4 DG H1 H 1 13.02 0.02 . . . . . . 16 G H1 . 15360 1 182 . 2 2 4 4 DG H1' H 1 5.629 0.02 . . . . . . 16 G H1' . 15360 1 183 . 2 2 4 4 DG H2' H 1 2.539 0.02 . . . . . . 16 G H2' . 15360 1 184 . 2 2 4 4 DG H2'' H 1 2.657 0.02 . . . . . . 16 G H2'' . 15360 1 185 . 2 2 4 4 DG H3' H 1 4.995 0.02 . . . . . . 16 G H3' . 15360 1 186 . 2 2 4 4 DG H4' H 1 4.386 0.02 . . . . . . 16 G H4' . 15360 1 187 . 2 2 4 4 DG H5' H 1 4.218 0.02 . . . . . . 16 G H5' . 15360 1 188 . 2 2 4 4 DG H5'' H 1 4.218 0.02 . . . . . . 16 G H5'' . 15360 1 189 . 2 2 4 4 DG H8 H 1 7.593 0.02 . . . . . . 16 G H8 . 15360 1 190 . 2 2 4 4 DG H21 H 1 8.364 0.02 . . . . . . 16 G H21 . 15360 1 191 . 2 2 4 4 DG H22 H 1 5.532 0.02 . . . . . . 16 G H22 . 15360 1 192 . 2 2 4 4 DG P P 31 -3.80 0.02 . . . . . . 16 G P . 15360 1 193 . 2 2 5 5 DG H1 H 1 12.78 0.02 . . . . . . 17 G H1 . 15360 1 194 . 2 2 5 5 DG H1' H 1 5.894 0.02 . . . . . . 17 G H1' . 15360 1 195 . 2 2 5 5 DG H2' H 1 2.527 0.02 . . . . . . 17 G H2' . 15360 1 196 . 2 2 5 5 DG H2'' H 1 2.700 0.02 . . . . . . 17 G H2'' . 15360 1 197 . 2 2 5 5 DG H3' H 1 4.937 0.02 . . . . . . 17 G H3' . 15360 1 198 . 2 2 5 5 DG H4' H 1 4.413 0.02 . . . . . . 17 G H4' . 15360 1 199 . 2 2 5 5 DG H5' H 1 4.214 0.02 . . . . . . 17 G H5' . 15360 1 200 . 2 2 5 5 DG H5'' H 1 4.136 0.02 . . . . . . 17 G H5'' . 15360 1 201 . 2 2 5 5 DG H8 H 1 7.621 0.02 . . . . . . 17 G H8 . 15360 1 202 . 2 2 5 5 DG H21 H 1 8.667 0.02 . . . . . . 17 G H21 . 15360 1 203 . 2 2 5 5 DG H22 H 1 7.173 0.02 . . . . . . 17 G H22 . 15360 1 204 . 2 2 5 5 DG P P 31 -4.23 0.02 . . . . . . 17 G P . 15360 1 205 . 2 2 6 6 DC H1' H 1 5.973 0.02 . . . . . . 18 C H1' . 15360 1 206 . 2 2 6 6 DC H2' H 1 2.171 0.02 . . . . . . 18 C H2' . 15360 1 207 . 2 2 6 6 DC H2'' H 1 2.515 0.02 . . . . . . 18 C H2'' . 15360 1 208 . 2 2 6 6 DC H3' H 1 4.826 0.02 . . . . . . 18 C H3' . 15360 1 209 . 2 2 6 6 DC H4' H 1 4.241 0.02 . . . . . . 18 C H4' . 15360 1 210 . 2 2 6 6 DC H5 H 1 5.209 0.02 . . . . . . 18 C H5 . 15360 1 211 . 2 2 6 6 DC H5' H 1 4.152 0.02 . . . . . . 18 C H5' . 15360 1 212 . 2 2 6 6 DC H5'' H 1 4.152 0.02 . . . . . . 18 C H5'' . 15360 1 213 . 2 2 6 6 DC H6 H 1 7.355 0.02 . . . . . . 18 C H6 . 15360 1 214 . 2 2 6 6 DC H41 H 1 8.423 0.02 . . . . . . 18 C H41 . 15360 1 215 . 2 2 6 6 DC H42 H 1 6.450 0.02 . . . . . . 18 C H42 . 15360 1 216 . 2 2 6 6 DC P P 31 -4.20 0.02 . . . . . . 18 C P . 15360 1 217 . 2 2 7 7 DC H1' H 1 5.914 0.02 . . . . . . 19 C H1' . 15360 1 218 . 2 2 7 7 DC H2' H 1 2.058 0.02 . . . . . . 19 C H2' . 15360 1 219 . 2 2 7 7 DC H2'' H 1 2.472 0.02 . . . . . . 19 C H2'' . 15360 1 220 . 2 2 7 7 DC H3' H 1 4.840 0.02 . . . . . . 19 C H3' . 15360 1 221 . 2 2 7 7 DC H4' H 1 4.156 0.02 . . . . . . 19 C H4' . 15360 1 222 . 2 2 7 7 DC H5 H 1 5.512 0.02 . . . . . . 19 C H5 . 15360 1 223 . 2 2 7 7 DC H5' H 1 4.105 0.02 . . . . . . 19 C H5' . 15360 1 224 . 2 2 7 7 DC H5'' H 1 4.105 0.02 . . . . . . 19 C H5'' . 15360 1 225 . 2 2 7 7 DC H6 H 1 7.514 0.02 . . . . . . 19 C H6 . 15360 1 226 . 2 2 7 7 DC H41 H 1 8.130 0.02 . . . . . . 19 C H41 . 15360 1 227 . 2 2 7 7 DC H42 H 1 6.450 0.02 . . . . . . 19 C H42 . 15360 1 228 . 2 2 7 7 DC P P 31 -4.40 0.02 . . . . . . 19 C P . 15360 1 229 . 2 2 8 8 DT H1' H 1 5.652 0.02 . . . . . . 20 T H1' . 15360 1 230 . 2 2 8 8 DT H2' H 1 2.015 0.02 . . . . . . 20 T H2' . 15360 1 231 . 2 2 8 8 DT H2'' H 1 2.343 0.02 . . . . . . 20 T H2'' . 15360 1 232 . 2 2 8 8 DT H3 H 1 13.98 0.02 . . . . . . 20 T H3 . 15360 1 233 . 2 2 8 8 DT H3' H 1 4.857 0.02 . . . . . . 20 T H3' . 15360 1 234 . 2 2 8 8 DT H4' H 1 4.117 0.02 . . . . . . 20 T H4' . 15360 1 235 . 2 2 8 8 DT H5' H 1 4.093 0.02 . . . . . . 20 T H5' . 15360 1 236 . 2 2 8 8 DT H5'' H 1 4.058 0.02 . . . . . . 20 T H5'' . 15360 1 237 . 2 2 8 8 DT H6 H 1 7.316 0.02 . . . . . . 20 T H6 . 15360 1 238 . 2 2 8 8 DT H71 H 1 1.663 0.02 . . . . . . 20 T H7 . 15360 1 239 . 2 2 8 8 DT H72 H 1 1.663 0.02 . . . . . . 20 T H7 . 15360 1 240 . 2 2 8 8 DT H73 H 1 1.663 0.02 . . . . . . 20 T H7 . 15360 1 241 . 2 2 8 8 DT P P 31 -4.16 0.02 . . . . . . 20 T P . 15360 1 242 . 2 2 9 9 DG H1 H 1 12.77 0.02 . . . . . . 21 G H1 . 15360 1 243 . 2 2 9 9 DG H1' H 1 5.418 0.02 . . . . . . 21 G H1' . 15360 1 244 . 2 2 9 9 DG H2' H 1 2.695 0.02 . . . . . . 21 G H2' . 15360 1 245 . 2 2 9 9 DG H2'' H 1 2.741 0.02 . . . . . . 21 G H2'' . 15360 1 246 . 2 2 9 9 DG H3' H 1 5.000 0.02 . . . . . . 21 G H3' . 15360 1 247 . 2 2 9 9 DG H4' H 1 4.320 0.02 . . . . . . 21 G H4' . 15360 1 248 . 2 2 9 9 DG H5' H 1 4.093 0.02 . . . . . . 21 G H5' . 15360 1 249 . 2 2 9 9 DG H5'' H 1 4.015 0.02 . . . . . . 21 G H5'' . 15360 1 250 . 2 2 9 9 DG H8 H 1 7.908 0.02 . . . . . . 21 G H8 . 15360 1 251 . 2 2 9 9 DG H21 H 1 8.657 0.02 . . . . . . 21 G H21 . 15360 1 252 . 2 2 9 9 DG H22 H 1 7.074 0.02 . . . . . . 21 G H22 . 15360 1 253 . 2 2 9 9 DG P P 31 -4.03 0.02 . . . . . . 21 G P . 15360 1 254 . 2 2 10 10 DA H1' H 1 5.972 0.02 . . . . . . 22 A H1' . 15360 1 255 . 2 2 10 10 DA H2 H 1 7.910 0.02 . . . . . . 22 A H2 . 15360 1 256 . 2 2 10 10 DA H2' H 1 2.628 0.02 . . . . . . 22 A H2' . 15360 1 257 . 2 2 10 10 DA H2'' H 1 2.831 0.02 . . . . . . 22 A H2'' . 15360 1 258 . 2 2 10 10 DA H3' H 1 5.042 0.02 . . . . . . 22 A H3' . 15360 1 259 . 2 2 10 10 DA H4' H 1 4.412 0.02 . . . . . . 22 A H4' . 15360 1 260 . 2 2 10 10 DA H5' H 1 4.183 0.02 . . . . . . 22 A H5' . 15360 1 261 . 2 2 10 10 DA H5'' H 1 4.148 0.02 . . . . . . 22 A H5'' . 15360 1 262 . 2 2 10 10 DA H8 H 1 8.098 0.02 . . . . . . 22 A H8 . 15360 1 263 . 2 2 10 10 DA H61 H 1 7.973 0.02 . . . . . . 22 A H61 . 15360 1 264 . 2 2 10 10 DA H62 H 1 5.981 0.02 . . . . . . 22 A H62 . 15360 1 265 . 2 2 10 10 DA P P 31 -4.23 0.02 . . . . . . 22 A P . 15360 1 266 . 2 2 11 11 DG H1 H 1 13.06 0.02 . . . . . . 23 G H1 . 15360 1 267 . 2 2 11 11 DG H1' H 1 5.617 0.02 . . . . . . 23 G H1' . 15360 1 268 . 2 2 11 11 DG H2' H 1 2.496 0.02 . . . . . . 23 G H2' . 15360 1 269 . 2 2 11 11 DG H2'' H 1 2.644 0.02 . . . . . . 23 G H2'' . 15360 1 270 . 2 2 11 11 DG H3' H 1 4.957 0.02 . . . . . . 23 G H3' . 15360 1 271 . 2 2 11 11 DG H4' H 1 4.339 0.02 . . . . . . 23 G H4' . 15360 1 272 . 2 2 11 11 DG H5' H 1 4.167 0.02 . . . . . . 23 G H5' . 15360 1 273 . 2 2 11 11 DG H5'' H 1 4.105 0.02 . . . . . . 23 G H5'' . 15360 1 274 . 2 2 11 11 DG H8 H 1 7.623 0.02 . . . . . . 23 G H8 . 15360 1 275 . 2 2 11 11 DG H21 H 1 8.120 0.02 . . . . . . 23 G H21 . 15360 1 276 . 2 2 11 11 DG H22 H 1 7.387 0.02 . . . . . . 23 G H22 . 15360 1 277 . 2 2 11 11 DG P P 31 -4.02 0.02 . . . . . . 23 G P . 15360 1 278 . 2 2 12 12 DG H1 H 1 13.32 0.02 . . . . . . 24 G H1 . 15360 1 279 . 2 2 12 12 DG H1' H 1 6.121 0.02 . . . . . . 24 G H1' . 15360 1 280 . 2 2 12 12 DG H2' H 1 2.424 0.02 . . . . . . 24 G H2' . 15360 1 281 . 2 2 12 12 DG H2'' H 1 2.351 0.02 . . . . . . 24 G H2'' . 15360 1 282 . 2 2 12 12 DG H3' H 1 4.601 0.02 . . . . . . 24 G H3' . 15360 1 283 . 2 2 12 12 DG H4' H 1 4.207 0.02 . . . . . . 24 G H4' . 15360 1 284 . 2 2 12 12 DG H5' H 1 4.101 0.02 . . . . . . 24 G H5' . 15360 1 285 . 2 2 12 12 DG H5'' H 1 4.101 0.02 . . . . . . 24 G H5'' . 15360 1 286 . 2 2 12 12 DG H8 H 1 7.674 0.02 . . . . . . 24 G H8 . 15360 1 287 . 2 2 12 12 DG H21 H 1 8.354 0.02 . . . . . . 24 G H21 . 15360 1 288 . 2 2 12 12 DG H22 H 1 6.977 0.02 . . . . . . 24 G H22 . 15360 1 stop_ save_