################################### # 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 16431 _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' . . . 16431 1 2 '2D 1H-13C HSQC' . . . 16431 1 6 '3D HCCH-TOCSY' . . . 16431 1 7 '3D HCCH-COSY' . . . 16431 1 8 '3D 1H-15N NOESY' . . . 16431 1 9 '3D 1H-13C NOESY' . . . 16431 1 10 '2D H(C)N' . . . 16431 1 11 '2D 1H-15N HSQC (2J)' . . . 16431 1 13 '2D HNN-COSY' . . . 16431 1 14 '2D H5NN-COSY' . . . 16431 1 16 '2D 1H-15N CPMG-NOESY' . . . 16431 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $SPARKY . . 16431 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.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 H2' H 1 4.86 0.01 . 1 . . . . . 16 G H2' . 16431 1 2 . 1 1 1 1 G C2' C 13 75.44 0.01 . 1 . . . . . 16 G C2' . 16431 1 3 . 1 1 2 2 G H1 H 1 11.69 0.01 . 1 . . . . . 17 G H1 . 16431 1 4 . 1 1 2 2 G H1' H 1 5.97 0.01 . 1 . . . . . 17 G H1' . 16431 1 5 . 1 1 2 2 G H3' H 1 4.60 0.01 . 1 . . . . . 17 G H3' . 16431 1 6 . 1 1 2 2 G H4' H 1 4.58 0.01 . 1 . . . . . 17 G H4' . 16431 1 7 . 1 1 2 2 G H5' H 1 4.46 0.01 . 2 . . . . . 17 G H5' . 16431 1 8 . 1 1 2 2 G H5'' H 1 4.25 0.01 . 2 . . . . . 17 G H5'' . 16431 1 9 . 1 1 2 2 G H8 H 1 7.61 0.01 . 1 . . . . . 17 G H8 . 16431 1 10 . 1 1 2 2 G H21 H 1 6.29 0.01 . 2 . . . . . 17 G H21 . 16431 1 11 . 1 1 2 2 G H22 H 1 4.71 0.01 . 2 . . . . . 17 G H22 . 16431 1 12 . 1 1 2 2 G C1' C 13 93.15 0.10 . 1 . . . . . 17 G C1' . 16431 1 13 . 1 1 2 2 G C2' C 13 75.43 0.05 . 1 . . . . . 17 G C2' . 16431 1 14 . 1 1 2 2 G C3' C 13 72.46 0.10 . 1 . . . . . 17 G C3' . 16431 1 15 . 1 1 2 2 G C4' C 13 82.26 0.09 . 1 . . . . . 17 G C4' . 16431 1 16 . 1 1 2 2 G C8 C 13 137.17 0.01 . 1 . . . . . 17 G C8 . 16431 1 17 . 1 1 2 2 G N1 N 15 146.86 0.01 . 1 . . . . . 17 G N1 . 16431 1 18 . 1 1 2 2 G N2 N 15 74.39 0.01 . 1 . . . . . 17 G N2 . 16431 1 19 . 1 1 2 2 G N7 N 15 236.01 0.01 . 1 . . . . . 17 G N7 . 16431 1 20 . 1 1 2 2 G N9 N 15 171.79 0.03 . 1 . . . . . 17 G N9 . 16431 1 21 . 1 1 3 3 C H1' H 1 5.56 0.01 . 1 . . . . . 18 C H1' . 16431 1 22 . 1 1 3 3 C H2' H 1 4.30 0.01 . 1 . . . . . 18 C H2' . 16431 1 23 . 1 1 3 3 C H3' H 1 4.55 0.01 . 1 . . . . . 18 C H3' . 16431 1 24 . 1 1 3 3 C H5 H 1 5.51 0.01 . 1 . . . . . 18 C H5 . 16431 1 25 . 1 1 3 3 C H5' H 1 4.59 0.01 . 2 . . . . . 18 C H5' . 16431 1 26 . 1 1 3 3 C H5'' H 1 4.15 0.01 . 2 . . . . . 18 C H5'' . 16431 1 27 . 1 1 3 3 C H6 H 1 7.81 0.01 . 1 . . . . . 18 C H6 . 16431 1 28 . 1 1 3 3 C H41 H 1 6.95 0.01 . 2 . . . . . 18 C H41 . 16431 1 29 . 1 1 3 3 C H42 H 1 8.45 0.01 . 2 . . . . . 18 C H42 . 16431 1 30 . 1 1 3 3 C C1' C 13 93.81 0.05 . 1 . . . . . 18 C C1' . 16431 1 31 . 1 1 3 3 C C2' C 13 75.71 0.05 . 1 . . . . . 18 C C2' . 16431 1 32 . 1 1 3 3 C C3' C 13 71.91 0.13 . 1 . . . . . 18 C C3' . 16431 1 33 . 1 1 3 3 C C5 C 13 97.49 0.08 . 1 . . . . . 18 C C5 . 16431 1 34 . 1 1 3 3 C C5' C 13 64.11 0.02 . 1 . . . . . 18 C C5' . 16431 1 35 . 1 1 3 3 C C6 C 13 140.69 0.09 . 1 . . . . . 18 C C6 . 16431 1 36 . 1 1 3 3 C N1 N 15 153.10 0.01 . 1 . . . . . 18 C N1 . 16431 1 37 . 1 1 3 3 C N4 N 15 101.20 0.01 . 1 . . . . . 18 C N4 . 16431 1 38 . 1 1 4 4 C H1' H 1 5.52 0.01 . 1 . . . . . 19 C H1' . 16431 1 39 . 1 1 4 4 C H2' H 1 4.59 0.01 . 1 . . . . . 19 C H2' . 16431 1 40 . 1 1 4 4 C H3' H 1 4.62 0.01 . 1 . . . . . 19 C H3' . 16431 1 41 . 1 1 4 4 C H5 H 1 5.52 0.01 . 1 . . . . . 19 C H5 . 16431 1 42 . 1 1 4 4 C H5' H 1 4.58 0.01 . 2 . . . . . 19 C H5' . 16431 1 43 . 1 1 4 4 C H5'' H 1 4.15 0.01 . 2 . . . . . 19 C H5'' . 16431 1 44 . 1 1 4 4 C H6 H 1 7.83 0.01 . 1 . . . . . 19 C H6 . 16431 1 45 . 1 1 4 4 C H41 H 1 6.88 0.01 . 2 . . . . . 19 C H41 . 16431 1 46 . 1 1 4 4 C H42 H 1 8.38 0.01 . 2 . . . . . 19 C H42 . 16431 1 47 . 1 1 4 4 C C1' C 13 93.80 0.07 . 1 . . . . . 19 C C1' . 16431 1 48 . 1 1 4 4 C C2' C 13 75.29 0.05 . 1 . . . . . 19 C C2' . 16431 1 49 . 1 1 4 4 C C3' C 13 72.14 0.16 . 1 . . . . . 19 C C3' . 16431 1 50 . 1 1 4 4 C C5 C 13 97.95 0.07 . 1 . . . . . 19 C C5 . 16431 1 51 . 1 1 4 4 C C5' C 13 64.48 0.01 . 1 . . . . . 19 C C5' . 16431 1 52 . 1 1 4 4 C C6 C 13 141.10 0.16 . 1 . . . . . 19 C C6 . 16431 1 53 . 1 1 4 4 C N1 N 15 152.05 0.01 . 1 . . . . . 19 C N1 . 16431 1 54 . 1 1 4 4 C N4 N 15 99.52 0.01 . 1 . . . . . 19 C N4 . 16431 1 55 . 1 1 5 5 A H1' H 1 5.94 0.01 . 1 . . . . . 20 A H1' . 16431 1 56 . 1 1 5 5 A H2 H 1 6.94 0.01 . 1 . . . . . 20 A H2 . 16431 1 57 . 1 1 5 5 A H2' H 1 4.70 0.01 . 1 . . . . . 20 A H2' . 16431 1 58 . 1 1 5 5 A H3' H 1 4.74 0.01 . 1 . . . . . 20 A H3' . 16431 1 59 . 1 1 5 5 A H4' H 1 4.55 0.01 . 1 . . . . . 20 A H4' . 16431 1 60 . 1 1 5 5 A H5' H 1 4.19 0.01 . 2 . . . . . 20 A H5' . 16431 1 61 . 1 1 5 5 A H5'' H 1 4.60 0.01 . 2 . . . . . 20 A H5'' . 16431 1 62 . 1 1 5 5 A H8 H 1 8.00 0.01 . 1 . . . . . 20 A H8 . 16431 1 63 . 1 1 5 5 A C1' C 13 92.81 0.10 . 1 . . . . . 20 A C1' . 16431 1 64 . 1 1 5 5 A C2 C 13 152.47 0.02 . 1 . . . . . 20 A C2 . 16431 1 65 . 1 1 5 5 A C2' C 13 75.75 0.06 . 1 . . . . . 20 A C2' . 16431 1 66 . 1 1 5 5 A C3' C 13 72.79 0.11 . 1 . . . . . 20 A C3' . 16431 1 67 . 1 1 5 5 A C4' C 13 81.84 0.22 . 1 . . . . . 20 A C4' . 16431 1 68 . 1 1 5 5 A C5' C 13 65.10 0.02 . 1 . . . . . 20 A C5' . 16431 1 69 . 1 1 5 5 A C8 C 13 139.28 0.04 . 1 . . . . . 20 A C8 . 16431 1 70 . 1 1 5 5 A N9 N 15 172.08 0.01 . 1 . . . . . 20 A N9 . 16431 1 71 . 1 1 6 6 G H1 H 1 12.61 0.01 . 1 . . . . . 21 G H1 . 16431 1 72 . 1 1 6 6 G H1' H 1 5.55 0.01 . 1 . . . . . 21 G H1' . 16431 1 73 . 1 1 6 6 G H2' H 1 4.44 0.01 . 1 . . . . . 21 G H2' . 16431 1 74 . 1 1 6 6 G H3' H 1 4.49 0.01 . 1 . . . . . 21 G H3' . 16431 1 75 . 1 1 6 6 G H4' H 1 4.49 0.01 . 1 . . . . . 21 G H4' . 16431 1 76 . 1 1 6 6 G H5' H 1 4.09 0.01 . 2 . . . . . 21 G H5' . 16431 1 77 . 1 1 6 6 G H5'' H 1 4.49 0.01 . 2 . . . . . 21 G H5'' . 16431 1 78 . 1 1 6 6 G H8 H 1 7.11 0.01 . 1 . . . . . 21 G H8 . 16431 1 79 . 1 1 6 6 G C1' C 13 92.53 0.09 . 1 . . . . . 21 G C1' . 16431 1 80 . 1 1 6 6 G C2' C 13 75.30 0.06 . 1 . . . . . 21 G C2' . 16431 1 81 . 1 1 6 6 G C3' C 13 72.64 0.14 . 1 . . . . . 21 G C3' . 16431 1 82 . 1 1 6 6 G C5' C 13 65.62 0.09 . 1 . . . . . 21 G C5' . 16431 1 83 . 1 1 6 6 G C8 C 13 135.68 0.01 . 1 . . . . . 21 G C8 . 16431 1 84 . 1 1 6 6 G N1 N 15 148.06 0.01 . 1 . . . . . 21 G N1 . 16431 1 85 . 1 1 6 6 G N9 N 15 170.42 0.01 . 1 . . . . . 21 G N9 . 16431 1 86 . 1 1 7 7 A H1' H 1 5.98 0.01 . 1 . . . . . 22 A H1' . 16431 1 87 . 1 1 7 7 A H2 H 1 7.20 0.01 . 1 . . . . . 22 A H2 . 16431 1 88 . 1 1 7 7 A H2' H 1 4.35 0.01 . 1 . . . . . 22 A H2' . 16431 1 89 . 1 1 7 7 A H3' H 1 4.65 0.01 . 1 . . . . . 22 A H3' . 16431 1 90 . 1 1 7 7 A H4' H 1 4.48 0.01 . 1 . . . . . 22 A H4' . 16431 1 91 . 1 1 7 7 A H5' H 1 4.14 0.01 . 2 . . . . . 22 A H5' . 16431 1 92 . 1 1 7 7 A H5'' H 1 4.62 0.01 . 2 . . . . . 22 A H5'' . 16431 1 93 . 1 1 7 7 A H8 H 1 7.79 0.01 . 1 . . . . . 22 A H8 . 16431 1 94 . 1 1 7 7 A C1' C 13 92.64 0.10 . 1 . . . . . 22 A C1' . 16431 1 95 . 1 1 7 7 A C2 C 13 154.04 0.03 . 1 . . . . . 22 A C2 . 16431 1 96 . 1 1 7 7 A C2' C 13 75.67 0.06 . 1 . . . . . 22 A C2' . 16431 1 97 . 1 1 7 7 A C3' C 13 72.81 0.10 . 1 . . . . . 22 A C3' . 16431 1 98 . 1 1 7 7 A C5' C 13 64.40 0.06 . 1 . . . . . 22 A C5' . 16431 1 99 . 1 1 7 7 A C8 C 13 139.16 0.02 . 1 . . . . . 22 A C8 . 16431 1 100 . 1 1 7 7 A N1 N 15 224.91 0.01 . 1 . . . . . 22 A N1 . 16431 1 101 . 1 1 7 7 A N3 N 15 215.09 0.01 . 1 . . . . . 22 A N3 . 16431 1 102 . 1 1 7 7 A N9 N 15 171.99 0.01 . 1 . . . . . 22 A N9 . 16431 1 103 . 1 1 8 8 U H1' H 1 5.90 0.01 . 1 . . . . . 23 U H1' . 16431 1 104 . 1 1 8 8 U H2' H 1 4.51 0.01 . 1 . . . . . 23 U H2' . 16431 1 105 . 1 1 8 8 U H3' H 1 4.82 0.01 . 1 . . . . . 23 U H3' . 16431 1 106 . 1 1 8 8 U H4' H 1 4.51 0.01 . 1 . . . . . 23 U H4' . 16431 1 107 . 1 1 8 8 U H5 H 1 5.57 0.01 . 1 . . . . . 23 U H5 . 16431 1 108 . 1 1 8 8 U H5' H 1 4.29 0.01 . 2 . . . . . 23 U H5' . 16431 1 109 . 1 1 8 8 U H5'' H 1 4.29 0.01 . 2 . . . . . 23 U H5'' . 16431 1 110 . 1 1 8 8 U H6 H 1 7.72 0.01 . 1 . . . . . 23 U H6 . 16431 1 111 . 1 1 8 8 U C1' C 13 89.26 0.10 . 1 . . . . . 23 U C1' . 16431 1 112 . 1 1 8 8 U C2' C 13 73.61 0.12 . 1 . . . . . 23 U C2' . 16431 1 113 . 1 1 8 8 U C3' C 13 77.16 0.11 . 1 . . . . . 23 U C3' . 16431 1 114 . 1 1 8 8 U C4' C 13 85.35 0.10 . 1 . . . . . 23 U C4' . 16431 1 115 . 1 1 8 8 U C5 C 13 103.80 0.07 . 1 . . . . . 23 U C5 . 16431 1 116 . 1 1 8 8 U C5' C 13 67.74 0.07 . 1 . . . . . 23 U C5' . 16431 1 117 . 1 1 8 8 U C6 C 13 144.29 0.07 . 1 . . . . . 23 U C6 . 16431 1 118 . 1 1 8 8 U N1 N 15 144.05 0.01 . 1 . . . . . 23 U N1 . 16431 1 119 . 1 1 9 9 U H1' H 1 6.05 0.01 . 1 . . . . . 25 U H1' . 16431 1 120 . 1 1 9 9 U H2' H 1 4.51 0.01 . 1 . . . . . 25 U H2' . 16431 1 121 . 1 1 9 9 U H3' H 1 4.70 0.01 . 1 . . . . . 25 U H3' . 16431 1 122 . 1 1 9 9 U H4' H 1 4.57 0.01 . 1 . . . . . 25 U H4' . 16431 1 123 . 1 1 9 9 U H5 H 1 6.00 0.01 . 1 . . . . . 25 U H5 . 16431 1 124 . 1 1 9 9 U H5' H 1 4.28 0.01 . 2 . . . . . 25 U H5' . 16431 1 125 . 1 1 9 9 U H5'' H 1 4.30 0.01 . 2 . . . . . 25 U H5'' . 16431 1 126 . 1 1 9 9 U H6 H 1 7.92 0.01 . 1 . . . . . 25 U H6 . 16431 1 127 . 1 1 9 9 U C1' C 13 91.11 0.10 . 1 . . . . . 25 U C1' . 16431 1 128 . 1 1 9 9 U C2' C 13 75.60 0.08 . 1 . . . . . 25 U C2' . 16431 1 129 . 1 1 9 9 U C3' C 13 75.74 0.07 . 1 . . . . . 25 U C3' . 16431 1 130 . 1 1 9 9 U C4' C 13 84.92 0.09 . 1 . . . . . 25 U C4' . 16431 1 131 . 1 1 9 9 U C5 C 13 105.48 0.05 . 1 . . . . . 25 U C5 . 16431 1 132 . 1 1 9 9 U C5' C 13 67.39 0.11 . 1 . . . . . 25 U C5' . 16431 1 133 . 1 1 9 9 U C6 C 13 144.39 0.09 . 1 . . . . . 25 U C6 . 16431 1 134 . 1 1 9 9 U N1 N 15 145.64 0.02 . 1 . . . . . 25 U N1 . 16431 1 135 . 1 1 10 10 G H1 H 1 12.56 0.01 . 1 . . . . . 26 G H1 . 16431 1 136 . 1 1 10 10 G H1' H 1 5.91 0.01 . 1 . . . . . 26 G H1' . 16431 1 137 . 1 1 10 10 G H2' H 1 4.97 0.01 . 1 . . . . . 26 G H2' . 16431 1 138 . 1 1 10 10 G H3' H 1 4.96 0.01 . 1 . . . . . 26 G H3' . 16431 1 139 . 1 1 10 10 G H4' H 1 4.74 0.01 . 1 . . . . . 26 G H4' . 16431 1 140 . 1 1 10 10 G H5' H 1 4.53 0.01 . 2 . . . . . 26 G H5' . 16431 1 141 . 1 1 10 10 G H5'' H 1 4.31 0.01 . 2 . . . . . 26 G H5'' . 16431 1 142 . 1 1 10 10 G H8 H 1 7.77 0.01 . 1 . . . . . 26 G H8 . 16431 1 143 . 1 1 10 10 G H21 H 1 5.88 0.01 . 2 . . . . . 26 G H21 . 16431 1 144 . 1 1 10 10 G H22 H 1 8.10 0.01 . 2 . . . . . 26 G H22 . 16431 1 145 . 1 1 10 10 G C1' C 13 94.43 0.07 . 1 . . . . . 26 G C1' . 16431 1 146 . 1 1 10 10 G C2' C 13 75.48 0.08 . 1 . . . . . 26 G C2' . 16431 1 147 . 1 1 10 10 G C3' C 13 74.95 0.09 . 1 . . . . . 26 G C3' . 16431 1 148 . 1 1 10 10 G C4' C 13 83.96 0.08 . 1 . . . . . 26 G C4' . 16431 1 149 . 1 1 10 10 G C5' C 13 70.16 0.08 . 1 . . . . . 26 G C5' . 16431 1 150 . 1 1 10 10 G C8 C 13 138.42 0.03 . 1 . . . . . 26 G C8 . 16431 1 151 . 1 1 10 10 G N1 N 15 148.53 0.01 . 1 . . . . . 26 G N1 . 16431 1 152 . 1 1 10 10 G N2 N 15 75.45 0.01 . 1 . . . . . 26 G N2 . 16431 1 153 . 1 1 10 10 G N7 N 15 231.47 0.01 . 1 . . . . . 26 G N7 . 16431 1 154 . 1 1 10 10 G N9 N 15 170.23 0.09 . 1 . . . . . 26 G N9 . 16431 1 155 . 1 1 11 11 A H1' H 1 6.07 0.01 . 1 . . . . . 27 A H1' . 16431 1 156 . 1 1 11 11 A H2 H 1 7.49 0.01 . 1 . . . . . 27 A H2 . 16431 1 157 . 1 1 11 11 A H2' H 1 4.76 0.01 . 1 . . . . . 27 A H2' . 16431 1 158 . 1 1 11 11 A H3' H 1 4.76 0.01 . 1 . . . . . 27 A H3' . 16431 1 159 . 1 1 11 11 A H4' H 1 4.63 0.01 . 1 . . . . . 27 A H4' . 16431 1 160 . 1 1 11 11 A H5' H 1 4.68 0.01 . 2 . . . . . 27 A H5' . 16431 1 161 . 1 1 11 11 A H5'' H 1 4.22 0.01 . 2 . . . . . 27 A H5'' . 16431 1 162 . 1 1 11 11 A H8 H 1 7.82 0.01 . 1 . . . . . 27 A H8 . 16431 1 163 . 1 1 11 11 A H61 H 1 8.03 0.01 . 2 . . . . . 27 A H61 . 16431 1 164 . 1 1 11 11 A H62 H 1 8.03 0.01 . 2 . . . . . 27 A H62 . 16431 1 165 . 1 1 11 11 A C1' C 13 93.06 0.09 . 1 . . . . . 27 A C1' . 16431 1 166 . 1 1 11 11 A C2 C 13 153.62 0.05 . 1 . . . . . 27 A C2 . 16431 1 167 . 1 1 11 11 A C2' C 13 75.72 0.06 . 1 . . . . . 27 A C2' . 16431 1 168 . 1 1 11 11 A C3' C 13 73.47 0.14 . 1 . . . . . 27 A C3' . 16431 1 169 . 1 1 11 11 A C4' C 13 82.30 0.11 . 1 . . . . . 27 A C4' . 16431 1 170 . 1 1 11 11 A C5' C 13 65.37 0.09 . 1 . . . . . 27 A C5' . 16431 1 171 . 1 1 11 11 A C8 C 13 139.78 0.03 . 1 . . . . . 27 A C8 . 16431 1 172 . 1 1 11 11 A N3 N 15 211.92 0.01 . 1 . . . . . 27 A N3 . 16431 1 173 . 1 1 11 11 A N6 N 15 86.66 0.01 . 1 . . . . . 27 A N6 . 16431 1 174 . 1 1 11 11 A N7 N 15 230.87 0.01 . 1 . . . . . 27 A N7 . 16431 1 175 . 1 1 11 11 A N9 N 15 170.59 0.03 . 1 . . . . . 27 A N9 . 16431 1 176 . 1 1 12 12 G H1 H 1 13.64 0.01 . 1 . . . . . 28 G H1 . 16431 1 177 . 1 1 12 12 G H1' H 1 5.90 0.01 . 1 . . . . . 28 G H1' . 16431 1 178 . 1 1 12 12 G H2' H 1 4.59 0.01 . 1 . . . . . 28 G H2' . 16431 1 179 . 1 1 12 12 G H3' H 1 4.56 0.01 . 1 . . . . . 28 G H3' . 16431 1 180 . 1 1 12 12 G H4' H 1 4.55 0.01 . 1 . . . . . 28 G H4' . 16431 1 181 . 1 1 12 12 G H5' H 1 4.19 0.01 . 2 . . . . . 28 G H5' . 16431 1 182 . 1 1 12 12 G H5'' H 1 4.60 0.01 . 2 . . . . . 28 G H5'' . 16431 1 183 . 1 1 12 12 G H8 H 1 7.59 0.01 . 1 . . . . . 28 G H8 . 16431 1 184 . 1 1 12 12 G C1' C 13 92.53 0.11 . 1 . . . . . 28 G C1' . 16431 1 185 . 1 1 12 12 G C2' C 13 75.63 0.06 . 1 . . . . . 28 G C2' . 16431 1 186 . 1 1 12 12 G C3' C 13 72.71 0.16 . 1 . . . . . 28 G C3' . 16431 1 187 . 1 1 12 12 G C4' C 13 81.91 0.20 . 1 . . . . . 28 G C4' . 16431 1 188 . 1 1 12 12 G C5' C 13 65.36 0.06 . 1 . . . . . 28 G C5' . 16431 1 189 . 1 1 12 12 G C8 C 13 136.12 0.02 . 1 . . . . . 28 G C8 . 16431 1 190 . 1 1 12 12 G N1 N 15 149.28 0.01 . 1 . . . . . 28 G N1 . 16431 1 191 . 1 1 12 12 G N9 N 15 171.45 0.01 . 1 . . . . . 28 G N9 . 16431 1 192 . 1 1 13 13 C H1' H 1 5.56 0.01 . 1 . . . . . 29 C H1' . 16431 1 193 . 1 1 13 13 C H2' H 1 4.49 0.01 . 1 . . . . . 29 C H2' . 16431 1 194 . 1 1 13 13 C H3' H 1 4.28 0.01 . 1 . . . . . 29 C H3' . 16431 1 195 . 1 1 13 13 C H4' H 1 4.49 0.01 . 1 . . . . . 29 C H4' . 16431 1 196 . 1 1 13 13 C H5 H 1 5.23 0.01 . 1 . . . . . 29 C H5 . 16431 1 197 . 1 1 13 13 C H5' H 1 4.54 0.01 . 2 . . . . . 29 C H5' . 16431 1 198 . 1 1 13 13 C H5'' H 1 4.09 0.01 . 2 . . . . . 29 C H5'' . 16431 1 199 . 1 1 13 13 C H6 H 1 7.47 0.01 . 1 . . . . . 29 C H6 . 16431 1 200 . 1 1 13 13 C H41 H 1 6.82 0.01 . 2 . . . . . 29 C H41 . 16431 1 201 . 1 1 13 13 C H42 H 1 8.54 0.01 . 2 . . . . . 29 C H42 . 16431 1 202 . 1 1 13 13 C C1' C 13 93.86 0.03 . 1 . . . . . 29 C C1' . 16431 1 203 . 1 1 13 13 C C2' C 13 75.49 0.09 . 1 . . . . . 29 C C2' . 16431 1 204 . 1 1 13 13 C C3' C 13 72.03 0.12 . 1 . . . . . 29 C C3' . 16431 1 205 . 1 1 13 13 C C5 C 13 97.52 0.14 . 1 . . . . . 29 C C5 . 16431 1 206 . 1 1 13 13 C C5' C 13 64.66 0.06 . 1 . . . . . 29 C C5' . 16431 1 207 . 1 1 13 13 C C6 C 13 140.44 0.10 . 1 . . . . . 29 C C6 . 16431 1 208 . 1 1 13 13 C N1 N 15 152.52 0.01 . 1 . . . . . 29 C N1 . 16431 1 209 . 1 1 13 13 C N4 N 15 100.28 0.01 . 1 . . . . . 29 C N4 . 16431 1 210 . 1 1 14 14 U H1' H 1 5.72 0.01 . 1 . . . . . 31 U H1' . 16431 1 211 . 1 1 14 14 U H2' H 1 3.83 0.01 . 1 . . . . . 31 U H2' . 16431 1 212 . 1 1 14 14 U H3' H 1 4.57 0.01 . 1 . . . . . 31 U H3' . 16431 1 213 . 1 1 14 14 U H4' H 1 4.42 0.01 . 1 . . . . . 31 U H4' . 16431 1 214 . 1 1 14 14 U H5 H 1 5.73 0.01 . 1 . . . . . 31 U H5 . 16431 1 215 . 1 1 14 14 U H5' H 1 4.13 0.01 . 2 . . . . . 31 U H5' . 16431 1 216 . 1 1 14 14 U H5'' H 1 4.53 0.01 . 2 . . . . . 31 U H5'' . 16431 1 217 . 1 1 14 14 U H6 H 1 7.82 0.01 . 1 . . . . . 31 U H6 . 16431 1 218 . 1 1 14 14 U C1' C 13 94.53 0.10 . 1 . . . . . 31 U C1' . 16431 1 219 . 1 1 14 14 U C2' C 13 76.00 0.07 . 1 . . . . . 31 U C2' . 16431 1 220 . 1 1 14 14 U C3' C 13 73.28 0.11 . 1 . . . . . 31 U C3' . 16431 1 221 . 1 1 14 14 U C4' C 13 82.58 0.10 . 1 . . . . . 31 U C4' . 16431 1 222 . 1 1 14 14 U C5 C 13 105.13 0.06 . 1 . . . . . 31 U C5 . 16431 1 223 . 1 1 14 14 U C5' C 13 64.07 0.03 . 1 . . . . . 31 U C5' . 16431 1 224 . 1 1 14 14 U C6 C 13 141.02 0.16 . 1 . . . . . 31 U C6 . 16431 1 225 . 1 1 14 14 U N1 N 15 148.22 0.02 . 1 . . . . . 31 U N1 . 16431 1 226 . 1 1 15 15 U H1' H 1 6.14 0.01 . 1 . . . . . 32 U H1' . 16431 1 227 . 1 1 15 15 U H2' H 1 4.70 0.01 . 1 . . . . . 32 U H2' . 16431 1 228 . 1 1 15 15 U H3' H 1 4.07 0.01 . 1 . . . . . 32 U H3' . 16431 1 229 . 1 1 15 15 U H4' H 1 4.52 0.01 . 1 . . . . . 32 U H4' . 16431 1 230 . 1 1 15 15 U H5 H 1 5.91 0.01 . 1 . . . . . 32 U H5 . 16431 1 231 . 1 1 15 15 U H5' H 1 4.28 0.01 . 2 . . . . . 32 U H5' . 16431 1 232 . 1 1 15 15 U H5'' H 1 4.08 0.01 . 2 . . . . . 32 U H5'' . 16431 1 233 . 1 1 15 15 U H6 H 1 8.06 0.01 . 1 . . . . . 32 U H6 . 16431 1 234 . 1 1 15 15 U C1' C 13 89.26 0.11 . 1 . . . . . 32 U C1' . 16431 1 235 . 1 1 15 15 U C2' C 13 74.62 0.12 . 1 . . . . . 32 U C2' . 16431 1 236 . 1 1 15 15 U C3' C 13 77.83 0.09 . 1 . . . . . 32 U C3' . 16431 1 237 . 1 1 15 15 U C4' C 13 87.03 0.08 . 1 . . . . . 32 U C4' . 16431 1 238 . 1 1 15 15 U C5 C 13 105.49 0.08 . 1 . . . . . 32 U C5 . 16431 1 239 . 1 1 15 15 U C5' C 13 67.89 0.12 . 1 . . . . . 32 U C5' . 16431 1 240 . 1 1 15 15 U C6 C 13 144.94 0.13 . 1 . . . . . 32 U C6 . 16431 1 241 . 1 1 15 15 U N1 N 15 145.07 0.01 . 1 . . . . . 32 U N1 . 16431 1 242 . 1 1 16 16 C H1' H 1 5.99 0.01 . 1 . . . . . 33 C H1' . 16431 1 243 . 1 1 16 16 C H2' H 1 4.14 0.01 . 1 . . . . . 33 C H2' . 16431 1 244 . 1 1 16 16 C H3' H 1 4.53 0.01 . 1 . . . . . 33 C H3' . 16431 1 245 . 1 1 16 16 C H4' H 1 3.84 0.04 . 1 . . . . . 33 C H4' . 16431 1 246 . 1 1 16 16 C H5 H 1 6.16 0.01 . 1 . . . . . 33 C H5 . 16431 1 247 . 1 1 16 16 C H5' H 1 3.65 0.01 . 2 . . . . . 33 C H5' . 16431 1 248 . 1 1 16 16 C H5'' H 1 2.77 0.01 . 2 . . . . . 33 C H5'' . 16431 1 249 . 1 1 16 16 C H6 H 1 7.73 0.01 . 1 . . . . . 33 C H6 . 16431 1 250 . 1 1 16 16 C H41 H 1 6.30 0.01 . 2 . . . . . 33 C H41 . 16431 1 251 . 1 1 16 16 C H42 H 1 7.21 0.01 . 2 . . . . . 33 C H42 . 16431 1 252 . 1 1 16 16 C C1' C 13 89.18 0.09 . 1 . . . . . 33 C C1' . 16431 1 253 . 1 1 16 16 C C2' C 13 77.61 0.11 . 1 . . . . . 33 C C2' . 16431 1 254 . 1 1 16 16 C C3' C 13 80.34 0.09 . 1 . . . . . 33 C C3' . 16431 1 255 . 1 1 16 16 C C4' C 13 84.57 0.07 . 1 . . . . . 33 C C4' . 16431 1 256 . 1 1 16 16 C C5 C 13 98.61 0.11 . 1 . . . . . 33 C C5 . 16431 1 257 . 1 1 16 16 C C5' C 13 67.43 0.07 . 1 . . . . . 33 C C5' . 16431 1 258 . 1 1 16 16 C C6 C 13 142.83 0.12 . 1 . . . . . 33 C C6 . 16431 1 259 . 1 1 16 16 C N1 N 15 151.95 0.01 . 1 . . . . . 33 C N1 . 16431 1 260 . 1 1 16 16 C N4 N 15 95.03 0.01 . 1 . . . . . 33 C N4 . 16431 1 261 . 1 1 17 17 G H1 H 1 9.94 0.01 . 1 . . . . . 34 G H1 . 16431 1 262 . 1 1 17 17 G H1' H 1 6.00 0.01 . 1 . . . . . 34 G H1' . 16431 1 263 . 1 1 17 17 G H2' H 1 4.85 0.01 . 1 . . . . . 34 G H2' . 16431 1 264 . 1 1 17 17 G H3' H 1 5.66 0.01 . 1 . . . . . 34 G H3' . 16431 1 265 . 1 1 17 17 G H4' H 1 4.45 0.01 . 1 . . . . . 34 G H4' . 16431 1 266 . 1 1 17 17 G H5' H 1 4.22 0.01 . 2 . . . . . 34 G H5' . 16431 1 267 . 1 1 17 17 G H5'' H 1 4.44 0.01 . 2 . . . . . 34 G H5'' . 16431 1 268 . 1 1 17 17 G H8 H 1 7.90 0.01 . 1 . . . . . 34 G H8 . 16431 1 269 . 1 1 17 17 G C1' C 13 94.52 0.10 . 1 . . . . . 34 G C1' . 16431 1 270 . 1 1 17 17 G C2' C 13 77.32 0.06 . 1 . . . . . 34 G C2' . 16431 1 271 . 1 1 17 17 G C3' C 13 75.94 0.13 . 1 . . . . . 34 G C3' . 16431 1 272 . 1 1 17 17 G C4' C 13 83.29 0.10 . 1 . . . . . 34 G C4' . 16431 1 273 . 1 1 17 17 G C5' C 13 69.09 0.07 . 1 . . . . . 34 G C5' . 16431 1 274 . 1 1 17 17 G C8 C 13 142.94 0.03 . 1 . . . . . 34 G C8 . 16431 1 275 . 1 1 17 17 G N1 N 15 144.70 0.01 . 1 . . . . . 34 G N1 . 16431 1 276 . 1 1 17 17 G N7 N 15 233.54 0.01 . 1 . . . . . 34 G N7 . 16431 1 277 . 1 1 17 17 G N9 N 15 172.81 0.08 . 1 . . . . . 34 G N9 . 16431 1 278 . 1 1 18 18 G H1 H 1 13.45 0.01 . 1 . . . . . 36 G H1 . 16431 1 279 . 1 1 18 18 G H1' H 1 4.48 0.01 . 1 . . . . . 36 G H1' . 16431 1 280 . 1 1 18 18 G H2' H 1 4.48 0.01 . 1 . . . . . 36 G H2' . 16431 1 281 . 1 1 18 18 G H3' H 1 4.30 0.01 . 1 . . . . . 36 G H3' . 16431 1 282 . 1 1 18 18 G H4' H 1 4.43 0.01 . 1 . . . . . 36 G H4' . 16431 1 283 . 1 1 18 18 G H5' H 1 4.29 0.01 . 2 . . . . . 36 G H5' . 16431 1 284 . 1 1 18 18 G H5'' H 1 4.52 0.01 . 2 . . . . . 36 G H5'' . 16431 1 285 . 1 1 18 18 G H8 H 1 8.33 0.01 . 1 . . . . . 36 G H8 . 16431 1 286 . 1 1 18 18 G C1' C 13 93.33 0.03 . 1 . . . . . 36 G C1' . 16431 1 287 . 1 1 18 18 G C2' C 13 75.01 0.04 . 1 . . . . . 36 G C2' . 16431 1 288 . 1 1 18 18 G C3' C 13 74.68 0.06 . 1 . . . . . 36 G C3' . 16431 1 289 . 1 1 18 18 G C4' C 13 83.28 0.04 . 1 . . . . . 36 G C4' . 16431 1 290 . 1 1 18 18 G C5' C 13 69.86 0.10 . 1 . . . . . 36 G C5' . 16431 1 291 . 1 1 18 18 G C8 C 13 138.91 0.03 . 1 . . . . . 36 G C8 . 16431 1 292 . 1 1 18 18 G N1 N 15 149.72 0.01 . 1 . . . . . 36 G N1 . 16431 1 293 . 1 1 18 18 G N7 N 15 234.97 0.02 . 1 . . . . . 36 G N7 . 16431 1 294 . 1 1 18 18 G N9 N 15 171.50 0.04 . 1 . . . . . 36 G N9 . 16431 1 295 . 1 1 19 19 C H1' H 1 5.59 0.01 . 1 . . . . . 37 C H1' . 16431 1 296 . 1 1 19 19 C H2' H 1 4.51 0.01 . 1 . . . . . 37 C H2' . 16431 1 297 . 1 1 19 19 C H3' H 1 4.51 0.01 . 1 . . . . . 37 C H3' . 16431 1 298 . 1 1 19 19 C H4' H 1 4.44 0.01 . 1 . . . . . 37 C H4' . 16431 1 299 . 1 1 19 19 C H5 H 1 5.27 0.01 . 1 . . . . . 37 C H5 . 16431 1 300 . 1 1 19 19 C H5' H 1 4.09 0.01 . 2 . . . . . 37 C H5' . 16431 1 301 . 1 1 19 19 C H5'' H 1 4.56 0.01 . 2 . . . . . 37 C H5'' . 16431 1 302 . 1 1 19 19 C H6 H 1 7.84 0.01 . 1 . . . . . 37 C H6 . 16431 1 303 . 1 1 19 19 C H41 H 1 6.82 0.01 . 2 . . . . . 37 C H41 . 16431 1 304 . 1 1 19 19 C H42 H 1 8.92 0.01 . 2 . . . . . 37 C H42 . 16431 1 305 . 1 1 19 19 C C1' C 13 94.11 0.10 . 1 . . . . . 37 C C1' . 16431 1 306 . 1 1 19 19 C C2' C 13 75.40 0.06 . 1 . . . . . 37 C C2' . 16431 1 307 . 1 1 19 19 C C3' C 13 71.98 0.12 . 1 . . . . . 37 C C3' . 16431 1 308 . 1 1 19 19 C C4' C 13 81.97 0.14 . 1 . . . . . 37 C C4' . 16431 1 309 . 1 1 19 19 C C5 C 13 96.78 0.19 . 1 . . . . . 37 C C5 . 16431 1 310 . 1 1 19 19 C C5' C 13 64.15 0.06 . 1 . . . . . 37 C C5' . 16431 1 311 . 1 1 19 19 C C6 C 13 141.88 0.11 . 1 . . . . . 37 C C6 . 16431 1 312 . 1 1 19 19 C N1 N 15 153.13 0.01 . 1 . . . . . 37 C N1 . 16431 1 313 . 1 1 19 19 C N4 N 15 99.68 0.01 . 1 . . . . . 37 C N4 . 16431 1 314 . 1 1 20 20 U H1' H 1 5.71 0.01 . 1 . . . . . 38 U H1' . 16431 1 315 . 1 1 20 20 U H2' H 1 4.81 0.01 . 1 . . . . . 38 U H2' . 16431 1 316 . 1 1 20 20 U H3 H 1 14.26 0.01 . 1 . . . . . 38 U H3 . 16431 1 317 . 1 1 20 20 U H3' H 1 4.55 0.01 . 1 . . . . . 38 U H3' . 16431 1 318 . 1 1 20 20 U H4' H 1 4.47 0.01 . 1 . . . . . 38 U H4' . 16431 1 319 . 1 1 20 20 U H5 H 1 5.51 0.01 . 1 . . . . . 38 U H5 . 16431 1 320 . 1 1 20 20 U H5' H 1 4.15 0.01 . 2 . . . . . 38 U H5' . 16431 1 321 . 1 1 20 20 U H5'' H 1 4.61 0.01 . 2 . . . . . 38 U H5'' . 16431 1 322 . 1 1 20 20 U H6 H 1 7.96 0.01 . 1 . . . . . 38 U H6 . 16431 1 323 . 1 1 20 20 U C1' C 13 93.50 0.10 . 1 . . . . . 38 U C1' . 16431 1 324 . 1 1 20 20 U C2' C 13 75.65 0.08 . 1 . . . . . 38 U C2' . 16431 1 325 . 1 1 20 20 U C3' C 13 72.52 0.22 . 1 . . . . . 38 U C3' . 16431 1 326 . 1 1 20 20 U C4' C 13 81.95 0.15 . 1 . . . . . 38 U C4' . 16431 1 327 . 1 1 20 20 U C5 C 13 103.34 0.04 . 1 . . . . . 38 U C5 . 16431 1 328 . 1 1 20 20 U C5' C 13 64.40 0.12 . 1 . . . . . 38 U C5' . 16431 1 329 . 1 1 20 20 U C6 C 13 141.70 0.06 . 1 . . . . . 38 U C6 . 16431 1 330 . 1 1 20 20 U N1 N 15 148.35 0.02 . 1 . . . . . 38 U N1 . 16431 1 331 . 1 1 20 20 U N3 N 15 163.48 0.01 . 1 . . . . . 38 U N3 . 16431 1 332 . 1 1 21 21 C H1' H 1 5.34 0.01 . 1 . . . . . 39 C H1' . 16431 1 333 . 1 1 21 21 C H2' H 1 4.52 0.01 . 1 . . . . . 39 C H2' . 16431 1 334 . 1 1 21 21 C H3' H 1 4.10 0.01 . 1 . . . . . 39 C H3' . 16431 1 335 . 1 1 21 21 C H4' H 1 4.57 0.01 . 1 . . . . . 39 C H4' . 16431 1 336 . 1 1 21 21 C H5 H 1 5.65 0.01 . 1 . . . . . 39 C H5 . 16431 1 337 . 1 1 21 21 C H5' H 1 4.16 0.01 . 2 . . . . . 39 C H5' . 16431 1 338 . 1 1 21 21 C H5'' H 1 4.42 0.01 . 2 . . . . . 39 C H5'' . 16431 1 339 . 1 1 21 21 C H6 H 1 7.57 0.01 . 1 . . . . . 39 C H6 . 16431 1 340 . 1 1 21 21 C H41 H 1 7.13 0.01 . 2 . . . . . 39 C H41 . 16431 1 341 . 1 1 21 21 C H42 H 1 8.46 0.01 . 2 . . . . . 39 C H42 . 16431 1 342 . 1 1 21 21 C C1' C 13 95.26 0.08 . 1 . . . . . 39 C C1' . 16431 1 343 . 1 1 21 21 C C2' C 13 75.29 0.11 . 1 . . . . . 39 C C2' . 16431 1 344 . 1 1 21 21 C C3' C 13 73.57 0.09 . 1 . . . . . 39 C C3' . 16431 1 345 . 1 1 21 21 C C4' C 13 82.69 0.11 . 1 . . . . . 39 C C4' . 16431 1 346 . 1 1 21 21 C C5 C 13 98.91 0.05 . 1 . . . . . 39 C C5 . 16431 1 347 . 1 1 21 21 C C5' C 13 67.46 0.08 . 1 . . . . . 39 C C5' . 16431 1 348 . 1 1 21 21 C C6 C 13 141.10 0.12 . 1 . . . . . 39 C C6 . 16431 1 349 . 1 1 21 21 C N1 N 15 151.59 0.01 . 1 . . . . . 39 C N1 . 16431 1 350 . 1 1 21 21 C N4 N 15 98.37 0.01 . 1 . . . . . 39 C N4 . 16431 1 351 . 1 1 22 22 U H1' H 1 5.51 0.01 . 1 . . . . . 40 U H1' . 16431 1 352 . 1 1 22 22 U H2' H 1 4.38 0.01 . 1 . . . . . 40 U H2' . 16431 1 353 . 1 1 22 22 U H3 H 1 14.01 0.01 . 1 . . . . . 40 U H3 . 16431 1 354 . 1 1 22 22 U H3' H 1 4.55 0.01 . 1 . . . . . 40 U H3' . 16431 1 355 . 1 1 22 22 U H4' H 1 4.43 0.01 . 1 . . . . . 40 U H4' . 16431 1 356 . 1 1 22 22 U H5 H 1 5.53 0.01 . 1 . . . . . 40 U H5 . 16431 1 357 . 1 1 22 22 U H5' H 1 4.14 0.01 . 2 . . . . . 40 U H5' . 16431 1 358 . 1 1 22 22 U H5'' H 1 4.14 0.01 . 2 . . . . . 40 U H5'' . 16431 1 359 . 1 1 22 22 U H6 H 1 8.03 0.01 . 1 . . . . . 40 U H6 . 16431 1 360 . 1 1 22 22 U C1' C 13 93.87 0.10 . 1 . . . . . 40 U C1' . 16431 1 361 . 1 1 22 22 U C2' C 13 74.96 0.05 . 1 . . . . . 40 U C2' . 16431 1 362 . 1 1 22 22 U C3' C 13 71.91 0.03 . 1 . . . . . 40 U C3' . 16431 1 363 . 1 1 22 22 U C4' C 13 82.20 0.01 . 1 . . . . . 40 U C4' . 16431 1 364 . 1 1 22 22 U C5 C 13 103.14 0.12 . 1 . . . . . 40 U C5 . 16431 1 365 . 1 1 22 22 U C6 C 13 142.07 0.12 . 1 . . . . . 40 U C6 . 16431 1 366 . 1 1 22 22 U N1 N 15 148.31 0.01 . 1 . . . . . 40 U N1 . 16431 1 367 . 1 1 22 22 U N3 N 15 163.46 0.01 . 1 . . . . . 40 U N3 . 16431 1 368 . 1 1 23 23 C H1' H 1 5.51 0.01 . 1 . . . . . 41 C H1' . 16431 1 369 . 1 1 23 23 C H2' H 1 4.23 0.01 . 1 . . . . . 41 C H2' . 16431 1 370 . 1 1 23 23 C H3' H 1 4.52 0.01 . 1 . . . . . 41 C H3' . 16431 1 371 . 1 1 23 23 C H4' H 1 4.42 0.01 . 1 . . . . . 41 C H4' . 16431 1 372 . 1 1 23 23 C H5 H 1 5.70 0.01 . 1 . . . . . 41 C H5 . 16431 1 373 . 1 1 23 23 C H5' H 1 4.11 0.01 . 2 . . . . . 41 C H5' . 16431 1 374 . 1 1 23 23 C H5'' H 1 4.58 0.01 . 2 . . . . . 41 C H5'' . 16431 1 375 . 1 1 23 23 C H6 H 1 7.96 0.01 . 1 . . . . . 41 C H6 . 16431 1 376 . 1 1 23 23 C H41 H 1 7.00 0.01 . 2 . . . . . 41 C H41 . 16431 1 377 . 1 1 23 23 C H42 H 1 8.33 0.01 . 2 . . . . . 41 C H42 . 16431 1 378 . 1 1 23 23 C C1' C 13 93.85 0.05 . 1 . . . . . 41 C C1' . 16431 1 379 . 1 1 23 23 C C2' C 13 75.44 0.07 . 1 . . . . . 41 C C2' . 16431 1 380 . 1 1 23 23 C C3' C 13 72.00 0.13 . 1 . . . . . 41 C C3' . 16431 1 381 . 1 1 23 23 C C4' C 13 81.77 0.04 . 1 . . . . . 41 C C4' . 16431 1 382 . 1 1 23 23 C C5 C 13 97.21 0.07 . 1 . . . . . 41 C C5 . 16431 1 383 . 1 1 23 23 C C5' C 13 64.23 0.09 . 1 . . . . . 41 C C5' . 16431 1 384 . 1 1 23 23 C C6 C 13 142.05 0.05 . 1 . . . . . 41 C C6 . 16431 1 385 . 1 1 23 23 C N1 N 15 153.08 0.01 . 1 . . . . . 41 C N1 . 16431 1 386 . 1 1 23 23 C N4 N 15 99.70 0.01 . 1 . . . . . 41 C N4 . 16431 1 387 . 1 1 24 24 U H1' H 1 5.48 0.01 . 1 . . . . . 42 U H1' . 16431 1 388 . 1 1 24 24 U H2' H 1 4.58 0.01 . 1 . . . . . 42 U H2' . 16431 1 389 . 1 1 24 24 U H3 H 1 13.35 0.01 . 1 . . . . . 42 U H3 . 16431 1 390 . 1 1 24 24 U H3' H 1 4.62 0.01 . 1 . . . . . 42 U H3' . 16431 1 391 . 1 1 24 24 U H4' H 1 4.46 0.01 . 1 . . . . . 42 U H4' . 16431 1 392 . 1 1 24 24 U H5 H 1 5.35 0.01 . 1 . . . . . 42 U H5 . 16431 1 393 . 1 1 24 24 U H5' H 1 4.13 0.01 . 2 . . . . . 42 U H5' . 16431 1 394 . 1 1 24 24 U H5'' H 1 4.61 0.01 . 2 . . . . . 42 U H5'' . 16431 1 395 . 1 1 24 24 U H6 H 1 7.91 0.01 . 1 . . . . . 42 U H6 . 16431 1 396 . 1 1 24 24 U C1' C 13 93.44 0.09 . 1 . . . . . 42 U C1' . 16431 1 397 . 1 1 24 24 U C2' C 13 75.14 0.03 . 1 . . . . . 42 U C2' . 16431 1 398 . 1 1 24 24 U C3' C 13 72.10 0.12 . 1 . . . . . 42 U C3' . 16431 1 399 . 1 1 24 24 U C5 C 13 103.40 0.03 . 1 . . . . . 42 U C5 . 16431 1 400 . 1 1 24 24 U C5' C 13 64.20 0.01 . 1 . . . . . 42 U C5' . 16431 1 401 . 1 1 24 24 U C6 C 13 141.59 0.05 . 1 . . . . . 42 U C6 . 16431 1 402 . 1 1 24 24 U N1 N 15 147.19 0.01 . 1 . . . . . 42 U N1 . 16431 1 403 . 1 1 24 24 U N3 N 15 163.05 0.01 . 1 . . . . . 42 U N3 . 16431 1 404 . 1 1 25 25 G H1 H 1 12.09 0.01 . 1 . . . . . 43 G H1 . 16431 1 405 . 1 1 25 25 G H1' H 1 5.82 0.01 . 1 . . . . . 43 G H1' . 16431 1 406 . 1 1 25 25 G H2' H 1 4.65 0.01 . 1 . . . . . 43 G H2' . 16431 1 407 . 1 1 25 25 G H3' H 1 4.67 0.01 . 1 . . . . . 43 G H3' . 16431 1 408 . 1 1 25 25 G H4' H 1 4.52 0.01 . 1 . . . . . 43 G H4' . 16431 1 409 . 1 1 25 25 G H5' H 1 4.17 0.01 . 2 . . . . . 43 G H5' . 16431 1 410 . 1 1 25 25 G H5'' H 1 4.58 0.01 . 2 . . . . . 43 G H5'' . 16431 1 411 . 1 1 25 25 G H8 H 1 7.74 0.01 . 1 . . . . . 43 G H8 . 16431 1 412 . 1 1 25 25 G C1' C 13 92.43 0.08 . 1 . . . . . 43 G C1' . 16431 1 413 . 1 1 25 25 G C2' C 13 75.43 0.05 . 1 . . . . . 43 G C2' . 16431 1 414 . 1 1 25 25 G C3' C 13 72.58 0.17 . 1 . . . . . 43 G C3' . 16431 1 415 . 1 1 25 25 G C4' C 13 81.79 0.20 . 1 . . . . . 43 G C4' . 16431 1 416 . 1 1 25 25 G C5' C 13 64.97 0.01 . 1 . . . . . 43 G C5' . 16431 1 417 . 1 1 25 25 G C8 C 13 136.23 0.01 . 1 . . . . . 43 G C8 . 16431 1 418 . 1 1 25 25 G N1 N 15 147.51 0.01 . 1 . . . . . 43 G N1 . 16431 1 419 . 1 1 25 25 G N9 N 15 171.29 0.01 . 1 . . . . . 43 G N9 . 16431 1 420 . 1 1 26 26 G H1 H 1 13.52 0.01 . 1 . . . . . 44 G H1 . 16431 1 421 . 1 1 26 26 G H1' H 1 5.69 0.01 . 1 . . . . . 44 G H1' . 16431 1 422 . 1 1 26 26 G H2' H 1 4.60 0.01 . 1 . . . . . 44 G H2' . 16431 1 423 . 1 1 26 26 G H3' H 1 4.40 0.01 . 1 . . . . . 44 G H3' . 16431 1 424 . 1 1 26 26 G H4' H 1 4.47 0.01 . 1 . . . . . 44 G H4' . 16431 1 425 . 1 1 26 26 G H5' H 1 4.10 0.01 . 2 . . . . . 44 G H5' . 16431 1 426 . 1 1 26 26 G H5'' H 1 4.57 0.01 . 2 . . . . . 44 G H5'' . 16431 1 427 . 1 1 26 26 G H8 H 1 7.24 0.01 . 1 . . . . . 44 G H8 . 16431 1 428 . 1 1 26 26 G C1' C 13 92.95 0.11 . 1 . . . . . 44 G C1' . 16431 1 429 . 1 1 26 26 G C2' C 13 75.28 0.12 . 1 . . . . . 44 G C2' . 16431 1 430 . 1 1 26 26 G C3' C 13 72.45 0.11 . 1 . . . . . 44 G C3' . 16431 1 431 . 1 1 26 26 G C5' C 13 64.77 0.03 . 1 . . . . . 44 G C5' . 16431 1 432 . 1 1 26 26 G C8 C 13 135.71 0.03 . 1 . . . . . 44 G C8 . 16431 1 433 . 1 1 26 26 G N1 N 15 149.74 0.01 . 1 . . . . . 44 G N1 . 16431 1 434 . 1 1 26 26 G N9 N 15 171.27 0.02 . 1 . . . . . 44 G N9 . 16431 1 435 . 1 1 27 27 U H1' H 1 5.51 0.01 . 1 . . . . . 45 U H1' . 16431 1 436 . 1 1 27 27 U H2' H 1 4.11 0.01 . 1 . . . . . 45 U H2' . 16431 1 437 . 1 1 27 27 U H3 H 1 12.19 0.01 . 1 . . . . . 45 U H3 . 16431 1 438 . 1 1 27 27 U H3' H 1 4.52 0.01 . 1 . . . . . 45 U H3' . 16431 1 439 . 1 1 27 27 U H4' H 1 4.41 0.01 . 1 . . . . . 45 U H4' . 16431 1 440 . 1 1 27 27 U H5 H 1 5.42 0.01 . 1 . . . . . 45 U H5 . 16431 1 441 . 1 1 27 27 U H6 H 1 7.77 0.01 . 1 . . . . . 45 U H6 . 16431 1 442 . 1 1 27 27 U C1' C 13 94.41 0.11 . 1 . . . . . 45 U C1' . 16431 1 443 . 1 1 27 27 U C2' C 13 75.75 0.05 . 1 . . . . . 45 U C2' . 16431 1 444 . 1 1 27 27 U C3' C 13 72.09 0.06 . 1 . . . . . 45 U C3' . 16431 1 445 . 1 1 27 27 U C4' C 13 82.65 0.12 . 1 . . . . . 45 U C4' . 16431 1 446 . 1 1 27 27 U C5 C 13 104.06 0.24 . 1 . . . . . 45 U C5 . 16431 1 447 . 1 1 27 27 U C6 C 13 140.85 0.07 . 1 . . . . . 45 U C6 . 16431 1 448 . 1 1 27 27 U N1 N 15 147.16 0.01 . 1 . . . . . 45 U N1 . 16431 1 449 . 1 1 27 27 U N3 N 15 160.36 0.01 . 1 . . . . . 45 U N3 . 16431 1 450 . 1 1 28 28 C H1' H 1 6.23 0.01 . 1 . . . . . 46 C H1' . 16431 1 451 . 1 1 28 28 C H2' H 1 4.72 0.01 . 1 . . . . . 46 C H2' . 16431 1 452 . 1 1 28 28 C H3' H 1 5.06 0.01 . 1 . . . . . 46 C H3' . 16431 1 453 . 1 1 28 28 C H4' H 1 4.42 0.01 . 1 . . . . . 46 C H4' . 16431 1 454 . 1 1 28 28 C H5 H 1 5.71 0.01 . 1 . . . . . 46 C H5 . 16431 1 455 . 1 1 28 28 C H5' H 1 4.61 0.01 . 2 . . . . . 46 C H5' . 16431 1 456 . 1 1 28 28 C H5'' H 1 4.14 0.01 . 2 . . . . . 46 C H5'' . 16431 1 457 . 1 1 28 28 C H6 H 1 7.60 0.01 . 1 . . . . . 46 C H6 . 16431 1 458 . 1 1 28 28 C C1' C 13 91.63 0.10 . 1 . . . . . 46 C C1' . 16431 1 459 . 1 1 28 28 C C2' C 13 84.99 0.14 . 1 . . . . . 46 C C2' . 16431 1 460 . 1 1 28 28 C C3' C 13 78.13 0.07 . 1 . . . . . 46 C C3' . 16431 1 461 . 1 1 28 28 C C4' C 13 85.41 0.12 . 1 . . . . . 46 C C4' . 16431 1 462 . 1 1 28 28 C C5 C 13 99.19 0.04 . 1 . . . . . 46 C C5 . 16431 1 463 . 1 1 28 28 C C5' C 13 65.87 0.09 . 1 . . . . . 46 C C5' . 16431 1 464 . 1 1 28 28 C C6 C 13 143.06 0.15 . 1 . . . . . 46 C C6 . 16431 1 465 . 1 1 28 28 C N1 N 15 152.06 0.01 . 1 . . . . . 46 C N1 . 16431 1 stop_ save_