################################### # 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 15856 _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 0.005 _Assigned_chem_shift_list.Chem_shift_13C_err 0.05 _Assigned_chem_shift_list.Chem_shift_15N_err 0.05 _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' . . . 15856 1 3 '2D 1H-1H NOESY' . . . 15856 1 5 '2D 1H-13C HSQC' . . . 15856 1 6 '2D 1H-15N HSQC' . . . 15856 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 G H1 H 1 12.440 0.005 . 1 . . . . 1 G H1 . 15856 1 2 . 1 1 1 1 G H1' H 1 5.674 0.005 . 1 . . . . 1 G H1' . 15856 1 3 . 1 1 1 1 G H2' H 1 4.784 0.005 . 1 . . . . 1 G H2' . 15856 1 4 . 1 1 1 1 G H3' H 1 4.544 0.005 . 1 . . . . 1 G H3' . 15856 1 5 . 1 1 1 1 G H4' H 1 4.416 0.005 . 1 . . . . 1 G H4' . 15856 1 6 . 1 1 1 1 G H5'' H 1 4.114 0.005 . 1 . . . . 1 G H5'' . 15856 1 7 . 1 1 1 1 G H8 H 1 7.979 0.005 . 1 . . . . 1 G H8 . 15856 1 8 . 1 1 1 1 G H21 H 1 7.653 0.005 . 1 . . . . 1 G H21 . 15856 1 9 . 1 1 1 1 G H22 H 1 5.645 0.005 . 1 . . . . 1 G H22 . 15856 1 10 . 1 1 1 1 G C1' C 13 88.6 0.05 . 1 . . . . 1 G C1' . 15856 1 11 . 1 1 1 1 G C8 C 13 136.2 0.05 . 1 . . . . 1 G C8 . 15856 1 12 . 1 1 1 1 G N1 N 15 146.9 0.05 . 1 . . . . 1 G N1 . 15856 1 13 . 1 1 2 2 G H1 H 1 12.093 0.005 . 1 . . . . 2 G H1 . 15856 1 14 . 1 1 2 2 G H1' H 1 5.760 0.005 . 1 . . . . 2 G H1' . 15856 1 15 . 1 1 2 2 G H2' H 1 4.545 0.005 . 1 . . . . 2 G H2' . 15856 1 16 . 1 1 2 2 G H3' H 1 4.418 0.005 . 1 . . . . 2 G H3' . 15856 1 17 . 1 1 2 2 G H4' H 1 4.450 0.005 . 1 . . . . 2 G H4' . 15856 1 18 . 1 1 2 2 G H5'' H 1 4.114 0.005 . 1 . . . . 2 G H5'' . 15856 1 19 . 1 1 2 2 G H8 H 1 7.379 0.005 . 1 . . . . 2 G H8 . 15856 1 20 . 1 1 2 2 G H21 H 1 7.847 0.005 . 1 . . . . 2 G H21 . 15856 1 21 . 1 1 2 2 G H22 H 1 5.670 0.005 . 1 . . . . 2 G H22 . 15856 1 22 . 1 1 2 2 G C1' C 13 90.1 0.05 . 1 . . . . 2 G C1' . 15856 1 23 . 1 1 2 2 G C8 C 13 137.9 0.05 . 1 . . . . 2 G C8 . 15856 1 24 . 1 1 2 2 G N1 N 15 146.6 0.05 . 1 . . . . 2 G N1 . 15856 1 25 . 1 1 3 3 A H1' H 1 5.847 0.005 . 1 . . . . 3 A H1' . 15856 1 26 . 1 1 3 3 A H2 H 1 7.351 0.005 . 1 . . . . 3 A H2 . 15856 1 27 . 1 1 3 3 A H2' H 1 4.609 0.005 . 1 . . . . 3 A H2' . 15856 1 28 . 1 1 3 3 A H3' H 1 4.485 0.005 . 1 . . . . 3 A H3' . 15856 1 29 . 1 1 3 3 A H4' H 1 4.397 0.005 . 1 . . . . 3 A H4' . 15856 1 30 . 1 1 3 3 A H5' H 1 4.006 0.005 . 1 . . . . 3 A H5' . 15856 1 31 . 1 1 3 3 A H5'' H 1 3.936 0.005 . 1 . . . . 3 A H5'' . 15856 1 32 . 1 1 3 3 A H8 H 1 7.604 0.005 . 1 . . . . 3 A H8 . 15856 1 33 . 1 1 3 3 A H61 H 1 8.031 0.005 . 1 . . . . 3 A H61 . 15856 1 34 . 1 1 3 3 A H62 H 1 6.710 0.005 . 1 . . . . 3 A H62 . 15856 1 35 . 1 1 3 3 A C1' C 13 88.4 0.05 . 1 . . . . 3 A C1' . 15856 1 36 . 1 1 3 3 A C2 C 13 150.5 0.05 . 1 . . . . 3 A C2 . 15856 1 37 . 1 1 4 4 G H1 H 1 13.049 0.005 . 1 . . . . 4 G H1 . 15856 1 38 . 1 1 4 4 G H1' H 1 5.406 0.005 . 1 . . . . 4 G H1' . 15856 1 39 . 1 1 4 4 G H2' H 1 4.279 0.005 . 1 . . . . 4 G H2' . 15856 1 40 . 1 1 4 4 G H3' H 1 4.182 0.005 . 1 . . . . 4 G H3' . 15856 1 41 . 1 1 4 4 G H4' H 1 4.324 0.005 . 1 . . . . 4 G H4' . 15856 1 42 . 1 1 4 4 G H5'' H 1 3.886 0.005 . 1 . . . . 4 G H5'' . 15856 1 43 . 1 1 4 4 G H8 H 1 6.921 0.005 . 1 . . . . 4 G H8 . 15856 1 44 . 1 1 4 4 G H21 H 1 8.070 0.005 . 1 . . . . 4 G H21 . 15856 1 45 . 1 1 4 4 G H22 H 1 5.944 0.005 . 1 . . . . 4 G H22 . 15856 1 46 . 1 1 4 4 G C1' C 13 89.9 0.05 . 1 . . . . 4 G C1' . 15856 1 47 . 1 1 4 4 G C8 C 13 133.1 0.05 . 1 . . . . 4 G C8 . 15856 1 48 . 1 1 4 4 G N1 N 15 147.8 0.05 . 1 . . . . 4 G N1 . 15856 1 49 . 1 1 5 5 U H1' H 1 5.375 0.005 . 1 . . . . 5 U H1' . 15856 1 50 . 1 1 5 5 U H2' H 1 4.469 0.005 . 1 . . . . 5 U H2' . 15856 1 51 . 1 1 5 5 U H3 H 1 13.221 0.005 . 1 . . . . 5 U H3 . 15856 1 52 . 1 1 5 5 U H3' H 1 4.398 0.005 . 1 . . . . 5 U H3' . 15856 1 53 . 1 1 5 5 U H4' H 1 4.386 0.005 . 1 . . . . 5 U H4' . 15856 1 54 . 1 1 5 5 U H5 H 1 4.950 0.005 . 1 . . . . 5 U H5 . 15856 1 55 . 1 1 5 5 U H5'' H 1 3.937 0.005 . 1 . . . . 5 U H5'' . 15856 1 56 . 1 1 5 5 U H6 H 1 7.534 0.005 . 1 . . . . 5 U H6 . 15856 1 57 . 1 1 5 5 U C1' C 13 90.9 0.05 . 1 . . . . 5 U C1' . 15856 1 58 . 1 1 5 5 U C5 C 13 100.3 0.05 . 1 . . . . 5 U C5 . 15856 1 59 . 1 1 5 5 U C6 C 13 139.6 0.05 . 1 . . . . 5 U C6 . 15856 1 60 . 1 1 5 5 U N3 N 15 161.5 0.05 . 1 . . . . 5 U N3 . 15856 1 61 . 1 1 6 6 A H1' H 1 5.847 0.005 . 1 . . . . 6 A H1' . 15856 1 62 . 1 1 6 6 A H2 H 1 6.888 0.005 . 1 . . . . 6 A H2 . 15856 1 63 . 1 1 6 6 A H2' H 1 4.357 0.005 . 1 . . . . 6 A H2' . 15856 1 64 . 1 1 6 6 A H3' H 1 4.500 0.005 . 1 . . . . 6 A H3' . 15856 1 65 . 1 1 6 6 A H4' H 1 4.421 0.005 . 1 . . . . 6 A H4' . 15856 1 66 . 1 1 6 6 A H5'' H 1 4.016 0.005 . 1 . . . . 6 A H5'' . 15856 1 67 . 1 1 6 6 A H8 H 1 7.999 0.005 . 1 . . . . 6 A H8 . 15856 1 68 . 1 1 6 6 A H61 H 1 7.576 0.005 . 1 . . . . 6 A H61 . 15856 1 69 . 1 1 6 6 A H62 H 1 6.179 0.005 . 1 . . . . 6 A H62 . 15856 1 70 . 1 1 6 6 A C2 C 13 150.3 0.05 . 1 . . . . 6 A C2 . 15856 1 71 . 1 1 6 6 A C8 C 13 136.0 0.05 . 1 . . . . 6 A C8 . 15856 1 72 . 1 1 7 7 U H1' H 1 5.265 0.005 . 1 . . . . 7 U H1' . 15856 1 73 . 1 1 7 7 U H2' H 1 4.362 0.005 . 1 . . . . 7 U H2' . 15856 1 74 . 1 1 7 7 U H3 H 1 13.106 0.005 . 1 . . . . 7 U H3 . 15856 1 75 . 1 1 7 7 U H3' H 1 4.295 0.005 . 1 . . . . 7 U H3' . 15856 1 76 . 1 1 7 7 U H4' H 1 4.273 0.005 . 1 . . . . 7 U H4' . 15856 1 77 . 1 1 7 7 U H5 H 1 4.893 0.005 . 1 . . . . 7 U H5 . 15856 1 78 . 1 1 7 7 U H5'' H 1 3.942 0.005 . 1 . . . . 7 U H5'' . 15856 1 79 . 1 1 7 7 U H6 H 1 7.438 0.005 . 1 . . . . 7 U H6 . 15856 1 80 . 1 1 7 7 U C1' C 13 90.3 0.05 . 1 . . . . 7 U C1' . 15856 1 81 . 1 1 7 7 U C5 C 13 100.2 0.05 . 1 . . . . 7 U C5 . 15856 1 82 . 1 1 7 7 U C6 C 13 138.5 0.05 . 1 . . . . 7 U C6 . 15856 1 83 . 1 1 7 7 U N3 N 15 161.6 0.05 . 1 . . . . 7 U N3 . 15856 1 84 . 1 1 8 8 G H1 H 1 12.426 0.005 . 1 . . . . 8 G H1 . 15856 1 85 . 1 1 8 8 G H1' H 1 5.596 0.005 . 1 . . . . 8 G H1' . 15856 1 86 . 1 1 8 8 G H2' H 1 4.387 0.005 . 1 . . . . 8 G H2' . 15856 1 87 . 1 1 8 8 G H3' H 1 4.293 0.005 . 1 . . . . 8 G H3' . 15856 1 88 . 1 1 8 8 G H8 H 1 7.434 0.005 . 1 . . . . 8 G H8 . 15856 1 89 . 1 1 8 8 G H21 H 1 7.571 0.005 . 1 . . . . 8 G H21 . 15856 1 90 . 1 1 8 8 G H22 H 1 5.668 0.005 . 1 . . . . 8 G H22 . 15856 1 91 . 1 1 8 8 G C1' C 13 88.4 0.05 . 1 . . . . 8 G C1' . 15856 1 92 . 1 1 8 8 G C8 C 13 138.0 0.05 . 1 . . . . 8 G C8 . 15856 1 93 . 1 1 8 8 G N1 N 15 147.3 0.05 . 1 . . . . 8 G N1 . 15856 1 94 . 1 1 9 9 U H1' H 1 5.444 0.005 . 1 . . . . 9 U H1' . 15856 1 95 . 1 1 9 9 U H2' H 1 4.064 0.005 . 1 . . . . 9 U H2' . 15856 1 96 . 1 1 9 9 U H3 H 1 11.701 0.005 . 1 . . . . 9 U H3 . 15856 1 97 . 1 1 9 9 U H3' H 1 4.408 0.005 . 1 . . . . 9 U H3' . 15856 1 98 . 1 1 9 9 U H5 H 1 5.261 0.005 . 1 . . . . 9 U H5 . 15856 1 99 . 1 1 9 9 U H6 H 1 7.481 0.005 . 1 . . . . 9 U H6 . 15856 1 100 . 1 1 9 9 U C1' C 13 91.3 0.05 . 1 . . . . 9 U C1' . 15856 1 101 . 1 1 9 9 U C5 C 13 101.6 0.05 . 1 . . . . 9 U C5 . 15856 1 102 . 1 1 9 9 U C6 C 13 134.6 0.05 . 1 . . . . 9 U C6 . 15856 1 103 . 1 1 9 9 U N3 N 15 157.8 0.05 . 1 . . . . 9 U N3 . 15856 1 104 . 1 1 10 10 A H1' H 1 5.858 0.005 . 1 . . . . 10 A H1' . 15856 1 105 . 1 1 10 10 A H2 H 1 7.691 0.005 . 1 . . . . 10 A H2 . 15856 1 106 . 1 1 10 10 A H2' H 1 4.530 0.005 . 1 . . . . 10 A H2' . 15856 1 107 . 1 1 10 10 A H3' H 1 4.471 0.005 . 1 . . . . 10 A H3' . 15856 1 108 . 1 1 10 10 A H4' H 1 4.371 0.005 . 1 . . . . 10 A H4' . 15856 1 109 . 1 1 10 10 A H5' H 1 4.175 0.005 . 1 . . . . 10 A H5' . 15856 1 110 . 1 1 10 10 A H5'' H 1 4.002 0.005 . 1 . . . . 10 A H5'' . 15856 1 111 . 1 1 10 10 A H8 H 1 8.108 0.005 . 1 . . . . 10 A H8 . 15856 1 112 . 1 1 10 10 A C1' C 13 90.1 0.05 . 1 . . . . 10 A C1' . 15856 1 113 . 1 1 10 10 A C2 C 13 152.1 0.05 . 1 . . . . 10 A C2 . 15856 1 114 . 1 1 10 10 A C8 C 13 138.6 0.05 . 1 . . . . 10 A C8 . 15856 1 115 . 1 1 11 11 U H1' H 1 5.364 0.005 . 1 . . . . 11 U H1' . 15856 1 116 . 1 1 11 11 U H2' H 1 4.282 0.005 . 1 . . . . 11 U H2' . 15856 1 117 . 1 1 11 11 U H5 H 1 5.287 0.005 . 1 . . . . 11 U H5 . 15856 1 118 . 1 1 11 11 U H5'' H 1 3.968 0.005 . 1 . . . . 11 U H5'' . 15856 1 119 . 1 1 11 11 U H6 H 1 7.547 0.005 . 1 . . . . 11 U H6 . 15856 1 120 . 1 1 11 11 U C1' C 13 90.1 0.05 . 1 . . . . 11 U C1' . 15856 1 121 . 1 1 11 11 U C5 C 13 101.5 0.05 . 1 . . . . 11 U C5 . 15856 1 122 . 1 1 11 11 U C6 C 13 140.2 0.05 . 1 . . . . 11 U C6 . 15856 1 123 . 1 1 12 12 U H1' H 1 5.479 0.005 . 1 . . . . 12 U H1' . 15856 1 124 . 1 1 12 12 U H2' H 1 4.122 0.005 . 1 . . . . 12 U H2' . 15856 1 125 . 1 1 12 12 U H3' H 1 4.367 0.005 . 1 . . . . 12 U H3' . 15856 1 126 . 1 1 12 12 U H4' H 1 4.180 0.005 . 1 . . . . 12 U H4' . 15856 1 127 . 1 1 12 12 U H5 H 1 5.513 0.005 . 1 . . . . 12 U H5 . 15856 1 128 . 1 1 12 12 U H5'' H 1 3.890 0.005 . 1 . . . . 12 U H5'' . 15856 1 129 . 1 1 12 12 U H6 H 1 7.599 0.005 . 1 . . . . 12 U H6 . 15856 1 130 . 1 1 12 12 U C1' C 13 89.3 0.05 . 1 . . . . 12 U C1' . 15856 1 131 . 1 1 12 12 U C5 C 13 102.2 0.05 . 1 . . . . 12 U C5 . 15856 1 132 . 1 1 12 12 U C6 C 13 140.3 0.05 . 1 . . . . 12 U C6 . 15856 1 133 . 1 1 13 13 G H1' H 1 5.507 0.005 . 1 . . . . 13 G H1' . 15856 1 134 . 1 1 13 13 G H2' H 1 4.432 0.005 . 1 . . . . 13 G H2' . 15856 1 135 . 1 1 13 13 G H3' H 1 4.478 0.005 . 1 . . . . 13 G H3' . 15856 1 136 . 1 1 13 13 G H4' H 1 4.236 0.005 . 1 . . . . 13 G H4' . 15856 1 137 . 1 1 13 13 G H8 H 1 7.607 0.005 . 1 . . . . 13 G H8 . 15856 1 138 . 1 1 13 13 G C1' C 13 88.5 0.05 . 1 . . . . 13 G C1' . 15856 1 139 . 1 1 13 13 G C8 C 13 136.4 0.05 . 1 . . . . 13 G C8 . 15856 1 140 . 1 1 14 14 G H1' H 1 5.523 0.005 . 1 . . . . 14 G H1' . 15856 1 141 . 1 1 14 14 G H2' H 1 4.597 0.005 . 1 . . . . 14 G H2' . 15856 1 142 . 1 1 14 14 G H3' H 1 4.524 0.005 . 1 . . . . 14 G H3' . 15856 1 143 . 1 1 14 14 G H4' H 1 4.312 0.005 . 1 . . . . 14 G H4' . 15856 1 144 . 1 1 14 14 G H5'' H 1 3.972 0.005 . 1 . . . . 14 G H5'' . 15856 1 145 . 1 1 14 14 G H8 H 1 7.668 0.005 . 1 . . . . 14 G H8 . 15856 1 146 . 1 1 14 14 G C1' C 13 87.4 0.05 . 1 . . . . 14 G C1' . 15856 1 147 . 1 1 14 14 G C8 C 13 136.7 0.05 . 1 . . . . 14 G C8 . 15856 1 148 . 1 1 15 15 C H1' H 1 5.623 0.005 . 1 . . . . 15 C H1' . 15856 1 149 . 1 1 15 15 C H2' H 1 4.108 0.005 . 1 . . . . 15 C H2' . 15856 1 150 . 1 1 15 15 C H3' H 1 4.379 0.005 . 1 . . . . 15 C H3' . 15856 1 151 . 1 1 15 15 C H4' H 1 4.075 0.005 . 1 . . . . 15 C H4' . 15856 1 152 . 1 1 15 15 C H5 H 1 5.595 0.005 . 1 . . . . 15 C H5 . 15856 1 153 . 1 1 15 15 C H5' H 1 3.912 0.005 . 1 . . . . 15 C H5' . 15856 1 154 . 1 1 15 15 C H5'' H 1 3.883 0.005 . 1 . . . . 15 C H5'' . 15856 1 155 . 1 1 15 15 C H6 H 1 7.505 0.005 . 1 . . . . 15 C H6 . 15856 1 156 . 1 1 15 15 C C1' C 13 88.4 0.05 . 1 . . . . 15 C C1' . 15856 1 157 . 1 1 15 15 C C5 C 13 96.2 0.05 . 1 . . . . 15 C C5 . 15856 1 158 . 1 1 15 15 C C6 C 13 140.2 0.05 . 1 . . . . 15 C C6 . 15856 1 159 . 1 1 16 16 A H1' H 1 5.786 0.005 . 1 . . . . 16 A H1' . 15856 1 160 . 1 1 16 16 A H2 H 1 7.818 0.005 . 1 . . . . 16 A H2 . 15856 1 161 . 1 1 16 16 A H2' H 1 4.556 0.005 . 1 . . . . 16 A H2' . 15856 1 162 . 1 1 16 16 A H3' H 1 4.365 0.005 . 1 . . . . 16 A H3' . 15856 1 163 . 1 1 16 16 A H4' H 1 4.386 0.005 . 1 . . . . 16 A H4' . 15856 1 164 . 1 1 16 16 A H5' H 1 4.081 0.005 . 1 . . . . 16 A H5' . 15856 1 165 . 1 1 16 16 A H5'' H 1 3.947 0.005 . 1 . . . . 16 A H5'' . 15856 1 166 . 1 1 16 16 A H8 H 1 8.070 0.005 . 1 . . . . 16 A H8 . 15856 1 167 . 1 1 16 16 A C1' C 13 88.0 0.05 . 1 . . . . 16 A C1' . 15856 1 168 . 1 1 16 16 A C2 C 13 152.3 0.05 . 1 . . . . 16 A C2 . 15856 1 169 . 1 1 16 16 A C8 C 13 138.6 0.05 . 1 . . . . 16 A C8 . 15856 1 170 . 1 1 17 17 C H1' H 1 5.602 0.005 . 1 . . . . 17 C H1' . 15856 1 171 . 1 1 17 17 C H2' H 1 4.260 0.005 . 1 . . . . 17 C H2' . 15856 1 172 . 1 1 17 17 C H3' H 1 4.203 0.005 . 1 . . . . 17 C H3' . 15856 1 173 . 1 1 17 17 C H5 H 1 5.646 0.005 . 1 . . . . 17 C H5 . 15856 1 174 . 1 1 17 17 C H5'' H 1 3.957 0.005 . 1 . . . . 17 C H5'' . 15856 1 175 . 1 1 17 17 C H6 H 1 7.485 0.005 . 1 . . . . 17 C H6 . 15856 1 176 . 1 1 17 17 C C1' C 13 90.0 0.05 . 1 . . . . 17 C C1' . 15856 1 177 . 1 1 17 17 C C5 C 13 96.1 0.05 . 1 . . . . 17 C C5 . 15856 1 178 . 1 1 17 17 C C6 C 13 140.7 0.05 . 1 . . . . 17 C C6 . 15856 1 179 . 1 1 18 18 U H1' H 1 5.670 0.005 . 1 . . . . 18 U H1' . 15856 1 180 . 1 1 18 18 U H2' H 1 4.188 0.005 . 1 . . . . 18 U H2' . 15856 1 181 . 1 1 18 18 U H3' H 1 4.446 0.005 . 1 . . . . 18 U H3' . 15856 1 182 . 1 1 18 18 U H4' H 1 4.238 0.005 . 1 . . . . 18 U H4' . 15856 1 183 . 1 1 18 18 U H5 H 1 5.617 0.005 . 1 . . . . 18 U H5 . 15856 1 184 . 1 1 18 18 U H5'' H 1 3.979 0.005 . 1 . . . . 18 U H5'' . 15856 1 185 . 1 1 18 18 U H6 H 1 7.590 0.005 . 1 . . . . 18 U H6 . 15856 1 186 . 1 1 18 18 U C1' C 13 88.5 0.05 . 1 . . . . 18 U C1' . 15856 1 187 . 1 1 18 18 U C5 C 13 102.5 0.05 . 1 . . . . 18 U C5 . 15856 1 188 . 1 1 18 18 U C6 C 13 141.0 0.05 . 1 . . . . 18 U C6 . 15856 1 189 . 1 1 19 19 G H1' H 1 5.465 0.005 . 1 . . . . 19 G H1' . 15856 1 190 . 1 1 19 19 G H2' H 1 4.534 0.005 . 1 . . . . 19 G H2' . 15856 1 191 . 1 1 19 19 G H3' H 1 4.282 0.005 . 1 . . . . 19 G H3' . 15856 1 192 . 1 1 19 19 G H4' H 1 3.957 0.005 . 1 . . . . 19 G H4' . 15856 1 193 . 1 1 19 19 G H5'' H 1 3.738 0.005 . 1 . . . . 19 G H5'' . 15856 1 194 . 1 1 19 19 G H8 H 1 7.624 0.005 . 1 . . . . 19 G H8 . 15856 1 195 . 1 1 19 19 G C1' C 13 88.9 0.05 . 1 . . . . 19 G C1' . 15856 1 196 . 1 1 19 19 G C8 C 13 136.2 0.05 . 1 . . . . 19 G C8 . 15856 1 197 . 1 1 20 20 A H1' H 1 5.842 0.005 . 1 . . . . 20 A H1' . 15856 1 198 . 1 1 20 20 A H2 H 1 7.785 0.005 . 1 . . . . 20 A H2 . 15856 1 199 . 1 1 20 20 A H2' H 1 4.595 0.005 . 1 . . . . 20 A H2' . 15856 1 200 . 1 1 20 20 A H3' H 1 4.414 0.005 . 1 . . . . 20 A H3' . 15856 1 201 . 1 1 20 20 A H4' H 1 4.341 0.005 . 1 . . . . 20 A H4' . 15856 1 202 . 1 1 20 20 A H5'' H 1 3.972 0.005 . 1 . . . . 20 A H5'' . 15856 1 203 . 1 1 20 20 A H8 H 1 7.867 0.005 . 1 . . . . 20 A H8 . 15856 1 204 . 1 1 20 20 A C1' C 13 90.0 0.05 . 1 . . . . 20 A C1' . 15856 1 205 . 1 1 20 20 A C8 C 13 138.0 0.05 . 1 . . . . 20 A C8 . 15856 1 206 . 1 1 20 20 A C2 C 13 151.8 0.05 . 1 . . . . 20 A C2 . 15856 1 207 . 1 1 21 21 G H1 H 1 10.688 0.005 . 1 . . . . 21 G H1 . 15856 1 208 . 1 1 21 21 G H1' H 1 5.391 0.005 . 1 . . . . 21 G H1' . 15856 1 209 . 1 1 21 21 G H2' H 1 4.451 0.005 . 1 . . . . 21 G H2' . 15856 1 210 . 1 1 21 21 G H3' H 1 4.244 0.005 . 1 . . . . 21 G H3' . 15856 1 211 . 1 1 21 21 G H8 H 1 7.395 0.005 . 1 . . . . 21 G H8 . 15856 1 212 . 1 1 21 21 G H21 H 1 7.582 0.005 . 1 . . . . 21 G H21 . 15856 1 213 . 1 1 21 21 G H22 H 1 6.031 0.005 . 1 . . . . 21 G H22 . 15856 1 214 . 1 1 21 21 G C1' C 13 90.2 0.05 . 1 . . . . 21 G C1' . 15856 1 215 . 1 1 21 21 G C8 C 13 133.3 0.05 . 1 . . . . 21 G C8 . 15856 1 216 . 1 1 21 21 G N1 N 15 144.2 0.05 . 1 . . . . 21 G N1 . 15856 1 217 . 1 1 22 22 C H1' H 1 5.207 0.005 . 1 . . . . 22 C H1' . 15856 1 218 . 1 1 22 22 C H2' H 1 4.253 0.005 . 1 . . . . 22 C H2' . 15856 1 219 . 1 1 22 22 C H3' H 1 4.400 0.005 . 1 . . . . 22 C H3' . 15856 1 220 . 1 1 22 22 C H4' H 1 4.345 0.005 . 1 . . . . 22 C H4' . 15856 1 221 . 1 1 22 22 C H5 H 1 5.255 0.005 . 1 . . . . 22 C H5 . 15856 1 222 . 1 1 22 22 C H6 H 1 7.509 0.005 . 1 . . . . 22 C H6 . 15856 1 223 . 1 1 22 22 C H41 H 1 7.993 0.005 . 1 . . . . 22 C H41 . 15856 1 224 . 1 1 22 22 C H42 H 1 6.625 0.005 . 1 . . . . 22 C H42 . 15856 1 225 . 1 1 22 22 C C1' C 13 90.9 0.05 . 1 . . . . 22 C C1' . 15856 1 226 . 1 1 22 22 C C5 C 13 95.0 0.05 . 1 . . . . 22 C C5 . 15856 1 227 . 1 1 22 22 C C6 C 13 138.8 0.05 . 1 . . . . 22 C C6 . 15856 1 228 . 1 1 23 23 A H1' H 1 5.779 0.005 . 1 . . . . 23 A H1' . 15856 1 229 . 1 1 23 23 A H2 H 1 7.140 0.005 . 1 . . . . 23 A H2 . 15856 1 230 . 1 1 23 23 A H2' H 1 4.326 0.005 . 1 . . . . 23 A H2' . 15856 1 231 . 1 1 23 23 A H3' H 1 4.554 0.005 . 1 . . . . 23 A H3' . 15856 1 232 . 1 1 23 23 A H4' H 1 4.341 0.005 . 1 . . . . 23 A H4' . 15856 1 233 . 1 1 23 23 A H5'' H 1 3.974 0.005 . 1 . . . . 23 A H5'' . 15856 1 234 . 1 1 23 23 A H8 H 1 7.871 0.005 . 1 . . . . 23 A H8 . 15856 1 235 . 1 1 23 23 A H61 H 1 7.563 0.005 . 1 . . . . 23 A H61 . 15856 1 236 . 1 1 23 23 A H62 H 1 6.154 0.005 . 1 . . . . 23 A H62 . 15856 1 237 . 1 1 23 23 A C1' C 13 90.2 0.05 . 1 . . . . 23 A C1' . 15856 1 238 . 1 1 23 23 A C2 C 13 150.3 0.05 . 1 . . . . 23 A C2 . 15856 1 239 . 1 1 23 23 A C8 C 13 136.8 0.05 . 1 . . . . 23 A C8 . 15856 1 240 . 1 1 24 24 U H1' H 1 5.302 0.005 . 1 . . . . 24 U H1' . 15856 1 241 . 1 1 24 24 U H2' H 1 4.239 0.005 . 1 . . . . 24 U H2' . 15856 1 242 . 1 1 24 24 U H3 H 1 12.924 0.005 . 1 . . . . 24 U H3 . 15856 1 243 . 1 1 24 24 U H3' H 1 4.342 0.005 . 1 . . . . 24 U H3' . 15856 1 244 . 1 1 24 24 U H4' H 1 4.399 0.005 . 1 . . . . 24 U H4' . 15856 1 245 . 1 1 24 24 U H5 H 1 4.950 0.005 . 1 . . . . 24 U H5 . 15856 1 246 . 1 1 24 24 U H6 H 1 7.512 0.005 . 1 . . . . 24 U H6 . 15856 1 247 . 1 1 24 24 U C1' C 13 90.3 0.05 . 1 . . . . 24 U C1' . 15856 1 248 . 1 1 24 24 U C5 C 13 100.0 0.05 . 1 . . . . 24 U C5 . 15856 1 249 . 1 1 24 24 U C6 C 13 140.3 0.05 . 1 . . . . 24 U C6 . 15856 1 250 . 1 1 24 24 U N3 N 15 161.1 0.05 . 1 . . . . 24 U N3 . 15856 1 251 . 1 1 25 25 A H1' H 1 5.842 0.005 . 1 . . . . 25 A H1' . 15856 1 252 . 1 1 25 25 A H2 H 1 6.984 0.005 . 1 . . . . 25 A H2 . 15856 1 253 . 1 1 25 25 A H2' H 1 4.378 0.005 . 1 . . . . 25 A H2' . 15856 1 254 . 1 1 25 25 A H3' H 1 4.526 0.005 . 1 . . . . 25 A H3' . 15856 1 255 . 1 1 25 25 A H5'' H 1 4.028 0.005 . 1 . . . . 25 A H5'' . 15856 1 256 . 1 1 25 25 A H8 H 1 7.995 0.005 . 1 . . . . 25 A H8 . 15856 1 257 . 1 1 25 25 A H61 H 1 7.604 0.005 . 1 . . . . 25 A H61 . 15856 1 258 . 1 1 25 25 A H62 H 1 6.150 0.005 . 1 . . . . 25 A H62 . 15856 1 259 . 1 1 25 25 A C1' C 13 88.3 0.05 . 1 . . . . 25 A C1' . 15856 1 260 . 1 1 25 25 A C2 C 13 150.6 0.05 . 1 . . . . 25 A C2 . 15856 1 261 . 1 1 25 25 A C8 C 13 137.0 0.05 . 1 . . . . 25 A C8 . 15856 1 262 . 1 1 26 26 C H1' H 1 5.210 0.005 . 1 . . . . 26 C H1' . 15856 1 263 . 1 1 26 26 C H2' H 1 4.032 0.005 . 1 . . . . 26 C H2' . 15856 1 264 . 1 1 26 26 C H3' H 1 4.202 0.005 . 1 . . . . 26 C H3' . 15856 1 265 . 1 1 26 26 C H4' H 1 4.126 0.005 . 1 . . . . 26 C H4' . 15856 1 266 . 1 1 26 26 C H5 H 1 5.051 0.005 . 1 . . . . 26 C H5 . 15856 1 267 . 1 1 26 26 C H5'' H 1 3.910 0.005 . 1 . . . . 26 C H5'' . 15856 1 268 . 1 1 26 26 C H6 H 1 7.385 0.005 . 1 . . . . 26 C H6 . 15856 1 269 . 1 1 26 26 C H41 H 1 8.048 0.005 . 1 . . . . 26 C H41 . 15856 1 270 . 1 1 26 26 C H42 H 1 6.717 0.005 . 1 . . . . 26 C H42 . 15856 1 271 . 1 1 26 26 C C1' C 13 91.0 0.05 . 1 . . . . 26 C C1' . 15856 1 272 . 1 1 26 26 C C5 C 13 94.4 0.05 . 1 . . . . 26 C C5 . 15856 1 273 . 1 1 26 26 C C6 C 13 134.2 0.05 . 1 . . . . 26 C C6 . 15856 1 274 . 1 1 27 27 U H1' H 1 5.380 0.005 . 1 . . . . 27 U H1' . 15856 1 275 . 1 1 27 27 U H2' H 1 4.341 0.005 . 1 . . . . 27 U H2' . 15856 1 276 . 1 1 27 27 U H3 H 1 13.784 0.005 . 1 . . . . 27 U H3 . 15856 1 277 . 1 1 27 27 U H3' H 1 4.368 0.005 . 1 . . . . 27 U H3' . 15856 1 278 . 1 1 27 27 U H4' H 1 4.261 0.005 . 1 . . . . 27 U H4' . 15856 1 279 . 1 1 27 27 U H5 H 1 5.165 0.005 . 1 . . . . 27 U H5 . 15856 1 280 . 1 1 27 27 U H5'' H 1 3.911 0.005 . 1 . . . . 27 U H5'' . 15856 1 281 . 1 1 27 27 U H6 H 1 7.751 0.005 . 1 . . . . 27 U H6 . 15856 1 282 . 1 1 27 27 U C1' C 13 89.8 0.05 . 1 . . . . 27 U C1' . 15856 1 283 . 1 1 27 27 U C5 C 13 100.4 0.05 . 1 . . . . 27 U C5 . 15856 1 284 . 1 1 27 27 U C6 C 13 139.8 0.05 . 1 . . . . 27 U C6 . 15856 1 285 . 1 1 27 27 U N3 N 15 162.4 0.05 . 1 . . . . 27 U N3 . 15856 1 286 . 1 1 28 28 C H1' H 1 5.439 0.005 . 1 . . . . 28 C H1' . 15856 1 287 . 1 1 28 28 C H2' H 1 4.060 0.005 . 1 . . . . 28 C H2' . 15856 1 288 . 1 1 28 28 C H3' H 1 4.309 0.005 . 1 . . . . 28 C H3' . 15856 1 289 . 1 1 28 28 C H4' H 1 4.249 0.005 . 1 . . . . 28 C H4' . 15856 1 290 . 1 1 28 28 C H5 H 1 5.478 0.005 . 1 . . . . 28 C H5 . 15856 1 291 . 1 1 28 28 C H5'' H 1 3.915 0.005 . 1 . . . . 28 C H5'' . 15856 1 292 . 1 1 28 28 C H6 H 1 7.762 0.005 . 1 . . . . 28 C H6 . 15856 1 293 . 1 1 28 28 C H41 H 1 8.027 0.005 . 1 . . . . 28 C H41 . 15856 1 294 . 1 1 28 28 C H42 H 1 6.704 0.005 . 1 . . . . 28 C H42 . 15856 1 295 . 1 1 28 28 C C1' C 13 90.0 0.05 . 1 . . . . 28 C C1' . 15856 1 296 . 1 1 28 28 C C5 C 13 94.6 0.05 . 1 . . . . 28 C C5 . 15856 1 297 . 1 1 28 28 C C6 C 13 138.9 0.05 . 1 . . . . 28 C C6 . 15856 1 298 . 1 1 29 29 C H1' H 1 5.566 0.005 . 1 . . . . 29 C H1' . 15856 1 299 . 1 1 29 29 C H2' H 1 3.828 0.005 . 1 . . . . 29 C H2' . 15856 1 300 . 1 1 29 29 C H3' H 1 3.856 0.005 . 1 . . . . 29 C H3' . 15856 1 301 . 1 1 29 29 C H4' H 1 4.011 0.005 . 1 . . . . 29 C H4' . 15856 1 302 . 1 1 29 29 C H5 H 1 5.319 0.005 . 1 . . . . 29 C H5 . 15856 1 303 . 1 1 29 29 C H6 H 1 7.503 0.005 . 1 . . . . 29 C H6 . 15856 1 304 . 1 1 29 29 C H41 H 1 8.023 0.005 . 1 . . . . 29 C H41 . 15856 1 305 . 1 1 29 29 C H42 H 1 6.654 0.005 . 1 . . . . 29 C H42 . 15856 1 306 . 1 1 29 29 C C1' C 13 90.0 0.05 . 1 . . . . 29 C C1' . 15856 1 307 . 1 1 29 29 C C5 C 13 95.3 0.05 . 1 . . . . 29 C C5 . 15856 1 308 . 1 1 29 29 C C6 C 13 138.2 0.05 . 1 . . . . 29 C C6 . 15856 1 stop_ save_