################################### # 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 31259 _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 TOCSY' . . . 31259 1 2 '2D 1H-1H NOESY' . . . 31259 1 3 '2D 1H-1H TOCSY' . . . 31259 1 4 '2D 1H-1H NOESY' . . . 31259 1 5 '2D 1H-15N HSQC NH2 only' . . . 31259 1 6 '2D 1H-15N HSQC' . . . 31259 1 7 '2D filtered/edited NOESY' . . . 31259 1 8 '2D 1H-13C CT-HSQC aromatic' . . . 31259 1 9 '2D 1H-13C CT-HSQC aliphatic' . . . 31259 1 10 '2D 1H-13C HMQC' . . . 31259 1 11 '2D 1H-15N HSQC NH2 only' . . . 31259 1 12 '2D filtered/edited NOESY' . . . 31259 1 13 '2D 1H-13C CT-HSQC aromatic' . . . 31259 1 14 '2D 1H-13C CT-HSQC aliphatic' . . . 31259 1 15 '2D 1H-13C HMQC' . . . 31259 1 16 '2D 1H-15N HSQC NH2 only' . . . 31259 1 17 '2D filtered/edited NOESY' . . . 31259 1 18 '2D 1H-13C CT-HSQC aromatic' . . . 31259 1 19 '2D 1H-13C CT-HSQC aliphatic' . . . 31259 1 20 '2D 1H-13C HMQC' . . . 31259 1 21 '2D 1H-1N HNNCOSY' . . . 31259 1 22 '2D 1H-15N HSQC NH2 only' . . . 31259 1 23 '2D 1H-15N HSQC' . . . 31259 1 24 '3D 1H-13C NOESY' . . . 31259 1 25 '2D filtered/edited NOESY' . . . 31259 1 26 '2D 1H-13C CT-HSQC aromatic' . . . 31259 1 27 '2D 1H-13C CT-HSQC aliphatic' . . . 31259 1 28 '2D 1H-13C HMQC' . . . 31259 1 29 '2D 1H-1H NOESY' . . . 31259 1 30 '2D 1H-1H TOCSY' . . . 31259 1 31 '2D 1H-1H NOESY' . . . 31259 1 32 '2D 1H-1H NOESY' . . . 31259 1 33 '2D 1H-1H TOCSY' . . . 31259 1 34 '2D 1H-1H NOESY' . . . 31259 1 35 '2D 1H-1H NOESY' . . . 31259 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 5.916 0.66 . 1 . . . . A 17 G H1' . 31259 1 2 . 1 . 1 1 1 G H3' H 1 4.765 0.00 . 1 . . . . A 17 G H3' . 31259 1 3 . 1 . 1 1 1 G H4' H 1 4.550 0.04 . 1 . . . . A 17 G H4' . 31259 1 4 . 1 . 1 1 1 G H5' H 1 4.295 0.00 . . . . . . A 17 G H5' . 31259 1 5 . 1 . 1 1 1 G H5'' H 1 4.463 0.00 . . . . . . A 17 G H5'' . 31259 1 6 . 1 . 1 1 1 G H8 H 1 8.121 0.03 . 1 . . . . A 17 G H8 . 31259 1 7 . 1 . 1 1 1 G C1' C 13 89.754 0.00 . 1 . . . . A 17 G C1' . 31259 1 8 . 1 . 1 1 1 G C2' C 13 72.500 0.00 . 1 . . . . A 17 G C2' . 31259 1 9 . 1 . 1 1 1 G C3' C 13 74.632 0.00 . 1 . . . . A 17 G C3' . 31259 1 10 . 1 . 1 1 1 G C4' C 13 80.607 0.00 . 1 . . . . A 17 G C4' . 31259 1 11 . 1 . 1 1 1 G C8 C 13 136.784 0.00 . 1 . . . . A 17 G C8 . 31259 1 12 . 1 . 1 1 1 G HO2' H 1 4.868 0.02 . 1 . . . . A 17 G HO2' . 31259 1 13 . 1 . 1 2 2 G H1 H 1 13.330 0.01 . 1 . . . . A 18 G H1 . 31259 1 14 . 1 . 1 2 2 G H1' H 1 5.853 0.01 . 1 . . . . A 18 G H1' . 31259 1 15 . 1 . 1 2 2 G H3' H 1 4.750 0.00 . 1 . . . . A 18 G H3' . 31259 1 16 . 1 . 1 2 2 G H4' H 1 4.659 0.00 . 1 . . . . A 18 G H4' . 31259 1 17 . 1 . 1 2 2 G H5' H 1 4.111 0.01 . . . . . . A 18 G H5' . 31259 1 18 . 1 . 1 2 2 G H5'' H 1 4.219 0.00 . . . . . . A 18 G H5'' . 31259 1 19 . 1 . 1 2 2 G H8 H 1 7.665 0.01 . 1 . . . . A 18 G H8 . 31259 1 20 . 1 . 1 2 2 G C1' C 13 90.321 0.00 . 1 . . . . A 18 G C1' . 31259 1 21 . 1 . 1 2 2 G C2' C 13 72.862 0.00 . 1 . . . . A 18 G C2' . 31259 1 22 . 1 . 1 2 2 G C3' C 13 72.559 0.00 . 1 . . . . A 18 G C3' . 31259 1 23 . 1 . 1 2 2 G C5' C 13 61.715 0.00 . 1 . . . . A 18 G C5' . 31259 1 24 . 1 . 1 2 2 G C8 C 13 133.713 0.00 . 1 . . . . A 18 G C8 . 31259 1 25 . 1 . 1 2 2 G N1 N 15 148.057 0.00 . 1 . . . . A 18 G N1 . 31259 1 26 . 1 . 1 2 2 G HO2' H 1 4.504 0.01 . 1 . . . . A 18 G HO2' . 31259 1 27 . 1 . 1 3 3 C H1' H 1 5.492 0.01 . 1 . . . . A 19 C H1' . 31259 1 28 . 1 . 1 3 3 C H3' H 1 4.545 0.12 . 1 . . . . A 19 C H3' . 31259 1 29 . 1 . 1 3 3 C H5 H 1 5.244 0.01 . 1 . . . . A 19 C H5 . 31259 1 30 . 1 . 1 3 3 C H6 H 1 7.672 0.02 . 1 . . . . A 19 C H6 . 31259 1 31 . 1 . 1 3 3 C H41 H 1 8.331 0.00 . . . . . . A 19 C H41 . 31259 1 32 . 1 . 1 3 3 C H42 H 1 6.816 0.03 . . . . . . A 19 C H42 . 31259 1 33 . 1 . 1 3 3 C C1' C 13 91.103 0.00 . 1 . . . . A 19 C C1' . 31259 1 34 . 1 . 1 3 3 C C2' C 13 72.915 0.00 . 1 . . . . A 19 C C2' . 31259 1 35 . 1 . 1 3 3 C C5 C 13 94.750 0.00 . 1 . . . . A 19 C C5 . 31259 1 36 . 1 . 1 3 3 C C6 C 13 137.874 0.00 . 1 . . . . A 19 C C6 . 31259 1 37 . 1 . 1 3 3 C N4 N 15 98.225 0.01 . 1 . . . . A 19 C N4 . 31259 1 38 . 1 . 1 3 3 C HO2' H 1 4.570 0.04 . 1 . . . . A 19 C HO2' . 31259 1 39 . 1 . 1 4 4 A H1' H 1 5.844 0.01 . 1 . . . . A 20 A H1' . 31259 1 40 . 1 . 1 4 4 A H2 H 1 6.853 0.02 . 1 . . . . A 20 A H2 . 31259 1 41 . 1 . 1 4 4 A H3' H 1 4.590 0.00 . 1 . . . . A 20 A H3' . 31259 1 42 . 1 . 1 4 4 A H4' H 1 4.493 0.00 . 1 . . . . A 20 A H4' . 31259 1 43 . 1 . 1 4 4 A H5' H 1 4.266 0.17 . . . . . . A 20 A H5' . 31259 1 44 . 1 . 1 4 4 A H5'' H 1 4.135 0.00 . . . . . . A 20 A H5'' . 31259 1 45 . 1 . 1 4 4 A H8 H 1 7.832 0.01 . 1 . . . . A 20 A H8 . 31259 1 46 . 1 . 1 4 4 A H61 H 1 7.698 0.01 . . . . . . A 20 A H61 . 31259 1 47 . 1 . 1 4 4 A H62 H 1 6.003 0.18 . . . . . . A 20 A H62 . 31259 1 48 . 1 . 1 4 4 A C1' C 13 90.624 0.00 . 1 . . . . A 20 A C1' . 31259 1 49 . 1 . 1 4 4 A C2 C 13 149.637 0.00 . 1 . . . . A 20 A C2 . 31259 1 50 . 1 . 1 4 4 A C2' C 13 72.856 0.00 . 1 . . . . A 20 A C2' . 31259 1 51 . 1 . 1 4 4 A C3' C 13 70.060 0.00 . 1 . . . . A 20 A C3' . 31259 1 52 . 1 . 1 4 4 A C4' C 13 79.369 0.00 . 1 . . . . A 20 A C4' . 31259 1 53 . 1 . 1 4 4 A C5' C 13 62.628 0.03 . 1 . . . . A 20 A C5' . 31259 1 54 . 1 . 1 4 4 A C8 C 13 136.377 0.00 . 1 . . . . A 20 A C8 . 31259 1 55 . 1 . 1 4 4 A HO2' H 1 4.449 0.00 . 1 . . . . A 20 A HO2' . 31259 1 56 . 1 . 1 5 5 G H1 H 1 12.945 0.03 . 1 . . . . A 21 G H1 . 31259 1 57 . 1 . 1 5 5 G H1' H 1 5.680 0.03 . 1 . . . . A 21 G H1' . 31259 1 58 . 1 . 1 5 5 G H3' H 1 4.534 0.00 . 1 . . . . A 21 G H3' . 31259 1 59 . 1 . 1 5 5 G H4' H 1 4.352 0.00 . 1 . . . . A 21 G H4' . 31259 1 60 . 1 . 1 5 5 G H5' H 1 4.224 0.12 . . . . . . A 21 G H5' . 31259 1 61 . 1 . 1 5 5 G H5'' H 1 4.325 0.13 . . . . . . A 21 G H5'' . 31259 1 62 . 1 . 1 5 5 G H8 H 1 7.143 0.00 . 1 . . . . A 21 G H8 . 31259 1 63 . 1 . 1 5 5 G C1' C 13 89.427 0.00 . 1 . . . . A 21 G C1' . 31259 1 64 . 1 . 1 5 5 G C2' C 13 75.336 0.00 . 1 . . . . A 21 G C2' . 31259 1 65 . 1 . 1 5 5 G C3' C 13 74.896 0.00 . 1 . . . . A 21 G C3' . 31259 1 66 . 1 . 1 5 5 G C4' C 13 79.902 0.00 . 1 . . . . A 21 G C4' . 31259 1 67 . 1 . 1 5 5 G C5' C 13 62.654 0.02 . 1 . . . . A 21 G C5' . 31259 1 68 . 1 . 1 5 5 G C8 C 13 132.149 0.00 . 1 . . . . A 21 G C8 . 31259 1 69 . 1 . 1 5 5 G N1 N 15 146.824 0.00 . 1 . . . . A 21 G N1 . 31259 1 70 . 1 . 1 5 5 G HO2' H 1 3.811 0.00 . 1 . . . . A 21 G HO2' . 31259 1 71 . 1 . 1 6 6 AP7 H1' H 1 6.036 0.03 . 1 . . . . A 22 AP7 H1' . 31259 1 72 . 1 . 1 6 6 AP7 H2 H 1 8.341 0.00 . 1 . . . . A 22 AP7 H2 . 31259 1 73 . 1 . 1 6 6 AP7 H3' H 1 4.815 0.01 . 1 . . . . A 22 AP7 H3' . 31259 1 74 . 1 . 1 6 6 AP7 H4' H 1 4.403 0.00 . 1 . . . . A 22 AP7 H4' . 31259 1 75 . 1 . 1 6 6 AP7 H5' H 1 4.131 0.01 . . . . . . A 22 AP7 H5' . 31259 1 76 . 1 . 1 6 6 AP7 H5'' H 1 4.202 0.01 . . . . . . A 22 AP7 H5'' . 31259 1 77 . 1 . 1 6 6 AP7 H8 H 1 8.216 0.00 . 1 . . . . A 22 AP7 H8 . 31259 1 78 . 1 . 1 6 6 AP7 H61 H 1 9.676 0.00 . . . . . . A 22 AP7 H61 . 31259 1 79 . 1 . 1 6 6 AP7 H62 H 1 8.912 0.00 . . . . . . A 22 AP7 H62 . 31259 1 80 . 1 . 1 6 6 AP7 C1' C 13 84.610 0.00 . 1 . . . . A 22 AP7 C1' . 31259 1 81 . 1 . 1 6 6 AP7 C2 C 13 145.500 0.00 . 1 . . . . A 22 AP7 C2 . 31259 1 82 . 1 . 1 6 6 AP7 C2' C 13 71.507 0.00 . 1 . . . . A 22 AP7 C2' . 31259 1 83 . 1 . 1 6 6 AP7 C3' C 13 72.945 0.00 . 1 . . . . A 22 AP7 C3' . 31259 1 84 . 1 . 1 6 6 AP7 C4' C 13 83.193 0.00 . 1 . . . . A 22 AP7 C4' . 31259 1 85 . 1 . 1 6 6 AP7 C5' C 13 64.569 0.01 . 1 . . . . A 22 AP7 C5' . 31259 1 86 . 1 . 1 6 6 AP7 C8 C 13 140.689 0.00 . 1 . . . . A 22 AP7 C8 . 31259 1 87 . 1 . 1 6 6 AP7 N6 N 15 89.364 0.02 . 1 . . . . A 22 AP7 N6 . 31259 1 88 . 1 . 1 6 6 AP7 HO2' H 1 4.688 0.01 . 1 . . . . A 22 AP7 HO2' . 31259 1 89 . 1 . 1 7 7 U H1' H 1 6.045 0.15 . 1 . . . . A 23 U H1' . 31259 1 90 . 1 . 1 7 7 U H3 H 1 11.327 0.00 . 1 . . . . A 23 U H3 . 31259 1 91 . 1 . 1 7 7 U H3' H 1 4.652 0.07 . 1 . . . . A 23 U H3' . 31259 1 92 . 1 . 1 7 7 U H4' H 1 4.468 0.00 . 1 . . . . A 23 U H4' . 31259 1 93 . 1 . 1 7 7 U H5 H 1 5.994 0.01 . 1 . . . . A 23 U H5 . 31259 1 94 . 1 . 1 7 7 U H5' H 1 4.210 0.01 . . . . . . A 23 U H5' . 31259 1 95 . 1 . 1 7 7 U H5'' H 1 4.212 0.00 . . . . . . A 23 U H5'' . 31259 1 96 . 1 . 1 7 7 U H6 H 1 7.943 0.09 . 1 . . . . A 23 U H6 . 31259 1 97 . 1 . 1 7 7 U C1' C 13 87.755 0.00 . 1 . . . . A 23 U C1' . 31259 1 98 . 1 . 1 7 7 U C3' C 13 73.028 2.69 . 1 . . . . A 23 U C3' . 31259 1 99 . 1 . 1 7 7 U C5 C 13 103.068 0.00 . 1 . . . . A 23 U C5 . 31259 1 100 . 1 . 1 7 7 U C5' C 13 65.704 0.00 . 1 . . . . A 23 U C5' . 31259 1 101 . 1 . 1 7 7 U C6 C 13 141.790 0.00 . 1 . . . . A 23 U C6 . 31259 1 102 . 1 . 1 7 7 U N3 N 15 158.128 0.00 . 1 . . . . A 23 U N3 . 31259 1 103 . 1 . 1 7 7 U HO2' H 1 4.530 0.00 . 1 . . . . A 23 U HO2' . 31259 1 104 . 1 . 1 8 8 CH H1' H 1 5.533 0.02 . 1 . . . . A 24 CH H1' . 31259 1 105 . 1 . 1 8 8 CH H3' H 1 4.663 0.01 . 1 . . . . A 24 CH H3' . 31259 1 106 . 1 . 1 8 8 CH H4' H 1 4.427 0.13 . 1 . . . . A 24 CH H4' . 31259 1 107 . 1 . 1 8 8 CH H5 H 1 5.909 0.02 . 1 . . . . A 24 CH H5 . 31259 1 108 . 1 . 1 8 8 CH H5' H 1 3.774 0.06 . . . . . . A 24 CH H5' . 31259 1 109 . 1 . 1 8 8 CH H5'' H 1 3.879 0.05 . . . . . . A 24 CH H5'' . 31259 1 110 . 1 . 1 8 8 CH H6 H 1 7.688 0.02 . 1 . . . . A 24 CH H6 . 31259 1 111 . 1 . 1 8 8 CH H41 H 1 11.609 1.68 . . . . . . A 24 CH H41 . 31259 1 112 . 1 . 1 8 8 CH H42 H 1 9.364 0.01 . . . . . . A 24 CH H42 . 31259 1 113 . 1 . 1 8 8 CH C1' C 13 87.857 0.00 . 1 . . . . A 24 CH C1' . 31259 1 114 . 1 . 1 8 8 CH C2' C 13 74.323 0.00 . 1 . . . . A 24 CH C2' . 31259 1 115 . 1 . 1 8 8 CH C3' C 13 76.973 0.00 . 1 . . . . A 24 CH C3' . 31259 1 116 . 1 . 1 8 8 CH C4' C 13 82.175 0.00 . 1 . . . . A 24 CH C4' . 31259 1 117 . 1 . 1 8 8 CH C5' C 13 66.183 0.01 . 1 . . . . A 24 CH C5' . 31259 1 118 . 1 . 1 8 8 CH C6 C 13 141.951 0.00 . 1 . . . . A 24 CH C6 . 31259 1 119 . 1 . 1 8 8 CH HO2' H 1 4.220 0.10 . 1 . . . . A 24 CH HO2' . 31259 1 120 . 1 . 1 9 9 U H1' H 1 4.202 0.77 . 1 . . . . A 25 U H1' . 31259 1 121 . 1 . 1 9 9 U H3 H 1 10.841 0.00 . 1 . . . . A 25 U H3 . 31259 1 122 . 1 . 1 9 9 U H3' H 1 4.395 0.01 . 1 . . . . A 25 U H3' . 31259 1 123 . 1 . 1 9 9 U H4' H 1 4.402 0.00 . 1 . . . . A 25 U H4' . 31259 1 124 . 1 . 1 9 9 U H5 H 1 6.068 0.05 . 1 . . . . A 25 U H5 . 31259 1 125 . 1 . 1 9 9 U H5' H 1 3.837 0.36 . . . . . . A 25 U H5' . 31259 1 126 . 1 . 1 9 9 U H5'' H 1 3.965 0.20 . . . . . . A 25 U H5'' . 31259 1 127 . 1 . 1 9 9 U H6 H 1 8.075 0.08 . 1 . . . . A 25 U H6 . 31259 1 128 . 1 . 1 9 9 U C1' C 13 84.748 0.00 . 1 . . . . A 25 U C1' . 31259 1 129 . 1 . 1 9 9 U C3' C 13 75.258 0.00 . 1 . . . . A 25 U C3' . 31259 1 130 . 1 . 1 9 9 U C4' C 13 82.748 0.00 . 1 . . . . A 25 U C4' . 31259 1 131 . 1 . 1 9 9 U C5 C 13 101.992 0.00 . 1 . . . . A 25 U C5 . 31259 1 132 . 1 . 1 9 9 U C5' C 13 68.022 0.00 . 1 . . . . A 25 U C5' . 31259 1 133 . 1 . 1 9 9 U C6 C 13 141.282 0.00 . 1 . . . . A 25 U C6 . 31259 1 134 . 1 . 1 9 9 U N3 N 15 159.080 0.00 . 1 . . . . A 25 U N3 . 31259 1 135 . 1 . 1 9 9 U HO2' H 1 4.623 0.05 . 1 . . . . A 25 U HO2' . 31259 1 136 . 1 . 1 10 10 G H1 H 1 12.419 0.75 . 1 . . . . A 26 G H1 . 31259 1 137 . 1 . 1 10 10 G H1' H 1 5.806 0.01 . 1 . . . . A 26 G H1' . 31259 1 138 . 1 . 1 10 10 G H3' H 1 4.843 0.00 . 1 . . . . A 26 G H3' . 31259 1 139 . 1 . 1 10 10 G H4' H 1 4.581 0.00 . 1 . . . . A 26 G H4' . 31259 1 140 . 1 . 1 10 10 G H5' H 1 4.401 0.00 . . . . . . A 26 G H5' . 31259 1 141 . 1 . 1 10 10 G H5'' H 1 4.173 0.00 . . . . . . A 26 G H5'' . 31259 1 142 . 1 . 1 10 10 G H8 H 1 7.829 0.01 . 1 . . . . A 26 G H8 . 31259 1 143 . 1 . 1 10 10 G H21 H 1 8.241 0.01 . . . . . . A 26 G H21 . 31259 1 144 . 1 . 1 10 10 G H22 H 1 6.973 0.01 . . . . . . A 26 G H22 . 31259 1 145 . 1 . 1 10 10 G C1' C 13 91.509 0.00 . 1 . . . . A 26 G C1' . 31259 1 146 . 1 . 1 10 10 G C2' C 13 72.217 0.00 . 1 . . . . A 26 G C2' . 31259 1 147 . 1 . 1 10 10 G C3' C 13 69.586 0.00 . 1 . . . . A 26 G C3' . 31259 1 148 . 1 . 1 10 10 G C8 C 13 135.982 0.00 . 1 . . . . A 26 G C8 . 31259 1 149 . 1 . 1 10 10 G N1 N 15 146.079 0.00 . 1 . . . . A 26 G N1 . 31259 1 150 . 1 . 1 10 10 G N2 N 15 76.946 0.04 . 1 . . . . A 26 G N2 . 31259 1 151 . 1 . 1 10 10 G HO2' H 1 5.075 0.01 . 1 . . . . A 26 G HO2' . 31259 1 152 . 1 . 1 11 11 A H1' H 1 6.180 0.01 . 1 . . . . A 27 A H1' . 31259 1 153 . 1 . 1 11 11 A H2 H 1 7.598 0.02 . 1 . . . . A 27 A H2 . 31259 1 154 . 1 . 1 11 11 A H2' H 1 4.786 0.04 . 1 . . . . A 27 A H2' . 31259 1 155 . 1 . 1 11 11 A H3' H 1 4.801 0.01 . 1 . . . . A 27 A H3' . 31259 1 156 . 1 . 1 11 11 A H4' H 1 4.588 0.01 . 1 . . . . A 27 A H4' . 31259 1 157 . 1 . 1 11 11 A H5' H 1 4.266 0.16 . . . . . . A 27 A H5' . 31259 1 158 . 1 . 1 11 11 A H5'' H 1 4.256 0.23 . . . . . . A 27 A H5'' . 31259 1 159 . 1 . 1 11 11 A H8 H 1 7.838 0.01 . 1 . . . . A 27 A H8 . 31259 1 160 . 1 . 1 11 11 A H61 H 1 9.744 1.27 . . . . . . A 27 A H61 . 31259 1 161 . 1 . 1 11 11 A H62 H 1 8.707 0.58 . . . . . . A 27 A H62 . 31259 1 162 . 1 . 1 11 11 A C1' C 13 90.820 0.00 . 1 . . . . A 27 A C1' . 31259 1 163 . 1 . 1 11 11 A C2 C 13 150.928 0.00 . 1 . . . . A 27 A C2 . 31259 1 164 . 1 . 1 11 11 A C2' C 13 73.404 0.00 . 1 . . . . A 27 A C2' . 31259 1 165 . 1 . 1 11 11 A C3' C 13 69.757 0.00 . 1 . . . . A 27 A C3' . 31259 1 166 . 1 . 1 11 11 A C4' C 13 79.575 0.00 . 1 . . . . A 27 A C4' . 31259 1 167 . 1 . 1 11 11 A C5' C 13 61.484 0.01 . 1 . . . . A 27 A C5' . 31259 1 168 . 1 . 1 11 11 A C8 C 13 136.964 0.00 . 1 . . . . A 27 A C8 . 31259 1 169 . 1 . 1 11 11 A HO2' H 1 6.774 0.01 . 1 . . . . A 27 A HO2' . 31259 1 170 . 1 . 1 12 12 G H1 H 1 13.302 0.02 . 1 . . . . A 28 G H1 . 31259 1 171 . 1 . 1 12 12 G H1' H 1 5.760 0.01 . 1 . . . . A 28 G H1' . 31259 1 172 . 1 . 1 12 12 G H3' H 1 4.290 0.00 . 1 . . . . A 28 G H3' . 31259 1 173 . 1 . 1 12 12 G H4' H 1 4.428 0.01 . 1 . . . . A 28 G H4' . 31259 1 174 . 1 . 1 12 12 G H5' H 1 4.034 0.00 . . . . . . A 28 G H5' . 31259 1 175 . 1 . 1 12 12 G H8 H 1 7.052 0.00 . 1 . . . . A 28 G H8 . 31259 1 176 . 1 . 1 12 12 G H21 H 1 8.213 0.89 . . . . . . A 28 G H21 . 31259 1 177 . 1 . 1 12 12 G H22 H 1 6.217 0.25 . . . . . . A 28 G H22 . 31259 1 178 . 1 . 1 12 12 G C1' C 13 90.268 0.00 . 1 . . . . A 28 G C1' . 31259 1 179 . 1 . 1 12 12 G C2' C 13 72.823 0.00 . 1 . . . . A 28 G C2' . 31259 1 180 . 1 . 1 12 12 G C3' C 13 70.848 0.00 . 1 . . . . A 28 G C3' . 31259 1 181 . 1 . 1 12 12 G C4' C 13 79.198 0.00 . 1 . . . . A 28 G C4' . 31259 1 182 . 1 . 1 12 12 G C8 C 13 132.755 0.00 . 1 . . . . A 28 G C8 . 31259 1 183 . 1 . 1 12 12 G N1 N 15 148.411 0.00 . 1 . . . . A 28 G N1 . 31259 1 184 . 1 . 1 12 12 G N2 N 15 74.533 0.04 . 1 . . . . A 28 G N2 . 31259 1 185 . 1 . 1 12 12 G HO2' H 1 4.513 0.03 . 1 . . . . A 28 G HO2' . 31259 1 186 . 1 . 1 13 13 C H1' H 1 5.534 0.01 . 1 . . . . A 29 C H1' . 31259 1 187 . 1 . 1 13 13 C H3' H 1 4.244 0.09 . 1 . . . . A 29 C H3' . 31259 1 188 . 1 . 1 13 13 C H4' H 1 4.436 0.01 . 1 . . . . A 29 C H4' . 31259 1 189 . 1 . 1 13 13 C H5 H 1 5.233 0.04 . 1 . . . . A 29 C H5 . 31259 1 190 . 1 . 1 13 13 C H5' H 1 4.127 0.17 . . . . . . A 29 C H5' . 31259 1 191 . 1 . 1 13 13 C H5'' H 1 4.406 0.21 . . . . . . A 29 C H5'' . 31259 1 192 . 1 . 1 13 13 C H6 H 1 7.162 0.09 . 1 . . . . A 29 C H6 . 31259 1 193 . 1 . 1 13 13 C H41 H 1 8.645 0.01 . . . . . . A 29 C H41 . 31259 1 194 . 1 . 1 13 13 C H42 H 1 6.896 0.03 . . . . . . A 29 C H42 . 31259 1 195 . 1 . 1 13 13 C C1' C 13 92.062 0.00 . 1 . . . . A 29 C C1' . 31259 1 196 . 1 . 1 13 13 C C2' C 13 73.072 0.00 . 1 . . . . A 29 C C2' . 31259 1 197 . 1 . 1 13 13 C C3' C 13 69.425 0.00 . 1 . . . . A 29 C C3' . 31259 1 198 . 1 . 1 13 13 C C4' C 13 80.660 1.33 . 1 . . . . A 29 C C4' . 31259 1 199 . 1 . 1 13 13 C C5 C 13 94.633 0.00 . 1 . . . . A 29 C C5 . 31259 1 200 . 1 . 1 13 13 C C5' C 13 63.733 0.02 . 1 . . . . A 29 C C5' . 31259 1 201 . 1 . 1 13 13 C C6 C 13 138.567 0.00 . 1 . . . . A 29 C C6 . 31259 1 202 . 1 . 1 13 13 C N4 N 15 100.188 0.02 . 1 . . . . A 29 C N4 . 31259 1 203 . 1 . 1 13 13 C HO2' H 1 4.639 0.05 . 1 . . . . A 29 C HO2' . 31259 1 204 . 1 . 1 14 14 C H1' H 1 5.752 0.00 . 1 . . . . A 30 C H1' . 31259 1 205 . 1 . 1 14 14 C H3' H 1 4.429 0.13 . 1 . . . . A 30 C H3' . 31259 1 206 . 1 . 1 14 14 C H4' H 1 4.382 0.00 . 1 . . . . A 30 C H4' . 31259 1 207 . 1 . 1 14 14 C H5 H 1 5.657 0.01 . 1 . . . . A 30 C H5 . 31259 1 208 . 1 . 1 14 14 C H5' H 1 4.232 0.16 . . . . . . A 30 C H5' . 31259 1 209 . 1 . 1 14 14 C H5'' H 1 4.128 0.08 . . . . . . A 30 C H5'' . 31259 1 210 . 1 . 1 14 14 C H6 H 1 7.871 0.05 . 1 . . . . A 30 C H6 . 31259 1 211 . 1 . 1 14 14 C H41 H 1 8.192 0.01 . . . . . . A 30 C H41 . 31259 1 212 . 1 . 1 14 14 C H42 H 1 7.065 0.02 . . . . . . A 30 C H42 . 31259 1 213 . 1 . 1 14 14 C C1' C 13 90.947 0.00 . 1 . . . . A 30 C C1' . 31259 1 214 . 1 . 1 14 14 C C2' C 13 73.072 0.00 . 1 . . . . A 30 C C2' . 31259 1 215 . 1 . 1 14 14 C C3' C 13 69.992 0.00 . 1 . . . . A 30 C C3' . 31259 1 216 . 1 . 1 14 14 C C5 C 13 96.022 0.00 . 1 . . . . A 30 C C5 . 31259 1 217 . 1 . 1 14 14 C C5' C 13 62.486 0.01 . 1 . . . . A 30 C C5' . 31259 1 218 . 1 . 1 14 14 C C6 C 13 138.333 0.00 . 1 . . . . A 30 C C6 . 31259 1 219 . 1 . 1 14 14 C N4 N 15 96.836 0.00 . 1 . . . . A 30 C N4 . 31259 1 220 . 1 . 1 14 14 C HO2' H 1 4.391 0.07 . 1 . . . . A 30 C HO2' . 31259 1 221 . 1 . 1 15 15 U H1' H 1 5.686 0.22 . 1 . . . . A 31 U H1' . 31259 1 222 . 1 . 1 15 15 U H4' H 1 4.333 0.00 . 1 . . . . A 31 U H4' . 31259 1 223 . 1 . 1 15 15 U H5 H 1 5.712 0.17 . 1 . . . . A 31 U H5 . 31259 1 224 . 1 . 1 15 15 U H5' H 1 3.819 0.19 . . . . . . A 31 U H5' . 31259 1 225 . 1 . 1 15 15 U H6 H 1 7.783 0.25 . 1 . . . . A 31 U H6 . 31259 1 226 . 1 . 1 15 15 U C1' C 13 89.534 0.00 . 1 . . . . A 31 U C1' . 31259 1 227 . 1 . 1 15 15 U C2' C 13 72.940 0.00 . 1 . . . . A 31 U C2' . 31259 1 228 . 1 . 1 15 15 U C4' C 13 79.120 0.00 . 1 . . . . A 31 U C4' . 31259 1 229 . 1 . 1 15 15 U C5 C 13 102.246 0.00 . 1 . . . . A 31 U C5 . 31259 1 230 . 1 . 1 15 15 U C6 C 13 139.815 0.00 . 1 . . . . A 31 U C6 . 31259 1 231 . 1 . 1 15 15 U HO2' H 1 4.122 0.01 . 1 . . . . A 31 U HO2' . 31259 1 232 . 1 . 1 16 16 G H1 H 1 10.874 0.00 . 1 . . . . A 32 G H1 . 31259 1 233 . 1 . 1 16 16 G H1' H 1 5.483 0.01 . 1 . . . . A 32 G H1' . 31259 1 234 . 1 . 1 16 16 G H3' H 1 4.346 0.00 . 1 . . . . A 32 G H3' . 31259 1 235 . 1 . 1 16 16 G H4' H 1 4.145 0.06 . 1 . . . . A 32 G H4' . 31259 1 236 . 1 . 1 16 16 G H5' H 1 3.906 0.01 . . . . . . A 32 G H5' . 31259 1 237 . 1 . 1 16 16 G H5'' H 1 4.052 0.00 . . . . . . A 32 G H5'' . 31259 1 238 . 1 . 1 16 16 G H8 H 1 7.751 0.01 . 1 . . . . A 32 G H8 . 31259 1 239 . 1 . 1 16 16 G H22 H 1 6.355 0.00 . . . . . . A 32 G H22 . 31259 1 240 . 1 . 1 16 16 G C1' C 13 87.207 0.00 . 1 . . . . A 32 G C1' . 31259 1 241 . 1 . 1 16 16 G C4' C 13 82.719 0.00 . 1 . . . . A 32 G C4' . 31259 1 242 . 1 . 1 16 16 G C8 C 13 137.937 0.00 . 1 . . . . A 32 G C8 . 31259 1 243 . 1 . 1 16 16 G N1 N 15 146.287 0.00 . 1 . . . . A 32 G N1 . 31259 1 244 . 1 . 1 16 16 G N2 N 15 72.974 0.00 . 1 . . . . A 32 G N2 . 31259 1 245 . 1 . 1 16 16 G HO2' H 1 4.522 0.00 . 1 . . . . A 32 G HO2' . 31259 1 246 . 1 . 1 17 17 G H1 H 1 10.656 0.00 . 1 . . . . A 33 G H1 . 31259 1 247 . 1 . 1 17 17 G H1' H 1 5.633 0.01 . 1 . . . . A 33 G H1' . 31259 1 248 . 1 . 1 17 17 G H3' H 1 4.659 0.00 . 1 . . . . A 33 G H3' . 31259 1 249 . 1 . 1 17 17 G H4' H 1 4.111 0.01 . 1 . . . . A 33 G H4' . 31259 1 250 . 1 . 1 17 17 G H5' H 1 3.907 0.01 . . . . . . A 33 G H5' . 31259 1 251 . 1 . 1 17 17 G H5'' H 1 4.116 0.00 . . . . . . A 33 G H5'' . 31259 1 252 . 1 . 1 17 17 G H8 H 1 7.749 0.01 . 1 . . . . A 33 G H8 . 31259 1 253 . 1 . 1 17 17 G H22 H 1 6.288 0.00 . . . . . . A 33 G H22 . 31259 1 254 . 1 . 1 17 17 G C1' C 13 87.305 0.00 . 1 . . . . A 33 G C1' . 31259 1 255 . 1 . 1 17 17 G C2' C 13 71.180 0.00 . 1 . . . . A 33 G C2' . 31259 1 256 . 1 . 1 17 17 G C4' C 13 82.328 0.00 . 1 . . . . A 33 G C4' . 31259 1 257 . 1 . 1 17 17 G C5' C 13 64.971 0.00 . 1 . . . . A 33 G C5' . 31259 1 258 . 1 . 1 17 17 G C8 C 13 137.976 0.00 . 1 . . . . A 33 G C8 . 31259 1 259 . 1 . 1 17 17 G N1 N 15 146.336 0.00 . 1 . . . . A 33 G N1 . 31259 1 260 . 1 . 1 17 17 G N2 N 15 73.197 0.00 . 1 . . . . A 33 G N2 . 31259 1 261 . 1 . 1 17 17 G HO2' H 1 4.753 0.01 . 1 . . . . A 33 G HO2' . 31259 1 262 . 1 . 1 18 18 G H1 H 1 12.881 0.91 . 1 . . . . A 34 G H1 . 31259 1 263 . 1 . 1 18 18 G H1' H 1 5.843 0.02 . 1 . . . . A 34 G H1' . 31259 1 264 . 1 . 1 18 18 G H3' H 1 4.842 0.00 . 1 . . . . A 34 G H3' . 31259 1 265 . 1 . 1 18 18 G H4' H 1 4.548 0.17 . 1 . . . . A 34 G H4' . 31259 1 266 . 1 . 1 18 18 G H5' H 1 4.226 0.00 . . . . . . A 34 G H5' . 31259 1 267 . 1 . 1 18 18 G H5'' H 1 4.089 0.00 . . . . . . A 34 G H5'' . 31259 1 268 . 1 . 1 18 18 G H8 H 1 8.091 0.01 . 1 . . . . A 34 G H8 . 31259 1 269 . 1 . 1 18 18 G C1' C 13 89.945 0.00 . 1 . . . . A 34 G C1' . 31259 1 270 . 1 . 1 18 18 G C2' C 13 71.473 0.00 . 1 . . . . A 34 G C2' . 31259 1 271 . 1 . 1 18 18 G C3' C 13 75.326 0.00 . 1 . . . . A 34 G C3' . 31259 1 272 . 1 . 1 18 18 G C8 C 13 136.823 0.00 . 1 . . . . A 34 G C8 . 31259 1 273 . 1 . 1 18 18 G N1 N 15 144.138 0.00 . 1 . . . . A 34 G N1 . 31259 1 274 . 1 . 1 18 18 G HO2' H 1 4.964 0.00 . 1 . . . . A 34 G HO2' . 31259 1 275 . 1 . 1 19 19 A H1' H 1 5.970 0.02 . 1 . . . . A 35 A H1' . 31259 1 276 . 1 . 1 19 19 A H2 H 1 8.339 0.00 . 1 . . . . A 35 A H2 . 31259 1 277 . 1 . 1 19 19 A H3' H 1 4.898 0.00 . 1 . . . . A 35 A H3' . 31259 1 278 . 1 . 1 19 19 A H4' H 1 4.631 0.00 . 1 . . . . A 35 A H4' . 31259 1 279 . 1 . 1 19 19 A H5' H 1 4.471 0.00 . . . . . . A 35 A H5' . 31259 1 280 . 1 . 1 19 19 A H5'' H 1 4.290 0.00 . . . . . . A 35 A H5'' . 31259 1 281 . 1 . 1 19 19 A H61 H 1 8.646 0.00 . . . . . . A 35 A H61 . 31259 1 282 . 1 . 1 19 19 A C1' C 13 89.295 0.00 . 1 . . . . A 35 A C1' . 31259 1 283 . 1 . 1 19 19 A C3' C 13 73.121 0.00 . 1 . . . . A 35 A C3' . 31259 1 284 . 1 . 1 19 19 A C4' C 13 81.687 0.00 . 1 . . . . A 35 A C4' . 31259 1 285 . 1 . 1 19 19 A C5' C 13 66.130 0.01 . 1 . . . . A 35 A C5' . 31259 1 286 . 1 . 1 19 19 A HO2' H 1 4.838 0.03 . 1 . . . . A 35 A HO2' . 31259 1 287 . 1 . 1 20 20 G H1 H 1 13.639 0.02 . 1 . . . . A 36 G H1 . 31259 1 288 . 1 . 1 20 20 G H1' H 1 5.645 0.12 . 1 . . . . A 36 G H1' . 31259 1 289 . 1 . 1 20 20 G H3' H 1 4.478 0.00 . 1 . . . . A 36 G H3' . 31259 1 290 . 1 . 1 20 20 G H4' H 1 4.387 0.00 . 1 . . . . A 36 G H4' . 31259 1 291 . 1 . 1 20 20 G H8 H 1 7.168 0.97 . 1 . . . . A 36 G H8 . 31259 1 292 . 1 . 1 20 20 G H21 H 1 9.237 0.24 . . . . . . A 36 G H21 . 31259 1 293 . 1 . 1 20 20 G H22 H 1 6.459 0.00 . . . . . . A 36 G H22 . 31259 1 294 . 1 . 1 20 20 G C1' C 13 90.507 0.00 . 1 . . . . A 36 G C1' . 31259 1 295 . 1 . 1 20 20 G C2' C 13 72.921 0.00 . 1 . . . . A 36 G C2' . 31259 1 296 . 1 . 1 20 20 G C8 C 13 134.085 0.00 . 1 . . . . A 36 G C8 . 31259 1 297 . 1 . 1 20 20 G N1 N 15 147.752 0.00 . 1 . . . . A 36 G N1 . 31259 1 298 . 1 . 1 20 20 G HO2' H 1 4.622 0.02 . 1 . . . . A 36 G HO2' . 31259 1 299 . 1 . 1 21 21 C H1' H 1 5.516 0.01 . 1 . . . . A 37 C H1' . 31259 1 300 . 1 . 1 21 21 C H2' H 1 4.457 0.02 . 1 . . . . A 37 C H2' . 31259 1 301 . 1 . 1 21 21 C H3' H 1 4.429 0.12 . 1 . . . . A 37 C H3' . 31259 1 302 . 1 . 1 21 21 C H4' H 1 4.317 0.12 . 1 . . . . A 37 C H4' . 31259 1 303 . 1 . 1 21 21 C H5 H 1 5.405 0.01 . 1 . . . . A 37 C H5 . 31259 1 304 . 1 . 1 21 21 C H5' H 1 4.136 0.18 . . . . . . A 37 C H5' . 31259 1 305 . 1 . 1 21 21 C H5'' H 1 4.233 0.21 . . . . . . A 37 C H5'' . 31259 1 306 . 1 . 1 21 21 C H6 H 1 7.186 0.32 . 1 . . . . A 37 C H6 . 31259 1 307 . 1 . 1 21 21 C H41 H 1 9.008 0.00 . . . . . . A 37 C H41 . 31259 1 308 . 1 . 1 21 21 C H42 H 1 6.937 0.01 . . . . . . A 37 C H42 . 31259 1 309 . 1 . 1 21 21 C C1' C 13 92.560 0.00 . 1 . . . . A 37 C C1' . 31259 1 310 . 1 . 1 21 21 C C2' C 13 72.896 0.00 . 1 . . . . A 37 C C2' . 31259 1 311 . 1 . 1 21 21 C C3' C 13 70.725 0.00 . 1 . . . . A 37 C C3' . 31259 1 312 . 1 . 1 21 21 C C4' C 13 79.545 0.00 . 1 . . . . A 37 C C4' . 31259 1 313 . 1 . 1 21 21 C C5 C 13 95.014 0.00 . 1 . . . . A 37 C C5 . 31259 1 314 . 1 . 1 21 21 C C5' C 13 62.380 0.12 . 1 . . . . A 37 C C5' . 31259 1 315 . 1 . 1 21 21 C C6 C 13 138.059 0.00 . 1 . . . . A 37 C C6 . 31259 1 316 . 1 . 1 21 21 C N4 N 15 98.294 0.02 . 1 . . . . A 37 C N4 . 31259 1 317 . 1 . 1 21 21 C HO2' H 1 6.732 0.01 . 1 . . . . A 37 C HO2' . 31259 1 318 . 1 . 1 22 22 U H1' H 1 5.575 0.00 . 1 . . . . A 38 U H1' . 31259 1 319 . 1 . 1 22 22 U H3 H 1 14.139 0.01 . 1 . . . . A 38 U H3 . 31259 1 320 . 1 . 1 22 22 U H3' H 1 4.622 0.01 . 1 . . . . A 38 U H3' . 31259 1 321 . 1 . 1 22 22 U H4' H 1 4.485 0.00 . 1 . . . . A 38 U H4' . 31259 1 322 . 1 . 1 22 22 U H5 H 1 5.466 0.03 . 1 . . . . A 38 U H5 . 31259 1 323 . 1 . 1 22 22 U H5' H 1 4.118 0.01 . . . . . . A 38 U H5' . 31259 1 324 . 1 . 1 22 22 U H6 H 1 7.982 0.00 . 1 . . . . A 38 U H6 . 31259 1 325 . 1 . 1 22 22 U C1' C 13 91.451 0.00 . 1 . . . . A 38 U C1' . 31259 1 326 . 1 . 1 22 22 U C2' C 13 75.287 0.00 . 1 . . . . A 38 U C2' . 31259 1 327 . 1 . 1 22 22 U C3' C 13 70.007 0.00 . 1 . . . . A 38 U C3' . 31259 1 328 . 1 . 1 22 22 U C5 C 13 100.799 0.00 . 1 . . . . A 38 U C5 . 31259 1 329 . 1 . 1 22 22 U C5' C 13 65.958 0.00 . 1 . . . . A 38 U C5' . 31259 1 330 . 1 . 1 22 22 U C6 C 13 139.678 0.00 . 1 . . . . A 38 U C6 . 31259 1 331 . 1 . 1 22 22 U N3 N 15 163.183 0.00 . 1 . . . . A 38 U N3 . 31259 1 332 . 1 . 1 22 22 U HO2' H 1 4.397 0.03 . 1 . . . . A 38 U HO2' . 31259 1 333 . 1 . 1 23 23 C H1' H 1 5.714 0.02 . 1 . . . . A 39 C H1' . 31259 1 334 . 1 . 1 23 23 C H3' H 1 4.475 0.01 . 1 . . . . A 39 C H3' . 31259 1 335 . 1 . 1 23 23 C H4' H 1 4.389 0.00 . 1 . . . . A 39 C H4' . 31259 1 336 . 1 . 1 23 23 C H5 H 1 5.645 0.02 . 1 . . . . A 39 C H5 . 31259 1 337 . 1 . 1 23 23 C H5' H 1 4.165 0.01 . . . . . . A 39 C H5' . 31259 1 338 . 1 . 1 23 23 C H5'' H 1 4.175 0.00 . . . . . . A 39 C H5'' . 31259 1 339 . 1 . 1 23 23 C H6 H 1 8.124 0.09 . 1 . . . . A 39 C H6 . 31259 1 340 . 1 . 1 23 23 C H41 H 1 8.492 0.05 . . . . . . A 39 C H41 . 31259 1 341 . 1 . 1 23 23 C H42 H 1 7.116 0.08 . . . . . . A 39 C H42 . 31259 1 342 . 1 . 1 23 23 C C1' C 13 90.898 0.00 . 1 . . . . A 39 C C1' . 31259 1 343 . 1 . 1 23 23 C C2' C 13 73.228 0.00 . 1 . . . . A 39 C C2' . 31259 1 344 . 1 . 1 23 23 C C3' C 13 69.405 0.00 . 1 . . . . A 39 C C3' . 31259 1 345 . 1 . 1 23 23 C C5 C 13 94.672 0.00 . 1 . . . . A 39 C C5 . 31259 1 346 . 1 . 1 23 23 C C5' C 13 62.859 0.00 . 1 . . . . A 39 C C5' . 31259 1 347 . 1 . 1 23 23 C C6 C 13 139.946 0.00 . 1 . . . . A 39 C C6 . 31259 1 348 . 1 . 1 23 23 C N4 N 15 98.594 0.04 . 1 . . . . A 39 C N4 . 31259 1 349 . 1 . 1 23 23 C HO2' H 1 4.620 0.02 . 1 . . . . A 39 C HO2' . 31259 1 350 . 1 . 1 24 24 U H1' H 1 5.408 0.02 . 1 . . . . A 40 U H1' . 31259 1 351 . 1 . 1 24 24 U H3' H 1 4.460 0.00 . 1 . . . . A 40 U H3' . 31259 1 352 . 1 . 1 24 24 U H4' H 1 4.260 0.00 . 1 . . . . A 40 U H4' . 31259 1 353 . 1 . 1 24 24 U H5 H 1 5.658 0.03 . 1 . . . . A 40 U H5 . 31259 1 354 . 1 . 1 24 24 U H6 H 1 7.596 0.01 . 1 . . . . A 40 U H6 . 31259 1 355 . 1 . 1 24 24 U C1' C 13 91.803 0.00 . 1 . . . . A 40 U C1' . 31259 1 356 . 1 . 1 24 24 U C2' C 13 72.451 0.00 . 1 . . . . A 40 U C2' . 31259 1 357 . 1 . 1 24 24 U C5 C 13 102.148 0.00 . 1 . . . . A 40 U C5 . 31259 1 358 . 1 . 1 24 24 U HO2' H 1 4.423 0.01 . 1 . . . . A 40 U HO2' . 31259 1 359 . 1 . 1 25 25 C H1' H 1 4.828 0.01 . 1 . . . . A 41 C H1' . 31259 1 360 . 1 . 1 25 25 C H3' H 1 4.472 0.00 . 1 . . . . A 41 C H3' . 31259 1 361 . 1 . 1 25 25 C H4' H 1 4.316 0.00 . 1 . . . . A 41 C H4' . 31259 1 362 . 1 . 1 25 25 C H5 H 1 5.697 0.02 . 1 . . . . A 41 C H5 . 31259 1 363 . 1 . 1 25 25 C H5' H 1 4.052 0.00 . . . . . . A 41 C H5' . 31259 1 364 . 1 . 1 25 25 C H6 H 1 7.859 0.01 . 1 . . . . A 41 C H6 . 31259 1 365 . 1 . 1 25 25 C H41 H 1 8.224 0.08 . . . . . . A 41 C H41 . 31259 1 366 . 1 . 1 25 25 C H42 H 1 6.885 0.00 . . . . . . A 41 C H42 . 31259 1 367 . 1 . 1 25 25 C C1' C 13 91.817 0.00 . 1 . . . . A 41 C C1' . 31259 1 368 . 1 . 1 25 25 C C2' C 13 72.515 0.00 . 1 . . . . A 41 C C2' . 31259 1 369 . 1 . 1 25 25 C C3' C 13 69.532 0.00 . 1 . . . . A 41 C C3' . 31259 1 370 . 1 . 1 25 25 C C4' C 13 79.496 0.00 . 1 . . . . A 41 C C4' . 31259 1 371 . 1 . 1 25 25 C C5 C 13 95.963 0.00 . 1 . . . . A 41 C C5 . 31259 1 372 . 1 . 1 25 25 C C6 C 13 138.763 0.00 . 1 . . . . A 41 C C6 . 31259 1 373 . 1 . 1 25 25 C N4 N 15 99.403 0.00 . 1 . . . . A 41 C N4 . 31259 1 374 . 1 . 1 25 25 C HO2' H 1 3.979 0.03 . 1 . . . . A 41 C HO2' . 31259 1 375 . 1 . 1 26 26 U H1' H 1 5.356 0.00 . 1 . . . . A 42 U H1' . 31259 1 376 . 1 . 1 26 26 U H3 H 1 13.741 0.01 . 1 . . . . A 42 U H3 . 31259 1 377 . 1 . 1 26 26 U H3' H 1 4.587 0.00 . 1 . . . . A 42 U H3' . 31259 1 378 . 1 . 1 26 26 U H4' H 1 4.330 0.00 . 1 . . . . A 42 U H4' . 31259 1 379 . 1 . 1 26 26 U H5 H 1 5.483 0.02 . 1 . . . . A 42 U H5 . 31259 1 380 . 1 . 1 26 26 U H5' H 1 4.051 0.00 . . . . . . A 42 U H5' . 31259 1 381 . 1 . 1 26 26 U H6 H 1 7.908 0.01 . 1 . . . . A 42 U H6 . 31259 1 382 . 1 . 1 26 26 U C1' C 13 90.375 0.00 . 1 . . . . A 42 U C1' . 31259 1 383 . 1 . 1 26 26 U C5 C 13 100.564 0.00 . 1 . . . . A 42 U C5 . 31259 1 384 . 1 . 1 26 26 U C6 C 13 139.189 0.00 . 1 . . . . A 42 U C6 . 31259 1 385 . 1 . 1 26 26 U N3 N 15 161.888 0.00 . 1 . . . . A 42 U N3 . 31259 1 386 . 1 . 1 26 26 U HO2' H 1 4.426 0.00 . 1 . . . . A 42 U HO2' . 31259 1 387 . 1 . 1 27 27 G H1 H 1 12.453 0.01 . 1 . . . . A 43 G H1 . 31259 1 388 . 1 . 1 27 27 G H1' H 1 5.727 0.02 . 1 . . . . A 43 G H1' . 31259 1 389 . 1 . 1 27 27 G H3' H 1 4.599 0.00 . 1 . . . . A 43 G H3' . 31259 1 390 . 1 . 1 27 27 G H4' H 1 4.498 0.00 . 1 . . . . A 43 G H4' . 31259 1 391 . 1 . 1 27 27 G H5' H 1 4.043 0.00 . . . . . . A 43 G H5' . 31259 1 392 . 1 . 1 27 27 G H5'' H 1 4.101 0.00 . . . . . . A 43 G H5'' . 31259 1 393 . 1 . 1 27 27 G H8 H 1 7.688 0.02 . 1 . . . . A 43 G H8 . 31259 1 394 . 1 . 1 27 27 G H22 H 1 6.004 0.01 . . . . . . A 43 G H22 . 31259 1 395 . 1 . 1 27 27 G C1' C 13 90.052 0.00 . 1 . . . . A 43 G C1' . 31259 1 396 . 1 . 1 27 27 G C8 C 13 134.358 0.00 . 1 . . . . A 43 G C8 . 31259 1 397 . 1 . 1 27 27 G N1 N 15 147.275 0.00 . 1 . . . . A 43 G N1 . 31259 1 398 . 1 . 1 27 27 G HO2' H 1 4.400 0.00 . 1 . . . . A 43 G HO2' . 31259 1 399 . 1 . 1 28 28 C H1' H 1 5.438 0.01 . 1 . . . . A 44 C H1' . 31259 1 400 . 1 . 1 28 28 C H2' H 1 4.200 0.01 . 1 . . . . A 44 C H2' . 31259 1 401 . 1 . 1 28 28 C H3' H 1 4.519 0.00 . 1 . . . . A 44 C H3' . 31259 1 402 . 1 . 1 28 28 C H4' H 1 4.585 0.10 . 1 . . . . A 44 C H4' . 31259 1 403 . 1 . 1 28 28 C H5 H 1 5.196 0.01 . 1 . . . . A 44 C H5 . 31259 1 404 . 1 . 1 28 28 C H5' H 1 4.037 0.01 . . . . . . A 44 C H5' . 31259 1 405 . 1 . 1 28 28 C H5'' H 1 4.397 0.00 . . . . . . A 44 C H5'' . 31259 1 406 . 1 . 1 28 28 C H6 H 1 7.673 0.01 . 1 . . . . A 44 C H6 . 31259 1 407 . 1 . 1 28 28 C H41 H 1 8.464 0.02 . . . . . . A 44 C H41 . 31259 1 408 . 1 . 1 28 28 C H42 H 1 6.771 0.03 . . . . . . A 44 C H42 . 31259 1 409 . 1 . 1 28 28 C C1' C 13 91.475 0.00 . 1 . . . . A 44 C C1' . 31259 1 410 . 1 . 1 28 28 C C2' C 13 73.061 0.00 . 1 . . . . A 44 C C2' . 31259 1 411 . 1 . 1 28 28 C C5 C 13 94.134 0.00 . 1 . . . . A 44 C C5 . 31259 1 412 . 1 . 1 28 28 C C6 C 13 139.028 0.00 . 1 . . . . A 44 C C6 . 31259 1 413 . 1 . 1 28 28 C N4 N 15 99.326 0.02 . 1 . . . . A 44 C N4 . 31259 1 414 . 1 . 1 28 28 C HO2' H 1 6.792 0.00 . 1 . . . . A 44 C HO2' . 31259 1 415 . 1 . 1 29 29 C H1' H 1 5.695 0.02 . 1 . . . . A 45 C H1' . 31259 1 416 . 1 . 1 29 29 C H3' H 1 4.452 0.00 . 1 . . . . A 45 C H3' . 31259 1 417 . 1 . 1 29 29 C H4' H 1 4.144 0.01 . 1 . . . . A 45 C H4' . 31259 1 418 . 1 . 1 29 29 C H5 H 1 5.469 0.02 . 1 . . . . A 45 C H5 . 31259 1 419 . 1 . 1 29 29 C H5' H 1 4.012 0.00 . . . . . . A 45 C H5' . 31259 1 420 . 1 . 1 29 29 C H5'' H 1 4.136 0.00 . . . . . . A 45 C H5'' . 31259 1 421 . 1 . 1 29 29 C H6 H 1 7.643 0.02 . 1 . . . . A 45 C H6 . 31259 1 422 . 1 . 1 29 29 C H41 H 1 8.373 0.01 . . . . . . A 45 C H41 . 31259 1 423 . 1 . 1 29 29 C H42 H 1 7.004 0.01 . . . . . . A 45 C H42 . 31259 1 424 . 1 . 1 29 29 C C1' C 13 90.301 0.00 . 1 . . . . A 45 C C1' . 31259 1 425 . 1 . 1 29 29 C C2' C 13 74.940 0.00 . 1 . . . . A 45 C C2' . 31259 1 426 . 1 . 1 29 29 C C4' C 13 74.020 . . 1 . . . . A 45 C C4' . 31259 1 427 . 1 . 1 29 29 C C5 C 13 95.141 0.00 . 1 . . . . A 45 C C5 . 31259 1 428 . 1 . 1 29 29 C C6 C 13 139.623 0.00 . 1 . . . . A 45 C C6 . 31259 1 429 . 1 . 1 29 29 C N4 N 15 97.387 0.00 . 1 . . . . A 45 C N4 . 31259 1 430 . 1 . 1 29 29 C HO2' H 1 3.961 0.02 . 1 . . . . A 45 C HO2' . 31259 1 431 . 2 . 2 1 1 LQQ H011 H 1 2.651 0.00 . 1 . . . . A 101 LQQ H011 . 31259 1 432 . 2 . 2 1 1 LQQ H012 H 1 2.651 0.02 . 1 . . . . A 101 LQQ H012 . 31259 1 433 . 2 . 2 1 1 LQQ H013 H 1 2.651 0.00 . 1 . . . . A 101 LQQ H013 . 31259 1 434 . 2 . 2 1 1 LQQ H04 H 1 9.544 0.02 . 1 . . . . A 101 LQQ H04 . 31259 1 435 . 2 . 2 1 1 LQQ H051 H 1 1.790 0.00 . 1 . . . . A 101 LQQ H051 . 31259 1 436 . 2 . 2 1 1 LQQ H052 H 1 1.790 0.02 . 1 . . . . A 101 LQQ H052 . 31259 1 437 . 2 . 2 1 1 LQQ H053 H 1 1.790 0.00 . 1 . . . . A 101 LQQ H053 . 31259 1 438 . 2 . 2 1 1 LQQ H07 H 1 8.643 0.00 . 1 . . . . A 101 LQQ H07 . 31259 1 439 . 2 . 2 1 1 LQQ H1 H 1 8.193 0.02 . 1 . . . . A 101 LQQ H1 . 31259 1 440 . 2 . 2 1 1 LQQ H10 H 1 5.552 0.02 . 1 . . . . A 101 LQQ H10 . 31259 1 441 . 2 . 2 1 1 LQQ H111 H 1 2.312 0.02 . . . . . . A 101 LQQ H111 . 31259 1 442 . 2 . 2 1 1 LQQ H112 H 1 2.442 0.00 . . . . . . A 101 LQQ H112 . 31259 1 443 . 2 . 2 1 1 LQQ H121 H 1 1.657 0.02 . . . . . . A 101 LQQ H121 . 31259 1 444 . 2 . 2 1 1 LQQ H122 H 1 1.659 0.00 . . . . . . A 101 LQQ H122 . 31259 1 445 . 2 . 2 1 1 LQQ H131 H 1 2.077 0.02 . . . . . . A 101 LQQ H131 . 31259 1 446 . 2 . 2 1 1 LQQ H132 H 1 2.079 0.00 . . . . . . A 101 LQQ H132 . 31259 1 447 . 2 . 2 1 1 LQQ H141 H 1 2.312 0.02 . . . . . . A 101 LQQ H141 . 31259 1 448 . 2 . 2 1 1 LQQ H142 H 1 2.311 0.00 . . . . . . A 101 LQQ H142 . 31259 1 449 . 2 . 2 1 1 LQQ H17 H 1 7.668 0.00 . 1 . . . . A 101 LQQ H17 . 31259 1 450 . 2 . 2 1 1 LQQ H19 H 1 5.915 0.02 . 1 . . . . A 101 LQQ H19 . 31259 1 451 . 2 . 2 1 1 LQQ H20 H 1 7.224 0.00 . 1 . . . . A 101 LQQ H20 . 31259 1 452 . 2 . 2 1 1 LQQ H211 H 1 3.112 0.02 . . . . . . A 101 LQQ H211 . 31259 1 453 . 2 . 2 1 1 LQQ H212 H 1 3.112 0.00 . . . . . . A 101 LQQ H212 . 31259 1 454 . 2 . 2 1 1 LQQ H221 H 1 3.473 0.02 . . . . . . A 101 LQQ H221 . 31259 1 455 . 2 . 2 1 1 LQQ H222 H 1 3.473 0.00 . . . . . . A 101 LQQ H222 . 31259 1 456 . 2 . 2 1 1 LQQ H231 H 1 3.473 0.02 . . . . . . A 101 LQQ H231 . 31259 1 457 . 2 . 2 1 1 LQQ H232 H 1 3.473 0.00 . . . . . . A 101 LQQ H232 . 31259 1 458 . 2 . 2 1 1 LQQ H241 H 1 3.112 0.02 . . . . . . A 101 LQQ H241 . 31259 1 459 . 2 . 2 1 1 LQQ H242 H 1 3.112 0.00 . . . . . . A 101 LQQ H242 . 31259 1 stop_ save_