################################### # 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 25780 _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' . . . 25780 1 2 '2D 1H-1H TOCSY' . . . 25780 1 4 '2D 1H-13C HSQC' . . . 25780 1 5 '2D 1H-15N HSQC' . . . 25780 1 6 '3D 1H-13C NOESY' . . . 25780 1 7 '3D HCCH-TOCSY' . . . 25780 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $TOPSPIN . . 25780 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 C8 C 13 136.435 0.12 . . . . . A 1 G C8 . 25780 1 2 . 1 1 1 1 G H1' H 1 5.693 0.05 . . . . . A 1 G H1' . 25780 1 3 . 1 1 1 1 G H2' H 1 4.803 0.05 . . . . . A 1 G H2' . 25780 1 4 . 1 1 1 1 G H8 H 1 8.041 0.05 . . . . . A 1 G H8 . 25780 1 5 . 1 1 2 2 G H1 H 1 12.252 0.05 . . . . . A 2 G H1 . 25780 1 6 . 1 1 2 2 G H1' H 1 5.787 0.05 . . . . . A 2 G H1' . 25780 1 7 . 1 1 2 2 G H2' H 1 4.581 0.05 . . . . . A 2 G H2' . 25780 1 8 . 1 1 2 2 G H3' H 1 4.475 0.05 . . . . . A 2 G H3' . 25780 1 9 . 1 1 2 2 G H8 H 1 7.448 0.05 . . . . . A 2 G H8 . 25780 1 10 . 1 1 2 2 G C1' C 13 90.191 0.12 . . . . . A 2 G C1' . 25780 1 11 . 1 1 2 2 G C8 C 13 134.391 0.12 . . . . . A 2 G C8 . 25780 1 12 . 1 1 2 2 G N1 N 15 146.706 0.12 . . . . . A 2 G N1 . 25780 1 13 . 1 1 3 3 A H1' H 1 5.840 0.05 . . . . . A 3 A H1' . 25780 1 14 . 1 1 3 3 A H2 H 1 7.104 0.05 . . . . . A 3 A H2 . 25780 1 15 . 1 1 3 3 A H2' H 1 4.569 0.05 . . . . . A 3 A H2' . 25780 1 16 . 1 1 3 3 A H8 H 1 7.662 0.05 . . . . . A 3 A H8 . 25780 1 17 . 1 1 3 3 A C1' C 13 90.792 0.12 . . . . . A 3 A C1' . 25780 1 18 . 1 1 3 3 A C2 C 13 150.258 0.12 . . . . . A 3 A C2 . 25780 1 19 . 1 1 3 3 A C8 C 13 136.754 0.12 . . . . . A 3 A C8 . 25780 1 20 . 1 1 4 4 A H1' H 1 5.751 0.05 . . . . . A 4 A H1' . 25780 1 21 . 1 1 4 4 A H2 H 1 7.666 0.05 . . . . . A 4 A H2 . 25780 1 22 . 1 1 4 4 A H2' H 1 4.421 0.05 . . . . . A 4 A H2' . 25780 1 23 . 1 1 4 4 A H8 H 1 7.578 0.05 . . . . . A 4 A H8 . 25780 1 24 . 1 1 4 4 A C2 C 13 150.880 0.12 . . . . . A 4 A C2 . 25780 1 25 . 1 1 4 4 A C8 C 13 136.509 0.12 . . . . . A 4 A C8 . 25780 1 26 . 1 1 5 5 U H1' H 1 5.297 0.05 . . . . . A 5 U H1' . 25780 1 27 . 1 1 5 5 U H2' H 1 4.435 0.05 . . . . . A 5 U H2' . 25780 1 28 . 1 1 5 5 U H3 H 1 13.982 0.05 . . . . . A 5 U H3 . 25780 1 29 . 1 1 5 5 U H5 H 1 4.871 0.05 . . . . . A 5 U H5 . 25780 1 30 . 1 1 5 5 U H6 H 1 7.257 0.05 . . . . . A 5 U H6 . 25780 1 31 . 1 1 5 5 U C1' C 13 90.926 0.12 . . . . . A 5 U C1' . 25780 1 32 . 1 1 5 5 U C5 C 13 100.600 0.12 . . . . . A 5 U C5 . 25780 1 33 . 1 1 5 5 U C6 C 13 138.160 0.12 . . . . . A 5 U C6 . 25780 1 34 . 1 1 5 5 U N3 N 15 161.556 0.12 . . . . . A 5 U N3 . 25780 1 35 . 1 1 6 6 U H1' H 1 5.366 0.05 . . . . . A 6 U H1' . 25780 1 36 . 1 1 6 6 U H2' H 1 4.042 0.05 . . . . . A 6 U H2' . 25780 1 37 . 1 1 6 6 U H3 H 1 11.598 0.05 . . . . . A 6 U H3 . 25780 1 38 . 1 1 6 6 U H3' H 1 4.104 0.05 . . . . . A 6 U H3' . 25780 1 39 . 1 1 6 6 U H5 H 1 5.561 0.05 . . . . . A 6 U H5 . 25780 1 40 . 1 1 6 6 U H6 H 1 7.742 0.05 . . . . . A 6 U H6 . 25780 1 41 . 1 1 6 6 U C5 C 13 102.398 0.12 . . . . . A 6 U C5 . 25780 1 42 . 1 1 6 6 U N3 N 15 157.940 0.12 . . . . . A 6 U N3 . 25780 1 43 . 1 1 7 7 U H1' H 1 5.354 0.05 . . . . . A 7 U H1' . 25780 1 44 . 1 1 7 7 U H2' H 1 4.409 0.05 . . . . . A 7 U H2' . 25780 1 45 . 1 1 7 7 U H3 H 1 13.207 0.05 . . . . . A 7 U H3 . 25780 1 46 . 1 1 7 7 U H3' H 1 4.471 0.05 . . . . . A 7 U H3' . 25780 1 47 . 1 1 7 7 U H5 H 1 5.523 0.05 . . . . . A 7 U H5 . 25780 1 48 . 1 1 7 7 U H6 H 1 7.906 0.05 . . . . . A 7 U H6 . 25780 1 49 . 1 1 7 7 U C5 C 13 100.918 0.12 . . . . . A 7 U C5 . 25780 1 50 . 1 1 7 7 U C6 C 13 140.199 0.12 . . . . . A 7 U C6 . 25780 1 51 . 1 1 7 7 U N3 N 15 161.513 0.12 . . . . . A 7 U N3 . 25780 1 52 . 1 1 8 8 A H1' H 1 5.862 0.05 . . . . . A 8 A H1' . 25780 1 53 . 1 1 8 8 A H2 H 1 6.950 0.05 . . . . . A 8 A H2 . 25780 1 54 . 1 1 8 8 A H2' H 1 4.272 0.05 . . . . . A 8 A H2' . 25780 1 55 . 1 1 8 8 A H8 H 1 8.065 0.05 . . . . . A 8 A H8 . 25780 1 56 . 1 1 8 8 A C1' C 13 90.279 0.12 . . . . . A 8 A C1' . 25780 1 57 . 1 1 8 8 A C2 C 13 150.498 0.12 . . . . . A 8 A C2 . 25780 1 58 . 1 1 8 8 A C8 C 13 137.271 0.12 . . . . . A 8 A C8 . 25780 1 59 . 1 1 9 9 U H1' H 1 5.391 0.05 . . . . . A 9 U H1' . 25780 1 60 . 1 1 9 9 U H2' H 1 4.339 0.05 . . . . . A 9 U H2' . 25780 1 61 . 1 1 9 9 U H3 H 1 13.395 0.05 . . . . . A 9 U H3 . 25780 1 62 . 1 1 9 9 U H3' H 1 4.353 0.05 . . . . . A 9 U H3' . 25780 1 63 . 1 1 9 9 U H5 H 1 4.965 0.05 . . . . . A 9 U H5 . 25780 1 64 . 1 1 9 9 U H6 H 1 7.437 0.05 . . . . . A 9 U H6 . 25780 1 65 . 1 1 9 9 U C1' C 13 89.620 0.12 . . . . . A 9 U C1' . 25780 1 66 . 1 1 9 9 U C5 C 13 100.415 0.12 . . . . . A 9 U C5 . 25780 1 67 . 1 1 9 9 U C6 C 13 138.398 0.12 . . . . . A 9 U C6 . 25780 1 68 . 1 1 9 9 U N3 N 15 161.800 0.12 . . . . . A 9 U N3 . 25780 1 69 . 1 1 10 10 G H1 H 1 9.780 0.05 . . . . . A 10 G H1 . 25780 1 70 . 1 1 10 10 G H1' H 1 5.547 0.05 . . . . . A 10 G H1' . 25780 1 71 . 1 1 10 10 G H2' H 1 4.621 0.05 . . . . . A 10 G H2' . 25780 1 72 . 1 1 10 10 G H3' H 1 4.200 0.05 . . . . . A 10 G H3' . 25780 1 73 . 1 1 10 10 G H8 H 1 7.456 0.05 . . . . . A 10 G H8 . 25780 1 74 . 1 1 10 10 G H21 H 1 5.862 0.05 . . . . . A 10 G H21 . 25780 1 75 . 1 1 10 10 G C8 C 13 134.540 0.12 . . . . . A 10 G C8 . 25780 1 76 . 1 1 10 10 G N1 N 15 141.559 0.12 . . . . . A 10 G N1 . 25780 1 77 . 1 1 11 11 A H1' H 1 5.729 0.05 . . . . . A 11 A H1' . 25780 1 78 . 1 1 11 11 A H2 H 1 7.392 0.05 . . . . . A 11 A H2 . 25780 1 79 . 1 1 11 11 A H2' H 1 4.571 0.05 . . . . . A 11 A H2' . 25780 1 80 . 1 1 11 11 A H3' H 1 4.502 0.05 . . . . . A 11 A H3' . 25780 1 81 . 1 1 11 11 A H8 H 1 7.485 0.05 . . . . . A 11 A H8 . 25780 1 82 . 1 1 11 11 A C1' C 13 90.339 0.12 . . . . . A 11 A C1' . 25780 1 83 . 1 1 11 11 A C2 C 13 150.569 0.12 . . . . . A 11 A C2 . 25780 1 84 . 1 1 11 11 A C8 C 13 136.526 0.12 . . . . . A 11 A C8 . 25780 1 85 . 1 1 12 12 G H1 H 1 13.157 0.05 . . . . . A 12 G H1 . 25780 1 86 . 1 1 12 12 G H1' H 1 5.468 0.05 . . . . . A 12 G H1' . 25780 1 87 . 1 1 12 12 G H2' H 1 4.337 0.05 . . . . . A 12 G H2' . 25780 1 88 . 1 1 12 12 G H3' H 1 4.231 0.05 . . . . . A 12 G H3' . 25780 1 89 . 1 1 12 12 G H8 H 1 6.953 0.05 . . . . . A 12 G H8 . 25780 1 90 . 1 1 12 12 G H21 H 1 8.320 0.05 . . . . . A 12 G H21 . 25780 1 91 . 1 1 12 12 G C1' C 13 90.479 0.12 . . . . . A 12 G C1' . 25780 1 92 . 1 1 12 12 G C8 C 13 133.291 0.12 . . . . . A 12 G C8 . 25780 1 93 . 1 1 12 12 G N1 N 15 147.823 0.12 . . . . . A 12 G N1 . 25780 1 94 . 1 1 13 13 U H1' H 1 5.421 0.05 . . . . . A 13 U H1' . 25780 1 95 . 1 1 13 13 U H2' H 1 4.569 0.05 . . . . . A 13 U H2' . 25780 1 96 . 1 1 13 13 U H3 H 1 13.296 0.05 . . . . . A 13 U H3 . 25780 1 97 . 1 1 13 13 U H3' H 1 4.333 0.05 . . . . . A 13 U H3' . 25780 1 98 . 1 1 13 13 U H5 H 1 4.950 0.05 . . . . . A 13 U H5 . 25780 1 99 . 1 1 13 13 U H6 H 1 7.588 0.05 . . . . . A 13 U H6 . 25780 1 100 . 1 1 13 13 U C5 C 13 100.173 0.12 . . . . . A 13 U C5 . 25780 1 101 . 1 1 13 13 U N3 N 15 161.569 0.12 . . . . . A 13 U N3 . 25780 1 102 . 1 1 14 14 A H1' H 1 5.845 0.05 . . . . . A 14 A H1' . 25780 1 103 . 1 1 14 14 A H2 H 1 7.047 0.05 . . . . . A 14 A H2 . 25780 1 104 . 1 1 14 14 A H2' H 1 4.538 0.05 . . . . . A 14 A H2' . 25780 1 105 . 1 1 14 14 A H3' H 1 4.427 0.05 . . . . . A 14 A H3' . 25780 1 106 . 1 1 14 14 A H8 H 1 7.952 0.05 . . . . . A 14 A H8 . 25780 1 107 . 1 1 14 14 A H61 H 1 6.403 0.05 . . . . . A 14 A H61 . 25780 1 108 . 1 1 14 14 A H62 H 1 7.626 0.05 . . . . . A 14 A H62 . 25780 1 109 . 1 1 14 14 A C2 C 13 150.498 0.12 . . . . . A 14 A C2 . 25780 1 110 . 1 1 14 14 A C8 C 13 136.991 0.12 . . . . . A 14 A C8 . 25780 1 111 . 1 1 15 15 C H1' H 1 5.189 0.05 . . . . . A 15 C H1' . 25780 1 112 . 1 1 15 15 C H2' H 1 3.903 0.05 . . . . . A 15 C H2' . 25780 1 113 . 1 1 15 15 C H3' H 1 4.370 0.05 . . . . . A 15 C H3' . 25780 1 114 . 1 1 15 15 C H5 H 1 5.392 0.05 . . . . . A 15 C H5 . 25780 1 115 . 1 1 15 15 C H6 H 1 7.692 0.05 . . . . . A 15 C H6 . 25780 1 116 . 1 1 15 15 C H41 H 1 7.131 0.05 . . . . . A 15 C H41 . 25780 1 117 . 1 1 15 15 C H42 H 1 6.650 0.05 . . . . . A 15 C H42 . 25780 1 118 . 1 1 15 15 C C1' C 13 90.498 0.12 . . . . . A 15 C C1' . 25780 1 119 . 1 1 15 15 C C5 C 13 95.623 0.12 . . . . . A 15 C C5 . 25780 1 120 . 1 1 15 15 C C6 C 13 138.568 0.12 . . . . . A 15 C C6 . 25780 1 121 . 1 1 16 16 C H1' H 1 5.492 0.05 . . . . . A 16 C H1' . 25780 1 122 . 1 1 16 16 C H2' H 1 4.214 0.05 . . . . . A 16 C H2' . 25780 1 123 . 1 1 16 16 C H3' H 1 4.097 0.05 . . . . . A 16 C H3' . 25780 1 124 . 1 1 16 16 C H5 H 1 5.400 0.05 . . . . . A 16 C H5 . 25780 1 125 . 1 1 16 16 C H6 H 1 7.569 0.05 . . . . . A 16 C H6 . 25780 1 126 . 1 1 16 16 C H41 H 1 8.511 0.05 . . . . . A 16 C H41 . 25780 1 127 . 1 1 16 16 C H42 H 1 6.916 0.05 . . . . . A 16 C H42 . 25780 1 128 . 1 1 16 16 C C1' C 13 90.947 0.12 . . . . . A 16 C C1' . 25780 1 129 . 1 1 16 16 C C5 C 13 95.046 0.12 . . . . . A 16 C C5 . 25780 1 130 . 1 1 17 17 U H1' H 1 5.370 0.05 . . . . . A 17 U H1' . 25780 1 131 . 1 1 17 17 U HO2' H 1 6.450 0.05 . . . . . A 17 U HO2' . 25780 1 132 . 1 1 17 17 U H2' H 1 3.597 0.05 . . . . . A 17 U H2' . 25780 1 133 . 1 1 17 17 U H3' H 1 4.382 0.05 . . . . . A 17 U H3' . 25780 1 134 . 1 1 17 17 U H4' H 1 4.202 0.05 . . . . . A 17 U H4' . 25780 1 135 . 1 1 17 17 U H5 H 1 5.538 0.05 . . . . . A 17 U H5 . 25780 1 136 . 1 1 17 17 U H6 H 1 7.637 0.05 . . . . . A 17 U H6 . 25780 1 137 . 1 1 17 17 U C5 C 13 102.491 0.12 . . . . . A 17 U C5 . 25780 1 138 . 1 1 17 17 U C6 C 13 137.988 0.12 . . . . . A 17 U C6 . 25780 1 139 . 1 1 18 18 U H1' H 1 5.977 0.05 . . . . . A 18 U H1' . 25780 1 140 . 1 1 18 18 U H2' H 1 4.521 0.05 . . . . . A 18 U H2' . 25780 1 141 . 1 1 18 18 U H3' H 1 3.971 0.05 . . . . . A 18 U H3' . 25780 1 142 . 1 1 18 18 U H5 H 1 5.756 0.05 . . . . . A 18 U H5 . 25780 1 143 . 1 1 18 18 U H5' H 1 4.099 0.05 . . . . . A 18 U H5' . 25780 1 144 . 1 1 18 18 U H5'' H 1 4.100 0.05 . . . . . A 18 U H5'' . 25780 1 145 . 1 1 18 18 U H6 H 1 7.900 0.05 . . . . . A 18 U H6 . 25780 1 146 . 1 1 18 18 U C1' C 13 86.530 0.12 . . . . . A 18 U C1' . 25780 1 147 . 1 1 18 18 U C5 C 13 102.861 0.12 . . . . . A 18 U C5 . 25780 1 148 . 1 1 18 18 U C6 C 13 142.000 0.12 . . . . . A 18 U C6 . 25780 1 149 . 1 1 19 19 C H1' H 1 5.834 0.05 . . . . . A 19 C H1' . 25780 1 150 . 1 1 19 19 C H2' H 1 3.970 0.05 . . . . . A 19 C H2' . 25780 1 151 . 1 1 19 19 C H3' H 1 4.350 0.05 . . . . . A 19 C H3' . 25780 1 152 . 1 1 19 19 C H4' H 1 3.662 0.05 . . . . . A 19 C H4' . 25780 1 153 . 1 1 19 19 C H5 H 1 5.988 0.05 . . . . . A 19 C H5 . 25780 1 154 . 1 1 19 19 C H5' H 1 3.477 0.05 . . . . . A 19 C H5' . 25780 1 155 . 1 1 19 19 C H5'' H 1 2.579 0.05 . . . . . A 19 C H5'' . 25780 1 156 . 1 1 19 19 C H6 H 1 7.560 0.05 . . . . . A 19 C H6 . 25780 1 157 . 1 1 19 19 C H41 H 1 7.019 0.05 . . . . . A 19 C H41 . 25780 1 158 . 1 1 19 19 C H42 H 1 6.167 0.05 . . . . . A 19 C H42 . 25780 1 159 . 1 1 19 19 C C1' C 13 86.403 0.12 . . . . . A 19 C C1' . 25780 1 160 . 1 1 19 19 C C5 C 13 96.011 0.12 . . . . . A 19 C C5 . 25780 1 161 . 1 1 20 20 G H1 H 1 9.704 0.05 . . . . . A 20 G H1 . 25780 1 162 . 1 1 20 20 G H1' H 1 5.861 0.05 . . . . . A 20 G H1' . 25780 1 163 . 1 1 20 20 G H2' H 1 4.730 0.05 . . . . . A 20 G H2' . 25780 1 164 . 1 1 20 20 G H3' H 1 5.529 0.05 . . . . . A 20 G H3' . 25780 1 165 . 1 1 20 20 G H4' H 1 4.288 0.05 . . . . . A 20 G H4' . 25780 1 166 . 1 1 20 20 G H5' H 1 4.287 0.05 . . . . . A 20 G H5' . 25780 1 167 . 1 1 20 20 G H5'' H 1 4.058 0.05 . . . . . A 20 G H5'' . 25780 1 168 . 1 1 20 20 G H8 H 1 7.764 0.05 . . . . . A 20 G H8 . 25780 1 169 . 1 1 20 20 G C1' C 13 91.812 0.12 . . . . . A 20 G C1' . 25780 1 170 . 1 1 20 20 G C8 C 13 139.782 0.12 . . . . . A 20 G C8 . 25780 1 171 . 1 1 20 20 G N1 N 15 143.156 0.12 . . . . . A 20 G N1 . 25780 1 172 . 1 1 21 21 G H1 H 1 12.708 0.05 . . . . . A 21 G H1 . 25780 1 173 . 1 1 21 21 G H1' H 1 4.331 0.05 . . . . . A 21 G H1' . 25780 1 174 . 1 1 21 21 G H2' H 1 4.409 0.05 . . . . . A 21 G H2' . 25780 1 175 . 1 1 21 21 G H3' H 1 4.998 0.05 . . . . . A 21 G H3' . 25780 1 176 . 1 1 21 21 G H4' H 1 4.276 0.05 . . . . . A 21 G H4' . 25780 1 177 . 1 1 21 21 G H8 H 1 8.270 0.05 . . . . . A 21 G H8 . 25780 1 178 . 1 1 21 21 G H21 H 1 7.534 0.05 . . . . . A 21 G H21 . 25780 1 179 . 1 1 21 21 G H22 H 1 6.170 0.05 . . . . . A 21 G H22 . 25780 1 180 . 1 1 21 21 G C8 C 13 136.714 0.12 . . . . . A 21 G C8 . 25780 1 181 . 1 1 21 21 G N1 N 15 147.250 0.12 . . . . . A 21 G N1 . 25780 1 182 . 1 1 22 22 A H1' H 1 5.985 0.05 . . . . . A 22 A H1' . 25780 1 183 . 1 1 22 22 A H2 H 1 8.155 0.05 . . . . . A 22 A H2 . 25780 1 184 . 1 1 22 22 A H2' H 1 4.527 0.05 . . . . . A 22 A H2' . 25780 1 185 . 1 1 22 22 A H3' H 1 4.428 0.05 . . . . . A 22 A H3' . 25780 1 186 . 1 1 22 22 A H8 H 1 7.796 0.05 . . . . . A 22 A H8 . 25780 1 187 . 1 1 22 22 A H61 H 1 6.402 0.05 . . . . . A 22 A H61 . 25780 1 188 . 1 1 22 22 A H62 H 1 9.977 0.05 . . . . . A 22 A H62 . 25780 1 189 . 1 1 22 22 A C1' C 13 90.989 0.12 . . . . . A 22 A C1' . 25780 1 190 . 1 1 22 22 A C2 C 13 145.180 0.12 . . . . . A 22 A C2 . 25780 1 191 . 1 1 23 23 U H1' H 1 5.286 0.05 . . . . . A 23 U H1' . 25780 1 192 . 1 1 23 23 U H2' H 1 4.273 0.05 . . . . . A 23 U H2' . 25780 1 193 . 1 1 23 23 U H3 H 1 13.652 0.05 . . . . . A 23 U H3 . 25780 1 194 . 1 1 23 23 U H3' H 1 4.435 0.05 . . . . . A 23 U H3' . 25780 1 195 . 1 1 23 23 U H5 H 1 5.340 0.05 . . . . . A 23 U H5 . 25780 1 196 . 1 1 23 23 U H6 H 1 7.534 0.05 . . . . . A 23 U H6 . 25780 1 197 . 1 1 23 23 U C1' C 13 90.501 0.12 . . . . . A 23 U C1' . 25780 1 198 . 1 1 23 23 U C5 C 13 100.987 0.12 . . . . . A 23 U C5 . 25780 1 199 . 1 1 23 23 U N3 N 15 162.854 0.12 . . . . . A 23 U N3 . 25780 1 200 . 1 1 24 24 A H1' H 1 5.892 0.05 . . . . . A 24 A H1' . 25780 1 201 . 1 1 24 24 A H2 H 1 7.032 0.05 . . . . . A 24 A H2 . 25780 1 202 . 1 1 24 24 A H2' H 1 4.432 0.05 . . . . . A 24 A H2' . 25780 1 203 . 1 1 24 24 A H3' H 1 4.540 0.05 . . . . . A 24 A H3' . 25780 1 204 . 1 1 24 24 A H8 H 1 8.039 0.05 . . . . . A 24 A H8 . 25780 1 205 . 1 1 24 24 A C1' C 13 90.003 0.12 . . . . . A 24 A C1' . 25780 1 206 . 1 1 24 24 A C2 C 13 150.621 0.12 . . . . . A 24 A C2 . 25780 1 207 . 1 1 24 24 A C8 C 13 137.072 0.12 . . . . . A 24 A C8 . 25780 1 208 . 1 1 25 25 C H1' H 1 5.209 0.05 . . . . . A 25 C H1' . 25780 1 209 . 1 1 25 25 C H2' H 1 4.113 0.05 . . . . . A 25 C H2' . 25780 1 210 . 1 1 25 25 C H3' H 1 4.165 0.05 . . . . . A 25 C H3' . 25780 1 211 . 1 1 25 25 C H5 H 1 5.086 0.05 . . . . . A 25 C H5 . 25780 1 212 . 1 1 25 25 C H6 H 1 7.321 0.05 . . . . . A 25 C H6 . 25780 1 213 . 1 1 25 25 C H41 H 1 8.142 0.05 . . . . . A 25 C H41 . 25780 1 214 . 1 1 25 25 C H42 H 1 6.810 0.05 . . . . . A 25 C H42 . 25780 1 215 . 1 1 25 25 C C1' C 13 91.071 0.12 . . . . . A 25 C C1' . 25780 1 216 . 1 1 25 25 C C5 C 13 94.600 0.12 . . . . . A 25 C C5 . 25780 1 217 . 1 1 25 25 C C6 C 13 137.985 0.12 . . . . . A 25 C C6 . 25780 1 218 . 1 1 26 26 U H1' H 1 5.409 0.05 . . . . . A 26 U H1' . 25780 1 219 . 1 1 26 26 U H2' H 1 4.572 0.05 . . . . . A 26 U H2' . 25780 1 220 . 1 1 26 26 U H3 H 1 13.747 0.05 . . . . . A 26 U H3 . 25780 1 221 . 1 1 26 26 U H3' H 1 4.232 0.05 . . . . . A 26 U H3' . 25780 1 222 . 1 1 26 26 U H5 H 1 5.205 0.05 . . . . . A 26 U H5 . 25780 1 223 . 1 1 26 26 U H6 H 1 7.598 0.05 . . . . . A 26 U H6 . 25780 1 224 . 1 1 26 26 U C1' C 13 91.272 0.12 . . . . . A 26 U C1' . 25780 1 225 . 1 1 26 26 U C5 C 13 100.906 0.12 . . . . . A 26 U C5 . 25780 1 226 . 1 1 26 26 U N3 N 15 161.453 0.12 . . . . . A 26 U N3 . 25780 1 227 . 1 1 27 27 U H1' H 1 5.299 0.05 . . . . . A 27 U H1' . 25780 1 228 . 1 1 27 27 U H2' H 1 4.170 0.05 . . . . . A 27 U H2' . 25780 1 229 . 1 1 27 27 U H3 H 1 11.288 0.05 . . . . . A 27 U H3 . 25780 1 230 . 1 1 27 27 U H3' H 1 4.454 0.05 . . . . . A 27 U H3' . 25780 1 231 . 1 1 27 27 U H5 H 1 5.669 0.05 . . . . . A 27 U H5 . 25780 1 232 . 1 1 27 27 U H6 H 1 7.764 0.05 . . . . . A 27 U H6 . 25780 1 233 . 1 1 27 27 U C1' C 13 91.362 0.12 . . . . . A 27 U C1' . 25780 1 234 . 1 1 27 27 U C5 C 13 102.392 0.12 . . . . . A 27 U C5 . 25780 1 235 . 1 1 27 27 U N3 N 15 157.712 0.12 . . . . . A 27 U N3 . 25780 1 236 . 1 1 28 28 A H1' H 1 5.738 0.05 . . . . . A 28 A H1' . 25780 1 237 . 1 1 28 28 A H2 H 1 7.079 0.05 . . . . . A 28 A H2 . 25780 1 238 . 1 1 28 28 A H2' H 1 4.360 0.05 . . . . . A 28 A H2' . 25780 1 239 . 1 1 28 28 A H8 H 1 8.252 0.05 . . . . . A 28 A H8 . 25780 1 240 . 1 1 28 28 A C2 C 13 150.260 0.12 . . . . . A 28 A C2 . 25780 1 241 . 1 1 28 28 A C8 C 13 138.084 0.12 . . . . . A 28 A C8 . 25780 1 242 . 1 1 29 29 U H1' H 1 5.323 0.05 . . . . . A 29 U H1' . 25780 1 243 . 1 1 29 29 U H2' H 1 4.276 0.05 . . . . . A 29 U H2' . 25780 1 244 . 1 1 29 29 U H3 H 1 13.094 0.05 . . . . . A 29 U H3 . 25780 1 245 . 1 1 29 29 U H5 H 1 4.955 0.05 . . . . . A 29 U H5 . 25780 1 246 . 1 1 29 29 U H6 H 1 7.519 0.05 . . . . . A 29 U H6 . 25780 1 247 . 1 1 29 29 U C1' C 13 90.606 0.12 . . . . . A 29 U C1' . 25780 1 248 . 1 1 29 29 U C5 C 13 100.173 0.12 . . . . . A 29 U C5 . 25780 1 249 . 1 1 29 29 U N3 N 15 161.121 0.12 . . . . . A 29 U N3 . 25780 1 250 . 1 1 30 30 A H1' H 1 5.941 0.05 . . . . . A 30 A H1' . 25780 1 251 . 1 1 30 30 A H2 H 1 6.491 0.05 . . . . . A 30 A H2 . 25780 1 252 . 1 1 30 30 A H2' H 1 4.500 0.05 . . . . . A 30 A H2' . 25780 1 253 . 1 1 30 30 A H3' H 1 4.591 0.05 . . . . . A 30 A H3' . 25780 1 254 . 1 1 30 30 A H8 H 1 7.981 0.05 . . . . . A 30 A H8 . 25780 1 255 . 1 1 30 30 A C1' C 13 89.363 0.12 . . . . . A 30 A C1' . 25780 1 256 . 1 1 30 30 A C2 C 13 149.524 0.12 . . . . . A 30 A C2 . 25780 1 257 . 1 1 30 30 A C8 C 13 137.130 0.12 . . . . . A 30 A C8 . 25780 1 258 . 1 1 31 31 G H1 H 1 10.461 0.05 . . . . . A 31 G H1 . 25780 1 259 . 1 1 31 31 G H1' H 1 5.359 0.05 . . . . . A 31 G H1' . 25780 1 260 . 1 1 31 31 G H2' H 1 4.571 0.05 . . . . . A 31 G H2' . 25780 1 261 . 1 1 31 31 G H3' H 1 4.105 0.05 . . . . . A 31 G H3' . 25780 1 262 . 1 1 31 31 G H8 H 1 6.789 0.05 . . . . . A 31 G H8 . 25780 1 263 . 1 1 31 31 G H21 H 1 6.125 0.05 . . . . . A 31 G H21 . 25780 1 264 . 1 1 31 31 G H22 H 1 6.110 0.05 . . . . . A 31 G H22 . 25780 1 265 . 1 1 31 31 G C8 C 13 133.929 0.12 . . . . . A 31 G C8 . 25780 1 266 . 1 1 31 31 G N1 N 15 142.294 0.12 . . . . . A 31 G N1 . 25780 1 267 . 1 1 32 32 A H1' H 1 5.796 0.05 . . . . . A 32 A H1' . 25780 1 268 . 1 1 32 32 A H2 H 1 7.808 0.05 . . . . . A 32 A H2 . 25780 1 269 . 1 1 32 32 A HO2' H 1 4.374 0.05 . . . . . A 32 A HO2' . 25780 1 270 . 1 1 32 32 A H2' H 1 4.344 0.05 . . . . . A 32 A H2' . 25780 1 271 . 1 1 32 32 A H8 H 1 7.607 0.05 . . . . . A 32 A H8 . 25780 1 272 . 1 1 32 32 A C1' C 13 90.597 0.12 . . . . . A 32 A C1' . 25780 1 273 . 1 1 32 32 A C2 C 13 151.311 0.12 . . . . . A 32 A C2 . 25780 1 274 . 1 1 32 32 A C8 C 13 136.726 0.12 . . . . . A 32 A C8 . 25780 1 275 . 1 1 33 33 U H1' H 1 5.416 0.05 . . . . . A 33 U H1' . 25780 1 276 . 1 1 33 33 U H2' H 1 4.282 0.05 . . . . . A 33 U H2' . 25780 1 277 . 1 1 33 33 U H3 H 1 13.921 0.05 . . . . . A 33 U H3 . 25780 1 278 . 1 1 33 33 U H3' H 1 4.313 0.05 . . . . . A 33 U H3' . 25780 1 279 . 1 1 33 33 U H5' H 1 4.851 0.05 . . . . . A 33 U H5 . 25780 1 280 . 1 1 33 33 U H5'' H 1 4.860 0.05 . . . . . A 33 U H5 . 25780 1 281 . 1 1 33 33 U H6 H 1 7.511 0.05 . . . . . A 33 U H6 . 25780 1 282 . 1 1 33 33 U C5 C 13 99.926 0.12 . . . . . A 33 U C5 . 25780 1 283 . 1 1 33 33 U N3 N 15 161.884 0.12 . . . . . A 33 U N3 . 25780 1 284 . 1 1 34 34 U H1' H 1 5.538 0.05 . . . . . A 34 U H1' . 25780 1 285 . 1 1 34 34 U H2' H 1 4.364 0.05 . . . . . A 34 U H2' . 25780 1 286 . 1 1 34 34 U H3 H 1 13.658 0.05 . . . . . A 34 U H3 . 25780 1 287 . 1 1 34 34 U H3' H 1 4.383 0.05 . . . . . A 34 U H3' . 25780 1 288 . 1 1 34 34 U H5 H 1 5.429 0.05 . . . . . A 34 U H5 . 25780 1 289 . 1 1 34 34 U H6 H 1 7.873 0.05 . . . . . A 34 U H6 . 25780 1 290 . 1 1 34 34 U C5 C 13 100.594 0.12 . . . . . A 34 U C5 . 25780 1 291 . 1 1 34 34 U C6 C 13 139.835 0.12 . . . . . A 34 U C6 . 25780 1 292 . 1 1 34 34 U N3 N 15 161.896 0.12 . . . . . A 34 U N3 . 25780 1 293 . 1 1 35 35 C H1' H 1 5.446 0.05 . . . . . A 35 C H1' . 25780 1 294 . 1 1 35 35 C H2' H 1 4.094 0.05 . . . . . A 35 C H2' . 25780 1 295 . 1 1 35 35 C H5 H 1 5.551 0.05 . . . . . A 35 C H5 . 25780 1 296 . 1 1 35 35 C H6 H 1 7.759 0.05 . . . . . A 35 C H6 . 25780 1 297 . 1 1 35 35 C H41 H 1 8.228 0.05 . . . . . A 35 C H41 . 25780 1 298 . 1 1 35 35 C H42 H 1 6.815 0.05 . . . . . A 35 C H42 . 25780 1 299 . 1 1 35 35 C C1' C 13 91.652 0.12 . . . . . A 35 C C1' . 25780 1 300 . 1 1 35 35 C C5 C 13 94.853 0.12 . . . . . A 35 C C5 . 25780 1 301 . 1 1 36 36 C H1' H 1 5.607 0.05 . . . . . A 36 C H1' . 25780 1 302 . 1 1 36 36 C H2' H 1 3.864 0.05 . . . . . A 36 C H2' . 25780 1 303 . 1 1 36 36 C H5 H 1 5.367 0.05 . . . . . A 36 C H5 . 25780 1 304 . 1 1 36 36 C H6 H 1 7.528 0.05 . . . . . A 36 C H6 . 25780 1 305 . 1 1 36 36 C H41 H 1 8.084 0.05 . . . . . A 36 C H41 . 25780 1 306 . 1 1 36 36 C H42 H 1 6.864 0.05 . . . . . A 36 C H42 . 25780 1 307 . 1 1 36 36 C C1' C 13 90.130 0.12 . . . . . A 36 C C1' . 25780 1 308 . 1 1 36 36 C C5 C 13 95.508 0.12 . . . . . A 36 C C5 . 25780 1 stop_ save_