################################### # 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 25785 _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' . . . 25785 1 2 '2D 1H-13C HSQC' . . . 25785 1 5 '2D 1H-1H NOESY' . . . 25785 1 6 '3D 1H-13C NOESY' . . . 25785 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 5.782 0.05 . . . . . A 1 G H1' . 25785 1 2 . 1 1 1 1 G HO2' H 1 4.887 0.05 . . . . . A 1 G HO2' . 25785 1 3 . 1 1 1 1 G H8 H 1 8.064 0.05 . . . . . A 1 G H8 . 25785 1 4 . 1 1 2 2 G H1 H 1 13.300 0.05 . . . . . A 2 G H1 . 25785 1 5 . 1 1 2 2 G H1' H 1 5.885 0.05 . . . . . A 2 G H1' . 25785 1 6 . 1 1 2 2 G H2' H 1 4.482 0.05 . . . . . A 2 G H2' . 25785 1 7 . 1 1 2 2 G H8 H 1 7.520 0.05 . . . . . A 2 G H8 . 25785 1 8 . 1 1 2 2 G C8 C 13 134.009 0.12 . . . . . A 2 G C8 . 25785 1 9 . 1 1 2 2 G N1 N 15 148.855 0.12 . . . . . A 2 G N1 . 25785 1 10 . 1 1 3 3 U H1' H 1 5.626 0.05 . . . . . A 3 U H1' . 25785 1 11 . 1 1 3 3 U H2' H 1 4.632 0.05 . . . . . A 3 U H2' . 25785 1 12 . 1 1 3 3 U H3 H 1 13.826 0.05 . . . . . A 3 U H3 . 25785 1 13 . 1 1 3 3 U H5 H 1 5.107 0.05 . . . . . A 3 U H5 . 25785 1 14 . 1 1 3 3 U H6 H 1 7.642 0.05 . . . . . A 3 U H6 . 25785 1 15 . 1 1 3 3 U N3 N 15 163.194 0.12 . . . . . A 3 U N3 . 25785 1 16 . 1 1 4 4 G H1 H 1 9.909 0.05 . . . . . A 4 G H1 . 25785 1 17 . 1 1 4 4 G H1' H 1 5.666 0.05 . . . . . A 4 G H1' . 25785 1 18 . 1 1 4 4 G H2' H 1 4.712 0.05 . . . . . A 4 G H2' . 25785 1 19 . 1 1 4 4 G H8 H 1 7.618 0.05 . . . . . A 4 G H8 . 25785 1 20 . 1 1 4 4 G C8 C 13 134.297 0.12 . . . . . A 4 G C8 . 25785 1 21 . 1 1 4 4 G N1 N 15 142.616 0.12 . . . . . A 4 G N1 . 25785 1 22 . 1 1 5 5 A H1' H 1 5.796 0.05 . . . . . A 5 A H1' . 25785 1 23 . 1 1 5 5 A H2 H 1 7.495 0.05 . . . . . A 5 A H2 . 25785 1 24 . 1 1 5 5 A H2' H 1 4.647 0.05 . . . . . A 5 A H2' . 25785 1 25 . 1 1 5 5 A H8 H 1 7.561 0.05 . . . . . A 5 A H8 . 25785 1 26 . 1 1 5 5 A C2 C 13 150.235 0.12 . . . . . A 5 A C2 . 25785 1 27 . 1 1 5 5 A C8 C 13 136.154 0.12 . . . . . A 5 A C8 . 25785 1 28 . 1 1 6 6 G H1 H 1 13.295 0.05 . . . . . A 6 G H1 . 25785 1 29 . 1 1 6 6 G H1' H 1 5.508 0.05 . . . . . A 6 G H1' . 25785 1 30 . 1 1 6 6 G H2' H 1 4.407 0.05 . . . . . A 6 G H2' . 25785 1 31 . 1 1 6 6 G H8 H 1 6.966 0.05 . . . . . A 6 G H8 . 25785 1 32 . 1 1 6 6 G C8 C 13 132.878 0.12 . . . . . A 6 G C8 . 25785 1 33 . 1 1 6 6 G N1 N 15 148.827 0.12 . . . . . A 6 G N1 . 25785 1 34 . 1 1 7 7 U H1' H 1 5.486 0.05 . . . . . A 7 U H1' . 25785 1 35 . 1 1 7 7 U H2' H 1 4.654 0.05 . . . . . A 7 U H2' . 25785 1 36 . 1 1 7 7 U H3 H 1 13.411 0.05 . . . . . A 7 U H3 . 25785 1 37 . 1 1 7 7 U H5 H 1 5.000 0.05 . . . . . A 7 U H5 . 25785 1 38 . 1 1 7 7 U H6 H 1 7.601 0.05 . . . . . A 7 U H6 . 25785 1 39 . 1 1 7 7 U N3 N 15 162.548 0.12 . . . . . A 7 U N3 . 25785 1 40 . 1 1 8 8 A H1' H 1 5.879 0.05 . . . . . A 8 A H1' . 25785 1 41 . 1 1 8 8 A H2 H 1 7.046 0.05 . . . . . A 8 A H2 . 25785 1 42 . 1 1 8 8 A H2' H 1 4.650 0.05 . . . . . A 8 A H2' . 25785 1 43 . 1 1 8 8 A H8 H 1 7.946 0.05 . . . . . A 8 A H8 . 25785 1 44 . 1 1 8 8 A C2 C 13 150.017 0.12 . . . . . A 8 A C2 . 25785 1 45 . 1 1 8 8 A C8 C 13 136.413 0.12 . . . . . A 8 A C8 . 25785 1 46 . 1 1 9 9 C H1' H 1 5.237 0.05 . . . . . A 9 C H1' . 25785 1 47 . 1 1 9 9 C H2' H 1 4.170 0.05 . . . . . A 9 C H2' . 25785 1 48 . 1 1 9 9 C H5 H 1 5.393 0.05 . . . . . A 9 C H5 . 25785 1 49 . 1 1 9 9 C H6 H 1 7.527 0.05 . . . . . A 9 C H6 . 25785 1 50 . 1 1 10 10 G H1' H 1 5.531 0.05 . . . . . A 10 G H1' . 25785 1 51 . 1 1 10 10 G H2' H 1 4.491 0.05 . . . . . A 10 G H2' . 25785 1 52 . 1 1 10 10 G H8 H 1 7.612 0.05 . . . . . A 10 G H8 . 25785 1 53 . 1 1 10 10 G C8 C 13 135.355 0.12 . . . . . A 10 G C8 . 25785 1 54 . 1 1 11 11 U H1' H 1 5.432 0.05 . . . . . A 11 U H1' . 25785 1 55 . 1 1 11 11 U H2' H 1 4.139 0.05 . . . . . A 11 U H2' . 25785 1 56 . 1 1 11 11 U H5 H 1 5.257 0.05 . . . . . A 11 U H5 . 25785 1 57 . 1 1 11 11 U H6 H 1 7.462 0.05 . . . . . A 11 U H6 . 25785 1 58 . 1 1 11 11 U C6 C 13 138.729 0.12 . . . . . A 11 U C6 . 25785 1 59 . 1 1 12 12 A H1' H 1 5.922 0.05 . . . . . A 12 A H1' . 25785 1 60 . 1 1 12 12 A H2 H 1 7.245 0.05 . . . . . A 12 A H2 . 25785 1 61 . 1 1 12 12 A H2' H 1 4.687 0.05 . . . . . A 12 A H2' . 25785 1 62 . 1 1 12 12 A H8 H 1 8.074 0.05 . . . . . A 12 A H8 . 25785 1 63 . 1 1 12 12 A C2 C 13 150.356 0.12 . . . . . A 12 A C2 . 25785 1 64 . 1 1 13 13 G H1' H 1 5.689 0.05 . . . . . A 13 G H1' . 25785 1 65 . 1 1 13 13 G H2' H 1 4.606 0.05 . . . . . A 13 G H2' . 25785 1 66 . 1 1 13 13 G H8 H 1 7.758 0.05 . . . . . A 13 G H8 . 25785 1 67 . 1 1 13 13 G C8 C 13 135.506 0.12 . . . . . A 13 G C8 . 25785 1 68 . 1 1 14 14 A H1' H 1 5.869 0.05 . . . . . A 14 A H1' . 25785 1 69 . 1 1 14 14 A H2 H 1 7.489 0.05 . . . . . A 14 A H2 . 25785 1 70 . 1 1 14 14 A H2' H 1 4.731 0.05 . . . . . A 14 A H2' . 25785 1 71 . 1 1 14 14 A H8 H 1 7.808 0.05 . . . . . A 14 A H8 . 25785 1 72 . 1 1 14 14 A C2 C 13 150.287 0.12 . . . . . A 14 A C2 . 25785 1 73 . 1 1 15 15 G H1 H 1 13.253 0.05 . . . . . A 15 G H1 . 25785 1 74 . 1 1 15 15 G H1' H 1 5.608 0.05 . . . . . A 15 G H1' . 25785 1 75 . 1 1 15 15 G H2' H 1 4.460 0.05 . . . . . A 15 G H2' . 25785 1 76 . 1 1 15 15 G H8 H 1 7.176 0.05 . . . . . A 15 G H8 . 25785 1 77 . 1 1 15 15 G C8 C 13 133.349 0.12 . . . . . A 15 G C8 . 25785 1 78 . 1 1 15 15 G N1 N 15 148.750 0.12 . . . . . A 15 G N1 . 25785 1 79 . 1 1 16 16 U H1' H 1 5.514 0.05 . . . . . A 16 U H1' . 25785 1 80 . 1 1 16 16 U H2' H 1 4.572 0.05 . . . . . A 16 U H2' . 25785 1 81 . 1 1 16 16 U H3 H 1 13.489 0.05 . . . . . A 16 U H3 . 25785 1 82 . 1 1 16 16 U H5 H 1 5.059 0.05 . . . . . A 16 U H5 . 25785 1 83 . 1 1 16 16 U H6 H 1 7.670 0.05 . . . . . A 16 U H6 . 25785 1 84 . 1 1 16 16 U N3 N 15 162.640 0.12 . . . . . A 16 U N3 . 25785 1 85 . 1 1 17 17 A H1' H 1 5.959 0.05 . . . . . A 17 A H1' . 25785 1 86 . 1 1 17 17 A H2 H 1 6.994 0.05 . . . . . A 17 A H2 . 25785 1 87 . 1 1 17 17 A H2' H 1 4.423 0.05 . . . . . A 17 A H2' . 25785 1 88 . 1 1 17 17 A H8 H 1 8.111 0.05 . . . . . A 17 A H8 . 25785 1 89 . 1 1 17 17 A C2 C 13 150.032 0.12 . . . . . A 17 A C2 . 25785 1 90 . 1 1 18 18 U H1' H 1 5.379 0.05 . . . . . A 18 U H1' . 25785 1 91 . 1 1 18 18 U H2' H 1 4.313 0.05 . . . . . A 18 U H2' . 25785 1 92 . 1 1 18 18 U H3 H 1 13.199 0.05 . . . . . A 18 U H3 . 25785 1 93 . 1 1 18 18 U H5 H 1 5.022 0.05 . . . . . A 18 U H5 . 25785 1 94 . 1 1 18 18 U H6 H 1 7.615 0.05 . . . . . A 18 U H6 . 25785 1 95 . 1 1 18 18 U N3 N 15 162.297 0.12 . . . . . A 18 U N3 . 25785 1 96 . 1 1 19 19 A H1' H 1 5.951 0.05 . . . . . A 19 A H1' . 25785 1 97 . 1 1 19 19 A H2 H 1 7.098 0.05 . . . . . A 19 A H2 . 25785 1 98 . 1 1 19 19 A H2' H 1 4.488 0.05 . . . . . A 19 A H2' . 25785 1 99 . 1 1 19 19 A H8 H 1 8.070 0.05 . . . . . A 19 A H8 . 25785 1 100 . 1 1 19 19 A C2 C 13 150.203 0.12 . . . . . A 19 A C2 . 25785 1 101 . 1 1 20 20 C H1' H 1 5.268 0.05 . . . . . A 20 C H1' . 25785 1 102 . 1 1 20 20 C H2' H 1 4.251 0.05 . . . . . A 20 C H2' . 25785 1 103 . 1 1 20 20 C H5 H 1 5.107 0.05 . . . . . A 20 C H5 . 25785 1 104 . 1 1 20 20 C H6 H 1 7.226 0.05 . . . . . A 20 C H6 . 25785 1 105 . 1 1 20 20 C H41 H 1 8.438 0.05 . . . . . A 20 C H41 . 25785 1 106 . 1 1 20 20 C H42 H 1 6.927 0.05 . . . . . A 20 C H42 . 25785 1 107 . 1 1 20 20 C C6 C 13 137.134 0.12 . . . . . A 20 C C6 . 25785 1 108 . 1 1 21 21 U H1' H 1 5.573 0.05 . . . . . A 21 U H1' . 25785 1 109 . 1 1 21 21 U HO2' H 1 6.642 0.05 . . . . . A 21 U HO2' . 25785 1 110 . 1 1 21 21 U H2' H 1 3.702 0.05 . . . . . A 21 U H2' . 25785 1 111 . 1 1 21 21 U H3 H 1 11.672 0.05 . . . . . A 21 U H3 . 25785 1 112 . 1 1 21 21 U H4' H 1 4.265 0.05 . . . . . A 21 U H4' . 25785 1 113 . 1 1 21 21 U H5 H 1 5.572 0.05 . . . . . A 21 U H5 . 25785 1 114 . 1 1 21 21 U H6 H 1 7.661 0.05 . . . . . A 21 U H6 . 25785 1 115 . 1 1 21 21 U N3 N 15 160.441 0.12 . . . . . A 21 U N3 . 25785 1 116 . 1 1 22 22 U H1' H 1 6.060 0.05 . . . . . A 22 U H1' . 25785 1 117 . 1 1 22 22 U H2' H 1 4.604 0.05 . . . . . A 22 U H2' . 25785 1 118 . 1 1 22 22 U H3 H 1 11.012 0.05 . . . . . A 22 U H3 . 25785 1 119 . 1 1 22 22 U H3' H 1 3.955 0.05 . . . . . A 22 U H3' . 25785 1 120 . 1 1 22 22 U H5 H 1 6.163 0.05 . . . . . A 22 U H5 . 25785 1 121 . 1 1 22 22 U H6 H 1 7.962 0.05 . . . . . A 22 U H6 . 25785 1 122 . 1 1 22 22 U C6 C 13 141.530 0.12 . . . . . A 22 U C6 . 25785 1 123 . 1 1 22 22 U N3 N 15 158.940 0.12 . . . . . A 22 U N3 . 25785 1 124 . 1 1 23 23 C H1' H 1 5.897 0.05 . . . . . A 23 C H1' . 25785 1 125 . 1 1 23 23 C H2' H 1 4.037 0.05 . . . . . A 23 C H2' . 25785 1 126 . 1 1 23 23 C H4' H 1 3.727 0.05 . . . . . A 23 C H4' . 25785 1 127 . 1 1 23 23 C H5 H 1 5.988 0.05 . . . . . A 23 C H5 . 25785 1 128 . 1 1 23 23 C H5' H 1 3.530 0.05 . . . . . A 23 C H5' . 25785 1 129 . 1 1 23 23 C H5'' H 1 2.607 0.05 . . . . . A 23 C H5'' . 25785 1 130 . 1 1 23 23 C H6 H 1 7.630 0.05 . . . . . A 23 C H6 . 25785 1 131 . 1 1 23 23 C H41 H 1 7.159 0.05 . . . . . A 23 C H41 . 25785 1 132 . 1 1 23 23 C H42 H 1 6.158 0.05 . . . . . A 23 C H42 . 25785 1 133 . 1 1 24 24 G H1 H 1 10.020 0.05 . . . . . A 24 G H1 . 25785 1 134 . 1 1 24 24 G H1' H 1 5.905 0.05 . . . . . A 24 G H1' . 25785 1 135 . 1 1 24 24 G H2' H 1 4.777 0.05 . . . . . A 24 G H2' . 25785 1 136 . 1 1 24 24 G H3' H 1 5.573 0.05 . . . . . A 24 G H3' . 25785 1 137 . 1 1 24 24 G H4' H 1 4.339 0.05 . . . . . A 24 G H4' . 25785 1 138 . 1 1 24 24 G H5' H 1 4.325 0.05 . . . . . A 24 G H5' . 25785 1 139 . 1 1 24 24 G H5'' H 1 4.101 0.05 . . . . . A 24 G H5'' . 25785 1 140 . 1 1 24 24 G H8 H 1 7.798 0.05 . . . . . A 24 G H8 . 25785 1 141 . 1 1 24 24 G H21 H 1 6.114 0.05 . . . . . A 24 G H21 . 25785 1 142 . 1 1 24 24 G N1 N 15 144.029 0.12 . . . . . A 24 G N1 . 25785 1 143 . 1 1 25 25 G H1 H 1 13.344 0.05 . . . . . A 25 G H1 . 25785 1 144 . 1 1 25 25 G H1' H 1 4.399 0.05 . . . . . A 25 G H1' . 25785 1 145 . 1 1 25 25 G H8 H 1 8.267 0.05 . . . . . A 25 G H8 . 25785 1 146 . 1 1 25 25 G H21 H 1 8.614 0.05 . . . . . A 25 G H21 . 25785 1 147 . 1 1 25 25 G C8 C 13 136.026 0.12 . . . . . A 25 G C8 . 25785 1 148 . 1 1 25 25 G N1 N 15 148.683 0.12 . . . . . A 25 G N1 . 25785 1 149 . 1 1 26 26 U H1' H 1 5.484 0.05 . . . . . A 26 U H1' . 25785 1 150 . 1 1 26 26 U H2' H 1 4.588 0.05 . . . . . A 26 U H2' . 25785 1 151 . 1 1 26 26 U H3 H 1 13.489 0.05 . . . . . A 26 U H3 . 25785 1 152 . 1 1 26 26 U H5 H 1 5.124 0.05 . . . . . A 26 U H5 . 25785 1 153 . 1 1 26 26 U H6 H 1 7.746 0.05 . . . . . A 26 U H6 . 25785 1 154 . 1 1 26 26 U C6 C 13 138.661 0.12 . . . . . A 26 U C6 . 25785 1 155 . 1 1 26 26 U N3 N 15 162.640 0.12 . . . . . A 26 U N3 . 25785 1 156 . 1 1 27 27 A H1' H 1 5.960 0.05 . . . . . A 27 A H1' . 25785 1 157 . 1 1 27 27 A H2 H 1 6.973 0.05 . . . . . A 27 A H2 . 25785 1 158 . 1 1 27 27 A H2' H 1 4.427 0.05 . . . . . A 27 A H2' . 25785 1 159 . 1 1 27 27 A H8 H 1 8.115 0.05 . . . . . A 27 A H8 . 25785 1 160 . 1 1 27 27 A C2 C 13 149.958 0.12 . . . . . A 27 A C2 . 25785 1 161 . 1 1 28 28 U H1' H 1 5.341 0.05 . . . . . A 28 U H1' . 25785 1 162 . 1 1 28 28 U H2' H 1 4.330 0.05 . . . . . A 28 U H2' . 25785 1 163 . 1 1 28 28 U H3 H 1 13.201 0.05 . . . . . A 28 U H3 . 25785 1 164 . 1 1 28 28 U H5 H 1 5.027 0.05 . . . . . A 28 U H5 . 25785 1 165 . 1 1 28 28 U H6 H 1 7.560 0.05 . . . . . A 28 U H6 . 25785 1 166 . 1 1 28 28 U C6 C 13 138.046 0.12 . . . . . A 28 U C6 . 25785 1 167 . 1 1 28 28 U N3 N 15 162.296 0.12 . . . . . A 28 U N3 . 25785 1 168 . 1 1 29 29 A H1' H 1 5.912 0.05 . . . . . A 29 A H1' . 25785 1 169 . 1 1 29 29 A H2 H 1 7.065 0.05 . . . . . A 29 A H2 . 25785 1 170 . 1 1 29 29 A H2' H 1 4.475 0.05 . . . . . A 29 A H2' . 25785 1 171 . 1 1 29 29 A H8 H 1 8.039 0.05 . . . . . A 29 A H8 . 25785 1 172 . 1 1 29 29 A C2 C 13 150.203 0.12 . . . . . A 29 A C2 . 25785 1 173 . 1 1 30 30 C H1' H 1 5.286 0.05 . . . . . A 30 C H1' . 25785 1 174 . 1 1 30 30 C H2' H 1 4.168 0.05 . . . . . A 30 C H2' . 25785 1 175 . 1 1 30 30 C H5 H 1 5.140 0.05 . . . . . A 30 C H5 . 25785 1 176 . 1 1 30 30 C H6 H 1 7.369 0.05 . . . . . A 30 C H6 . 25785 1 177 . 1 1 30 30 C H41 H 1 8.243 0.05 . . . . . A 30 C H41 . 25785 1 178 . 1 1 30 30 C H42 H 1 6.908 0.05 . . . . . A 30 C H42 . 25785 1 179 . 1 1 30 30 C C6 C 13 137.567 0.12 . . . . . A 30 C C6 . 25785 1 180 . 1 1 31 31 U H1' H 1 5.538 0.05 . . . . . A 31 U H1' . 25785 1 181 . 1 1 31 31 U H2' H 1 4.416 0.05 . . . . . A 31 U H2' . 25785 1 182 . 1 1 31 31 U H3 H 1 13.841 0.05 . . . . . A 31 U H3 . 25785 1 183 . 1 1 31 31 U H5 H 1 5.276 0.05 . . . . . A 31 U H5 . 25785 1 184 . 1 1 31 31 U H6 H 1 7.669 0.05 . . . . . A 31 U H6 . 25785 1 185 . 1 1 31 31 U N3 N 15 162.413 0.12 . . . . . A 31 U N3 . 25785 1 186 . 1 1 32 32 U H1' H 1 5.429 0.05 . . . . . A 32 U H1' . 25785 1 187 . 1 1 32 32 U H2' H 1 4.341 0.05 . . . . . A 32 U H2' . 25785 1 188 . 1 1 32 32 U H5 H 1 5.628 0.05 . . . . . A 32 U H5 . 25785 1 189 . 1 1 32 32 U H6 H 1 7.824 0.05 . . . . . A 32 U H6 . 25785 1 190 . 1 1 33 33 A H1' H 1 5.798 0.05 . . . . . A 33 A H1' . 25785 1 191 . 1 1 33 33 A H2 H 1 7.244 0.05 . . . . . A 33 A H2 . 25785 1 192 . 1 1 33 33 A H2' H 1 4.472 0.05 . . . . . A 33 A H2' . 25785 1 193 . 1 1 33 33 A H8 H 1 8.047 0.05 . . . . . A 33 A H8 . 25785 1 194 . 1 1 33 33 A C2 C 13 150.359 0.12 . . . . . A 33 A C2 . 25785 1 195 . 1 1 34 34 U H1' H 1 5.456 0.05 . . . . . A 34 U H1' . 25785 1 196 . 1 1 34 34 U H2' H 1 4.316 0.05 . . . . . A 34 U H2' . 25785 1 197 . 1 1 34 34 U H5 H 1 5.364 0.05 . . . . . A 34 U H5 . 25785 1 198 . 1 1 34 34 U H6 H 1 7.519 0.05 . . . . . A 34 U H6 . 25785 1 199 . 1 1 35 35 A H1' H 1 5.896 0.05 . . . . . A 35 A H1' . 25785 1 200 . 1 1 35 35 A H2 H 1 7.885 0.05 . . . . . A 35 A H2 . 25785 1 201 . 1 1 35 35 A H2' H 1 4.618 0.05 . . . . . A 35 A H2' . 25785 1 202 . 1 1 35 35 A H8 H 1 8.335 0.05 . . . . . A 35 A H8 . 25785 1 203 . 1 1 35 35 A C2 C 13 144.568 0.12 . . . . . A 35 A C2 . 25785 1 204 . 1 1 35 35 A C8 C 13 139.905 0.12 . . . . . A 35 A C8 . 25785 1 205 . 1 1 36 36 U H1' H 1 5.263 0.05 . . . . . A 36 U H1' . 25785 1 206 . 1 1 36 36 U H2' H 1 4.329 0.05 . . . . . A 36 U H2' . 25785 1 207 . 1 1 36 36 U H3 H 1 13.556 0.05 . . . . . A 36 U H3 . 25785 1 208 . 1 1 36 36 U H5 H 1 5.321 0.05 . . . . . A 36 U H5 . 25785 1 209 . 1 1 36 36 U H6 H 1 7.586 0.05 . . . . . A 36 U H6 . 25785 1 210 . 1 1 36 36 U C6 C 13 137.946 0.12 . . . . . A 36 U C6 . 25785 1 211 . 1 1 36 36 U N3 N 15 162.873 0.12 . . . . . A 36 U N3 . 25785 1 212 . 1 1 37 37 A H1' H 1 5.956 0.05 . . . . . A 37 A H1' . 25785 1 213 . 1 1 37 37 A H2 H 1 7.117 0.05 . . . . . A 37 A H2 . 25785 1 214 . 1 1 37 37 A H2' H 1 4.508 0.05 . . . . . A 37 A H2' . 25785 1 215 . 1 1 37 37 A H8 H 1 8.083 0.05 . . . . . A 37 A H8 . 25785 1 216 . 1 1 37 37 A C2 C 13 150.329 0.12 . . . . . A 37 A C2 . 25785 1 217 . 1 1 38 38 C H1' H 1 5.309 0.05 . . . . . A 38 C H1' . 25785 1 218 . 1 1 38 38 C H2' H 1 4.181 0.05 . . . . . A 38 C H2' . 25785 1 219 . 1 1 38 38 C H5 H 1 5.171 0.05 . . . . . A 38 C H5 . 25785 1 220 . 1 1 38 38 C H6 H 1 7.391 0.05 . . . . . A 38 C H6 . 25785 1 221 . 1 1 38 38 C H41 H 1 8.268 0.05 . . . . . A 38 C H41 . 25785 1 222 . 1 1 38 38 C H42 H 1 6.918 0.05 . . . . . A 38 C H42 . 25785 1 223 . 1 1 38 38 C C6 C 13 137.651 0.12 . . . . . A 38 C C6 . 25785 1 224 . 1 1 39 39 U H1' H 1 5.484 0.05 . . . . . A 39 U H1' . 25785 1 225 . 1 1 39 39 U H2' H 1 4.632 0.05 . . . . . A 39 U H2' . 25785 1 226 . 1 1 39 39 U H3 H 1 13.825 0.05 . . . . . A 39 U H3 . 25785 1 227 . 1 1 39 39 U H5 H 1 5.275 0.05 . . . . . A 39 U H5 . 25785 1 228 . 1 1 39 39 U H6 H 1 7.676 0.05 . . . . . A 39 U H6 . 25785 1 229 . 1 1 39 39 U N3 N 15 162.413 0.12 . . . . . A 39 U N3 . 25785 1 230 . 1 1 40 40 U H1' H 1 5.461 0.05 . . . . . A 40 U H1' . 25785 1 231 . 1 1 40 40 U H2' H 1 4.257 0.05 . . . . . A 40 U H2' . 25785 1 232 . 1 1 40 40 U H3 H 1 11.526 0.05 . . . . . A 40 U H3 . 25785 1 233 . 1 1 40 40 U H5 H 1 5.757 0.05 . . . . . A 40 U H5 . 25785 1 234 . 1 1 40 40 U H6 H 1 7.872 0.05 . . . . . A 40 U H6 . 25785 1 235 . 1 1 40 40 U C6 C 13 138.200 0.12 . . . . . A 40 U C6 . 25785 1 236 . 1 1 40 40 U N3 N 15 158.730 0.12 . . . . . A 40 U N3 . 25785 1 237 . 1 1 41 41 A H1' H 1 5.840 0.05 . . . . . A 41 A H1' . 25785 1 238 . 1 1 41 41 A H2 H 1 7.371 0.05 . . . . . A 41 A H2 . 25785 1 239 . 1 1 41 41 A H2' H 1 4.552 0.05 . . . . . A 41 A H2' . 25785 1 240 . 1 1 41 41 A H8 H 1 8.358 0.05 . . . . . A 41 A H8 . 25785 1 241 . 1 1 41 41 A C8 C 13 137.728 0.12 . . . . . A 41 A C8 . 25785 1 242 . 1 1 42 42 C H1' H 1 5.366 0.05 . . . . . A 42 C H1' . 25785 1 243 . 1 1 42 42 C H2' H 1 4.103 0.05 . . . . . A 42 C H2' . 25785 1 244 . 1 1 42 42 C H5 H 1 5.150 0.05 . . . . . A 42 C H5 . 25785 1 245 . 1 1 42 42 C H6 H 1 7.459 0.05 . . . . . A 42 C H6 . 25785 1 246 . 1 1 42 42 C H41 H 1 8.430 0.05 . . . . . A 42 C H41 . 25785 1 247 . 1 1 42 42 C H42 H 1 6.956 0.05 . . . . . A 42 C H42 . 25785 1 248 . 1 1 42 42 C C6 C 13 137.804 0.12 . . . . . A 42 C C6 . 25785 1 249 . 1 1 43 43 C H1' H 1 5.706 0.05 . . . . . A 43 C H1' . 25785 1 250 . 1 1 43 43 C H2' H 1 3.960 0.05 . . . . . A 43 C H2' . 25785 1 251 . 1 1 43 43 C H5 H 1 5.422 0.05 . . . . . A 43 C H5 . 25785 1 252 . 1 1 43 43 C H6 H 1 7.604 0.05 . . . . . A 43 C H6 . 25785 1 253 . 1 1 43 43 C H41 H 1 8.303 0.05 . . . . . A 43 C H41 . 25785 1 254 . 1 1 43 43 C H42 H 1 6.970 0.05 . . . . . A 43 C H42 . 25785 1 stop_ save_