################################### # 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 31165 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chem_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' . . . 31165 1 2 '2D 1H-1H NOESY' . . . 31165 1 3 '2D 1H-1H TOCSY' . . . 31165 1 4 '2D 1H-15N HSQC' . . . 31165 1 5 '2D 1H-13C HSQC' . . . 31165 1 6 '3D 1H-13C NOESY' . . . 31165 1 7 '2D 1H-1H NOESY' . . . 31165 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 12.672 0 . 1 . . . . A 1 G H1 . 31165 1 2 . 1 . 1 1 1 G H1' H 1 5.759 0.03 . 1 . . . . A 1 G H1' . 31165 1 3 . 1 . 1 1 1 G H2' H 1 4.79 0.03 . 1 . . . . A 1 G H2' . 31165 1 4 . 1 . 1 1 1 G H8 H 1 8.106 0 . 1 . . . . A 1 G H8 . 31165 1 5 . 1 . 1 1 1 G C1' C 13 90.388 0 . 1 . . . . A 1 G C1' . 31165 1 6 . 1 . 1 1 1 G C8 C 13 137.805 0 . 1 . . . . A 1 G C8 . 31165 1 7 . 1 . 1 2 2 G H1' H 1 5.953 0.06 . 1 . . . . A 2 G H1' . 31165 1 8 . 1 . 1 2 2 G H2' H 1 4.906 0.03 . 1 . . . . A 2 G H2' . 31165 1 9 . 1 . 1 2 2 G H3' H 1 4.821 0.01 . 1 . . . . A 2 G H3' . 31165 1 10 . 1 . 1 2 2 G H8 H 1 7.807 0.08 . 1 . . . . A 2 G H8 . 31165 1 11 . 1 . 1 2 2 G C1' C 13 94.115 0 . 1 . . . . A 2 G C1' . 31165 1 12 . 1 . 1 2 2 G C2' C 13 76.105 0 . 1 . . . . A 2 G C2' . 31165 1 13 . 1 . 1 2 2 G C3' C 13 76.322 0 . 1 . . . . A 2 G C3' . 31165 1 14 . 1 . 1 3 3 A H1' H 1 5.999 0.07 . 1 . . . . A 3 A H1' . 31165 1 15 . 1 . 1 3 3 A H2 H 1 7.587 0 . 1 . . . . A 3 A H2 . 31165 1 16 . 1 . 1 3 3 A H2' H 1 4.619 0.1 . 1 . . . . A 3 A H2' . 31165 1 17 . 1 . 1 3 3 A H3' H 1 4.648 0 . 1 . . . . A 3 A H3' . 31165 1 18 . 1 . 1 3 3 A H4' H 1 4.36 0.01 . 1 . . . . A 3 A H4' . 31165 1 19 . 1 . 1 3 3 A H5' H 1 4.332 0.01 . 1 . . . . A 3 A H5' . 31165 1 20 . 1 . 1 3 3 A H5'' H 1 4.258 0.01 . 1 . . . . A 3 A H5'' . 31165 1 21 . 1 . 1 3 3 A H8 H 1 8.108 0.11 . 1 . . . . A 3 A H8 . 31165 1 22 . 1 . 1 3 3 A C1' C 13 92.606 0 . 1 . . . . A 3 A C1' . 31165 1 23 . 1 . 1 3 3 A C2 C 13 151.44 0 . 1 . . . . A 3 A C2 . 31165 1 24 . 1 . 1 3 3 A C3' C 13 74.651 0 . 1 . . . . A 3 A C3' . 31165 1 25 . 1 . 1 3 3 A C4' C 13 83.659 0 . 1 . . . . A 3 A C4' . 31165 1 26 . 1 . 1 3 3 A C5' C 13 68.276 0 . 1 . . . . A 3 A C5' . 31165 1 27 . 1 . 1 3 3 A C8 C 13 138 0 . 1 . . . . A 3 A C8 . 31165 1 28 . 1 . 1 4 4 U H1' H 1 5.479 0.1 . 1 . . . . A 4 U H1' . 31165 1 29 . 1 . 1 4 4 U H2' H 1 4.37 0.09 . 1 . . . . A 4 U H2' . 31165 1 30 . 1 . 1 4 4 U H3 H 1 13.887 0.09 . 1 . . . . A 4 U H3 . 31165 1 31 . 1 . 1 4 4 U H5 H 1 5.316 0.21 . 1 . . . . A 4 U H5 . 31165 1 32 . 1 . 1 4 4 U H6 H 1 7.645 0.09 . 1 . . . . A 4 U H6 . 31165 1 33 . 1 . 1 4 4 U C1' C 13 95.123 0 . 1 . . . . A 4 U C1' . 31165 1 34 . 1 . 1 4 4 U C5 C 13 105.632 0 . 1 . . . . A 4 U C5 . 31165 1 35 . 1 . 1 4 4 U C6 C 13 139.132 0 . 1 . . . . A 4 U C6 . 31165 1 36 . 1 . 1 4 4 U N3 N 15 164.835 0 . 1 . . . . A 4 U N3 . 31165 1 37 . 1 . 1 5 5 C H1' H 1 5.546 0.08 . 1 . . . . A 5 C H1' . 31165 1 38 . 1 . 1 5 5 C H2' H 1 4.525 0.09 . 1 . . . . A 5 C H2' . 31165 1 39 . 1 . 1 5 5 C H5 H 1 5.527 0 . 1 . . . . A 5 C H5 . 31165 1 40 . 1 . 1 5 5 C H6 H 1 7.731 0.03 . 1 . . . . A 5 C H6 . 31165 1 41 . 1 . 1 5 5 C H41 H 1 8.046 0.02 . 1 . . . . A 5 C H41 . 31165 1 42 . 1 . 1 5 5 C H42 H 1 6.722 0.01 . 1 . . . . A 5 C H42 . 31165 1 43 . 1 . 1 5 5 C C1' C 13 93.526 0 . 1 . . . . A 5 C C1' . 31165 1 44 . 1 . 1 5 5 C C5 C 13 98.601 0 . 1 . . . . A 5 C C5 . 31165 1 45 . 1 . 1 5 5 C N4 N 15 98.272 0.01 . 1 . . . . A 5 C N4 . 31165 1 46 . 1 . 1 6 6 U H1' H 1 5.493 0.21 . 1 . . . . A 6 U H1' . 31165 1 47 . 1 . 1 6 6 U H2' H 1 4.228 0.1 . 1 . . . . A 6 U H2' . 31165 1 48 . 1 . 1 6 6 U H3 H 1 11.576 0.06 . 1 . . . . A 6 U H3 . 31165 1 49 . 1 . 1 6 6 U H5 H 1 5.605 0.12 . 1 . . . . A 6 U H5 . 31165 1 50 . 1 . 1 6 6 U H6 H 1 7.768 0.1 . 1 . . . . A 6 U H6 . 31165 1 51 . 1 . 1 6 6 U C1' C 13 95.285 0 . 1 . . . . A 6 U C1' . 31165 1 52 . 1 . 1 6 6 U C2' C 13 76.475 0 . 1 . . . . A 6 U C2' . 31165 1 53 . 1 . 1 6 6 U C5 C 13 105.632 0 . 1 . . . . A 6 U C5 . 31165 1 54 . 1 . 1 6 6 U C6 C 13 138.7 0 . 1 . . . . A 6 U C6 . 31165 1 55 . 1 . 1 6 6 U N3 N 15 160.053 0 . 1 . . . . A 6 U N3 . 31165 1 56 . 1 . 1 7 7 U H1' H 1 5.546 0.12 . 1 . . . . A 7 U H1' . 31165 1 57 . 1 . 1 7 7 U H2' H 1 4.308 0.1 . 1 . . . . A 7 U H2' . 31165 1 58 . 1 . 1 7 7 U H3 H 1 13.806 0 . 1 . . . . A 7 U H3 . 31165 1 59 . 1 . 1 7 7 U H5 H 1 5.634 0.03 . 1 . . . . A 7 U H5 . 31165 1 60 . 1 . 1 7 7 U H6 H 1 7.902 0.1 . 1 . . . . A 7 U H6 . 31165 1 61 . 1 . 1 7 7 U C1' C 13 92.32 0 . 1 . . . . A 7 U C1' . 31165 1 62 . 1 . 1 7 7 U C5 C 13 104.761 0 . 1 . . . . A 7 U C5 . 31165 1 63 . 1 . 1 7 7 U C6 C 13 140.258 0 . 1 . . . . A 7 U C6 . 31165 1 64 . 1 . 1 8 8 C H1' H 1 5.408 0.09 . 1 . . . . A 8 C H1' . 31165 1 65 . 1 . 1 8 8 C H2' H 1 4.188 0.1 . 1 . . . . A 8 C H2' . 31165 1 66 . 1 . 1 8 8 C H5 H 1 5.849 0.04 . 1 . . . . A 8 C H5 . 31165 1 67 . 1 . 1 8 8 C H6 H 1 7.777 0.08 . 1 . . . . A 8 C H6 . 31165 1 68 . 1 . 1 8 8 C C1' C 13 94.016 0 . 1 . . . . A 8 C C1' . 31165 1 69 . 1 . 1 8 8 C C2' C 13 76.577 0 . 1 . . . . A 8 C C2' . 31165 1 70 . 1 . 1 8 8 C C5 C 13 99.455 0 . 1 . . . . A 8 C C5 . 31165 1 71 . 1 . 1 9 9 U H1' H 1 5.664 0.11 . 1 . . . . A 9 U H1' . 31165 1 72 . 1 . 1 9 9 U H2' H 1 4.623 0.1 . 1 . . . . A 9 U H2' . 31165 1 73 . 1 . 1 9 9 U H3 H 1 13.963 0.11 . 1 . . . . A 9 U H3 . 31165 1 74 . 1 . 1 9 9 U H5 H 1 5.647 0.03 . 1 . . . . A 9 U H5 . 31165 1 75 . 1 . 1 9 9 U H6 H 1 7.847 0.09 . 1 . . . . A 9 U H6 . 31165 1 76 . 1 . 1 9 9 U C5 C 13 104.744 0 . 1 . . . . A 9 U C5 . 31165 1 77 . 1 . 1 9 9 U C6 C 13 140.35 0 . 1 . . . . A 9 U C6 . 31165 1 78 . 1 . 1 9 9 U N3 N 15 165.267 0 . 1 . . . . A 9 U N3 . 31165 1 79 . 1 . 1 10 10 G H1 H 1 12.034 0.06 . 1 . . . . A 10 G H1 . 31165 1 80 . 1 . 1 10 10 G H1' H 1 5.743 0.09 . 1 . . . . A 10 G H1' . 31165 1 81 . 1 . 1 10 10 G H2' H 1 4.756 0.1 . 1 . . . . A 10 G H2' . 31165 1 82 . 1 . 1 10 10 G H8 H 1 7.759 0.1 . 1 . . . . A 10 G H8 . 31165 1 83 . 1 . 1 10 10 G H21 H 1 7.746 0 . 1 . . . . A 10 G H21 . 31165 1 84 . 1 . 1 10 10 G H22 H 1 6.11 0.01 . 1 . . . . A 10 G H22 . 31165 1 85 . 1 . 1 10 10 G N1 N 15 149.375 0 . 1 . . . . A 10 G N1 . 31165 1 86 . 1 . 1 10 10 G N2 N 15 72.773 0 . 1 . . . . A 10 G N2 . 31165 1 87 . 1 . 1 11 11 C H1' H 1 5.511 0.11 . 1 . . . . A 11 C H1' . 31165 1 88 . 1 . 1 11 11 C H2' H 1 4.109 0.1 . 1 . . . . A 11 C H2' . 31165 1 89 . 1 . 1 11 11 C H5 H 1 5.488 0.09 . 1 . . . . A 11 C H5 . 31165 1 90 . 1 . 1 11 11 C H6 H 1 7.866 0.09 . 1 . . . . A 11 C H6 . 31165 1 91 . 1 . 1 11 11 C C5 C 13 98.384 0 . 1 . . . . A 11 C C5 . 31165 1 92 . 1 . 1 12 12 U H1' H 1 5.634 0.11 . 1 . . . . A 12 U H1' . 31165 1 93 . 1 . 1 12 12 U H2' H 1 4.372 0.09 . 1 . . . . A 12 U H2' . 31165 1 94 . 1 . 1 12 12 U H3 H 1 14.046 0.05 . 1 . . . . A 12 U H3 . 31165 1 95 . 1 . 1 12 12 U H5 H 1 5.433 0.1 . 1 . . . . A 12 U H5 . 31165 1 96 . 1 . 1 12 12 U H6 H 1 7.827 0.09 . 1 . . . . A 12 U H6 . 31165 1 97 . 1 . 1 12 12 U C1' C 13 93.85 0 . 1 . . . . A 12 U C1' . 31165 1 98 . 1 . 1 12 12 U C5 C 13 104.996 0 . 1 . . . . A 12 U C5 . 31165 1 99 . 1 . 1 12 12 U N3 N 15 164.763 0 . 1 . . . . A 12 U N3 . 31165 1 100 . 1 . 1 13 13 C H1' H 1 5.513 0.09 . 1 . . . . A 13 C H1' . 31165 1 101 . 1 . 1 13 13 C H2' H 1 4.244 0.1 . 1 . . . . A 13 C H2' . 31165 1 102 . 1 . 1 13 13 C H5 H 1 5.51 0.12 . 1 . . . . A 13 C H5 . 31165 1 103 . 1 . 1 13 13 C H6 H 1 7.768 0.09 . 1 . . . . A 13 C H6 . 31165 1 104 . 1 . 1 13 13 C H41 H 1 8.148 0.07 . 1 . . . . A 13 C H41 . 31165 1 105 . 1 . 1 13 13 C H42 H 1 6.747 0.07 . 1 . . . . A 13 C H42 . 31165 1 106 . 1 . 1 13 13 C C1' C 13 94.615 0 . 1 . . . . A 13 C C1' . 31165 1 107 . 1 . 1 13 13 C C5 C 13 98.534 0 . 1 . . . . A 13 C C5 . 31165 1 108 . 1 . 1 13 13 C N4 N 15 97.721 0.02 . 1 . . . . A 13 C N4 . 31165 1 109 . 1 . 1 14 14 U H1' H 1 5.646 0.1 . 1 . . . . A 14 U H1' . 31165 1 110 . 1 . 1 14 14 U H2' H 1 4.251 0.09 . 1 . . . . A 14 U H2' . 31165 1 111 . 1 . 1 14 14 U H3 H 1 14.106 0 . 1 . . . . A 14 U H3 . 31165 1 112 . 1 . 1 14 14 U H5 H 1 5.418 0.1 . 1 . . . . A 14 U H5 . 31165 1 113 . 1 . 1 14 14 U H6 H 1 7.734 0.08 . 1 . . . . A 14 U H6 . 31165 1 114 . 1 . 1 14 14 U C5 C 13 104.878 0 . 1 . . . . A 14 U C5 . 31165 1 115 . 1 . 1 14 14 U N3 N 15 164.871 0 . 1 . . . . A 14 U N3 . 31165 1 116 . 1 . 1 15 15 G H1 H 1 12.575 0.07 . 1 . . . . A 15 G H1 . 31165 1 117 . 1 . 1 15 15 G H1' H 1 5.554 0.1 . 1 . . . . A 15 G H1' . 31165 1 118 . 1 . 1 15 15 G H2' H 1 4.509 0.09 . 1 . . . . A 15 G H2' . 31165 1 119 . 1 . 1 15 15 G H3' H 1 4.469 0 . 1 . . . . A 15 G H3' . 31165 1 120 . 1 . 1 15 15 G H4' H 1 4.208 0.01 . 1 . . . . A 15 G H4' . 31165 1 121 . 1 . 1 15 15 G H8 H 1 7.853 0.09 . 1 . . . . A 15 G H8 . 31165 1 122 . 1 . 1 15 15 G C1' C 13 93.24 0 . 1 . . . . A 15 G C1' . 31165 1 123 . 1 . 1 15 15 G C4' C 13 85.242 0 . 1 . . . . A 15 G C4' . 31165 1 124 . 1 . 1 15 15 G N1 N 15 149.95 0 . 1 . . . . A 15 G N1 . 31165 1 125 . 1 . 1 16 16 C H1' H 1 5.381 0.11 . 1 . . . . A 16 C H1' . 31165 1 126 . 1 . 1 16 16 C H2' H 1 4.446 0.1 . 1 . . . . A 16 C H2' . 31165 1 127 . 1 . 1 16 16 C H3' H 1 4.486 0 . 1 . . . . A 16 C H3' . 31165 1 128 . 1 . 1 16 16 C H5 H 1 5.213 0.12 . 1 . . . . A 16 C H5 . 31165 1 129 . 1 . 1 16 16 C H6 H 1 7.655 0.1 . 1 . . . . A 16 C H6 . 31165 1 130 . 1 . 1 16 16 C H41 H 1 8.183 0.01 . 1 . . . . A 16 C H41 . 31165 1 131 . 1 . 1 16 16 C H42 H 1 6.559 0.01 . 1 . . . . A 16 C H42 . 31165 1 132 . 1 . 1 16 16 C C1' C 13 94.61 0 . 1 . . . . A 16 C C1' . 31165 1 133 . 1 . 1 16 16 C C5 C 13 98.083 0 . 1 . . . . A 16 C C5 . 31165 1 134 . 1 . 1 16 16 C N4 N 15 97.688 0.02 . 1 . . . . A 16 C N4 . 31165 1 135 . 1 . 1 17 17 A H1' H 1 5.87 0.1 . 1 . . . . A 17 A H1' . 31165 1 136 . 1 . 1 17 17 A H2 H 1 7.218 0.11 . 1 . . . . A 17 A H2 . 31165 1 137 . 1 . 1 17 17 A H2' H 1 4.463 0.1 . 1 . . . . A 17 A H2' . 31165 1 138 . 1 . 1 17 17 A H3' H 1 4.519 0.01 . 1 . . . . A 17 A H3' . 31165 1 139 . 1 . 1 17 17 A H4' H 1 4.669 0 . 1 . . . . A 17 A H4' . 31165 1 140 . 1 . 1 17 17 A H5' H 1 4.611 0 . 1 . . . . A 17 A H5' . 31165 1 141 . 1 . 1 17 17 A H5'' H 1 4.194 0 . 1 . . . . A 17 A H5'' . 31165 1 142 . 1 . 1 17 17 A H8 H 1 7.985 0.08 . 1 . . . . A 17 A H8 . 31165 1 143 . 1 . 1 17 17 A H61 H 1 7.578 0.01 . 1 . . . . A 17 A H61 . 31165 1 144 . 1 . 1 17 17 A H62 H 1 6.091 0 . 1 . . . . A 17 A H62 . 31165 1 145 . 1 . 1 17 17 A C1' C 13 91.552 0 . 1 . . . . A 17 A C1' . 31165 1 146 . 1 . 1 17 17 A C2 C 13 150.511 0 . 1 . . . . A 17 A C2 . 31165 1 147 . 1 . 1 17 17 A C3' C 13 74.817 0 . 1 . . . . A 17 A C3' . 31165 1 148 . 1 . 1 17 17 A C4' C 13 84.323 0 . 1 . . . . A 17 A C4' . 31165 1 149 . 1 . 1 17 17 A C8 C 13 136.762 0 . 1 . . . . A 17 A C8 . 31165 1 150 . 1 . 1 18 18 C H1' H 1 5.317 0.11 . 1 . . . . A 18 C H1' . 31165 1 151 . 1 . 1 18 18 C H2' H 1 4.086 0.12 . 1 . . . . A 18 C H2' . 31165 1 152 . 1 . 1 18 18 C H3' H 1 4.59 0 . 1 . . . . A 18 C H3' . 31165 1 153 . 1 . 1 18 18 C H4' H 1 4.513 0.14 . 1 . . . . A 18 C H4' . 31165 1 154 . 1 . 1 18 18 C H5 H 1 5.13 0.1 . 1 . . . . A 18 C H5 . 31165 1 155 . 1 . 1 18 18 C H5' H 1 4.157 0 . 1 . . . . A 18 C H5' . 31165 1 156 . 1 . 1 18 18 C H5'' H 1 4.125 0 . 1 . . . . A 18 C H5'' . 31165 1 157 . 1 . 1 18 18 C H6 H 1 7.43 0.09 . 1 . . . . A 18 C H6 . 31165 1 158 . 1 . 1 18 18 C H41 H 1 7.99 0.02 . 1 . . . . A 18 C H41 . 31165 1 159 . 1 . 1 18 18 C H42 H 1 6.779 0.01 . 1 . . . . A 18 C H42 . 31165 1 160 . 1 . 1 18 18 C C1' C 13 94.316 0 . 1 . . . . A 18 C C1' . 31165 1 161 . 1 . 1 18 18 C C2' C 13 76.539 0 . 1 . . . . A 18 C C2' . 31165 1 162 . 1 . 1 18 18 C C3' C 13 73.119 0 . 1 . . . . A 18 C C3' . 31165 1 163 . 1 . 1 18 18 C C4' C 13 86.109 0 . 1 . . . . A 18 C C4' . 31165 1 164 . 1 . 1 18 18 C C5 C 13 98.212 0 . 1 . . . . A 18 C C5 . 31165 1 165 . 1 . 1 18 18 C C5' C 13 65.3 0.01 . 1 . . . . A 18 C C5' . 31165 1 166 . 1 . 1 18 18 C C6 C 13 138.658 0 . 1 . . . . A 18 C C6 . 31165 1 167 . 1 . 1 18 18 C N4 N 15 97.865 0.03 . 1 . . . . A 18 C N4 . 31165 1 168 . 1 . 1 19 19 A H1' H 1 5.971 0 . 1 . . . . A 19 A H1' . 31165 1 169 . 1 . 1 19 19 A H2 H 1 7.423 0 . 1 . . . . A 19 A H2 . 31165 1 170 . 1 . 1 19 19 A H2' H 1 4.675 0 . 1 . . . . A 19 A H2' . 31165 1 171 . 1 . 1 19 19 A H3' H 1 4.698 0.01 . 1 . . . . A 19 A H3' . 31165 1 172 . 1 . 1 19 19 A H5' H 1 4.458 0.01 . 1 . . . . A 19 A H5' . 31165 1 173 . 1 . 1 19 19 A H5'' H 1 4.255 0 . 1 . . . . A 19 A H5'' . 31165 1 174 . 1 . 1 19 19 A H8 H 1 8.093 0.09 . 1 . . . . A 19 A H8 . 31165 1 175 . 1 . 1 19 19 A C1' C 13 93.615 0 . 1 . . . . A 19 A C1' . 31165 1 176 . 1 . 1 19 19 A C3' C 13 73.515 0 . 1 . . . . A 19 A C3' . 31165 1 177 . 1 . 1 19 19 A C5' C 13 69.847 0.01 . 1 . . . . A 19 A C5' . 31165 1 178 . 1 . 1 19 19 A C8 C 13 136.764 0 . 1 . . . . A 19 A C8 . 31165 1 179 . 1 . 1 20 20 A H1' H 1 5.816 0.09 . 1 . . . . A 20 A H1' . 31165 1 180 . 1 . 1 20 20 A H2 H 1 7.607 0.1 . 1 . . . . A 20 A H2 . 31165 1 181 . 1 . 1 20 20 A H2' H 1 4.445 0.09 . 1 . . . . A 20 A H2' . 31165 1 182 . 1 . 1 20 20 A H4' H 1 4.578 0.01 . 1 . . . . A 20 A H4' . 31165 1 183 . 1 . 1 20 20 A H8 H 1 7.754 0 . 1 . . . . A 20 A H8 . 31165 1 184 . 1 . 1 20 20 A C1' C 13 93.826 0 . 1 . . . . A 20 A C1' . 31165 1 185 . 1 . 1 20 20 A C2 C 13 151.282 0 . 1 . . . . A 20 A C2 . 31165 1 186 . 1 . 1 20 20 A C4' C 13 84.326 0 . 1 . . . . A 20 A C4' . 31165 1 187 . 1 . 1 20 20 A C8 C 13 138.711 0 . 1 . . . . A 20 A C8 . 31165 1 188 . 1 . 1 21 21 C H1' H 1 5.404 0.1 . 1 . . . . A 21 C H1' . 31165 1 189 . 1 . 1 21 21 C H2' H 1 4.179 0.1 . 1 . . . . A 21 C H2' . 31165 1 190 . 1 . 1 21 21 C H3' H 1 4.447 0 . 1 . . . . A 21 C H3' . 31165 1 191 . 1 . 1 21 21 C H5 H 1 5.059 0.12 . 1 . . . . A 21 C H5 . 31165 1 192 . 1 . 1 21 21 C H5' H 1 4.587 0 . 1 . . . . A 21 C H5' . 31165 1 193 . 1 . 1 21 21 C H5'' H 1 4.358 0.01 . 1 . . . . A 21 C H5'' . 31165 1 194 . 1 . 1 21 21 C H6 H 1 7.527 0.09 . 1 . . . . A 21 C H6 . 31165 1 195 . 1 . 1 21 21 C H41 H 1 8.181 0.01 . 1 . . . . A 21 C H41 . 31165 1 196 . 1 . 1 21 21 C H42 H 1 6.686 0.01 . 1 . . . . A 21 C H42 . 31165 1 197 . 1 . 1 21 21 C C1' C 13 94.442 0 . 1 . . . . A 21 C C1' . 31165 1 198 . 1 . 1 21 21 C C3' C 13 72.993 0 . 1 . . . . A 21 C C3' . 31165 1 199 . 1 . 1 21 21 C C5 C 13 97.752 0 . 1 . . . . A 21 C C5 . 31165 1 200 . 1 . 1 21 21 C C5' C 13 70.516 0.01 . 1 . . . . A 21 C C5' . 31165 1 201 . 1 . 1 21 21 C C6 C 13 138.406 0 . 1 . . . . A 21 C C6 . 31165 1 202 . 1 . 1 21 21 C N4 N 15 99.146 0 . 1 . . . . A 21 C N4 . 31165 1 203 . 1 . 1 22 22 C H1' H 1 5.454 0.11 . 1 . . . . A 22 C H1' . 31165 1 204 . 1 . 1 22 22 C H2' H 1 4.449 0.09 . 1 . . . . A 22 C H2' . 31165 1 205 . 1 . 1 22 22 C H3' H 1 4.363 0 . 1 . . . . A 22 C H3' . 31165 1 206 . 1 . 1 22 22 C H4' H 1 4.451 0 . 1 . . . . A 22 C H4' . 31165 1 207 . 1 . 1 22 22 C H5 H 1 5.328 0.11 . 1 . . . . A 22 C H5 . 31165 1 208 . 1 . 1 22 22 C H6 H 1 7.601 0.1 . 1 . . . . A 22 C H6 . 31165 1 209 . 1 . 1 22 22 C H41 H 1 8.32 0.08 . 1 . . . . A 22 C H41 . 31165 1 210 . 1 . 1 22 22 C H42 H 1 6.628 0.08 . 1 . . . . A 22 C H42 . 31165 1 211 . 1 . 1 22 22 C C3' C 13 72.503 0 . 1 . . . . A 22 C C3' . 31165 1 212 . 1 . 1 22 22 C C4' C 13 83.21 0 . 1 . . . . A 22 C C4' . 31165 1 213 . 1 . 1 22 22 C C5 C 13 98.384 0 . 1 . . . . A 22 C C5 . 31165 1 214 . 1 . 1 22 22 C C6 C 13 138.485 0 . 1 . . . . A 22 C C6 . 31165 1 215 . 1 . 1 22 22 C N4 N 15 98.875 0 . 1 . . . . A 22 C N4 . 31165 1 216 . 1 . 1 23 23 U H1' H 1 5.555 0.12 . 1 . . . . A 23 U H1' . 31165 1 217 . 1 . 1 23 23 U H2' H 1 3.732 0.11 . 1 . . . . A 23 U H2' . 31165 1 218 . 1 . 1 23 23 U H3 H 1 11.597 0.1 . 1 . . . . A 23 U H3 . 31165 1 219 . 1 . 1 23 23 U H3' H 1 4.431 0 . 1 . . . . A 23 U H3' . 31165 1 220 . 1 . 1 23 23 U H5 H 1 5.749 0.1 . 1 . . . . A 23 U H5 . 31165 1 221 . 1 . 1 23 23 U H6 H 1 7.732 0.11 . 1 . . . . A 23 U H6 . 31165 1 222 . 1 . 1 23 23 U C1' C 13 93.246 0 . 1 . . . . A 23 U C1' . 31165 1 223 . 1 . 1 23 23 U C2' C 13 76.726 0 . 1 . . . . A 23 U C2' . 31165 1 224 . 1 . 1 23 23 U C5 C 13 105.832 0 . 1 . . . . A 23 U C5 . 31165 1 225 . 1 . 1 23 23 U C6 C 13 140.384 0 . 1 . . . . A 23 U C6 . 31165 1 226 . 1 . 1 23 23 U N3 N 15 162.031 0 . 1 . . . . A 23 U N3 . 31165 1 227 . 1 . 1 24 24 U H1' H 1 6.085 0.1 . 1 . . . . A 24 U H1' . 31165 1 228 . 1 . 1 24 24 U H2' H 1 4.648 0.1 . 1 . . . . A 24 U H2' . 31165 1 229 . 1 . 1 24 24 U H3' H 1 4.089 0 . 1 . . . . A 24 U H3' . 31165 1 230 . 1 . 1 24 24 U H4' H 1 4.545 0 . 1 . . . . A 24 U H4' . 31165 1 231 . 1 . 1 24 24 U H5 H 1 5.898 0.03 . 1 . . . . A 24 U H5 . 31165 1 232 . 1 . 1 24 24 U H5' H 1 4.293 0 . 1 . . . . A 24 U H5' . 31165 1 233 . 1 . 1 24 24 U H5'' H 1 4.134 0.01 . 1 . . . . A 24 U H5'' . 31165 1 234 . 1 . 1 24 24 U H6 H 1 8.058 0.08 . 1 . . . . A 24 U H6 . 31165 1 235 . 1 . 1 24 24 U C1' C 13 90.065 0 . 1 . . . . A 24 U C1' . 31165 1 236 . 1 . 1 24 24 U C3' C 13 78.625 0 . 1 . . . . A 24 U C3' . 31165 1 237 . 1 . 1 24 24 U C5 C 13 106.217 0 . 1 . . . . A 24 U C5 . 31165 1 238 . 1 . 1 24 24 U C6 C 13 142.189 0 . 1 . . . . A 24 U C6 . 31165 1 239 . 1 . 1 25 25 C H1' H 1 5.922 0.11 . 1 . . . . A 25 C H1' . 31165 1 240 . 1 . 1 25 25 C H2' H 1 4.079 0.1 . 1 . . . . A 25 C H2' . 31165 1 241 . 1 . 1 25 25 C H3' H 1 4.545 0 . 1 . . . . A 25 C H3' . 31165 1 242 . 1 . 1 25 25 C H4' H 1 3.845 0 . 1 . . . . A 25 C H4' . 31165 1 243 . 1 . 1 25 25 C H5 H 1 6.11 0.11 . 1 . . . . A 25 C H5 . 31165 1 244 . 1 . 1 25 25 C H5' H 1 3.671 0 . 1 . . . . A 25 C H5' . 31165 1 245 . 1 . 1 25 25 C H5'' H 1 2.794 0 . 1 . . . . A 25 C H5'' . 31165 1 246 . 1 . 1 25 25 C H6 H 1 7.67 0.1 . 1 . . . . A 25 C H6 . 31165 1 247 . 1 . 1 25 25 C H41 H 1 6.906 0.02 . 1 . . . . A 25 C H41 . 31165 1 248 . 1 . 1 25 25 C H42 H 1 6.136 0.01 . 1 . . . . A 25 C H42 . 31165 1 249 . 1 . 1 25 25 C C1' C 13 89.877 0 . 1 . . . . A 25 C C1' . 31165 1 250 . 1 . 1 25 25 C C2' C 13 78.383 0 . 1 . . . . A 25 C C2' . 31165 1 251 . 1 . 1 25 25 C C4' C 13 85.243 0 . 1 . . . . A 25 C C4' . 31165 1 252 . 1 . 1 25 25 C C5 C 13 99.42 0 . 1 . . . . A 25 C C5 . 31165 1 253 . 1 . 1 25 25 C C5' C 13 68.195 0 . 1 . . . . A 25 C C5' . 31165 1 254 . 1 . 1 25 25 C C6 C 13 140.264 0 . 1 . . . . A 25 C C6 . 31165 1 255 . 1 . 1 25 25 C N4 N 15 93.477 0.01 . 1 . . . . A 25 C N4 . 31165 1 256 . 1 . 1 26 26 G H1 H 1 9.685 0.08 . 1 . . . . A 26 G H1 . 31165 1 257 . 1 . 1 26 26 G H1' H 1 5.951 0.09 . 1 . . . . A 26 G H1' . 31165 1 258 . 1 . 1 26 26 G H2' H 1 4.855 0.09 . 1 . . . . A 26 G H2' . 31165 1 259 . 1 . 1 26 26 G H3' H 1 5.666 0.01 . 1 . . . . A 26 G H3' . 31165 1 260 . 1 . 1 26 26 G H4' H 1 4.409 0 . 1 . . . . A 26 G H4' . 31165 1 261 . 1 . 1 26 26 G H8 H 1 7.837 0.1 . 1 . . . . A 26 G H8 . 31165 1 262 . 1 . 1 26 26 G H21 H 1 6.407 0 . 1 . . . . A 26 G H21 . 31165 1 263 . 1 . 1 26 26 G H22 H 1 7.461 0.61 . 1 . . . . A 26 G H22 . 31165 1 264 . 1 . 1 26 26 G C1' C 13 95.315 0 . 1 . . . . A 26 G C1' . 31165 1 265 . 1 . 1 26 26 G C2' C 13 78.096 0 . 1 . . . . A 26 G C2' . 31165 1 266 . 1 . 1 26 26 G C3' C 13 76.759 0 . 1 . . . . A 26 G C3' . 31165 1 267 . 1 . 1 26 26 G C8 C 13 135.2 0 . 1 . . . . A 26 G C8 . 31165 1 268 . 1 . 1 26 26 G N1 N 15 145.476 0 . 1 . . . . A 26 G N1 . 31165 1 269 . 1 . 1 27 27 G H1 H 1 12.702 0.08 . 1 . . . . A 27 G H1 . 31165 1 270 . 1 . 1 27 27 G H1' H 1 4.561 0.07 . 1 . . . . A 27 G H1' . 31165 1 271 . 1 . 1 27 27 G H2' H 1 4.497 0.16 . 1 . . . . A 27 G H2' . 31165 1 272 . 1 . 1 27 27 G H3' H 1 4.379 0.03 . 1 . . . . A 27 G H3' . 31165 1 273 . 1 . 1 27 27 G H4' H 1 4.485 0.03 . 1 . . . . A 27 G H4' . 31165 1 274 . 1 . 1 27 27 G H5' H 1 4.487 0 . 1 . . . . A 27 G H5' . 31165 1 275 . 1 . 1 27 27 G H5'' H 1 4.253 0.01 . 1 . . . . A 27 G H5'' . 31165 1 276 . 1 . 1 27 27 G H8 H 1 8.285 0.09 . 1 . . . . A 27 G H8 . 31165 1 277 . 1 . 1 27 27 G H21 H 1 8.397 0.02 . 1 . . . . A 27 G H21 . 31165 1 278 . 1 . 1 27 27 G H22 H 1 6.177 0.01 . 1 . . . . A 27 G H22 . 31165 1 279 . 1 . 1 27 27 G C1' C 13 93.745 0 . 1 . . . . A 27 G C1' . 31165 1 280 . 1 . 1 27 27 G C3' C 13 73.528 0 . 1 . . . . A 27 G C3' . 31165 1 281 . 1 . 1 27 27 G C4' C 13 82.621 0 . 1 . . . . A 27 G C4' . 31165 1 282 . 1 . 1 27 27 G C5' C 13 67.022 0.02 . 1 . . . . A 27 G C5' . 31165 1 283 . 1 . 1 27 27 G C8 C 13 136.274 0 . 1 . . . . A 27 G C8 . 31165 1 284 . 1 . 1 27 27 G N1 N 15 149.591 0 . 1 . . . . A 27 G N1 . 31165 1 285 . 1 . 1 27 27 G N2 N 15 74.823 0.01 . 1 . . . . A 27 G N2 . 31165 1 286 . 1 . 1 28 28 G H1 H 1 12.912 0.05 . 1 . . . . A 28 G H1 . 31165 1 287 . 1 . 1 28 28 G H1' H 1 5.782 0.1 . 1 . . . . A 28 G H1' . 31165 1 288 . 1 . 1 28 28 G H2' H 1 4.496 0.12 . 1 . . . . A 28 G H2' . 31165 1 289 . 1 . 1 28 28 G H3' H 1 4.171 0.1 . 1 . . . . A 28 G H3' . 31165 1 290 . 1 . 1 28 28 G H4' H 1 4.454 0.03 . 1 . . . . A 28 G H4' . 31165 1 291 . 1 . 1 28 28 G H5' H 1 4.505 0.01 . 1 . . . . A 28 G H5' . 31165 1 292 . 1 . 1 28 28 G H5'' H 1 4.138 0.01 . 1 . . . . A 28 G H5'' . 31165 1 293 . 1 . 1 28 28 G H8 H 1 7.191 0.08 . 1 . . . . A 28 G H8 . 31165 1 294 . 1 . 1 28 28 G H21 H 1 5.846 0 . 1 . . . . A 28 G H21 . 31165 1 295 . 1 . 1 28 28 G C3' C 13 78.157 0 . 1 . . . . A 28 G C3' . 31165 1 296 . 1 . 1 28 28 G C5' C 13 65.776 0.02 . 1 . . . . A 28 G C5' . 31165 1 297 . 1 . 1 28 28 G C8 C 13 133.727 0 . 1 . . . . A 28 G C8 . 31165 1 298 . 1 . 1 28 28 G N1 N 15 150.598 0 . 1 . . . . A 28 G N1 . 31165 1 299 . 1 . 1 29 29 U H1' H 1 5.53 0.09 . 1 . . . . A 29 U H1' . 31165 1 300 . 1 . 1 29 29 U H2' H 1 4.492 0.07 . 1 . . . . A 29 U H2' . 31165 1 301 . 1 . 1 29 29 U H3 H 1 13.524 0.11 . 1 . . . . A 29 U H3 . 31165 1 302 . 1 . 1 29 29 U H4' H 1 4.486 0 . 1 . . . . A 29 U H4' . 31165 1 303 . 1 . 1 29 29 U H5 H 1 5.119 0.02 . 1 . . . . A 29 U H5 . 31165 1 304 . 1 . 1 29 29 U H6 H 1 7.604 0.08 . 1 . . . . A 29 U H6 . 31165 1 305 . 1 . 1 29 29 U C1' C 13 94.846 0 . 1 . . . . A 29 U C1' . 31165 1 306 . 1 . 1 29 29 U C5 C 13 104.192 0 . 1 . . . . A 29 U C5 . 31165 1 307 . 1 . 1 29 29 U C6 C 13 138.594 0 . 1 . . . . A 29 U C6 . 31165 1 308 . 1 . 1 29 29 U N3 N 15 164.619 0 . 1 . . . . A 29 U N3 . 31165 1 309 . 1 . 1 30 30 G H1 H 1 13.804 0 . 1 . . . . A 30 G H1 . 31165 1 310 . 1 . 1 30 30 G H1' H 1 5.916 0.1 . 1 . . . . A 30 G H1' . 31165 1 311 . 1 . 1 30 30 G H2' H 1 4.755 0.1 . 1 . . . . A 30 G H2' . 31165 1 312 . 1 . 1 30 30 G H3' H 1 4.481 0 . 1 . . . . A 30 G H3' . 31165 1 313 . 1 . 1 30 30 G H4' H 1 4.567 0 . 1 . . . . A 30 G H4' . 31165 1 314 . 1 . 1 30 30 G H8 H 1 7.749 0.1 . 1 . . . . A 30 G H8 . 31165 1 315 . 1 . 1 30 30 G C1' C 13 92.05 0 . 1 . . . . A 30 G C1' . 31165 1 316 . 1 . 1 30 30 G C3' C 13 73.458 0 . 1 . . . . A 30 G C3' . 31165 1 317 . 1 . 1 31 31 G H1 H 1 12.421 0.06 . 1 . . . . A 31 G H1 . 31165 1 318 . 1 . 1 31 31 G H1' H 1 5.749 0.09 . 1 . . . . A 31 G H1' . 31165 1 319 . 1 . 1 31 31 G H2' H 1 4.494 0.1 . 1 . . . . A 31 G H2' . 31165 1 320 . 1 . 1 31 31 G H3' H 1 4.482 0 . 1 . . . . A 31 G H3' . 31165 1 321 . 1 . 1 31 31 G H8 H 1 7.52 0.11 . 1 . . . . A 31 G H8 . 31165 1 322 . 1 . 1 31 31 G H21 H 1 7.733 0 . 1 . . . . A 31 G H21 . 31165 1 323 . 1 . 1 31 31 G H22 H 1 5.914 0 . 1 . . . . A 31 G H22 . 31165 1 324 . 1 . 1 31 31 G C1' C 13 93.217 0 . 1 . . . . A 31 G C1' . 31165 1 325 . 1 . 1 31 31 G C3' C 13 73.082 0 . 1 . . . . A 31 G C3' . 31165 1 326 . 1 . 1 31 31 G C8 C 13 134.65 0 . 1 . . . . A 31 G C8 . 31165 1 327 . 1 . 1 31 31 G N1 N 15 149.843 0 . 1 . . . . A 31 G N1 . 31165 1 328 . 1 . 1 32 32 U H1' H 1 5.427 0.11 . 1 . . . . A 32 U H1' . 31165 1 329 . 1 . 1 32 32 U H2' H 1 4.55 0.11 . 1 . . . . A 32 U H2' . 31165 1 330 . 1 . 1 32 32 U H3 H 1 13.48 0.06 . 1 . . . . A 32 U H3 . 31165 1 331 . 1 . 1 32 32 U H3' H 1 4.576 0.01 . 1 . . . . A 32 U H3' . 31165 1 332 . 1 . 1 32 32 U H4' H 1 4.476 0 . 1 . . . . A 32 U H4' . 31165 1 333 . 1 . 1 32 32 U H5 H 1 5.059 0.03 . 1 . . . . A 32 U H5 . 31165 1 334 . 1 . 1 32 32 U H5' H 1 4.561 0.01 . 1 . . . . A 32 U H5' . 31165 1 335 . 1 . 1 32 32 U H5'' H 1 4.151 0.01 . 1 . . . . A 32 U H5'' . 31165 1 336 . 1 . 1 32 32 U H6 H 1 7.721 0.09 . 1 . . . . A 32 U H6 . 31165 1 337 . 1 . 1 32 32 U C1' C 13 94.751 0 . 1 . . . . A 32 U C1' . 31165 1 338 . 1 . 1 32 32 U C3' C 13 73.904 0 . 1 . . . . A 32 U C3' . 31165 1 339 . 1 . 1 32 32 U C4' C 13 83.987 0 . 1 . . . . A 32 U C4' . 31165 1 340 . 1 . 1 32 32 U C5 C 13 103.73 0 . 1 . . . . A 32 U C5 . 31165 1 341 . 1 . 1 32 32 U C5' C 13 64.77 0.01 . 1 . . . . A 32 U C5' . 31165 1 342 . 1 . 1 32 32 U C6 C 13 140.157 0 . 1 . . . . A 32 U C6 . 31165 1 343 . 1 . 1 32 32 U N3 N 15 164.583 0 . 1 . . . . A 32 U N3 . 31165 1 344 . 1 . 1 33 33 G H1 H 1 12.262 0.06 . 1 . . . . A 33 G H1 . 31165 1 345 . 1 . 1 33 33 G H1' H 1 5.681 0.1 . 1 . . . . A 33 G H1' . 31165 1 346 . 1 . 1 33 33 G H2' H 1 4.416 0.1 . 1 . . . . A 33 G H2' . 31165 1 347 . 1 . 1 33 33 G H8 H 1 7.599 0.09 . 1 . . . . A 33 G H8 . 31165 1 348 . 1 . 1 33 33 G C1' C 13 93.253 0 . 1 . . . . A 33 G C1' . 31165 1 349 . 1 . 1 33 33 G C8 C 13 133.577 0 . 1 . . . . A 33 G C8 . 31165 1 350 . 1 . 1 33 33 G N1 N 15 149.807 0 . 1 . . . . A 33 G N1 . 31165 1 351 . 1 . 1 34 34 C H1' H 1 5.43 0.12 . 1 . . . . A 34 C H1' . 31165 1 352 . 1 . 1 34 34 C H2' H 1 4.266 0.1 . 1 . . . . A 34 C H2' . 31165 1 353 . 1 . 1 34 34 C H5 H 1 5.096 0.11 . 1 . . . . A 34 C H5 . 31165 1 354 . 1 . 1 34 34 C H6 H 1 7.412 0.1 . 1 . . . . A 34 C H6 . 31165 1 355 . 1 . 1 34 34 C H41 H 1 8.041 0 . 1 . . . . A 34 C H41 . 31165 1 356 . 1 . 1 34 34 C H42 H 1 6.561 0.01 . 1 . . . . A 34 C H42 . 31165 1 357 . 1 . 1 34 34 C C1' C 13 94.096 0 . 1 . . . . A 34 C C1' . 31165 1 358 . 1 . 1 34 34 C C5 C 13 98.083 0 . 1 . . . . A 34 C C5 . 31165 1 359 . 1 . 1 34 34 C N4 N 15 98.23 0.02 . 1 . . . . A 34 C N4 . 31165 1 360 . 1 . 1 35 35 G H1' H 1 5.612 0.09 . 1 . . . . A 35 G H1' . 31165 1 361 . 1 . 1 35 35 G H2' H 1 4.201 0.1 . 1 . . . . A 35 G H2' . 31165 1 362 . 1 . 1 35 35 G H3' H 1 4.739 0 . 1 . . . . A 35 G H3' . 31165 1 363 . 1 . 1 35 35 G H4' H 1 4.659 0.01 . 1 . . . . A 35 G H4' . 31165 1 364 . 1 . 1 35 35 G H5' H 1 4.414 0 . 1 . . . . A 35 G H5' . 31165 1 365 . 1 . 1 35 35 G H5'' H 1 4.146 0.01 . 1 . . . . A 35 G H5'' . 31165 1 366 . 1 . 1 35 35 G H8 H 1 7.628 0.09 . 1 . . . . A 35 G H8 . 31165 1 367 . 1 . 1 35 35 G C4' C 13 85.066 0 . 1 . . . . A 35 G C4' . 31165 1 368 . 1 . 1 35 35 G C5' C 13 67.179 0.01 . 1 . . . . A 35 G C5' . 31165 1 369 . 1 . 1 35 35 G C8 C 13 135.344 0 . 1 . . . . A 35 G C8 . 31165 1 370 . 1 . 1 36 36 A H1' H 1 5.888 0.08 . 1 . . . . A 36 A H1' . 31165 1 371 . 1 . 1 36 36 A H2 H 1 7.364 0.29 . 1 . . . . A 36 A H2 . 31165 1 372 . 1 . 1 36 36 A H2' H 1 4.709 0.1 . 1 . . . . A 36 A H2' . 31165 1 373 . 1 . 1 36 36 A H3' H 1 4.421 0.01 . 1 . . . . A 36 A H3' . 31165 1 374 . 1 . 1 36 36 A H4' H 1 4.656 0.01 . 1 . . . . A 36 A H4' . 31165 1 375 . 1 . 1 36 36 A H5' H 1 4.579 0.01 . 1 . . . . A 36 A H5' . 31165 1 376 . 1 . 1 36 36 A H5'' H 1 4.203 0.01 . 1 . . . . A 36 A H5'' . 31165 1 377 . 1 . 1 36 36 A H8 H 1 8.014 0.09 . 1 . . . . A 36 A H8 . 31165 1 378 . 1 . 1 36 36 A C1' C 13 93.981 0 . 1 . . . . A 36 A C1' . 31165 1 379 . 1 . 1 36 36 A C2 C 13 150.905 0 . 1 . . . . A 36 A C2 . 31165 1 380 . 1 . 1 36 36 A C3' C 13 73.451 0 . 1 . . . . A 36 A C3' . 31165 1 381 . 1 . 1 36 36 A C4' C 13 83.887 0 . 1 . . . . A 36 A C4' . 31165 1 382 . 1 . 1 36 36 A C5' C 13 65.782 0.01 . 1 . . . . A 36 A C5' . 31165 1 383 . 1 . 1 36 36 A C8 C 13 138.284 0 . 1 . . . . A 36 A C8 . 31165 1 384 . 1 . 1 37 37 G H1 H 1 12.148 0.08 . 1 . . . . A 37 G H1 . 31165 1 385 . 1 . 1 37 37 G H1' H 1 5.715 0.1 . 1 . . . . A 37 G H1' . 31165 1 386 . 1 . 1 37 37 G H2' H 1 4.654 0.1 . 1 . . . . A 37 G H2' . 31165 1 387 . 1 . 1 37 37 G H3' H 1 4.278 0 . 1 . . . . A 37 G H3' . 31165 1 388 . 1 . 1 37 37 G H4' H 1 4.591 0 . 1 . . . . A 37 G H4' . 31165 1 389 . 1 . 1 37 37 G H8 H 1 7.369 0.1 . 1 . . . . A 37 G H8 . 31165 1 390 . 1 . 1 37 37 G H21 H 1 7.876 0 . 1 . . . . A 37 G H21 . 31165 1 391 . 1 . 1 37 37 G H22 H 1 6.032 0.05 . 1 . . . . A 37 G H22 . 31165 1 392 . 1 . 1 37 37 G C8 C 13 134.385 0 . 1 . . . . A 37 G C8 . 31165 1 393 . 1 . 1 37 37 G N1 N 15 148.944 0 . 1 . . . . A 37 G N1 . 31165 1 394 . 1 . 1 37 37 G N2 N 15 73.075 0 . 1 . . . . A 37 G N2 . 31165 1 395 . 1 . 1 38 38 A H1' H 1 5.923 0.12 . 1 . . . . A 38 A H1' . 31165 1 396 . 1 . 1 38 38 A H2 H 1 6.941 0.12 . 1 . . . . A 38 A H2 . 31165 1 397 . 1 . 1 38 38 A H2' H 1 4.53 0.1 . 1 . . . . A 38 A H2' . 31165 1 398 . 1 . 1 38 38 A H8 H 1 7.702 0.12 . 1 . . . . A 38 A H8 . 31165 1 399 . 1 . 1 38 38 A H61 H 1 7.684 0.02 . 1 . . . . A 38 A H61 . 31165 1 400 . 1 . 1 38 38 A H62 H 1 6.47 0.01 . 1 . . . . A 38 A H62 . 31165 1 401 . 1 . 1 38 38 A C1' C 13 92.066 0 . 1 . . . . A 38 A C1' . 31165 1 402 . 1 . 1 38 38 A C2 C 13 150.116 0 . 1 . . . . A 38 A C2 . 31165 1 403 . 1 . 1 38 38 A N6 N 15 81.864 0.01 . 1 . . . . A 38 A N6 . 31165 1 404 . 1 . 1 39 39 AP7 H1' H 1 6.071 0.1 . 1 . . . . A 39 AP7 H1' . 31165 1 405 . 1 . 1 39 39 AP7 H2 H 1 8.213 0.06 . 1 . . . . A 39 AP7 H2 . 31165 1 406 . 1 . 1 39 39 AP7 H2' H 1 4.543 0.1 . 1 . . . . A 39 AP7 H2' . 31165 1 407 . 1 . 1 39 39 AP7 H8 H 1 7.801 0.1 . 1 . . . . A 39 AP7 H8 . 31165 1 408 . 1 . 1 39 39 AP7 C2 C 13 144.455 0 . 1 . . . . A 39 AP7 C2 . 31165 1 409 . 1 . 1 40 40 C H1' H 1 5.417 0.1 . 1 . . . . A 40 C H1' . 31165 1 410 . 1 . 1 40 40 C H2' H 1 4.461 0.11 . 1 . . . . A 40 C H2' . 31165 1 411 . 1 . 1 40 40 C H3' H 1 4.444 0.01 . 1 . . . . A 40 C H3' . 31165 1 412 . 1 . 1 40 40 C H5 H 1 5.282 0.12 . 1 . . . . A 40 C H5 . 31165 1 413 . 1 . 1 40 40 C H5' H 1 4.561 0 . 1 . . . . A 40 C H5' . 31165 1 414 . 1 . 1 40 40 C H5'' H 1 4.168 0 . 1 . . . . A 40 C H5'' . 31165 1 415 . 1 . 1 40 40 C H6 H 1 7.557 0.1 . 1 . . . . A 40 C H6 . 31165 1 416 . 1 . 1 40 40 C H41 H 1 7.888 0.02 . 1 . . . . A 40 C H41 . 31165 1 417 . 1 . 1 40 40 C H42 H 1 6.933 0.01 . 1 . . . . A 40 C H42 . 31165 1 418 . 1 . 1 40 40 C C1' C 13 94.346 0 . 1 . . . . A 40 C C1' . 31165 1 419 . 1 . 1 40 40 C C3' C 13 73.715 0 . 1 . . . . A 40 C C3' . 31165 1 420 . 1 . 1 40 40 C C5 C 13 98.491 0 . 1 . . . . A 40 C C5 . 31165 1 421 . 1 . 1 40 40 C C5' C 13 66.232 0.01 . 1 . . . . A 40 C C5' . 31165 1 422 . 1 . 1 40 40 C N4 N 15 98.888 0.01 . 1 . . . . A 40 C N4 . 31165 1 423 . 1 . 1 41 41 A H1' H 1 5.9 0.1 . 1 . . . . A 41 A H1' . 31165 1 424 . 1 . 1 41 41 A H2 H 1 7.216 0.11 . 1 . . . . A 41 A H2 . 31165 1 425 . 1 . 1 41 41 A H2' H 1 4.556 0.11 . 1 . . . . A 41 A H2' . 31165 1 426 . 1 . 1 41 41 A H4' H 1 4.409 0 . 1 . . . . A 41 A H4' . 31165 1 427 . 1 . 1 41 41 A H8 H 1 7.803 0.1 . 1 . . . . A 41 A H8 . 31165 1 428 . 1 . 1 41 41 A C1' C 13 91.92 0 . 1 . . . . A 41 A C1' . 31165 1 429 . 1 . 1 41 41 A C2 C 13 150.502 0 . 1 . . . . A 41 A C2 . 31165 1 430 . 1 . 1 41 41 A C4' C 13 82.689 0 . 1 . . . . A 41 A C4' . 31165 1 431 . 1 . 1 42 42 C H1' H 1 5.195 0.09 . 1 . . . . A 42 C H1' . 31165 1 432 . 1 . 1 42 42 C H2' H 1 4.025 0.09 . 1 . . . . A 42 C H2' . 31165 1 433 . 1 . 1 42 42 C H3' H 1 4.479 0.01 . 1 . . . . A 42 C H3' . 31165 1 434 . 1 . 1 42 42 C H4' H 1 4.397 0 . 1 . . . . A 42 C H4' . 31165 1 435 . 1 . 1 42 42 C H5 H 1 5.285 0.03 . 1 . . . . A 42 C H5 . 31165 1 436 . 1 . 1 42 42 C H5' H 1 4.367 0.01 . 1 . . . . A 42 C H5' . 31165 1 437 . 1 . 1 42 42 C H5'' H 1 4.121 0.02 . 1 . . . . A 42 C H5'' . 31165 1 438 . 1 . 1 42 42 C H6 H 1 7.356 0.09 . 1 . . . . A 42 C H6 . 31165 1 439 . 1 . 1 42 42 C C1' C 13 94.764 0 . 1 . . . . A 42 C C1' . 31165 1 440 . 1 . 1 42 42 C C2' C 13 76.131 0 . 1 . . . . A 42 C C2' . 31165 1 441 . 1 . 1 42 42 C C3' C 13 73.808 0 . 1 . . . . A 42 C C3' . 31165 1 442 . 1 . 1 42 42 C C5 C 13 97.92 0 . 1 . . . . A 42 C C5 . 31165 1 443 . 1 . 1 42 42 C C5' C 13 66.927 0 . 1 . . . . A 42 C C5' . 31165 1 444 . 1 . 1 42 42 C C6 C 13 138.654 0 . 1 . . . . A 42 C C6 . 31165 1 445 . 1 . 1 43 43 A H1' H 1 6.01 0.09 . 1 . . . . A 43 A H1' . 31165 1 446 . 1 . 1 43 43 A H2 H 1 7.403 0.09 . 1 . . . . A 43 A H2 . 31165 1 447 . 1 . 1 43 43 A H2' H 1 4.636 0.11 . 1 . . . . A 43 A H2' . 31165 1 448 . 1 . 1 43 43 A H3' H 1 4.744 0 . 1 . . . . A 43 A H3' . 31165 1 449 . 1 . 1 43 43 A H5' H 1 4.508 0 . 1 . . . . A 43 A H5' . 31165 1 450 . 1 . 1 43 43 A H5'' H 1 4.181 0 . 1 . . . . A 43 A H5'' . 31165 1 451 . 1 . 1 43 43 A H8 H 1 8.102 0.1 . 1 . . . . A 43 A H8 . 31165 1 452 . 1 . 1 43 43 A C2 C 13 151.694 0 . 1 . . . . A 43 A C2 . 31165 1 453 . 1 . 1 43 43 A C3' C 13 75.127 0 . 1 . . . . A 43 A C3' . 31165 1 454 . 1 . 1 43 43 A C5' C 13 66.547 0.01 . 1 . . . . A 43 A C5' . 31165 1 455 . 1 . 1 43 43 A C8 C 13 138.205 0 . 1 . . . . A 43 A C8 . 31165 1 456 . 1 . 1 44 44 G H1 H 1 10.551 0.07 . 1 . . . . A 44 G H1 . 31165 1 457 . 1 . 1 44 44 G H1' H 1 5.662 0.1 . 1 . . . . A 44 G H1' . 31165 1 458 . 1 . 1 44 44 G H2' H 1 4.678 0.09 . 1 . . . . A 44 G H2' . 31165 1 459 . 1 . 1 44 44 G H8 H 1 7.223 0.12 . 1 . . . . A 44 G H8 . 31165 1 460 . 1 . 1 44 44 G C8 C 13 134.005 0 . 1 . . . . A 44 G C8 . 31165 1 461 . 1 . 1 44 44 G N1 N 15 145.744 0 . 1 . . . . A 44 G N1 . 31165 1 462 . 1 . 1 45 45 G H1 H 1 12.253 0.06 . 1 . . . . A 45 G H1 . 31165 1 463 . 1 . 1 45 45 G H1' H 1 5.7 0.11 . 1 . . . . A 45 G H1' . 31165 1 464 . 1 . 1 45 45 G H2' H 1 4.656 0.1 . 1 . . . . A 45 G H2' . 31165 1 465 . 1 . 1 45 45 G H8 H 1 7.226 0.1 . 1 . . . . A 45 G H8 . 31165 1 466 . 1 . 1 45 45 G H21 H 1 7.712 0 . 1 . . . . A 45 G H21 . 31165 1 467 . 1 . 1 45 45 G H22 H 1 6.107 0.02 . 1 . . . . A 45 G H22 . 31165 1 468 . 1 . 1 45 45 G C1' C 13 93.834 0 . 1 . . . . A 45 G C1' . 31165 1 469 . 1 . 1 45 45 G C8 C 13 134.711 0 . 1 . . . . A 45 G C8 . 31165 1 470 . 1 . 1 45 45 G N1 N 15 149.411 0 . 1 . . . . A 45 G N1 . 31165 1 471 . 1 . 1 45 45 G N2 N 15 72.719 0 . 1 . . . . A 45 G N2 . 31165 1 472 . 1 . 1 46 46 A H1' H 1 5.982 0.1 . 1 . . . . A 46 A H1' . 31165 1 473 . 1 . 1 46 46 A H2 H 1 7.751 0.14 . 1 . . . . A 46 A H2 . 31165 1 474 . 1 . 1 46 46 A H2' H 1 4.501 0.08 . 1 . . . . A 46 A H2' . 31165 1 475 . 1 . 1 46 46 A H8 H 1 7.753 0.09 . 1 . . . . A 46 A H8 . 31165 1 476 . 1 . 1 46 46 A C1' C 13 94.149 0 . 1 . . . . A 46 A C1' . 31165 1 477 . 1 . 1 46 46 A C2 C 13 151.449 0 . 1 . . . . A 46 A C2 . 31165 1 478 . 1 . 1 46 46 A C8 C 13 138.114 0 . 1 . . . . A 46 A C8 . 31165 1 479 . 1 . 1 47 47 U H1' H 1 5.648 0.11 . 1 . . . . A 47 U H1' . 31165 1 480 . 1 . 1 47 47 U H2' H 1 4.275 0.08 . 1 . . . . A 47 U H2' . 31165 1 481 . 1 . 1 47 47 U H3 H 1 13.271 0 . 1 . . . . A 47 U H3 . 31165 1 482 . 1 . 1 47 47 U H3' H 1 4.482 0 . 1 . . . . A 47 U H3' . 31165 1 483 . 1 . 1 47 47 U H5 H 1 5.121 0.05 . 1 . . . . A 47 U H5 . 31165 1 484 . 1 . 1 47 47 U H6 H 1 7.527 0.12 . 1 . . . . A 47 U H6 . 31165 1 485 . 1 . 1 47 47 U C1' C 13 93.255 0 . 1 . . . . A 47 U C1' . 31165 1 486 . 1 . 1 47 47 U C5 C 13 103.64 0 . 1 . . . . A 47 U C5 . 31165 1 487 . 1 . 1 47 47 U C6 C 13 139.02 0 . 1 . . . . A 47 U C6 . 31165 1 488 . 1 . 1 47 47 U N3 N 15 164.152 0 . 1 . . . . A 47 U N3 . 31165 1 489 . 1 . 1 48 48 A H1' H 1 6.045 0.07 . 1 . . . . A 48 A H1' . 31165 1 490 . 1 . 1 48 48 A H2 H 1 7.788 0.01 . 1 . . . . A 48 A H2 . 31165 1 491 . 1 . 1 48 48 A H2' H 1 4.684 0.01 . 1 . . . . A 48 A H2' . 31165 1 492 . 1 . 1 48 48 A H3' H 1 4.238 0 . 1 . . . . A 48 A H3' . 31165 1 493 . 1 . 1 48 48 A H4' H 1 4.588 0 . 1 . . . . A 48 A H4' . 31165 1 494 . 1 . 1 48 48 A H5' H 1 4.341 0.01 . 1 . . . . A 48 A H5' . 31165 1 495 . 1 . 1 48 48 A H5'' H 1 4.255 0 . 1 . . . . A 48 A H5'' . 31165 1 496 . 1 . 1 48 48 A H8 H 1 8.22 0.12 . 1 . . . . A 48 A H8 . 31165 1 497 . 1 . 1 48 48 A C1' C 13 93.7 0 . 1 . . . . A 48 A C1' . 31165 1 498 . 1 . 1 48 48 A C2 C 13 151.522 0 . 1 . . . . A 48 A C2 . 31165 1 499 . 1 . 1 48 48 A C5' C 13 67.326 0.01 . 1 . . . . A 48 A C5' . 31165 1 500 . 1 . 1 48 48 A C8 C 13 138.214 0 . 1 . . . . A 48 A C8 . 31165 1 501 . 1 . 1 49 49 C H1' H 1 5.557 0.05 . 1 . . . . A 49 C H1' . 31165 1 502 . 1 . 1 49 49 C H2' H 1 4.229 0.02 . 1 . . . . A 49 C H2' . 31165 1 503 . 1 . 1 49 49 C H5 H 1 5.492 0.04 . 1 . . . . A 49 C H5 . 31165 1 504 . 1 . 1 49 49 C H6 H 1 7.507 0.03 . 1 . . . . A 49 C H6 . 31165 1 505 . 1 . 1 49 49 C C1' C 13 94.035 0 . 1 . . . . A 49 C C1' . 31165 1 506 . 1 . 1 49 49 C C5 C 13 98.568 0 . 1 . . . . A 49 C C5 . 31165 1 507 . 1 . 1 49 49 C C6 C 13 138.944 0 . 1 . . . . A 49 C C6 . 31165 1 508 . 1 . 1 50 50 C H1' H 1 5.777 0.06 . 1 . . . . A 50 C H1' . 31165 1 509 . 1 . 1 50 50 C H2' H 1 4.029 0.06 . 1 . . . . A 50 C H2' . 31165 1 510 . 1 . 1 50 50 C H5 H 1 5.621 0.12 . 1 . . . . A 50 C H5 . 31165 1 511 . 1 . 1 50 50 C H6 H 1 7.742 0.04 . 1 . . . . A 50 C H6 . 31165 1 512 . 1 . 1 50 50 C C1' C 13 94.08 0 . 1 . . . . A 50 C C1' . 31165 1 513 . 1 . 1 50 50 C C5 C 13 99.12 0 . 1 . . . . A 50 C C5 . 31165 1 stop_ save_