################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7090 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 '1H15N HSQC' 1 $sample_1 isotropic 7090 1 2 '1H13C HSQC' 1 $sample_1 isotropic 7090 1 3 '1H1H13C HCCH COSY' 1 $sample_1 isotropic 7090 1 4 '1H1H13C NOESY HSQC' 1 $sample_1 isotropic 7090 1 5 'HNN COSY' 1 $sample_1 isotropic 7090 1 6 '1H1H13C HSCQ TOCSY' 1 $sample_1 isotropic 7090 1 7 'HCN TROSY' 1 $sample_1 isotropic 7090 1 8 'CU HNCCCH' 1 $sample_1 isotropic 7090 1 9 'GA HNC TOCSY CH' 1 $sample_1 isotropic 7090 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 G H1 H 1 12.31 0.01 . 1 . . . . 1 G H1 . 7090 1 2 . 1 1 1 1 G H8 H 1 7.97 0.01 . 1 . . . . 1 G H8 . 7090 1 3 . 1 1 1 1 G N1 N 15 146.38 0.01 . 1 . . . . 1 G N1 . 7090 1 4 . 1 1 1 1 G N9 N 15 168.10 0.01 . 1 . . . . 1 G N9 . 7090 1 5 . 1 1 1 1 G H1' H 1 5.62 0.01 . 1 . . . . 1 G H1' . 7090 1 6 . 1 1 1 1 G H2' H 1 4.77 0.01 . 1 . . . . 1 G H2' . 7090 1 7 . 1 1 1 1 G H3' H 1 4.53 0.01 . 1 . . . . 1 G H3' . 7090 1 8 . 1 1 1 1 G H4' H 1 4.03 0.01 . 1 . . . . 1 G H4' . 7090 1 9 . 1 1 1 1 G H5' H 1 4.22 0.01 . 2 . . . . 1 G H5' . 7090 1 10 . 1 1 1 1 G H5'' H 1 4.42 0.01 . 2 . . . . 1 G H5'' . 7090 1 11 . 1 1 1 1 G C1' C 13 93.78 0.01 . 1 . . . . 1 G C1' . 7090 1 12 . 1 1 1 1 G C2' C 13 74.68 0.01 . 1 . . . . 1 G C2' . 7090 1 13 . 1 1 1 1 G C3' C 13 73.77 0.01 . 1 . . . . 1 G C3' . 7090 1 14 . 1 1 1 1 G C4' C 13 83.59 0.01 . 1 . . . . 1 G C4' . 7090 1 15 . 1 1 1 1 G C5' C 13 66.81 0.01 . 1 . . . . 1 G C5' . 7090 1 16 . 1 1 1 1 G P P 31 -0.19 0.01 . 1 . . . . 1 G P . 7090 1 17 . 1 1 2 2 A H2 H 1 7.63 0.01 . 1 . . . . 2 A H2 . 7090 1 18 . 1 1 2 2 A H8 H 1 8.05 0.01 . 1 . . . . 2 A H8 . 7090 1 19 . 1 1 2 2 A N9 N 15 167.78 0.01 . 1 . . . . 2 A N9 . 7090 1 20 . 1 1 2 2 A H1' H 1 6.15 0.01 . 1 . . . . 2 A H1' . 7090 1 21 . 1 1 2 2 A H2' H 1 4.75 0.01 . 1 . . . . 2 A H2' . 7090 1 22 . 1 1 2 2 A H3' H 1 4.57 0.01 . 1 . . . . 2 A H3' . 7090 1 23 . 1 1 2 2 A H4' H 1 4.71 0.01 . 1 . . . . 2 A H4' . 7090 1 24 . 1 1 2 2 A H5' H 1 4.52 0.01 . 2 . . . . 2 A H5' . 7090 1 25 . 1 1 2 2 A H5'' H 1 4.12 0.01 . 2 . . . . 2 A H5'' . 7090 1 26 . 1 1 2 2 A C1' C 13 93.00 0.01 . 1 . . . . 2 A C1' . 7090 1 27 . 1 1 2 2 A C2' C 13 7.81 0.01 . 1 . . . . 2 A C2' . 7090 1 28 . 1 1 2 2 A C3' C 13 72.48 0.01 . 1 . . . . 2 A C3' . 7090 1 29 . 1 1 2 2 A C4' C 13 82.60 0.01 . 1 . . . . 2 A C4' . 7090 1 30 . 1 1 2 2 A C5' C 13 64.95 0.01 . 1 . . . . 2 A C5' . 7090 1 31 . 1 1 2 2 A P P 31 -0.45 0.01 . 1 . . . . 2 A P . 7090 1 32 . 1 1 3 3 G H1 H 1 12.86 0.01 . 1 . . . . 3 G H1 . 7090 1 33 . 1 1 3 3 G H8 H 1 7.25 0.01 . 1 . . . . 3 G H8 . 7090 1 34 . 1 1 3 3 G N1 N 15 144.97 0.01 . 1 . . . . 3 G N1 . 7090 1 35 . 1 1 3 3 G N9 N 15 169.00 0.01 . 1 . . . . 3 G N9 . 7090 1 36 . 1 1 3 3 G H1' H 1 5.75 0.01 . 1 . . . . 3 G H1' . 7090 1 37 . 1 1 3 3 G H2' H 1 4.53 0.01 . 1 . . . . 3 G H2' . 7090 1 38 . 1 1 3 3 G H3' H 1 4.22 0.01 . 1 . . . . 3 G H3' . 7090 1 39 . 1 1 3 3 G H4' H 1 4.70 0.01 . 1 . . . . 3 G H4' . 7090 1 40 . 1 1 3 3 G H5' H 1 4.19 0.01 . 2 . . . . 3 G H5' . 7090 1 41 . 1 1 3 3 G H5'' H 1 4.49 0.01 . 2 . . . . 3 G H5'' . 7090 1 42 . 1 1 3 3 G C1' C 13 92.30 0.01 . 1 . . . . 3 G C1' . 7090 1 43 . 1 1 3 3 G C2' C 13 74.68 0.01 . 1 . . . . 3 G C2' . 7090 1 44 . 1 1 3 3 G C3' C 13 73.75 0.01 . 1 . . . . 3 G C3' . 7090 1 45 . 1 1 3 3 G C4' C 13 96.10 0.01 . 1 . . . . 3 G C4' . 7090 1 46 . 1 1 3 3 G C5' C 13 67.80 0.01 . 1 . . . . 3 G C5' . 7090 1 47 . 1 1 3 3 G P P 31 -0.45 0.01 . 1 . . . . 3 G P . 7090 1 48 . 1 1 4 4 G H1 H 1 11.53 0.01 . 1 . . . . 4 G H1 . 7090 1 49 . 1 1 4 4 G H8 H 1 7.13 0.01 . 1 . . . . 4 G H8 . 7090 1 50 . 1 1 4 4 G N1 N 15 145.28 0.01 . 1 . . . . 4 G N1 . 7090 1 51 . 1 1 4 4 G H1' H 1 5.77 0.01 . 1 . . . . 4 G H1' . 7090 1 52 . 1 1 4 4 G H2' H 1 4.69 0.01 . 1 . . . . 4 G H2' . 7090 1 53 . 1 1 4 4 G H3' H 1 4.46 0.01 . 1 . . . . 4 G H3' . 7090 1 54 . 1 1 4 4 G H4' H 1 4.22 0.01 . 1 . . . . 4 G H4' . 7090 1 55 . 1 1 4 4 G H5' H 1 4.45 0.01 . 2 . . . . 4 G H5' . 7090 1 56 . 1 1 4 4 G H5'' H 1 4.06 0.01 . 2 . . . . 4 G H5'' . 7090 1 57 . 1 1 4 4 G C1' C 13 93.65 0.01 . 1 . . . . 4 G C1' . 7090 1 58 . 1 1 4 4 G C2' C 13 76.87 0.01 . 1 . . . . 4 G C2' . 7090 1 59 . 1 1 4 4 G C3' C 13 72.34 0.01 . 1 . . . . 4 G C3' . 7090 1 60 . 1 1 4 4 G C4' C 13 83.67 0.01 . 1 . . . . 4 G C4' . 7090 1 61 . 1 1 4 4 G C5' C 13 65.41 0.01 . 1 . . . . 4 G C5' . 7090 1 62 . 1 1 4 4 G P P 31 -0.83 0.01 . 1 . . . . 4 G P . 7090 1 63 . 1 1 5 5 U H3 H 1 14.38 0.01 . 1 . . . . 5 U H3 . 7090 1 64 . 1 1 5 5 U H5 H 1 5.20 0.01 . 1 . . . . 5 U H5 . 7090 1 65 . 1 1 5 5 U H6 H 1 7.69 0.01 . 1 . . . . 5 U H6 . 7090 1 66 . 1 1 5 5 U N1 N 15 163.22 0.01 . 1 . . . . 5 U N1 . 7090 1 67 . 1 1 5 5 U N3 N 15 146.82 0.01 . 1 . . . . 5 U N3 . 7090 1 68 . 1 1 5 5 U H1' H 1 5.50 0.01 . 1 . . . . 5 U H1' . 7090 1 69 . 1 1 5 5 U H2' H 1 4.58 0.01 . 1 . . . . 5 U H2' . 7090 1 70 . 1 1 5 5 U H3' H 1 4.69 0.01 . 1 . . . . 5 U H3' . 7090 1 71 . 1 1 5 5 U H4' H 1 4.20 0.01 . 1 . . . . 5 U H4' . 7090 1 72 . 1 1 5 5 U H5' H 1 4.05 0.01 . 2 . . . . 5 U H5' . 7090 1 73 . 1 1 5 5 U H5'' H 1 4.48 0.01 . 2 . . . . 5 U H5'' . 7090 1 74 . 1 1 5 5 U C1' C 13 90.86 0.01 . 1 . . . . 5 U C1' . 7090 1 75 . 1 1 5 5 U C2' C 13 75.26 0.01 . 1 . . . . 5 U C2' . 7090 1 76 . 1 1 5 5 U C3' C 13 73.81 0.01 . 1 . . . . 5 U C3' . 7090 1 77 . 1 1 5 5 U C4' C 13 83.61 0.01 . 1 . . . . 5 U C4' . 7090 1 78 . 1 1 5 5 U C5' C 13 65.42 0.01 . 1 . . . . 5 U C5' . 7090 1 79 . 1 1 5 5 U P P 31 -0.03 0.01 . 1 . . . . 5 U P . 7090 1 80 . 1 1 6 6 C H41 H 1 8.22 0.01 . 2 . . . . 6 C H41 . 7090 1 81 . 1 1 6 6 C H42 H 1 6.65 0.01 . 2 . . . . 6 C H42 . 7090 1 82 . 1 1 6 6 C H5 H 1 5.51 0.01 . 1 . . . . 6 C H5 . 7090 1 83 . 1 1 6 6 C H6 H 1 7.73 0.01 . 1 . . . . 6 C H6 . 7090 1 84 . 1 1 6 6 C N4 N 15 97.51 0.01 . 1 . . . . 6 C N4 . 7090 1 85 . 1 1 6 6 C H1' H 1 5.57 0.01 . 1 . . . . 6 C H1' . 7090 1 86 . 1 1 6 6 C H2' H 1 4.36 0.01 . 1 . . . . 6 C H2' . 7090 1 87 . 1 1 6 6 C H3' H 1 4.48 0.01 . 1 . . . . 6 C H3' . 7090 1 88 . 1 1 6 6 C H4' H 1 4.84 0.01 . 1 . . . . 6 C H4' . 7090 1 89 . 1 1 6 6 C H5' H 1 4.56 0.01 . 2 . . . . 6 C H5' . 7090 1 90 . 1 1 6 6 C H5'' H 1 4.17 0.01 . 2 . . . . 6 C H5'' . 7090 1 91 . 1 1 6 6 C C1' C 13 93.63 0.01 . 1 . . . . 6 C C1' . 7090 1 92 . 1 1 6 6 C C2' C 13 75.49 0.01 . 1 . . . . 6 C C2' . 7090 1 93 . 1 1 6 6 C C3' C 13 72.48 0.01 . 1 . . . . 6 C C3' . 7090 1 94 . 1 1 6 6 C C4' C 13 84.32 0.01 . 1 . . . . 6 C C4' . 7090 1 95 . 1 1 6 6 C C5' C 13 64.77 0.01 . 1 . . . . 6 C C5' . 7090 1 96 . 1 1 6 6 C P P 31 -0.16 0.01 . 1 . . . . 6 C P . 7090 1 97 . 1 1 7 7 G H8 H 1 7.89 0.01 . 1 . . . . 7 G H8 . 7090 1 98 . 1 1 7 7 G N9 N 15 167.73 0.01 . 1 . . . . 7 G N9 . 7090 1 99 . 1 1 7 7 G H1' H 1 5.73 0.01 . 1 . . . . 7 G H1' . 7090 1 100 . 1 1 7 7 G H2' H 1 4.04 0.01 . 1 . . . . 7 G H2' . 7090 1 101 . 1 1 7 7 G H3' H 1 4.23 0.01 . 1 . . . . 7 G H3' . 7090 1 102 . 1 1 7 7 G H4' H 1 4.77 0.01 . 1 . . . . 7 G H4' . 7090 1 103 . 1 1 7 7 G H5' H 1 4.10 0.01 . 2 . . . . 7 G H5' . 7090 1 104 . 1 1 7 7 G H5'' H 1 4.55 0.01 . 2 . . . . 7 G H5'' . 7090 1 105 . 1 1 7 7 G C1' C 13 92.08 0.01 . 1 . . . . 7 G C1' . 7090 1 106 . 1 1 7 7 G C2' C 13 77.58 0.01 . 1 . . . . 7 G C2' . 7090 1 107 . 1 1 7 7 G C3' C 13 73.48 0.01 . 1 . . . . 7 G C3' . 7090 1 108 . 1 1 7 7 G C4' C 13 83.05 0.01 . 1 . . . . 7 G C4' . 7090 1 109 . 1 1 7 7 G C5' C 13 64.73 0.01 . 1 . . . . 7 G C5' . 7090 1 110 . 1 1 7 7 G P P 31 -0.90 0.01 . 1 . . . . 7 G P . 7090 1 111 . 1 1 8 8 G H8 H 1 7.67 0.01 . 1 . . . . 8 G H8 . 7090 1 112 . 1 1 8 8 G H1' H 1 5.60 0.01 . 1 . . . . 8 G H1' . 7090 1 113 . 1 1 8 8 G H2' H 1 4.35 0.01 . 1 . . . . 8 G H2' . 7090 1 114 . 1 1 8 8 G H3' H 1 4.76 0.01 . 1 . . . . 8 G H3' . 7090 1 115 . 1 1 8 8 G H4' H 1 4.46 0.01 . 1 . . . . 8 G H4' . 7090 1 116 . 1 1 8 8 G H5' H 1 4.14 0.01 . 2 . . . . 8 G H5' . 7090 1 117 . 1 1 8 8 G H5'' H 1 4.51 0.01 . 2 . . . . 8 G H5'' . 7090 1 118 . 1 1 8 8 G C1' C 13 91.95 0.01 . 1 . . . . 8 G C1' . 7090 1 119 . 1 1 8 8 G C2' C 13 75.52 0.01 . 1 . . . . 8 G C2' . 7090 1 120 . 1 1 8 8 G C3' C 13 73.13 0.01 . 1 . . . . 8 G C3' . 7090 1 121 . 1 1 8 8 G C4' C 13 82.02 0.01 . 1 . . . . 8 G C4' . 7090 1 122 . 1 1 8 8 G C5' C 13 67.42 0.01 . 1 . . . . 8 G C5' . 7090 1 123 . 1 1 8 8 G P P 31 -0.00 0.01 . 1 . . . . 8 G P . 7090 1 124 . 1 1 9 9 G H8 H 1 7.80 0.01 . 1 . . . . 9 G H8 . 7090 1 125 . 1 1 9 9 G N9 N 15 168.39 0.01 . 1 . . . . 9 G N9 . 7090 1 126 . 1 1 9 9 G H1' H 1 5.88 0.01 . 1 . . . . 9 G H1' . 7090 1 127 . 1 1 9 9 G H2' H 1 4.88 0.01 . 1 . . . . 9 G H2' . 7090 1 128 . 1 1 9 9 G H3' H 1 4.87 0.01 . 1 . . . . 9 G H3' . 7090 1 129 . 1 1 9 9 G H4' H 1 4.57 0.01 . 1 . . . . 9 G H4' . 7090 1 130 . 1 1 9 9 G H5' H 1 4.36 0.01 . 2 . . . . 9 G H5' . 7090 1 131 . 1 1 9 9 G H5'' H 1 4.30 0.01 . 2 . . . . 9 G H5'' . 7090 1 132 . 1 1 9 9 G C1' C 13 91.89 0.01 . 1 . . . . 9 G C1' . 7090 1 133 . 1 1 9 9 G C2' C 13 76.13 0.01 . 1 . . . . 9 G C2' . 7090 1 134 . 1 1 9 9 G C3' C 13 72.67 0.01 . 1 . . . . 9 G C3' . 7090 1 135 . 1 1 9 9 G C4' C 13 84.43 0.01 . 1 . . . . 9 G C4' . 7090 1 136 . 1 1 9 9 G C5' C 13 66.04 0.01 . 1 . . . . 9 G C5' . 7090 1 137 . 1 1 9 9 G P P 31 0.30 0.01 . 1 . . . . 9 G P . 7090 1 138 . 1 1 10 10 A H2 H 1 7.87 0.01 . 1 . . . . 10 A H2 . 7090 1 139 . 1 1 10 10 A H8 H 1 7.98 0.01 . 1 . . . . 10 A H8 . 7090 1 140 . 1 1 10 10 A N9 N 15 167.11 0.01 . 1 . . . . 10 A N9 . 7090 1 141 . 1 1 10 10 A H1' H 1 5.98 0.01 . 1 . . . . 10 A H1' . 7090 1 142 . 1 1 10 10 A H2' H 1 4.42 0.01 . 1 . . . . 10 A H2' . 7090 1 143 . 1 1 10 10 A H3' H 1 4.68 0.01 . 1 . . . . 10 A H3' . 7090 1 144 . 1 1 10 10 A H4' H 1 4.45 0.01 . 1 . . . . 10 A H4' . 7090 1 145 . 1 1 10 10 A H5' H 1 4.17 0.01 . 2 . . . . 10 A H5' . 7090 1 146 . 1 1 10 10 A H5'' H 1 4.52 0.01 . 2 . . . . 10 A H5'' . 7090 1 147 . 1 1 10 10 A C1' C 13 92.33 0.01 . 1 . . . . 10 A C1' . 7090 1 148 . 1 1 10 10 A C2' C 13 75.71 0.01 . 1 . . . . 10 A C2' . 7090 1 149 . 1 1 10 10 A C3' C 13 73.06 0.01 . 1 . . . . 10 A C3' . 7090 1 150 . 1 1 10 10 A C4' C 13 85.12 0.01 . 1 . . . . 10 A C4' . 7090 1 151 . 1 1 10 10 A C5' C 13 67.77 0.01 . 1 . . . . 10 A C5' . 7090 1 152 . 1 1 10 10 A P P 31 -0.03 0.01 . 1 . . . . 10 A P . 7090 1 153 . 1 1 11 11 U H5 H 1 5.85 0.01 . 1 . . . . 11 U H5 . 7090 1 154 . 1 1 11 11 U H6 H 1 7.85 0.01 . 1 . . . . 11 U H6 . 7090 1 155 . 1 1 11 11 U H1' H 1 5.96 0.01 . 1 . . . . 11 U H1' . 7090 1 156 . 1 1 11 11 U H2' H 1 4.88 0.01 . 1 . . . . 11 U H2' . 7090 1 157 . 1 1 11 11 U H3' H 1 4.58 0.01 . 1 . . . . 11 U H3' . 7090 1 158 . 1 1 11 11 U H4' H 1 4.36 0.01 . 1 . . . . 11 U H4' . 7090 1 159 . 1 1 11 11 U H5' H 1 4.08 0.01 . 2 . . . . 11 U H5' . 7090 1 160 . 1 1 11 11 U H5'' H 1 4.29 0.01 . 2 . . . . 11 U H5'' . 7090 1 161 . 1 1 11 11 U C1' C 13 92.60 0.01 . 1 . . . . 11 U C1' . 7090 1 162 . 1 1 11 11 U C2' C 13 76.21 0.01 . 1 . . . . 11 U C2' . 7090 1 163 . 1 1 11 11 U C3' C 13 72.39 0.01 . 1 . . . . 11 U C3' . 7090 1 164 . 1 1 11 11 U C4' C 13 83.7 0.01 . 1 . . . . 11 U C4' . 7090 1 165 . 1 1 11 11 U C5' C 13 66.27 0.01 . 1 . . . . 11 U C5' . 7090 1 166 . 1 1 11 11 U P P 31 0.03 0.01 . 1 . . . . 11 U P . 7090 1 167 . 1 1 12 12 G H8 H 1 8.27 0.01 . 1 . . . . 12 G H8 . 7090 1 168 . 1 1 12 12 G N9 N 15 168.38 0.01 . 1 . . . . 12 G N9 . 7090 1 169 . 1 1 12 12 G H1' H 1 5.54 0.01 . 1 . . . . 12 G H1' . 7090 1 170 . 1 1 12 12 G H2' H 1 4.62 0.01 . 1 . . . . 12 G H2' . 7090 1 171 . 1 1 12 12 G H3' H 1 4.82 0.01 . 1 . . . . 12 G H3' . 7090 1 172 . 1 1 12 12 G H4' H 1 4.50 0.01 . 1 . . . . 12 G H4' . 7090 1 173 . 1 1 12 12 G H5' H 1 4.22 0.01 . 2 . . . . 12 G H5' . 7090 1 174 . 1 1 12 12 G H5'' H 1 4.12 0.01 . 2 . . . . 12 G H5'' . 7090 1 175 . 1 1 12 12 G C1' C 13 90.35 0.01 . 1 . . . . 12 G C1' . 7090 1 176 . 1 1 12 12 G C2' C 13 75.06 0.01 . 1 . . . . 12 G C2' . 7090 1 177 . 1 1 12 12 G C3' C 13 72.44 0.01 . 1 . . . . 12 G C3' . 7090 1 178 . 1 1 12 12 G C4' C 13 85.37 0.01 . 1 . . . . 12 G C4' . 7090 1 179 . 1 1 12 12 G C5' C 13 65.41 0.01 . 1 . . . . 12 G C5' . 7090 1 180 . 1 1 12 12 G P P 31 0.17 0.01 . 1 . . . . 12 G P . 7090 1 181 . 1 1 13 13 G H1 H 1 12.22 0.01 . 1 . . . . 13 G H1 . 7090 1 182 . 1 1 13 13 G H8 H 1 7.73 0.01 . 1 . . . . 13 G H8 . 7090 1 183 . 1 1 13 13 G N1 N 15 145.13 0.01 . 1 . . . . 13 G N1 . 7090 1 184 . 1 1 13 13 G H1' H 1 5.63 0.01 . 1 . . . . 13 G H1' . 7090 1 185 . 1 1 13 13 G H2' H 1 4.32 0.01 . 1 . . . . 13 G H2' . 7090 1 186 . 1 1 13 13 G H3' H 1 4.48 0.01 . 1 . . . . 13 G H3' . 7090 1 187 . 1 1 13 13 G H4' H 1 4.76 0.01 . 1 . . . . 13 G H4' . 7090 1 188 . 1 1 13 13 G H5' H 1 4.59 0.01 . 2 . . . . 13 G H5' . 7090 1 189 . 1 1 13 13 G H5'' H 1 4.40 0.01 . 2 . . . . 13 G H5'' . 7090 1 190 . 1 1 13 13 G C1' C 13 93.05 0.01 . 1 . . . . 13 G C1' . 7090 1 191 . 1 1 13 13 G C2' C 13 75.70 0.01 . 1 . . . . 13 G C2' . 7090 1 192 . 1 1 13 13 G C3' C 13 72.47 0.01 . 1 . . . . 13 G C3' . 7090 1 193 . 1 1 13 13 G C4' C 13 83.05 0.01 . 1 . . . . 13 G C4' . 7090 1 194 . 1 1 13 13 G C5' C 13 66.22 0.01 . 1 . . . . 13 G C5' . 7090 1 195 . 1 1 13 13 G P P 31 -0.77 0.01 . 1 . . . . 13 G P . 7090 1 196 . 1 1 14 14 A H2 H 1 7.91 0.01 . 1 . . . . 14 A H2 . 7090 1 197 . 1 1 14 14 A H8 H 1 7.89 0.01 . 1 . . . . 14 A H8 . 7090 1 198 . 1 1 14 14 A N9 N 15 167.75 0.01 . 1 . . . . 14 A N9 . 7090 1 199 . 1 1 14 14 A H1' H 1 6.06 0.01 . 1 . . . . 14 A H1' . 7090 1 200 . 1 1 14 14 A H2' H 1 4.71 0.01 . 1 . . . . 14 A H2' . 7090 1 201 . 1 1 14 14 A H3' H 1 4.57 0.01 . 1 . . . . 14 A H3' . 7090 1 202 . 1 1 14 14 A H4' H 1 4.31 0.01 . 1 . . . . 14 A H4' . 7090 1 203 . 1 1 14 14 A H5' H 1 4.53 0.01 . 2 . . . . 14 A H5' . 7090 1 204 . 1 1 14 14 A H5'' H 1 4.03 0.01 . 2 . . . . 14 A H5'' . 7090 1 205 . 1 1 14 14 A C1' C 13 93.16 0.01 . 1 . . . . 14 A C1' . 7090 1 206 . 1 1 14 14 A C2' C 13 75.58 0.01 . 1 . . . . 14 A C2' . 7090 1 207 . 1 1 14 14 A C3' C 13 72.50 0.01 . 1 . . . . 14 A C3' . 7090 1 208 . 1 1 14 14 A C4' C 13 84.79 0.01 . 1 . . . . 14 A C4' . 7090 1 209 . 1 1 14 14 A C5' C 13 66.81 0.01 . 1 . . . . 14 A C5' . 7090 1 210 . 1 1 14 14 A P P 31 -0.19 0.01 . 1 . . . . 14 A P . 7090 1 211 . 1 1 15 15 U H3 H 1 11.91 0.01 . 1 . . . . 15 U H3 . 7090 1 212 . 1 1 15 15 U H5 H 1 5.45 0.01 . 1 . . . . 15 U H5 . 7090 1 213 . 1 1 15 15 U H6 H 1 7.66 0.01 . 1 . . . . 15 U H6 . 7090 1 214 . 1 1 15 15 U N1 N 15 159.32 0.01 . 1 . . . . 15 U N1 . 7090 1 215 . 1 1 15 15 U N3 N 15 157.62 0.01 . 1 . . . . 15 U N3 . 7090 1 216 . 1 1 15 15 U H1' H 1 5.38 0.01 . 1 . . . . 15 U H1' . 7090 1 217 . 1 1 15 15 U H2' H 1 4.13 0.01 . 1 . . . . 15 U H2' . 7090 1 218 . 1 1 15 15 U H3' H 1 4.50 0.01 . 1 . . . . 15 U H3' . 7090 1 219 . 1 1 15 15 U H4' H 1 4.43 0.01 . 1 . . . . 15 U H4' . 7090 1 220 . 1 1 15 15 U H5' H 1 4.12 0.01 . 2 . . . . 15 U H5' . 7090 1 221 . 1 1 15 15 U H5'' H 1 4.52 0.01 . 2 . . . . 15 U H5'' . 7090 1 222 . 1 1 15 15 U C1' C 13 93.12 0.01 . 1 . . . . 15 U C1' . 7090 1 223 . 1 1 15 15 U C2' C 13 75.84 0.01 . 1 . . . . 15 U C2' . 7090 1 224 . 1 1 15 15 U C3' C 13 72.41 0.01 . 1 . . . . 15 U C3' . 7090 1 225 . 1 1 15 15 U C4' C 13 81.94 0.01 . 1 . . . . 15 U C4' . 7090 1 226 . 1 1 15 15 U C5' C 13 64.60 0.01 . 1 . . . . 15 U C5' . 7090 1 227 . 1 1 15 15 U P P 31 -0.54 0.01 . 1 . . . . 15 U P . 7090 1 228 . 1 1 16 16 C H41 H 1 8.47 0.01 . 2 . . . . 16 C H41 . 7090 1 229 . 1 1 16 16 C H42 H 1 6.83 0.01 . 2 . . . . 16 C H42 . 7090 1 230 . 1 1 16 16 C H5 H 1 5.69 0.01 . 1 . . . . 16 C H5 . 7090 1 231 . 1 1 16 16 C H6 H 1 7.94 0.01 . 1 . . . . 16 C H6 . 7090 1 232 . 1 1 16 16 C N4 N 15 97.55 0.01 . 1 . . . . 16 C N4 . 7090 1 233 . 1 1 16 16 C H1' H 1 5.70 0.01 . 1 . . . . 16 C H1' . 7090 1 234 . 1 1 16 16 C H2' H 1 4.59 0.01 . 1 . . . . 16 C H2' . 7090 1 235 . 1 1 16 16 C H3' H 1 4.87 0.01 . 1 . . . . 16 C H3' . 7090 1 236 . 1 1 16 16 C H4' H 1 4.56 0.01 . 1 . . . . 16 C H4' . 7090 1 237 . 1 1 16 16 C H5' H 1 4.42 0.01 . 2 . . . . 16 C H5' . 7090 1 238 . 1 1 16 16 C H5'' H 1 4.29 0.01 . 2 . . . . 16 C H5'' . 7090 1 239 . 1 1 16 16 C C1' C 13 92.72 0.01 . 1 . . . . 16 C C1' . 7090 1 240 . 1 1 16 16 C C2' C 13 74.49 0.01 . 1 . . . . 16 C C2' . 7090 1 241 . 1 1 16 16 C C3' C 13 72.49 0.01 . 1 . . . . 16 C C3' . 7090 1 242 . 1 1 16 16 C C4' C 13 82.85 0.01 . 1 . . . . 16 C C4' . 7090 1 243 . 1 1 16 16 C C5' C 13 66.80 0.01 . 1 . . . . 16 C C5' . 7090 1 244 . 1 1 16 16 C P P 31 -0.54 0.01 . 1 . . . . 16 C P . 7090 1 245 . 1 1 17 17 U H3 H 1 1.2 0.01 . 1 . . . . 17 U H3 . 7090 1 246 . 1 1 17 17 U H5 H 1 5.47 0.01 . 1 . . . . 17 U H5 . 7090 1 247 . 1 1 17 17 U H6 H 1 7.97 0.01 . 1 . . . . 17 U H6 . 7090 1 248 . 1 1 17 17 U N1 N 15 159.63 0.01 . 1 . . . . 17 U N1 . 7090 1 249 . 1 1 17 17 U N3 N 15 150.90 0.01 . 1 . . . . 17 U N3 . 7090 1 250 . 1 1 17 17 U H1' H 1 5.92 0.01 . 1 . . . . 17 U H1' . 7090 1 251 . 1 1 17 17 U H2' H 1 4.06 0.01 . 1 . . . . 17 U H2' . 7090 1 252 . 1 1 17 17 U H3' H 1 4.32 0.01 . 1 . . . . 17 U H3' . 7090 1 253 . 1 1 17 17 U H4' H 1 4.13 0.01 . 1 . . . . 17 U H4' . 7090 1 254 . 1 1 17 17 U H5' H 1 4.48 0.01 . 2 . . . . 17 U H5' . 7090 1 255 . 1 1 17 17 U H5'' H 1 4.20 0.01 . 2 . . . . 17 U H5'' . 7090 1 256 . 1 1 17 17 U C1' C 13 92.07 0.01 . 1 . . . . 17 U C1' . 7090 1 257 . 1 1 17 17 U C2' C 13 77.95 0.01 . 1 . . . . 17 U C2' . 7090 1 258 . 1 1 17 17 U C3' C 13 72.71 0.01 . 1 . . . . 17 U C3' . 7090 1 259 . 1 1 17 17 U C4' C 13 83.92 0.01 . 1 . . . . 17 U C4' . 7090 1 260 . 1 1 17 17 U C5' C 13 65.40 0.01 . 1 . . . . 17 U C5' . 7090 1 261 . 1 1 17 17 U P P 31 -0.02 0.01 . 1 . . . . 17 U P . 7090 1 262 . 1 1 18 18 C H41 H 1 8.29 0.01 . 2 . . . . 18 C H41 . 7090 1 263 . 1 1 18 18 C H42 H 1 6.94 0.01 . 2 . . . . 18 C H42 . 7090 1 264 . 1 1 18 18 C H5 H 1 5.73 0.01 . 1 . . . . 18 C H5 . 7090 1 265 . 1 1 18 18 C H6 H 1 7.81 0.01 . 1 . . . . 18 C H6 . 7090 1 266 . 1 1 18 18 C N4 N 15 97.51 0.01 . 1 . . . . 18 C N4 . 7090 1 267 . 1 1 18 18 C H1' H 1 5.86 0.01 . 1 . . . . 18 C H1' . 7090 1 268 . 1 1 18 18 C H2' H 1 4.02 0.01 . 1 . . . . 18 C H2' . 7090 1 269 . 1 1 18 18 C H3' H 1 4.22 0.01 . 1 . . . . 18 C H3' . 7090 1 270 . 1 1 18 18 C H4' H 1 4.43 0.01 . 1 . . . . 18 C H4' . 7090 1 271 . 1 1 18 18 C H5' H 1 4.54 0.01 . 2 . . . . 18 C H5' . 7090 1 272 . 1 1 18 18 C H5'' H 1 4.11 0.01 . 2 . . . . 18 C H5'' . 7090 1 273 . 1 1 18 18 C C1' C 13 92.57 0.01 . 1 . . . . 18 C C1' . 7090 1 274 . 1 1 18 18 C C2' C 13 77.44 0.01 . 1 . . . . 18 C C2' . 7090 1 275 . 1 1 18 18 C C3' C 13 73.48 0.01 . 1 . . . . 18 C C3' . 7090 1 276 . 1 1 18 18 C C4' C 13 85.01 0.01 . 1 . . . . 18 C C4' . 7090 1 277 . 1 1 18 18 C C5' C 13 64.56 0.01 . 1 . . . . 18 C C5' . 7090 1 stop_ save_