################################### # 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 15859 _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' . . . 15859 1 3 '2D 1H-1H NOESY' . . . 15859 1 4 '2D 1H-13C HSQC' . . . 15859 1 5 '2D 1H-15N HSQC' . . . 15859 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 12.462 0.005 . 1 . . . . 1 G H1 . 15859 1 2 . 1 1 1 1 G H1' H 1 5.781 0.005 . 1 . . . . 1 G H1' . 15859 1 3 . 1 1 1 1 G H2' H 1 4.883 0.005 . 1 . . . . 1 G H2' . 15859 1 4 . 1 1 1 1 G H3' H 1 4.655 0.005 . 1 . . . . 1 G H3' . 15859 1 5 . 1 1 1 1 G H4' H 1 4.514 0.005 . 1 . . . . 1 G H4' . 15859 1 6 . 1 1 1 1 G H5' H 1 4.365 0.005 . 1 . . . . 1 G H5' . 15859 1 7 . 1 1 1 1 G H5'' H 1 4.229 0.005 . 1 . . . . 1 G H5'' . 15859 1 8 . 1 1 1 1 G H8 H 1 8.074 0.005 . 1 . . . . 1 G H8 . 15859 1 9 . 1 1 1 1 G H21 H 1 7.891 0.005 . 1 . . . . 1 G H21 . 15859 1 10 . 1 1 1 1 G H22 H 1 5.604 0.005 . 1 . . . . 1 G H22 . 15859 1 11 . 1 1 1 1 G C1' C 13 88.78 0.05 . 1 . . . . 1 G C1' . 15859 1 12 . 1 1 1 1 G C8 C 13 136.31 0.05 . 1 . . . . 1 G C8 . 15859 1 13 . 1 1 1 1 G N1 N 15 146.59 0.05 . 1 . . . . 1 G N1 . 15859 1 14 . 1 1 2 2 G H1 H 1 12.085 0.005 . 1 . . . . 2 G H1 . 15859 1 15 . 1 1 2 2 G H1' H 1 5.854 0.005 . 1 . . . . 2 G H1' . 15859 1 16 . 1 1 2 2 G H2' H 1 4.652 0.005 . 1 . . . . 2 G H2' . 15859 1 17 . 1 1 2 2 G H3' H 1 4.528 0.005 . 1 . . . . 2 G H3' . 15859 1 18 . 1 1 2 2 G H4' H 1 4.547 0.005 . 1 . . . . 2 G H4' . 15859 1 19 . 1 1 2 2 G H5' H 1 4.437 0.005 . 1 . . . . 2 G H5' . 15859 1 20 . 1 1 2 2 G H5'' H 1 4.233 0.005 . 1 . . . . 2 G H5'' . 15859 1 21 . 1 1 2 2 G H8 H 1 7.489 0.005 . 1 . . . . 2 G H8 . 15859 1 22 . 1 1 2 2 G H21 H 1 7.822 0.005 . 1 . . . . 2 G H21 . 15859 1 23 . 1 1 2 2 G H22 H 1 5.665 0.005 . 1 . . . . 2 G H22 . 15859 1 24 . 1 1 2 2 G C1' C 13 90.06 0.05 . 1 . . . . 2 G C1' . 15859 1 25 . 1 1 2 2 G C8 C 13 136.72 0.05 . 1 . . . . 2 G C8 . 15859 1 26 . 1 1 2 2 G N1 N 15 146.26 0.05 . 1 . . . . 2 G N1 . 15859 1 27 . 1 1 3 3 A H1' H 1 5.954 0.005 . 1 . . . . 3 A H1' . 15859 1 28 . 1 1 3 3 A H2 H 1 7.465 0.005 . 1 . . . . 3 A H2 . 15859 1 29 . 1 1 3 3 A H2' H 1 4.716 0.005 . 1 . . . . 3 A H2' . 15859 1 30 . 1 1 3 3 A H3' H 1 4.590 0.005 . 1 . . . . 3 A H3' . 15859 1 31 . 1 1 3 3 A H4' H 1 4.487 0.005 . 1 . . . . 3 A H4' . 15859 1 32 . 1 1 3 3 A H5'' H 1 4.127 0.005 . 1 . . . . 3 A H5'' . 15859 1 33 . 1 1 3 3 A H8 H 1 7.710 0.005 . 1 . . . . 3 A H8 . 15859 1 34 . 1 1 3 3 A H61 H 1 8.049 0.005 . 1 . . . . 3 A H61 . 15859 1 35 . 1 1 3 3 A H62 H 1 6.710 0.005 . 1 . . . . 3 A H62 . 15859 1 36 . 1 1 3 3 A C1' C 13 90.2 0.05 . 1 . . . . 3 A C1' . 15859 1 37 . 1 1 3 3 A C2 C 13 150.65 0.05 . 1 . . . . 3 A C2 . 15859 1 38 . 1 1 3 3 A C8 C 13 137 0.05 . 1 . . . . 3 A C8 . 15859 1 39 . 1 1 4 4 G H1 H 1 13.040 0.005 . 1 . . . . 4 G H1 . 15859 1 40 . 1 1 4 4 G H1' H 1 5.511 0.005 . 1 . . . . 4 G H1' . 15859 1 41 . 1 1 4 4 G H2' H 1 4.390 0.005 . 1 . . . . 4 G H2' . 15859 1 42 . 1 1 4 4 G H3' H 1 4.289 0.005 . 1 . . . . 4 G H3' . 15859 1 43 . 1 1 4 4 G H4' H 1 4.434 0.005 . 1 . . . . 4 G H4' . 15859 1 44 . 1 1 4 4 G H5' H 1 4.370 0.005 . 1 . . . . 4 G H5' . 15859 1 45 . 1 1 4 4 G H5'' H 1 3.997 0.005 . 1 . . . . 4 G H5'' . 15859 1 46 . 1 1 4 4 G H8 H 1 7.012 0.005 . 1 . . . . 4 G H8 . 15859 1 47 . 1 1 4 4 G H21 H 1 8.082 0.005 . 1 . . . . 4 G H21 . 15859 1 48 . 1 1 4 4 G H22 H 1 5.943 0.005 . 1 . . . . 4 G H22 . 15859 1 49 . 1 1 4 4 G C1' C 13 90.23 0.05 . 1 . . . . 4 G C1' . 15859 1 50 . 1 1 4 4 G C8 C 13 133.23 0.05 . 1 . . . . 4 G C8 . 15859 1 51 . 1 1 4 4 G N1 N 15 147.44 0.05 . 1 . . . . 4 G N1 . 15859 1 52 . 1 1 5 5 U H1' H 1 5.485 0.005 . 1 . . . . 5 U H1' . 15859 1 53 . 1 1 5 5 U H2' H 1 4.558 0.005 . 1 . . . . 5 U H2' . 15859 1 54 . 1 1 5 5 U H3 H 1 13.209 0.005 . 1 . . . . 5 U H3 . 15859 1 55 . 1 1 5 5 U H3' H 1 4.510 0.005 . 1 . . . . 5 U H3' . 15859 1 56 . 1 1 5 5 U H4' H 1 4.412 0.005 . 1 . . . . 5 U H4' . 15859 1 57 . 1 1 5 5 U H5 H 1 5.058 0.005 . 1 . . . . 5 U H5 . 15859 1 58 . 1 1 5 5 U H5'' H 1 4.053 0.005 . 1 . . . . 5 U H5'' . 15859 1 59 . 1 1 5 5 U H6 H 1 7.629 0.005 . 1 . . . . 5 U H6 . 15859 1 60 . 1 1 5 5 U C1' C 13 90.81 0.05 . 1 . . . . 5 U C1' . 15859 1 61 . 1 1 5 5 U C5 C 13 100.44 0.05 . 1 . . . . 5 U C5 . 15859 1 62 . 1 1 5 5 U C6 C 13 138.42 0.05 . 1 . . . . 5 U C6 . 15859 1 63 . 1 1 5 5 U N3 N 15 161.24 0.05 . 1 . . . . 5 U N3 . 15859 1 64 . 1 1 6 6 A H1' H 1 5.959 0.005 . 1 . . . . 6 A H1' . 15859 1 65 . 1 1 6 6 A H2 H 1 7.007 0.005 . 1 . . . . 6 A H2 . 15859 1 66 . 1 1 6 6 A H2' H 1 4.443 0.005 . 1 . . . . 6 A H2' . 15859 1 67 . 1 1 6 6 A H3' H 1 4.619 0.005 . 1 . . . . 6 A H3' . 15859 1 68 . 1 1 6 6 A H4' H 1 4.525 0.005 . 1 . . . . 6 A H4' . 15859 1 69 . 1 1 6 6 A H5'' H 1 4.137 0.005 . 1 . . . . 6 A H5'' . 15859 1 70 . 1 1 6 6 A H8 H 1 8.111 0.005 . 1 . . . . 6 A H8 . 15859 1 71 . 1 1 6 6 A H61 H 1 7.573 0.005 . 1 . . . . 6 A H61 . 15859 1 72 . 1 1 6 6 A H62 H 1 6.181 0.005 . 1 . . . . 6 A H62 . 15859 1 73 . 1 1 6 6 A C1' C 13 88.76 0.05 . 1 . . . . 6 A C1' . 15859 1 74 . 1 1 6 6 A C2 C 13 150.5 0.05 . 1 . . . . 6 A C2 . 15859 1 75 . 1 1 6 6 A C8 C 13 137.07 0.05 . 1 . . . . 6 A C8 . 15859 1 76 . 1 1 7 7 U H1' H 1 5.382 0.005 . 1 . . . . 7 U H1' . 15859 1 77 . 1 1 7 7 U H2' H 1 4.396 0.005 . 1 . . . . 7 U H2' . 15859 1 78 . 1 1 7 7 U H3 H 1 13.137 0.005 . 1 . . . . 7 U H3 . 15859 1 79 . 1 1 7 7 U H4' H 1 4.486 0.005 . 1 . . . . 7 U H4' . 15859 1 80 . 1 1 7 7 U H5 H 1 4.985 0.005 . 1 . . . . 7 U H5 . 15859 1 81 . 1 1 7 7 U H6 H 1 7.554 0.005 . 1 . . . . 7 U H6 . 15859 1 82 . 1 1 7 7 U C1' C 13 90.42 0.05 . 1 . . . . 7 U C1' . 15859 1 83 . 1 1 7 7 U C5 C 13 100.46 0.05 . 1 . . . . 7 U C5 . 15859 1 84 . 1 1 7 7 U C6 C 13 137.54 0.05 . 1 . . . . 7 U C6 . 15859 1 85 . 1 1 7 7 U N3 N 15 161.52 0.05 . 1 . . . . 7 U N3 . 15859 1 86 . 1 1 8 8 G H1 H 1 12.298 0.005 . 1 . . . . 8 G H1 . 15859 1 87 . 1 1 8 8 G H1' H 1 5.719 0.005 . 1 . . . . 8 G H1' . 15859 1 88 . 1 1 8 8 G H2' H 1 4.403 0.005 . 1 . . . . 8 G H2' . 15859 1 89 . 1 1 8 8 G H3' H 1 4.431 0.005 . 1 . . . . 8 G H3' . 15859 1 90 . 1 1 8 8 G H5'' H 1 4.058 0.005 . 1 . . . . 8 G H5'' . 15859 1 91 . 1 1 8 8 G H8 H 1 7.507 0.005 . 1 . . . . 8 G H8 . 15859 1 92 . 1 1 8 8 G H21 H 1 7.628 0.005 . 1 . . . . 8 G H21 . 15859 1 93 . 1 1 8 8 G H22 H 1 5.726 0.005 . 1 . . . . 8 G H22 . 15859 1 94 . 1 1 8 8 G C1' C 13 90.05 0.05 . 1 . . . . 8 G C1' . 15859 1 95 . 1 1 8 8 G C8 C 13 133.19 0.05 . 1 . . . . 8 G C8 . 15859 1 96 . 1 1 8 8 G N1 N 15 146.55 0.05 . 1 . . . . 8 G N1 . 15859 1 97 . 1 1 9 9 U H1' H 1 5.351 0.005 . 1 . . . . 9 U H1' . 15859 1 98 . 1 1 9 9 U H2' H 1 4.184 0.005 . 1 . . . . 9 U H2' . 15859 1 99 . 1 1 9 9 U H3 H 1 11.203 0.005 . 1 . . . . 9 U H3 . 15859 1 100 . 1 1 9 9 U H3' H 1 4.418 0.005 . 1 . . . . 9 U H3' . 15859 1 101 . 1 1 9 9 U H4' H 1 4.299 0.005 . 1 . . . . 9 U H4' . 15859 1 102 . 1 1 9 9 U H5 H 1 5.312 0.005 . 1 . . . . 9 U H5 . 15859 1 103 . 1 1 9 9 U H5' H 1 4.050 0.005 . 1 . . . . 9 U H5' . 15859 1 104 . 1 1 9 9 U H5'' H 1 4.018 0.005 . 1 . . . . 9 U H5'' . 15859 1 105 . 1 1 9 9 U H6 H 1 7.488 0.005 . 1 . . . . 9 U H6 . 15859 1 106 . 1 1 9 9 U C1' C 13 90.96 0.05 . 1 . . . . 9 U C1' . 15859 1 107 . 1 1 9 9 U C5 C 13 102.01 0.05 . 1 . . . . 9 U C5 . 15859 1 108 . 1 1 9 9 U C6 C 13 134.31 0.05 . 1 . . . . 9 U C6 . 15859 1 109 . 1 1 9 9 U N3 N 15 156.77 0.05 . 1 . . . . 9 U N3 . 15859 1 110 . 1 1 10 10 G H1 H 1 10.387 0.005 . 1 . . . . 10 G H1 . 15859 1 111 . 1 1 10 10 G H1' H 1 5.555 0.005 . 1 . . . . 10 G H1' . 15859 1 112 . 1 1 10 10 G H2' H 1 4.510 0.005 . 1 . . . . 10 G H2' . 15859 1 113 . 1 1 10 10 G H3' H 1 4.666 0.005 . 1 . . . . 10 G H3' . 15859 1 114 . 1 1 10 10 G H4' H 1 4.402 0.005 . 1 . . . . 10 G H4' . 15859 1 115 . 1 1 10 10 G H5' H 1 4.331 0.005 . 1 . . . . 10 G H5' . 15859 1 116 . 1 1 10 10 G H5'' H 1 4.053 0.005 . 1 . . . . 10 G H5'' . 15859 1 117 . 1 1 10 10 G H8 H 1 7.656 0.005 . 1 . . . . 10 G H8 . 15859 1 118 . 1 1 10 10 G H22 H 1 5.931 0.005 . 1 . . . . 10 G H22 . 15859 1 119 . 1 1 10 10 G C1' C 13 88.87 0.05 . 1 . . . . 10 G C1' . 15859 1 120 . 1 1 10 10 G C8 C 13 134.2 0.05 . 1 . . . . 10 G C8 . 15859 1 121 . 1 1 10 10 G N1 N 15 145.59 0.05 . 1 . . . . 10 G N1 . 15859 1 122 . 1 1 11 11 A H1' H 1 5.628 0.005 . 1 . . . . 11 A H1' . 15859 1 123 . 1 1 11 11 A H2 H 1 7.764 0.005 . 1 . . . . 11 A H2 . 15859 1 124 . 1 1 11 11 A H2' H 1 4.617 0.005 . 1 . . . . 11 A H2' . 15859 1 125 . 1 1 11 11 A H3' H 1 4.428 0.005 . 1 . . . . 11 A H3' . 15859 1 126 . 1 1 11 11 A H4' H 1 4.089 0.005 . 1 . . . . 11 A H4' . 15859 1 127 . 1 1 11 11 A H5'' H 1 3.936 0.005 . 1 . . . . 11 A H5'' . 15859 1 128 . 1 1 11 11 A H8 H 1 8.296 0.005 . 1 . . . . 11 A H8 . 15859 1 129 . 1 1 11 11 A C1' C 13 88.71 0.05 . 1 . . . . 11 A C1' . 15859 1 130 . 1 1 11 11 A C2 C 13 151.66 0.05 . 1 . . . . 11 A C2 . 15859 1 131 . 1 1 11 11 A C8 C 13 139.59 0.05 . 1 . . . . 11 A C8 . 15859 1 132 . 1 1 12 12 A H1' H 1 5.465 0.005 . 1 . . . . 12 A H1' . 15859 1 133 . 1 1 12 12 A H2 H 1 7.700 0.005 . 1 . . . . 12 A H2 . 15859 1 134 . 1 1 12 12 A H2' H 1 4.365 0.005 . 1 . . . . 12 A H2' . 15859 1 135 . 1 1 12 12 A H3' H 1 4.583 0.005 . 1 . . . . 12 A H3' . 15859 1 136 . 1 1 12 12 A H4' H 1 4.266 0.005 . 1 . . . . 12 A H4' . 15859 1 137 . 1 1 12 12 A H5' H 1 3.962 0.005 . 1 . . . . 12 A H5' . 15859 1 138 . 1 1 12 12 A H5'' H 1 3.855 0.005 . 1 . . . . 12 A H5'' . 15859 1 139 . 1 1 12 12 A H8 H 1 7.914 0.005 . 1 . . . . 12 A H8 . 15859 1 140 . 1 1 12 12 A C1' C 13 89.44 0.05 . 1 . . . . 12 A C1' . 15859 1 141 . 1 1 12 12 A C2 C 13 151.75 0.05 . 1 . . . . 12 A C2 . 15859 1 142 . 1 1 13 13 A H1' H 1 5.984 0.005 . 1 . . . . 13 A H1' . 15859 1 143 . 1 1 13 13 A H2 H 1 8.087 0.005 . 1 . . . . 13 A H2 . 15859 1 144 . 1 1 13 13 A H2' H 1 4.586 0.005 . 1 . . . . 13 A H2' . 15859 1 145 . 1 1 13 13 A H3' H 1 5.005 0.005 . 1 . . . . 13 A H3' . 15859 1 146 . 1 1 13 13 A H4' H 1 4.454 0.005 . 1 . . . . 13 A H4' . 15859 1 147 . 1 1 13 13 A H5'' H 1 4.275 0.005 . 1 . . . . 13 A H5'' . 15859 1 148 . 1 1 13 13 A H8 H 1 8.153 0.005 . 1 . . . . 13 A H8 . 15859 1 149 . 1 1 13 13 A C1' C 13 90.02 0.05 . 1 . . . . 13 A C1' . 15859 1 150 . 1 1 13 13 A C2 C 13 152.71 0.05 . 1 . . . . 13 A C2 . 15859 1 151 . 1 1 13 13 A C8 C 13 137.92 0.05 . 1 . . . . 13 A C8 . 15859 1 152 . 1 1 14 14 G H1 H 1 10.983 0.005 . 1 . . . . 14 G H1 . 15859 1 153 . 1 1 14 14 G H1' H 1 4.053 0.005 . 1 . . . . 14 G H1' . 15859 1 154 . 1 1 14 14 G H2' H 1 4.331 0.005 . 1 . . . . 14 G H2' . 15859 1 155 . 1 1 14 14 G H3' H 1 4.266 0.005 . 1 . . . . 14 G H3' . 15859 1 156 . 1 1 14 14 G H5'' H 1 3.914 0.005 . 1 . . . . 14 G H5'' . 15859 1 157 . 1 1 14 14 G H8 H 1 7.701 0.005 . 1 . . . . 14 G H8 . 15859 1 158 . 1 1 14 14 G H21 H 1 8.070 0.005 . 1 . . . . 14 G H21 . 15859 1 159 . 1 1 14 14 G H22 H 1 5.937 0.005 . 1 . . . . 14 G H22 . 15859 1 160 . 1 1 14 14 G C8 C 13 134.68 0.05 . 1 . . . . 14 G C8 . 15859 1 161 . 1 1 14 14 G N1 N 15 144.07 0.05 . 1 . . . . 14 G N1 . 15859 1 162 . 1 1 15 15 C H1' H 1 5.360 0.005 . 1 . . . . 15 C H1' . 15859 1 163 . 1 1 15 15 C H2' H 1 4.371 0.005 . 1 . . . . 15 C H2' . 15859 1 164 . 1 1 15 15 C H3' H 1 4.482 0.005 . 1 . . . . 15 C H3' . 15859 1 165 . 1 1 15 15 C H5 H 1 5.288 0.005 . 1 . . . . 15 C H5 . 15859 1 166 . 1 1 15 15 C H6 H 1 7.569 0.005 . 1 . . . . 15 C H6 . 15859 1 167 . 1 1 15 15 C H41 H 1 8.072 0.005 . 1 . . . . 15 C H41 . 15859 1 168 . 1 1 15 15 C H42 H 1 6.702 0.005 . 1 . . . . 15 C H42 . 15859 1 169 . 1 1 15 15 C C1' C 13 90.59 0.05 . 1 . . . . 15 C C1' . 15859 1 170 . 1 1 15 15 C C5 C 13 94.75 0.05 . 1 . . . . 15 C C5 . 15859 1 171 . 1 1 15 15 C C6 C 13 138.53 0.05 . 1 . . . . 15 C C6 . 15859 1 172 . 1 1 16 16 A H1' H 1 5.880 0.005 . 1 . . . . 16 A H1' . 15859 1 173 . 1 1 16 16 A H2 H 1 7.208 0.005 . 1 . . . . 16 A H2 . 15859 1 174 . 1 1 16 16 A H2' H 1 4.412 0.005 . 1 . . . . 16 A H2' . 15859 1 175 . 1 1 16 16 A H3' H 1 4.643 0.005 . 1 . . . . 16 A H3' . 15859 1 176 . 1 1 16 16 A H4' H 1 4.443 0.005 . 1 . . . . 16 A H4' . 15859 1 177 . 1 1 16 16 A H5'' H 1 4.091 0.005 . 1 . . . . 16 A H5'' . 15859 1 178 . 1 1 16 16 A H8 H 1 7.983 0.005 . 1 . . . . 16 A H8 . 15859 1 179 . 1 1 16 16 A H61 H 1 7.559 0.005 . 1 . . . . 16 A H61 . 15859 1 180 . 1 1 16 16 A H62 H 1 6.180 0.005 . 1 . . . . 16 A H62 . 15859 1 181 . 1 1 16 16 A C1' C 13 90.35 0.05 . 1 . . . . 16 A C1' . 15859 1 182 . 1 1 16 16 A C2 C 13 150.45 0.05 . 1 . . . . 16 A C2 . 15859 1 183 . 1 1 16 16 A C8 C 13 136.9 0.05 . 1 . . . . 16 A C8 . 15859 1 184 . 1 1 17 17 U H1' H 1 5.382 0.005 . 1 . . . . 17 U H1' . 15859 1 185 . 1 1 17 17 U H2' H 1 4.336 0.005 . 1 . . . . 17 U H2' . 15859 1 186 . 1 1 17 17 U H3 H 1 12.918 0.005 . 1 . . . . 17 U H3 . 15859 1 187 . 1 1 17 17 U H3' H 1 4.444 0.005 . 1 . . . . 17 U H3' . 15859 1 188 . 1 1 17 17 U H4' H 1 4.378 0.005 . 1 . . . . 17 U H4' . 15859 1 189 . 1 1 17 17 U H5 H 1 5.052 0.005 . 1 . . . . 17 U H5 . 15859 1 190 . 1 1 17 17 U H6 H 1 7.569 0.005 . 1 . . . . 17 U H6 . 15859 1 191 . 1 1 17 17 U C1' C 13 90.28 0.05 . 1 . . . . 17 U C1' . 15859 1 192 . 1 1 17 17 U C5 C 13 100.11 0.05 . 1 . . . . 17 U C5 . 15859 1 193 . 1 1 17 17 U C6 C 13 138.04 0.05 . 1 . . . . 17 U C6 . 15859 1 194 . 1 1 17 17 U N3 N 15 160.68 0.05 . 1 . . . . 17 U N3 . 15859 1 195 . 1 1 18 18 A H1' H 1 5.933 0.005 . 1 . . . . 18 A H1' . 15859 1 196 . 1 1 18 18 A H2 H 1 7.083 0.005 . 1 . . . . 18 A H2 . 15859 1 197 . 1 1 18 18 A H2' H 1 4.484 0.005 . 1 . . . . 18 A H2' . 15859 1 198 . 1 1 18 18 A H3' H 1 4.601 0.005 . 1 . . . . 18 A H3' . 15859 1 199 . 1 1 18 18 A H4' H 1 4.456 0.005 . 1 . . . . 18 A H4' . 15859 1 200 . 1 1 18 18 A H5'' H 1 4.116 0.005 . 1 . . . . 18 A H5'' . 15859 1 201 . 1 1 18 18 A H8 H 1 8.067 0.005 . 1 . . . . 18 A H8 . 15859 1 202 . 1 1 18 18 A H61 H 1 7.658 0.005 . 1 . . . . 18 A H61 . 15859 1 203 . 1 1 18 18 A H62 H 1 6.165 0.005 . 1 . . . . 18 A H62 . 15859 1 204 . 1 1 18 18 A C1' C 13 90.04 0.05 . 1 . . . . 18 A C1' . 15859 1 205 . 1 1 18 18 A C2 C 13 150.68 0.05 . 1 . . . . 18 A C2 . 15859 1 206 . 1 1 18 18 A C8 C 13 136.92 0.05 . 1 . . . . 18 A C8 . 15859 1 207 . 1 1 19 19 C H1' H 1 5.298 0.005 . 1 . . . . 19 C H1' . 15859 1 208 . 1 1 19 19 C H2' H 1 4.142 0.005 . 1 . . . . 19 C H2' . 15859 1 209 . 1 1 19 19 C H3' H 1 4.283 0.005 . 1 . . . . 19 C H3' . 15859 1 210 . 1 1 19 19 C H4' H 1 4.349 0.005 . 1 . . . . 19 C H4' . 15859 1 211 . 1 1 19 19 C H5 H 1 5.158 0.005 . 1 . . . . 19 C H5 . 15859 1 212 . 1 1 19 19 C H5'' H 1 4.014 0.005 . 1 . . . . 19 C H5'' . 15859 1 213 . 1 1 19 19 C H6 H 1 7.435 0.005 . 1 . . . . 19 C H6 . 15859 1 214 . 1 1 19 19 C H41 H 1 8.057 0.005 . 1 . . . . 19 C H41 . 15859 1 215 . 1 1 19 19 C H42 H 1 6.738 0.005 . 1 . . . . 19 C H42 . 15859 1 216 . 1 1 19 19 C C1' C 13 91.07 0.05 . 1 . . . . 19 C C1' . 15859 1 217 . 1 1 19 19 C C5 C 13 94.46 0.05 . 1 . . . . 19 C C5 . 15859 1 218 . 1 1 19 19 C C6 C 13 137.88 0.05 . 1 . . . . 19 C C6 . 15859 1 219 . 1 1 20 20 U H1' H 1 5.488 0.005 . 1 . . . . 20 U H1' . 15859 1 220 . 1 1 20 20 U H2' H 1 4.439 0.005 . 1 . . . . 20 U H2' . 15859 1 221 . 1 1 20 20 U H3 H 1 13.774 0.005 . 1 . . . . 20 U H3 . 15859 1 222 . 1 1 20 20 U H3' H 1 4.469 0.005 . 1 . . . . 20 U H3' . 15859 1 223 . 1 1 20 20 U H5 H 1 5.267 0.005 . 1 . . . . 20 U H5 . 15859 1 224 . 1 1 20 20 U H5'' H 1 4.019 0.005 . 1 . . . . 20 U H5'' . 15859 1 225 . 1 1 20 20 U H6 H 1 7.837 0.005 . 1 . . . . 20 U H6 . 15859 1 226 . 1 1 20 20 U C1' C 13 91.07 0.05 . 1 . . . . 20 U C1' . 15859 1 227 . 1 1 20 20 U C5 C 13 100.5 0.05 . 1 . . . . 20 U C5 . 15859 1 228 . 1 1 20 20 U C6 C 13 139.81 0.05 . 1 . . . . 20 U C6 . 15859 1 229 . 1 1 20 20 U N1 N 15 162.1 0.05 . 1 . . . . 20 U N1 . 15859 1 230 . 1 1 21 21 C H1' H 1 5.544 0.005 . 1 . . . . 21 C H1' . 15859 1 231 . 1 1 21 21 C H2' H 1 4.160 0.005 . 1 . . . . 21 C H2' . 15859 1 232 . 1 1 21 21 C H3' H 1 4.367 0.005 . 1 . . . . 21 C H3' . 15859 1 233 . 1 1 21 21 C H5 H 1 5.589 0.005 . 1 . . . . 21 C H5 . 15859 1 234 . 1 1 21 21 C H5'' H 1 4.021 0.005 . 1 . . . . 21 C H5'' . 15859 1 235 . 1 1 21 21 C H6 H 1 7.853 0.005 . 1 . . . . 21 C H6 . 15859 1 236 . 1 1 21 21 C H41 H 1 8.051 0.005 . 1 . . . . 21 C H41 . 15859 1 237 . 1 1 21 21 C H42 H 1 6.703 0.005 . 1 . . . . 21 C H42 . 15859 1 238 . 1 1 21 21 C C1' C 13 91.5 0.05 . 1 . . . . 21 C C1' . 15859 1 239 . 1 1 21 21 C C5 C 13 94.56 0.05 . 1 . . . . 21 C C5 . 15859 1 240 . 1 1 21 21 C C6 C 13 139.02 0.05 . 1 . . . . 21 C C6 . 15859 1 241 . 1 1 22 22 C H1' H 1 5.681 0.005 . 1 . . . . 22 C H1' . 15859 1 242 . 1 1 22 22 C H2' H 1 3.936 0.005 . 1 . . . . 22 C H2' . 15859 1 243 . 1 1 22 22 C H3' H 1 4.117 0.005 . 1 . . . . 22 C H3' . 15859 1 244 . 1 1 22 22 C H4' H 1 4.441 0.005 . 1 . . . . 22 C H4' . 15859 1 245 . 1 1 22 22 C H5 H 1 5.436 0.005 . 1 . . . . 22 C H5 . 15859 1 246 . 1 1 22 22 C H5'' H 1 3.974 0.005 . 1 . . . . 22 C H5'' . 15859 1 247 . 1 1 22 22 C H6 H 1 7.608 0.005 . 1 . . . . 22 C H6 . 15859 1 248 . 1 1 22 22 C H41 H 1 7.950 0.005 . 1 . . . . 22 C H41 . 15859 1 249 . 1 1 22 22 C H42 H 1 6.710 0.005 . 1 . . . . 22 C H42 . 15859 1 250 . 1 1 22 22 C C1' C 13 90.04 0.05 . 1 . . . . 22 C C1' . 15859 1 251 . 1 1 22 22 C C5 C 13 95.33 0.05 . 1 . . . . 22 C C5 . 15859 1 252 . 1 1 22 22 C C6 C 13 139.45 0.05 . 1 . . . . 22 C C6 . 15859 1 stop_ save_