################################### # 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 25784 _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-15N HSQC' . . . 25784 1 2 '2D 1H-13C HSQC' . . . 25784 1 4 '2D 1H-1H NOESY' . . . 25784 1 7 '3D 1H-13C NOESY' . . . 25784 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 5.764 0.05 . . . . . A 1 G H1' . 25784 1 2 . 1 1 1 1 G HO2' H 1 4.866 0.05 . . . . . A 1 G HO2' . 25784 1 3 . 1 1 1 1 G H8 H 1 8.097 0.05 . . . . . A 1 G H8 . 25784 1 4 . 1 1 2 2 G H1 H 1 12.296 0.05 . . . . . A 2 G H1 . 25784 1 5 . 1 1 2 2 G H1' H 1 5.841 0.05 . . . . . A 2 G H1' . 25784 1 6 . 1 1 2 2 G H2' H 1 4.625 0.05 . . . . . A 2 G H2' . 25784 1 7 . 1 1 2 2 G H8 H 1 7.488 0.05 . . . . . A 2 G H8 . 25784 1 8 . 1 1 2 2 G N1 N 15 146.704 0.12 . . . . . A 2 G N1 . 25784 1 9 . 1 1 3 3 A H1' H 1 5.886 0.05 . . . . . A 3 A H1' . 25784 1 10 . 1 1 3 3 A H2 H 1 7.170 0.05 . . . . . A 3 A H2 . 25784 1 11 . 1 1 3 3 A H2' H 1 4.605 0.05 . . . . . A 3 A H2' . 25784 1 12 . 1 1 3 3 A H8 H 1 7.698 0.05 . . . . . A 3 A H8 . 25784 1 13 . 1 1 3 3 A C2 C 13 150.278 0.12 . . . . . A 3 A C2 . 25784 1 14 . 1 1 4 4 A H1' H 1 5.817 0.05 . . . . . A 4 A H1' . 25784 1 15 . 1 1 4 4 A H2 H 1 7.731 0.05 . . . . . A 4 A H2 . 25784 1 16 . 1 1 4 4 A H2' H 1 4.456 0.05 . . . . . A 4 A H2' . 25784 1 17 . 1 1 4 4 A H8 H 1 7.617 0.05 . . . . . A 4 A H8 . 25784 1 18 . 1 1 4 4 A C2 C 13 150.914 0.12 . . . . . A 4 A C2 . 25784 1 19 . 1 1 5 5 U H1' H 1 5.352 0.05 . . . . . A 5 U H1' . 25784 1 20 . 1 1 5 5 U H2' H 1 4.482 0.05 . . . . . A 5 U H2' . 25784 1 21 . 1 1 5 5 U H3 H 1 14.040 0.05 . . . . . A 5 U H3 . 25784 1 22 . 1 1 5 5 U H6 H 1 7.303 0.05 . . . . . A 5 U H6 . 25784 1 23 . 1 1 5 5 U N3 N 15 161.556 0.12 . . . . . A 5 U N3 . 25784 1 24 . 1 1 6 6 U H1' H 1 5.428 0.05 . . . . . A 6 U H1' . 25784 1 25 . 1 1 6 6 U H2' H 1 4.087 0.05 . . . . . A 6 U H2' . 25784 1 26 . 1 1 6 6 U H3 H 1 11.640 0.05 . . . . . A 6 U H3 . 25784 1 27 . 1 1 6 6 U H5 H 1 5.619 0.05 . . . . . A 6 U H5 . 25784 1 28 . 1 1 6 6 U H6 H 1 7.808 0.05 . . . . . A 6 U H6 . 25784 1 29 . 1 1 6 6 U N3 N 15 157.959 0.12 . . . . . A 6 U N3 . 25784 1 30 . 1 1 7 7 U H1' H 1 5.414 0.05 . . . . . A 7 U H1' . 25784 1 31 . 1 1 7 7 U H2' H 1 4.447 0.05 . . . . . A 7 U H2' . 25784 1 32 . 1 1 7 7 U H3 H 1 13.292 0.05 . . . . . A 7 U H3 . 25784 1 33 . 1 1 7 7 U H5 H 1 5.549 0.05 . . . . . A 7 U H5 . 25784 1 34 . 1 1 7 7 U H6 H 1 7.952 0.05 . . . . . A 7 U H6 . 25784 1 35 . 1 1 7 7 U N3 N 15 161.553 0.12 . . . . . A 7 U N3 . 25784 1 36 . 1 1 8 8 A H1' H 1 5.912 0.05 . . . . . A 8 A H1' . 25784 1 37 . 1 1 8 8 A H2 H 1 7.002 0.05 . . . . . A 8 A H2 . 25784 1 38 . 1 1 8 8 A H2' H 1 4.311 0.05 . . . . . A 8 A H2' . 25784 1 39 . 1 1 8 8 A H8 H 1 8.101 0.05 . . . . . A 8 A H8 . 25784 1 40 . 1 1 8 8 A C2 C 13 150.525 0.12 . . . . . A 8 A C2 . 25784 1 41 . 1 1 9 9 U H1' H 1 5.445 0.05 . . . . . A 9 U H1' . 25784 1 42 . 1 1 9 9 U H2' H 1 4.365 0.05 . . . . . A 9 U H2' . 25784 1 43 . 1 1 9 9 U H3 H 1 13.181 0.05 . . . . . A 9 U H3 . 25784 1 44 . 1 1 9 9 U H5 H 1 5.097 0.05 . . . . . A 9 U H5 . 25784 1 45 . 1 1 9 9 U H6 H 1 7.475 0.05 . . . . . A 9 U H6 . 25784 1 46 . 1 1 9 9 U C5 C 13 100.360 0.12 . . . . . A 9 U C5 . 25784 1 47 . 1 1 9 9 U N3 N 15 161.856 0.12 . . . . . A 9 U N3 . 25784 1 48 . 1 1 10 10 G H1 H 1 9.780 0.05 . . . . . A 10 G H1 . 25784 1 49 . 1 1 10 10 G H1' H 1 5.603 0.05 . . . . . A 10 G H1' . 25784 1 50 . 1 1 10 10 G H2' H 1 4.608 0.05 . . . . . A 10 G H2' . 25784 1 51 . 1 1 10 10 G H8 H 1 7.485 0.05 . . . . . A 10 G H8 . 25784 1 52 . 1 1 10 10 G H21 H 1 5.922 0.05 . . . . . A 10 G H21 . 25784 1 53 . 1 1 10 10 G N1 N 15 141.451 0.12 . . . . . A 10 G N1 . 25784 1 54 . 1 1 11 11 A H1' H 1 5.758 0.05 . . . . . A 11 A H1' . 25784 1 55 . 1 1 11 11 A H2 H 1 7.438 0.05 . . . . . A 11 A H2 . 25784 1 56 . 1 1 11 11 A H2' H 1 4.584 0.05 . . . . . A 11 A H2' . 25784 1 57 . 1 1 11 11 A H8 H 1 7.518 0.05 . . . . . A 11 A H8 . 25784 1 58 . 1 1 11 11 A C2 C 13 150.544 0.12 . . . . . A 11 A C2 . 25784 1 59 . 1 1 12 12 G H1 H 1 13.150 0.05 . . . . . A 12 G H1 . 25784 1 60 . 1 1 12 12 G H1' H 1 5.512 0.05 . . . . . A 12 G H1' . 25784 1 61 . 1 1 12 12 G H2' H 1 4.364 0.05 . . . . . A 12 G H2' . 25784 1 62 . 1 1 12 12 G H8 H 1 6.989 0.05 . . . . . A 12 G H8 . 25784 1 63 . 1 1 12 12 G C8 C 13 133.218 0.12 . . . . . A 12 G C8 . 25784 1 64 . 1 1 12 12 G N1 N 15 147.719 0.12 . . . . . A 12 G N1 . 25784 1 65 . 1 1 13 13 U H1' H 1 5.453 0.05 . . . . . A 13 U H1' . 25784 1 66 . 1 1 13 13 U H2' H 1 4.604 0.05 . . . . . A 13 U H2' . 25784 1 67 . 1 1 13 13 U H3 H 1 13.357 0.05 . . . . . A 13 U H3 . 25784 1 68 . 1 1 13 13 U H6 H 1 7.634 0.05 . . . . . A 13 U H6 . 25784 1 69 . 1 1 13 13 U N3 N 15 161.528 0.12 . . . . . A 13 U N3 . 25784 1 70 . 1 1 14 14 A H1' H 1 5.858 0.05 . . . . . A 14 A H1' . 25784 1 71 . 1 1 14 14 A H2 H 1 7.022 0.05 . . . . . A 14 A H2 . 25784 1 72 . 1 1 14 14 A H2' H 1 4.582 0.05 . . . . . A 14 A H2' . 25784 1 73 . 1 1 14 14 A H8 H 1 7.940 0.05 . . . . . A 14 A H8 . 25784 1 74 . 1 1 15 15 C H1' H 1 5.205 0.05 . . . . . A 15 C H1' . 25784 1 75 . 1 1 15 15 C H2' H 1 3.969 0.05 . . . . . A 15 C H2' . 25784 1 76 . 1 1 15 15 C H5 H 1 5.380 0.05 . . . . . A 15 C H5 . 25784 1 77 . 1 1 15 15 C H6 H 1 7.537 0.05 . . . . . A 15 C H6 . 25784 1 78 . 1 1 16 16 G H1' H 1 5.506 0.05 . . . . . A 16 G H1' . 25784 1 79 . 1 1 16 16 G H2' H 1 4.462 0.05 . . . . . A 16 G H2' . 25784 1 80 . 1 1 16 16 G H8 H 1 7.587 0.05 . . . . . A 16 G H8 . 25784 1 81 . 1 1 17 17 U H1' H 1 5.396 0.05 . . . . . A 17 U H1' . 25784 1 82 . 1 1 17 17 U H2' H 1 4.108 0.05 . . . . . A 17 U H2' . 25784 1 83 . 1 1 17 17 U H5 H 1 5.280 0.05 . . . . . A 17 U H5 . 25784 1 84 . 1 1 17 17 U H6 H 1 7.418 0.05 . . . . . A 17 U H6 . 25784 1 85 . 1 1 18 18 A H1' H 1 5.940 0.05 . . . . . A 18 A H1' . 25784 1 86 . 1 1 18 18 A H2' H 1 4.633 0.05 . . . . . A 18 A H2' . 25784 1 87 . 1 1 18 18 A H8 H 1 8.069 0.05 . . . . . A 18 A H8 . 25784 1 88 . 1 1 19 19 G H1' H 1 5.687 0.05 . . . . . A 19 G H1' . 25784 1 89 . 1 1 19 19 G H2' H 1 4.560 0.05 . . . . . A 19 G H2' . 25784 1 90 . 1 1 19 19 G H8 H 1 7.762 0.05 . . . . . A 19 G H8 . 25784 1 91 . 1 1 20 20 A H1' H 1 5.843 0.05 . . . . . A 20 A H1' . 25784 1 92 . 1 1 20 20 A H2 H 1 7.461 0.05 . . . . . A 20 A H2 . 25784 1 93 . 1 1 20 20 A H2' H 1 4.680 0.05 . . . . . A 20 A H2' . 25784 1 94 . 1 1 20 20 A H8 H 1 7.807 0.05 . . . . . A 20 A H8 . 25784 1 95 . 1 1 20 20 A C2 C 13 150.544 0.12 . . . . . A 20 A C2 . 25784 1 96 . 1 1 21 21 G H1 H 1 13.135 0.05 . . . . . A 21 G H1 . 25784 1 97 . 1 1 21 21 G H1' H 1 5.602 0.05 . . . . . A 21 G H1' . 25784 1 98 . 1 1 21 21 G H2' H 1 4.404 0.05 . . . . . A 21 G H2' . 25784 1 99 . 1 1 21 21 G H8 H 1 7.158 0.05 . . . . . A 21 G H8 . 25784 1 100 . 1 1 21 21 G N1 N 15 147.688 0.12 . . . . . A 21 G N1 . 25784 1 101 . 1 1 22 22 U H1' H 1 5.479 0.05 . . . . . A 22 U H1' . 25784 1 102 . 1 1 22 22 U H2' H 1 4.536 0.05 . . . . . A 22 U H2' . 25784 1 103 . 1 1 22 22 U H3 H 1 13.402 0.05 . . . . . A 22 U H3 . 25784 1 104 . 1 1 22 22 U H6 H 1 7.643 0.05 . . . . . A 22 U H6 . 25784 1 105 . 1 1 22 22 U N3 N 15 161.544 0.12 . . . . . A 22 U N3 . 25784 1 106 . 1 1 23 23 A H1' H 1 5.934 0.05 . . . . . A 23 A H1' . 25784 1 107 . 1 1 23 23 A H2 H 1 6.932 0.05 . . . . . A 23 A H2 . 25784 1 108 . 1 1 23 23 A H2' H 1 4.389 0.05 . . . . . A 23 A H2' . 25784 1 109 . 1 1 23 23 A H8 H 1 8.071 0.05 . . . . . A 23 A H8 . 25784 1 110 . 1 1 24 24 U H1' H 1 5.328 0.05 . . . . . A 24 U H1' . 25784 1 111 . 1 1 24 24 U H2' H 1 4.291 0.05 . . . . . A 24 U H2' . 25784 1 112 . 1 1 24 24 U H3 H 1 13.108 0.05 . . . . . A 24 U H3 . 25784 1 113 . 1 1 24 24 U H6 H 1 7.570 0.05 . . . . . A 24 U H6 . 25784 1 114 . 1 1 24 24 U N3 N 15 161.222 0.12 . . . . . A 24 U N3 . 25784 1 115 . 1 1 25 25 A H1' H 1 5.846 0.05 . . . . . A 25 A H1' . 25784 1 116 . 1 1 25 25 A H2 H 1 6.558 0.05 . . . . . A 25 A H2 . 25784 1 117 . 1 1 25 25 A H2' H 1 4.481 0.05 . . . . . A 25 A H2' . 25784 1 118 . 1 1 25 25 A H8 H 1 7.935 0.05 . . . . . A 25 A H8 . 25784 1 119 . 1 1 25 25 A H61 H 1 6.552 0.05 . . . . . A 25 A H61 . 25784 1 120 . 1 1 25 25 A H62 H 1 7.637 0.05 . . . . . A 25 A H62 . 25784 1 121 . 1 1 25 25 A C2 C 13 149.686 0.12 . . . . . A 25 A C2 . 25784 1 122 . 1 1 26 26 A H1' H 1 5.695 0.05 . . . . . A 26 A H1' . 25784 1 123 . 1 1 26 26 A H2 H 1 7.762 0.05 . . . . . A 26 A H2 . 25784 1 124 . 1 1 26 26 A H2' H 1 4.265 0.05 . . . . . A 26 A H2' . 25784 1 125 . 1 1 26 26 A H8 H 1 7.504 0.05 . . . . . A 26 A H8 . 25784 1 126 . 1 1 26 26 A C2 C 13 151.194 0.12 . . . . . A 26 A C2 . 25784 1 127 . 1 1 27 27 U H1' H 1 5.305 0.05 . . . . . A 27 U H1' . 25784 1 128 . 1 1 27 27 U H2' H 1 3.970 0.05 . . . . . A 27 U H2' . 25784 1 129 . 1 1 27 27 U H5 H 1 5.125 0.05 . . . . . A 27 U H5 . 25784 1 130 . 1 1 27 27 U H6 H 1 7.260 0.05 . . . . . A 27 U H6 . 25784 1 131 . 1 1 27 27 U C5 C 13 100.936 0.12 . . . . . A 27 U C5 . 25784 1 132 . 1 1 28 28 U H1' H 1 5.266 0.05 . . . . . A 28 U H1' . 25784 1 133 . 1 1 28 28 U H2' H 1 4.501 0.05 . . . . . A 28 U H2' . 25784 1 134 . 1 1 28 28 U H3 H 1 10.068 0.05 . . . . . A 28 U H3 . 25784 1 135 . 1 1 28 28 U H5 H 1 5.586 0.05 . . . . . A 28 U H5 . 25784 1 136 . 1 1 28 28 U H6 H 1 7.796 0.05 . . . . . A 28 U H6 . 25784 1 137 . 1 1 29 29 A H1' H 1 5.962 0.05 . . . . . A 29 A H1' . 25784 1 138 . 1 1 29 29 A H2 H 1 7.605 0.05 . . . . . A 29 A H2 . 25784 1 139 . 1 1 29 29 A H2' H 1 4.702 0.05 . . . . . A 29 A H2' . 25784 1 140 . 1 1 29 29 A H8 H 1 8.079 0.05 . . . . . A 29 A H8 . 25784 1 141 . 1 1 29 29 A C2 C 13 150.247 0.12 . . . . . A 29 A C2 . 25784 1 142 . 1 1 30 30 G H1 H 1 13.200 0.05 . . . . . A 30 G H1 . 25784 1 143 . 1 1 30 30 G H1' H 1 5.630 0.05 . . . . . A 30 G H1' . 25784 1 144 . 1 1 30 30 G H2' H 1 4.412 0.05 . . . . . A 30 G H2' . 25784 1 145 . 1 1 30 30 G H8 H 1 7.141 0.05 . . . . . A 30 G H8 . 25784 1 146 . 1 1 30 30 G H21 H 1 8.574 0.05 . . . . . A 30 G H21 . 25784 1 147 . 1 1 30 30 G N1 N 15 148.000 0.12 . . . . . A 30 G N1 . 25784 1 148 . 1 1 31 31 U H1' H 1 5.572 0.05 . . . . . A 31 U H1' . 25784 1 149 . 1 1 31 31 U H2' H 1 4.550 0.05 . . . . . A 31 U H2' . 25784 1 150 . 1 1 31 31 U H3 H 1 14.342 0.05 . . . . . A 31 U H3 . 25784 1 151 . 1 1 31 31 U H6 H 1 7.796 0.05 . . . . . A 31 U H6 . 25784 1 152 . 1 1 31 31 U N3 N 15 162.606 0.12 . . . . . A 31 U N3 . 25784 1 153 . 1 1 32 32 C H1' H 1 5.511 0.05 . . . . . A 32 C H1' . 25784 1 154 . 1 1 32 32 C H2' H 1 4.425 0.05 . . . . . A 32 C H2' . 25784 1 155 . 1 1 32 32 C H5 H 1 5.665 0.05 . . . . . A 32 C H5 . 25784 1 156 . 1 1 32 32 C H6 H 1 7.688 0.05 . . . . . A 32 C H6 . 25784 1 157 . 1 1 32 32 C H41 H 1 8.413 0.05 . . . . . A 32 C H41 . 25784 1 158 . 1 1 32 32 C C5 C 13 94.806 0.12 . . . . . A 32 C C5 . 25784 1 159 . 1 1 33 33 U H1' H 1 5.403 0.05 . . . . . A 33 U H1' . 25784 1 160 . 1 1 33 33 U H2' H 1 3.692 0.05 . . . . . A 33 U H2' . 25784 1 161 . 1 1 33 33 U H3 H 1 11.553 0.05 . . . . . A 33 U H3 . 25784 1 162 . 1 1 33 33 U H5 H 1 5.765 0.05 . . . . . A 33 U H5 . 25784 1 163 . 1 1 33 33 U H6 H 1 7.731 0.05 . . . . . A 33 U H6 . 25784 1 164 . 1 1 33 33 U C5 C 13 102.271 0.12 . . . . . A 33 U C5 . 25784 1 165 . 1 1 33 33 U N3 N 15 158.524 0.12 . . . . . A 33 U N3 . 25784 1 166 . 1 1 34 34 U H1' H 1 6.052 0.05 . . . . . A 34 U H1' . 25784 1 167 . 1 1 34 34 U H2' H 1 4.601 0.05 . . . . . A 34 U H2' . 25784 1 168 . 1 1 34 34 U H3 H 1 13.714 0.05 . . . . . A 34 U H3 . 25784 1 169 . 1 1 34 34 U H5 H 1 5.854 0.05 . . . . . A 34 U H5 . 25784 1 170 . 1 1 34 34 U H6 H 1 7.990 0.05 . . . . . A 34 U H6 . 25784 1 171 . 1 1 34 34 U C5 C 13 102.799 0.12 . . . . . A 34 U C5 . 25784 1 172 . 1 1 34 34 U C6 C 13 141.968 0.12 . . . . . A 34 U C6 . 25784 1 173 . 1 1 34 34 U N3 N 15 162.817 0.12 . . . . . A 34 U N3 . 25784 1 174 . 1 1 35 35 C H1' H 1 5.885 0.05 . . . . . A 35 C H1' . 25784 1 175 . 1 1 35 35 C H2' H 1 4.030 0.05 . . . . . A 35 C H2' . 25784 1 176 . 1 1 35 35 C H5 H 1 6.124 0.05 . . . . . A 35 C H5 . 25784 1 177 . 1 1 35 35 C H6 H 1 7.622 0.05 . . . . . A 35 C H6 . 25784 1 178 . 1 1 35 35 C H41 H 1 8.227 0.05 . . . . . A 35 C H41 . 25784 1 179 . 1 1 35 35 C C5 C 13 95.986 0.12 . . . . . A 35 C C5 . 25784 1 180 . 1 1 36 36 G H1 H 1 9.713 0.05 . . . . . A 36 G H1 . 25784 1 181 . 1 1 36 36 G H1' H 1 5.908 0.05 . . . . . A 36 G H1' . 25784 1 182 . 1 1 36 36 G H2' H 1 4.788 0.05 . . . . . A 36 G H2' . 25784 1 183 . 1 1 36 36 G H3' H 1 5.581 0.05 . . . . . A 36 G H3' . 25784 1 184 . 1 1 36 36 G H8 H 1 7.847 0.05 . . . . . A 36 G H8 . 25784 1 185 . 1 1 36 36 G N1 N 15 142.949 0.12 . . . . . A 36 G N1 . 25784 1 186 . 1 1 37 37 G H1 H 1 12.574 0.05 . . . . . A 37 G H1 . 25784 1 187 . 1 1 37 37 G H1' H 1 4.382 0.05 . . . . . A 37 G H1' . 25784 1 188 . 1 1 37 37 G H2' H 1 4.460 0.05 . . . . . A 37 G H2' . 25784 1 189 . 1 1 37 37 G H8 H 1 8.251 0.05 . . . . . A 37 G H8 . 25784 1 190 . 1 1 37 37 G N1 N 15 146.831 0.12 . . . . . A 37 G N1 . 25784 1 191 . 1 1 38 38 A H1' H 1 5.948 0.05 . . . . . A 38 A H1' . 25784 1 192 . 1 1 38 38 A H2 H 1 7.820 0.05 . . . . . A 38 A H2 . 25784 1 193 . 1 1 38 38 A H2' H 1 4.524 0.05 . . . . . A 38 A H2' . 25784 1 194 . 1 1 38 38 A H8 H 1 7.795 0.05 . . . . . A 38 A H8 . 25784 1 195 . 1 1 38 38 A C2 C 13 151.222 0.12 . . . . . A 38 A C2 . 25784 1 196 . 1 1 39 39 C H1' H 1 5.350 0.05 . . . . . A 39 C H1' . 25784 1 197 . 1 1 39 39 C H2' H 1 4.264 0.05 . . . . . A 39 C H2' . 25784 1 198 . 1 1 39 39 C H5 H 1 5.198 0.05 . . . . . A 39 C H5 . 25784 1 199 . 1 1 39 39 C H6 H 1 7.294 0.05 . . . . . A 39 C H6 . 25784 1 200 . 1 1 39 39 C C5 C 13 94.886 0.12 . . . . . A 39 C C5 . 25784 1 201 . 1 1 40 40 U H1' H 1 5.545 0.05 . . . . . A 40 U H1' . 25784 1 202 . 1 1 40 40 U H2' H 1 4.454 0.05 . . . . . A 40 U H2' . 25784 1 203 . 1 1 40 40 U H3 H 1 14.140 0.05 . . . . . A 40 U H3 . 25784 1 204 . 1 1 40 40 U H6 H 1 7.615 0.05 . . . . . A 40 U H6 . 25784 1 205 . 1 1 41 41 U H1' H 1 5.199 0.05 . . . . . A 41 U H1' . 25784 1 206 . 1 1 41 41 U H2' H 1 3.977 0.05 . . . . . A 41 U H2' . 25784 1 207 . 1 1 41 41 U H3 H 1 11.204 0.05 . . . . . A 41 U H3 . 25784 1 208 . 1 1 41 41 U H5 H 1 5.735 0.05 . . . . . A 41 U H5 . 25784 1 209 . 1 1 41 41 U H6 H 1 7.688 0.05 . . . . . A 41 U H6 . 25784 1 210 . 1 1 41 41 U C5 C 13 101.957 0.12 . . . . . A 41 U C5 . 25784 1 211 . 1 1 41 41 U N3 N 15 157.960 0.12 . . . . . A 41 U N3 . 25784 1 212 . 1 1 42 42 C H1' H 1 5.377 0.05 . . . . . A 42 C H1' . 25784 1 213 . 1 1 42 42 C H2' H 1 4.158 0.05 . . . . . A 42 C H2' . 25784 1 214 . 1 1 42 42 C H5 H 1 5.602 0.05 . . . . . A 42 C H5 . 25784 1 215 . 1 1 42 42 C H6 H 1 7.673 0.05 . . . . . A 42 C H6 . 25784 1 216 . 1 1 42 42 C C5 C 13 94.336 0.12 . . . . . A 42 C C5 . 25784 1 217 . 1 1 43 43 C H1' H 1 5.636 0.05 . . . . . A 43 C H1' . 25784 1 218 . 1 1 43 43 C H2' H 1 4.220 0.05 . . . . . A 43 C H2' . 25784 1 219 . 1 1 43 43 C H5 H 1 5.702 0.05 . . . . . A 43 C H5 . 25784 1 220 . 1 1 43 43 C H6 H 1 7.787 0.05 . . . . . A 43 C H6 . 25784 1 221 . 1 1 44 44 U H1' H 1 5.627 0.05 . . . . . A 44 U H1' . 25784 1 222 . 1 1 44 44 U H2' H 1 4.468 0.05 . . . . . A 44 U H2' . 25784 1 223 . 1 1 44 44 U H5 H 1 5.749 0.05 . . . . . A 44 U H5 . 25784 1 224 . 1 1 44 44 U H6 H 1 7.780 0.05 . . . . . A 44 U H6 . 25784 1 225 . 1 1 44 44 U C5 C 13 101.863 0.12 . . . . . A 44 U C5 . 25784 1 226 . 1 1 45 45 U H1' H 1 5.632 0.05 . . . . . A 45 U H1' . 25784 1 227 . 1 1 45 45 U H2' H 1 4.557 0.05 . . . . . A 45 U H2' . 25784 1 228 . 1 1 45 45 U H3 H 1 12.847 0.05 . . . . . A 45 U H3 . 25784 1 229 . 1 1 45 45 U H5 H 1 5.734 0.05 . . . . . A 45 U H5 . 25784 1 230 . 1 1 45 45 U H6 H 1 7.947 0.05 . . . . . A 45 U H6 . 25784 1 231 . 1 1 45 45 U C5 C 13 101.217 0.12 . . . . . A 45 U C5 . 25784 1 232 . 1 1 45 45 U N3 N 15 161.811 0.12 . . . . . A 45 U N3 . 25784 1 233 . 1 1 46 46 A H1' H 1 5.935 0.05 . . . . . A 46 A H1' . 25784 1 234 . 1 1 46 46 A H2 H 1 6.930 0.05 . . . . . A 46 A H2 . 25784 1 235 . 1 1 46 46 A H2' H 1 4.375 0.05 . . . . . A 46 A H2' . 25784 1 236 . 1 1 46 46 A H8 H 1 8.183 0.05 . . . . . A 46 A H8 . 25784 1 237 . 1 1 47 47 U H1' H 1 5.329 0.05 . . . . . A 47 U H1' . 25784 1 238 . 1 1 47 47 U H2' H 1 4.283 0.05 . . . . . A 47 U H2' . 25784 1 239 . 1 1 47 47 U H3 H 1 13.126 0.05 . . . . . A 47 U H3 . 25784 1 240 . 1 1 47 47 U H6 H 1 7.538 0.05 . . . . . A 47 U H6 . 25784 1 241 . 1 1 47 47 U N3 N 15 161.191 0.12 . . . . . A 47 U N3 . 25784 1 242 . 1 1 48 48 A H1' H 1 5.900 0.05 . . . . . A 48 A H1' . 25784 1 243 . 1 1 48 48 A H2 H 1 7.052 0.05 . . . . . A 48 A H2 . 25784 1 244 . 1 1 48 48 A H2' H 1 4.429 0.05 . . . . . A 48 A H2' . 25784 1 245 . 1 1 48 48 A H8 H 1 8.023 0.05 . . . . . A 48 A H8 . 25784 1 246 . 1 1 49 49 C H1' H 1 5.261 0.05 . . . . . A 49 C H1' . 25784 1 247 . 1 1 49 49 C H2' H 1 4.132 0.05 . . . . . A 49 C H2' . 25784 1 248 . 1 1 49 49 C H5 H 1 5.297 0.05 . . . . . A 49 C H5 . 25784 1 249 . 1 1 49 49 C H6 H 1 7.356 0.05 . . . . . A 49 C H6 . 25784 1 250 . 1 1 49 49 C C5 C 13 95.040 0.12 . . . . . A 49 C C5 . 25784 1 251 . 1 1 50 50 U H1' H 1 5.503 0.05 . . . . . A 50 U H1' . 25784 1 252 . 1 1 50 50 U H2' H 1 4.390 0.05 . . . . . A 50 U H2' . 25784 1 253 . 1 1 50 50 U H6 H 1 7.667 0.05 . . . . . A 50 U H6 . 25784 1 254 . 1 1 51 51 U H1' H 1 5.381 0.05 . . . . . A 51 U H1' . 25784 1 255 . 1 1 51 51 U H2' H 1 4.349 0.05 . . . . . A 51 U H2' . 25784 1 256 . 1 1 51 51 U H5 H 1 5.638 0.05 . . . . . A 51 U H5 . 25784 1 257 . 1 1 51 51 U H6 H 1 7.785 0.05 . . . . . A 51 U H6 . 25784 1 258 . 1 1 52 52 A H1' H 1 5.780 0.05 . . . . . A 52 A H1' . 25784 1 259 . 1 1 52 52 A H2 H 1 7.195 0.05 . . . . . A 52 A H2 . 25784 1 260 . 1 1 52 52 A H2' H 1 4.441 0.05 . . . . . A 52 A H2' . 25784 1 261 . 1 1 52 52 A H8 H 1 8.046 0.05 . . . . . A 52 A H8 . 25784 1 262 . 1 1 53 53 U H1' H 1 5.436 0.05 . . . . . A 53 U H1' . 25784 1 263 . 1 1 53 53 U H2' H 1 4.274 0.05 . . . . . A 53 U H2' . 25784 1 264 . 1 1 53 53 U H6 H 1 7.483 0.05 . . . . . A 53 U H6 . 25784 1 265 . 1 1 54 54 A H1' H 1 5.852 0.05 . . . . . A 54 A H1' . 25784 1 266 . 1 1 54 54 A H2 H 1 7.892 0.05 . . . . . A 54 A H2 . 25784 1 267 . 1 1 54 54 A H2' H 1 4.568 0.05 . . . . . A 54 A H2' . 25784 1 268 . 1 1 54 54 A H8 H 1 8.305 0.05 . . . . . A 54 A H8 . 25784 1 269 . 1 1 55 55 U H1' H 1 5.247 0.05 . . . . . A 55 U H1' . 25784 1 270 . 1 1 55 55 U H2' H 1 4.273 0.05 . . . . . A 55 U H2' . 25784 1 271 . 1 1 55 55 U H3 H 1 13.670 0.05 . . . . . A 55 U H3 . 25784 1 272 . 1 1 55 55 U H6 H 1 7.571 0.05 . . . . . A 55 U H6 . 25784 1 273 . 1 1 55 55 U N3 N 15 162.842 0.12 . . . . . A 55 U N3 . 25784 1 274 . 1 1 56 56 A H1' H 1 5.934 0.05 . . . . . A 56 A H1' . 25784 1 275 . 1 1 56 56 A H2 H 1 7.098 0.05 . . . . . A 56 A H2 . 25784 1 276 . 1 1 56 56 A H2' H 1 4.464 0.05 . . . . . A 56 A H2' . 25784 1 277 . 1 1 56 56 A H8 H 1 8.079 0.05 . . . . . A 56 A H8 . 25784 1 278 . 1 1 57 57 C H1' H 1 5.276 0.05 . . . . . A 57 C H1' . 25784 1 279 . 1 1 57 57 C H2' H 1 4.139 0.05 . . . . . A 57 C H2' . 25784 1 280 . 1 1 57 57 C H5 H 1 5.126 0.05 . . . . . A 57 C H5 . 25784 1 281 . 1 1 57 57 C H6 H 1 7.385 0.05 . . . . . A 57 C H6 . 25784 1 282 . 1 1 57 57 C C5 C 13 94.548 0.12 . . . . . A 57 C C5 . 25784 1 283 . 1 1 58 58 U H1' H 1 5.496 0.05 . . . . . A 58 U H1' . 25784 1 284 . 1 1 58 58 U H2' H 1 4.610 0.05 . . . . . A 58 U H2' . 25784 1 285 . 1 1 58 58 U H3 H 1 13.800 0.05 . . . . . A 58 U H3 . 25784 1 286 . 1 1 58 58 U H5 H 1 5.223 0.05 . . . . . A 58 U H5 . 25784 1 287 . 1 1 58 58 U H6 H 1 7.652 0.05 . . . . . A 58 U H6 . 25784 1 288 . 1 1 58 58 U N3 N 15 161.411 0.12 . . . . . A 58 U N3 . 25784 1 289 . 1 1 59 59 U H1' H 1 5.351 0.05 . . . . . A 59 U H1' . 25784 1 290 . 1 1 59 59 U H2' H 1 4.201 0.05 . . . . . A 59 U H2' . 25784 1 291 . 1 1 59 59 U H3 H 1 11.303 0.05 . . . . . A 59 U H3 . 25784 1 292 . 1 1 59 59 U H5 H 1 5.719 0.05 . . . . . A 59 U H5 . 25784 1 293 . 1 1 59 59 U H6 H 1 7.824 0.05 . . . . . A 59 U H6 . 25784 1 294 . 1 1 59 59 U N3 N 15 157.648 0.12 . . . . . A 59 U N3 . 25784 1 295 . 1 1 60 60 A H1' H 1 5.790 0.05 . . . . . A 60 A H1' . 25784 1 296 . 1 1 60 60 A H2 H 1 7.126 0.05 . . . . . A 60 A H2 . 25784 1 297 . 1 1 60 60 A H2' H 1 4.388 0.05 . . . . . A 60 A H2' . 25784 1 298 . 1 1 60 60 A H8 H 1 8.291 0.05 . . . . . A 60 A H8 . 25784 1 299 . 1 1 60 60 A C2 C 13 150.278 0.12 . . . . . A 60 A C2 . 25784 1 300 . 1 1 61 61 U H1' H 1 5.374 0.05 . . . . . A 61 U H1' . 25784 1 301 . 1 1 61 61 U H2' H 1 4.286 0.05 . . . . . A 61 U H2' . 25784 1 302 . 1 1 61 61 U H3 H 1 13.111 0.05 . . . . . A 61 U H3 . 25784 1 303 . 1 1 61 61 U H6 H 1 7.575 0.05 . . . . . A 61 U H6 . 25784 1 304 . 1 1 61 61 U N3 N 15 161.056 0.12 . . . . . A 61 U N3 . 25784 1 305 . 1 1 62 62 A H1' H 1 5.993 0.05 . . . . . A 62 A H1' . 25784 1 306 . 1 1 62 62 A H2 H 1 6.540 0.05 . . . . . A 62 A H2 . 25784 1 307 . 1 1 62 62 A H2' H 1 4.536 0.05 . . . . . A 62 A H2' . 25784 1 308 . 1 1 62 62 A H8 H 1 8.022 0.05 . . . . . A 62 A H8 . 25784 1 309 . 1 1 62 62 A C2 C 13 149.512 0.12 . . . . . A 62 A C2 . 25784 1 310 . 1 1 63 63 G H1 H 1 10.493 0.05 . . . . . A 63 G H1 . 25784 1 311 . 1 1 63 63 G H1' H 1 5.429 0.05 . . . . . A 63 G H1' . 25784 1 312 . 1 1 63 63 G H2' H 1 4.603 0.05 . . . . . A 63 G H2' . 25784 1 313 . 1 1 63 63 G H8 H 1 6.845 0.05 . . . . . A 63 G H8 . 25784 1 314 . 1 1 63 63 G H21 H 1 6.178 0.05 . . . . . A 63 G H21 . 25784 1 315 . 1 1 63 63 G C8 C 13 133.893 0.12 . . . . . A 63 G C8 . 25784 1 316 . 1 1 63 63 G N1 N 15 142.197 0.12 . . . . . A 63 G N1 . 25784 1 317 . 1 1 64 64 A H1' H 1 5.848 0.05 . . . . . A 64 A H1' . 25784 1 318 . 1 1 64 64 A H2 H 1 7.860 0.05 . . . . . A 64 A H2 . 25784 1 319 . 1 1 64 64 A H2' H 1 4.405 0.05 . . . . . A 64 A H2' . 25784 1 320 . 1 1 64 64 A H8 H 1 7.643 0.05 . . . . . A 64 A H8 . 25784 1 321 . 1 1 64 64 A C2 C 13 151.315 0.12 . . . . . A 64 A C2 . 25784 1 322 . 1 1 65 65 U H1' H 1 5.479 0.05 . . . . . A 65 U H1' . 25784 1 323 . 1 1 65 65 U H2' H 1 4.310 0.05 . . . . . A 65 U H2' . 25784 1 324 . 1 1 65 65 U H3 H 1 13.998 0.05 . . . . . A 65 U H3 . 25784 1 325 . 1 1 65 65 U H6 H 1 7.576 0.05 . . . . . A 65 U H6 . 25784 1 326 . 1 1 65 65 U N3 N 15 161.856 0.12 . . . . . A 65 U N3 . 25784 1 327 . 1 1 66 66 U H1' H 1 5.603 0.05 . . . . . A 66 U H1' . 25784 1 328 . 1 1 66 66 U H2' H 1 4.403 0.05 . . . . . A 66 U H2' . 25784 1 329 . 1 1 66 66 U H3 H 1 13.714 0.05 . . . . . A 66 U H3 . 25784 1 330 . 1 1 66 66 U H5 H 1 5.481 0.05 . . . . . A 66 U H5 . 25784 1 331 . 1 1 66 66 U H6 H 1 7.925 0.05 . . . . . A 66 U H6 . 25784 1 332 . 1 1 66 66 U C5 C 13 100.532 0.12 . . . . . A 66 U C5 . 25784 1 333 . 1 1 67 67 C H1' H 1 5.496 0.05 . . . . . A 67 C H1' . 25784 1 334 . 1 1 67 67 C H2' H 1 4.131 0.05 . . . . . A 67 C H2' . 25784 1 335 . 1 1 67 67 C H5 H 1 5.624 0.05 . . . . . A 67 C H5 . 25784 1 336 . 1 1 67 67 C H6 H 1 7.819 0.05 . . . . . A 67 C H6 . 25784 1 337 . 1 1 67 67 C H41 H 1 8.217 0.05 . . . . . A 67 C H41 . 25784 1 338 . 1 1 67 67 C H42 H 1 6.857 0.05 . . . . . A 67 C H42 . 25784 1 339 . 1 1 67 67 C C5 C 13 95.223 0.12 . . . . . A 67 C C5 . 25784 1 340 . 1 1 68 68 C H1' H 1 5.654 0.05 . . . . . A 68 C H1' . 25784 1 341 . 1 1 68 68 C H2' H 1 4.018 0.05 . . . . . A 68 C H2' . 25784 1 342 . 1 1 68 68 C H5 H 1 5.460 0.05 . . . . . A 68 C H5 . 25784 1 343 . 1 1 68 68 C H6 H 1 7.586 0.05 . . . . . A 68 C H6 . 25784 1 344 . 1 1 68 68 C C5 C 13 95.464 0.12 . . . . . A 68 C C5 . 25784 1 stop_ save_