################################### # 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 34796 _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.05 _Assigned_chem_shift_list.Chem_shift_15N_err 0.05 _Assigned_chem_shift_list.Chem_shift_31P_err 0.01 _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H NOESY' . . . 34796 1 2 '2D 1H-13C HSQC' . . . 34796 1 3 '2D 1H-13C HSQC' . . . 34796 1 4 '2D 1H-15N HSQC' . . . 34796 1 5 '2D 1H-15N HSQC' . . . 34796 1 6 '3D qHCP' . . . 34796 1 7 '2D qHCP' . . . 34796 1 8 '2D P-FIDS' . . . 34796 1 9 '3D HCC-TOCSY-CCH-E.COSY' . . . 34796 1 10 '2D HNN-COSY' . . . 34796 1 11 '2D gamma HCCH' . . . 34796 1 12 '2D gamma HCNCH' . . . 34796 1 13 '2D gamma HCP' . . . 34796 1 14 '2D 1H-13C HSQC' . . . 34796 1 15 '2D 1H-15N HSQC' . . . 34796 1 16 '2D HCN' . . . 34796 1 17 '3D forward directed HCCH-TOCSY' . . . 34796 1 18 '3D HCP' . . . 34796 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 5.84 0.01 . 1 . . . . A 1 G H1' . 34796 1 2 . 1 . 1 1 1 G H2' H 1 4.96 0.01 . 1 . . . . A 1 G H2' . 34796 1 3 . 1 . 1 1 1 G H3' H 1 4.72 0.01 . 1 . . . . A 1 G H3' . 34796 1 4 . 1 . 1 1 1 G H4' H 1 4.58 0.01 . 1 . . . . A 1 G H4' . 34796 1 5 . 1 . 1 1 1 G H5' H 1 4.43 0.01 . 2 . . . . A 1 G H5' . 34796 1 6 . 1 . 1 1 1 G H5'' H 1 4.30 0.01 . 2 . . . . A 1 G H5'' . 34796 1 7 . 1 . 1 1 1 G H8 H 1 8.13 0.01 . 1 . . . . A 1 G H8 . 34796 1 8 . 1 . 1 1 1 G C1' C 13 91.38 0.01 . 1 . . . . A 1 G C1' . 34796 1 9 . 1 . 1 1 1 G C2' C 13 75.10 0.01 . 1 . . . . A 1 G C2' . 34796 1 10 . 1 . 1 1 1 G C3' C 13 74.98 0.01 . 1 . . . . A 1 G C3' . 34796 1 11 . 1 . 1 1 1 G C4' C 13 83.53 0.01 . 1 . . . . A 1 G C4' . 34796 1 12 . 1 . 1 1 1 G C5' C 13 67.61 0.01 . 1 . . . . A 1 G C5' . 34796 1 13 . 1 . 1 1 1 G C8 C 13 139.03 0.01 . 1 . . . . A 1 G C8 . 34796 1 14 . 1 . 1 2 2 G H1 H 1 13.26 0.01 . 1 . . . . A 2 G H1 . 34796 1 15 . 1 . 1 2 2 G H1' H 1 5.92 0.01 . 1 . . . . A 2 G H1' . 34796 1 16 . 1 . 1 2 2 G H2' H 1 4.59 0.01 . 1 . . . . A 2 G H2' . 34796 1 17 . 1 . 1 2 2 G H3' H 1 4.56 0.01 . 1 . . . . A 2 G H3' . 34796 1 18 . 1 . 1 2 2 G H4' H 1 4.56 0.01 . 1 . . . . A 2 G H4' . 34796 1 19 . 1 . 1 2 2 G H5' H 1 4.51 0.01 . 2 . . . . A 2 G H5' . 34796 1 20 . 1 . 1 2 2 G H5'' H 1 4.29 0.01 . 2 . . . . A 2 G H5'' . 34796 1 21 . 1 . 1 2 2 G H8 H 1 7.59 0.01 . 1 . . . . A 2 G H8 . 34796 1 22 . 1 . 1 2 2 G C1' C 13 93.10 0.01 . 1 . . . . A 2 G C1' . 34796 1 23 . 1 . 1 2 2 G C2' C 13 75.37 0.01 . 1 . . . . A 2 G C2' . 34796 1 24 . 1 . 1 2 2 G C3' C 13 73.27 0.01 . 1 . . . . A 2 G C3' . 34796 1 25 . 1 . 1 2 2 G C4' C 13 82.65 0.01 . 1 . . . . A 2 G C4' . 34796 1 26 . 1 . 1 2 2 G C5' C 13 66.40 0.01 . 1 . . . . A 2 G C5' . 34796 1 27 . 1 . 1 2 2 G C8 C 13 136.81 0.01 . 1 . . . . A 2 G C8 . 34796 1 28 . 1 . 1 2 2 G N1 N 15 148.54 0.01 . 1 . . . . A 2 G N1 . 34796 1 29 . 1 . 1 2 2 G P P 31 -0.41 0.01 . 1 . . . . A 2 G P . 34796 1 30 . 1 . 1 3 3 C H1' H 1 5.53 0.01 . 1 . . . . A 3 C H1' . 34796 1 31 . 1 . 1 3 3 C H2' H 1 4.59 0.01 . 1 . . . . A 3 C H2' . 34796 1 32 . 1 . 1 3 3 C H3' H 1 4.56 0.01 . 1 . . . . A 3 C H3' . 34796 1 33 . 1 . 1 3 3 C H4' H 1 4.45 0.01 . 1 . . . . A 3 C H4' . 34796 1 34 . 1 . 1 3 3 C H5 H 1 5.30 0.01 . 1 . . . . A 3 C H5 . 34796 1 35 . 1 . 1 3 3 C H5' H 1 4.58 0.01 . 2 . . . . A 3 C H5' . 34796 1 36 . 1 . 1 3 3 C H5'' H 1 4.14 0.01 . 2 . . . . A 3 C H5'' . 34796 1 37 . 1 . 1 3 3 C H6 H 1 7.68 0.01 . 1 . . . . A 3 C H6 . 34796 1 38 . 1 . 1 3 3 C H41 H 1 8.46 0.01 . 1 . . . . A 3 C H41 . 34796 1 39 . 1 . 1 3 3 C H42 H 1 6.81 0.01 . 1 . . . . A 3 C H42 . 34796 1 40 . 1 . 1 3 3 C C1' C 13 93.91 0.01 . 1 . . . . A 3 C C1' . 34796 1 41 . 1 . 1 3 3 C C2' C 13 75.48 0.01 . 1 . . . . A 3 C C2' . 34796 1 42 . 1 . 1 3 3 C C3' C 13 72.35 0.01 . 1 . . . . A 3 C C3' . 34796 1 43 . 1 . 1 3 3 C C4' C 13 81.94 0.01 . 1 . . . . A 3 C C4' . 34796 1 44 . 1 . 1 3 3 C C5 C 13 97.45 0.01 . 1 . . . . A 3 C C5 . 34796 1 45 . 1 . 1 3 3 C C5' C 13 64.65 0.01 . 1 . . . . A 3 C C5' . 34796 1 46 . 1 . 1 3 3 C C6 C 13 140.84 0.01 . 1 . . . . A 3 C C6 . 34796 1 47 . 1 . 1 3 3 C N4 N 15 97.78 0.01 . 1 . . . . A 3 C N4 . 34796 1 48 . 1 . 1 3 3 C P P 31 -0.99 0.01 . 1 . . . . A 3 C P . 34796 1 49 . 1 . 1 4 4 A H1' H 1 5.90 0.01 . 1 . . . . A 4 A H1' . 34796 1 50 . 1 . 1 4 4 A H2 H 1 7.01 0.01 . 1 . . . . A 4 A H2 . 34796 1 51 . 1 . 1 4 4 A H2' H 1 4.52 0.01 . 1 . . . . A 4 A H2' . 34796 1 52 . 1 . 1 4 4 A H3' H 1 4.72 0.01 . 1 . . . . A 4 A H3' . 34796 1 53 . 1 . 1 4 4 A H4' H 1 4.52 0.01 . 1 . . . . A 4 A H4' . 34796 1 54 . 1 . 1 4 4 A H5' H 1 4.56 0.01 . 2 . . . . A 4 A H5' . 34796 1 55 . 1 . 1 4 4 A H5'' H 1 4.18 0.01 . 2 . . . . A 4 A H5'' . 34796 1 56 . 1 . 1 4 4 A H8 H 1 7.95 0.01 . 1 . . . . A 4 A H8 . 34796 1 57 . 1 . 1 4 4 A C1' C 13 93.35 0.01 . 1 . . . . A 4 A C1' . 34796 1 58 . 1 . 1 4 4 A C2 C 13 152.40 0.01 . 1 . . . . A 4 A C2 . 34796 1 59 . 1 . 1 4 4 A C2' C 13 75.59 0.01 . 1 . . . . A 4 A C2' . 34796 1 60 . 1 . 1 4 4 A C3' C 13 73.03 0.01 . 1 . . . . A 4 A C3' . 34796 1 61 . 1 . 1 4 4 A C4' C 13 82.11 0.01 . 1 . . . . A 4 A C4' . 34796 1 62 . 1 . 1 4 4 A C5' C 13 65.46 0.01 . 1 . . . . A 4 A C5' . 34796 1 63 . 1 . 1 4 4 A C8 C 13 139.43 0.01 . 1 . . . . A 4 A C8 . 34796 1 64 . 1 . 1 4 4 A P P 31 -0.50 0.01 . 1 . . . . A 4 A P . 34796 1 65 . 1 . 1 5 5 G H1 H 1 13.11 0.01 . 1 . . . . A 5 G H1 . 34796 1 66 . 1 . 1 5 5 G H1' H 1 5.70 0.01 . 1 . . . . A 5 G H1' . 34796 1 67 . 1 . 1 5 5 G H2' H 1 4.09 0.01 . 1 . . . . A 5 G H2' . 34796 1 68 . 1 . 1 5 5 G H3' H 1 4.62 0.01 . 1 . . . . A 5 G H3' . 34796 1 69 . 1 . 1 5 5 G H4' H 1 4.37 0.01 . 1 . . . . A 5 G H4' . 34796 1 70 . 1 . 1 5 5 G H5' H 1 4.61 0.01 . 2 . . . . A 5 G H5' . 34796 1 71 . 1 . 1 5 5 G H5'' H 1 4.09 0.01 . 2 . . . . A 5 G H5'' . 34796 1 72 . 1 . 1 5 5 G H8 H 1 7.46 0.01 . 1 . . . . A 5 G H8 . 34796 1 73 . 1 . 1 5 5 G C1' C 13 92.85 0.01 . 1 . . . . A 5 G C1' . 34796 1 74 . 1 . 1 5 5 G C2' C 13 75.62 0.01 . 1 . . . . A 5 G C2' . 34796 1 75 . 1 . 1 5 5 G C3' C 13 72.43 0.01 . 1 . . . . A 5 G C3' . 34796 1 76 . 1 . 1 5 5 G C4' C 13 82.18 0.01 . 1 . . . . A 5 G C4' . 34796 1 77 . 1 . 1 5 5 G C5' C 13 64.49 0.01 . 1 . . . . A 5 G C5' . 34796 1 78 . 1 . 1 5 5 G C8 C 13 136.07 0.01 . 1 . . . . A 5 G C8 . 34796 1 79 . 1 . 1 5 5 G N1 N 15 147.02 0.05 . 1 . . . . A 5 G N1 . 34796 1 80 . 1 . 1 5 5 G P P 31 -1.02 0.01 . 1 . . . . A 5 G P . 34796 1 81 . 1 . 1 6 6 C H1' H 1 5.83 0.01 . 1 . . . . A 6 C H1' . 34796 1 82 . 1 . 1 6 6 C H2' H 1 4.21 0.01 . 1 . . . . A 6 C H2' . 34796 1 83 . 1 . 1 6 6 C H3' H 1 4.66 0.01 . 1 . . . . A 6 C H3' . 34796 1 84 . 1 . 1 6 6 C H4' H 1 4.43 0.01 . 1 . . . . A 6 C H4' . 34796 1 85 . 1 . 1 6 6 C H5 H 1 5.51 0.01 . 1 . . . . A 6 C H5 . 34796 1 86 . 1 . 1 6 6 C H5' H 1 4.40 0.01 . 2 . . . . A 6 C H5' . 34796 1 87 . 1 . 1 6 6 C H5'' H 1 4.01 0.01 . 2 . . . . A 6 C H5'' . 34796 1 88 . 1 . 1 6 6 C H6 H 1 7.47 0.01 . 1 . . . . A 6 C H6 . 34796 1 89 . 1 . 1 6 6 C H41 H 1 8.46 0.01 . 1 . . . . A 6 C H41 . 34796 1 90 . 1 . 1 6 6 C H42 H 1 6.79 0.01 . 1 . . . . A 6 C H42 . 34796 1 91 . 1 . 1 6 6 C C1' C 13 89.39 0.01 . 1 . . . . A 6 C C1' . 34796 1 92 . 1 . 1 6 6 C C2' C 13 75.73 0.01 . 1 . . . . A 6 C C2' . 34796 1 93 . 1 . 1 6 6 C C3' C 13 80.15 0.01 . 1 . . . . A 6 C C3' . 34796 1 94 . 1 . 1 6 6 C C4' C 13 85.16 0.01 . 1 . . . . A 6 C C4' . 34796 1 95 . 1 . 1 6 6 C C5 C 13 99.45 0.01 . 1 . . . . A 6 C C5 . 34796 1 96 . 1 . 1 6 6 C C5' C 13 67.15 0.01 . 1 . . . . A 6 C C5' . 34796 1 97 . 1 . 1 6 6 C C6 C 13 141.70 0.01 . 1 . . . . A 6 C C6 . 34796 1 98 . 1 . 1 6 6 C N4 N 15 98.86 0.05 . 1 . . . . A 6 C N4 . 34796 1 99 . 1 . 1 6 6 C P P 31 -1.39 0.01 . 1 . . . . A 6 C P . 34796 1 100 . 1 . 1 7 7 U H1' H 1 6.12 0.01 . 1 . . . . A 7 U H1' . 34796 1 101 . 1 . 1 7 7 U H2' H 1 4.50 0.01 . 1 . . . . A 7 U H2' . 34796 1 102 . 1 . 1 7 7 U H3' H 1 4.57 0.01 . 1 . . . . A 7 U H3' . 34796 1 103 . 1 . 1 7 7 U H4' H 1 4.36 0.01 . 1 . . . . A 7 U H4' . 34796 1 104 . 1 . 1 7 7 U H5 H 1 6.01 0.01 . 1 . . . . A 7 U H5 . 34796 1 105 . 1 . 1 7 7 U H5' H 1 4.20 0.01 . 2 . . . . A 7 U H5' . 34796 1 106 . 1 . 1 7 7 U H5'' H 1 4.09 0.01 . 2 . . . . A 7 U H5'' . 34796 1 107 . 1 . 1 7 7 U H6 H 1 8.09 0.01 . 1 . . . . A 7 U H6 . 34796 1 108 . 1 . 1 7 7 U C1' C 13 89.32 0.01 . 1 . . . . A 7 U C1' . 34796 1 109 . 1 . 1 7 7 U C2' C 13 76.37 0.01 . 1 . . . . A 7 U C2' . 34796 1 110 . 1 . 1 7 7 U C3' C 13 79.90 0.01 . 1 . . . . A 7 U C3' . 34796 1 111 . 1 . 1 7 7 U C4' C 13 86.89 0.01 . 1 . . . . A 7 U C4' . 34796 1 112 . 1 . 1 7 7 U C5 C 13 105.48 0.01 . 1 . . . . A 7 U C5 . 34796 1 113 . 1 . 1 7 7 U C5' C 13 67.90 0.01 . 1 . . . . A 7 U C5' . 34796 1 114 . 1 . 1 7 7 U C6 C 13 144.33 0.01 . 1 . . . . A 7 U C6 . 34796 1 115 . 1 . 1 7 7 U P P 31 -0.68 0.01 . 1 . . . . A 7 U P . 34796 1 116 . 1 . 1 8 8 U H1' H 1 4.97 0.01 . 1 . . . . A 8 U H1' . 34796 1 117 . 1 . 1 8 8 U H2' H 1 3.97 0.01 . 1 . . . . A 8 U H2' . 34796 1 118 . 1 . 1 8 8 U H3' H 1 4.45 0.01 . 1 . . . . A 8 U H3' . 34796 1 119 . 1 . 1 8 8 U H4' H 1 4.31 0.01 . 1 . . . . A 8 U H4' . 34796 1 120 . 1 . 1 8 8 U H5 H 1 5.33 0.01 . 1 . . . . A 8 U H5 . 34796 1 121 . 1 . 1 8 8 U H5' H 1 4.08 0.01 . 2 . . . . A 8 U H5' . 34796 1 122 . 1 . 1 8 8 U H5'' H 1 3.89 0.01 . 2 . . . . A 8 U H5'' . 34796 1 123 . 1 . 1 8 8 U H6 H 1 7.74 0.01 . 1 . . . . A 8 U H6 . 34796 1 124 . 1 . 1 8 8 U C1' C 13 89.44 0.01 . 1 . . . . A 8 U C1' . 34796 1 125 . 1 . 1 8 8 U C2' C 13 77.75 0.01 . 1 . . . . A 8 U C2' . 34796 1 126 . 1 . 1 8 8 U C3' C 13 80.54 0.01 . 1 . . . . A 8 U C3' . 34796 1 127 . 1 . 1 8 8 U C4' C 13 85.32 0.01 . 1 . . . . A 8 U C4' . 34796 1 128 . 1 . 1 8 8 U C5 C 13 104.32 0.01 . 1 . . . . A 8 U C5 . 34796 1 129 . 1 . 1 8 8 U C5' C 13 68.40 0.01 . 1 . . . . A 8 U C5' . 34796 1 130 . 1 . 1 8 8 U C6 C 13 144.20 0.01 . 1 . . . . A 8 U C6 . 34796 1 131 . 1 . 1 8 8 U P P 31 -1.85 0.01 . 1 . . . . A 8 U P . 34796 1 132 . 1 . 1 9 9 G H1 H 1 13.16 0.01 . 1 . . . . A 9 G H1 . 34796 1 133 . 1 . 1 9 9 G H1' H 1 5.64 0.01 . 1 . . . . A 9 G H1' . 34796 1 134 . 1 . 1 9 9 G H2' H 1 4.97 0.01 . 1 . . . . A 9 G H2' . 34796 1 135 . 1 . 1 9 9 G H3' H 1 4.83 0.01 . 1 . . . . A 9 G H3' . 34796 1 136 . 1 . 1 9 9 G H4' H 1 4.46 0.01 . 1 . . . . A 9 G H4' . 34796 1 137 . 1 . 1 9 9 G H5' H 1 4.04 0.01 . 2 . . . . A 9 G H5' . 34796 1 138 . 1 . 1 9 9 G H5'' H 1 3.98 0.01 . 2 . . . . A 9 G H5'' . 34796 1 139 . 1 . 1 9 9 G H8 H 1 8.01 0.01 . 1 . . . . A 9 G H8 . 34796 1 140 . 1 . 1 9 9 G C1' C 13 86.80 0.01 . 1 . . . . A 9 G C1' . 34796 1 141 . 1 . 1 9 9 G C2' C 13 74.30 0.01 . 1 . . . . A 9 G C2' . 34796 1 142 . 1 . 1 9 9 G C3' C 13 77.64 0.01 . 1 . . . . A 9 G C3' . 34796 1 143 . 1 . 1 9 9 G C4' C 13 85.40 0.01 . 1 . . . . A 9 G C4' . 34796 1 144 . 1 . 1 9 9 G C5' C 13 69.80 0.01 . 1 . . . . A 9 G C5' . 34796 1 145 . 1 . 1 9 9 G C8 C 13 137.60 0.01 . 1 . . . . A 9 G C8 . 34796 1 146 . 1 . 1 9 9 G N1 N 15 147.97 0.05 . 1 . . . . A 9 G N1 . 34796 1 147 . 1 . 1 9 9 G P P 31 -0.67 0.01 . 1 . . . . A 9 G P . 34796 1 148 . 1 . 1 10 10 C H1' H 1 5.77 0.01 . 1 . . . . A 10 C H1' . 34796 1 149 . 1 . 1 10 10 C H2' H 1 4.60 0.01 . 1 . . . . A 10 C H2' . 34796 1 150 . 1 . 1 10 10 C H3' H 1 4.31 0.01 . 1 . . . . A 10 C H3' . 34796 1 151 . 1 . 1 10 10 C H4' H 1 4.64 0.01 . 1 . . . . A 10 C H4' . 34796 1 152 . 1 . 1 10 10 C H5 H 1 5.38 0.01 . 1 . . . . A 10 C H5 . 34796 1 153 . 1 . 1 10 10 C H5' H 1 4.34 0.01 . 2 . . . . A 10 C H5' . 34796 1 154 . 1 . 1 10 10 C H5'' H 1 4.61 0.01 . 2 . . . . A 10 C H5'' . 34796 1 155 . 1 . 1 10 10 C H6 H 1 7.60 0.01 . 1 . . . . A 10 C H6 . 34796 1 156 . 1 . 1 10 10 C H41 H 1 8.49 0.05 . 1 . . . . A 10 C H41 . 34796 1 157 . 1 . 1 10 10 C H42 H 1 6.63 0.05 . 1 . . . . A 10 C H42 . 34796 1 158 . 1 . 1 10 10 C C1' C 13 94.38 0.01 . 1 . . . . A 10 C C1' . 34796 1 159 . 1 . 1 10 10 C C2' C 13 74.94 0.01 . 1 . . . . A 10 C C2' . 34796 1 160 . 1 . 1 10 10 C C3' C 13 74.66 0.01 . 1 . . . . A 10 C C3' . 34796 1 161 . 1 . 1 10 10 C C4' C 13 83.81 0.01 . 1 . . . . A 10 C C4' . 34796 1 162 . 1 . 1 10 10 C C5 C 13 97.82 0.01 . 1 . . . . A 10 C C5 . 34796 1 163 . 1 . 1 10 10 C C5' C 13 69.96 0.01 . 1 . . . . A 10 C C5' . 34796 1 164 . 1 . 1 10 10 C C6 C 13 142.48 0.01 . 1 . . . . A 10 C C6 . 34796 1 165 . 1 . 1 10 10 C N4 N 15 96.60 0.01 . 1 . . . . A 10 C N4 . 34796 1 166 . 1 . 1 10 10 C P P 31 1.47 0.01 . 1 . . . . A 10 C P . 34796 1 167 . 1 . 1 11 11 U H1' H 1 5.67 0.01 . 1 . . . . A 11 U H1' . 34796 1 168 . 1 . 1 11 11 U H2' H 1 4.66 0.01 . 1 . . . . A 11 U H2' . 34796 1 169 . 1 . 1 11 11 U H3 H 1 13.67 0.01 . 1 . . . . A 11 U H3 . 34796 1 170 . 1 . 1 11 11 U H3' H 1 4.64 0.01 . 1 . . . . A 11 U H3' . 34796 1 171 . 1 . 1 11 11 U H4' H 1 4.51 0.01 . 1 . . . . A 11 U H4' . 34796 1 172 . 1 . 1 11 11 U H5 H 1 5.47 0.01 . 1 . . . . A 11 U H5 . 34796 1 173 . 1 . 1 11 11 U H5' H 1 4.59 0.01 . 2 . . . . A 11 U H5' . 34796 1 174 . 1 . 1 11 11 U H5'' H 1 4.22 0.01 . 2 . . . . A 11 U H5'' . 34796 1 175 . 1 . 1 11 11 U H6 H 1 7.95 0.01 . 1 . . . . A 11 U H6 . 34796 1 176 . 1 . 1 11 11 U C1' C 13 93.52 0.01 . 1 . . . . A 11 U C1' . 34796 1 177 . 1 . 1 11 11 U C2' C 13 75.34 0.01 . 1 . . . . A 11 U C2' . 34796 1 178 . 1 . 1 11 11 U C3' C 13 72.80 0.01 . 1 . . . . A 11 U C3' . 34796 1 179 . 1 . 1 11 11 U C4' C 13 82.03 0.01 . 1 . . . . A 11 U C4' . 34796 1 180 . 1 . 1 11 11 U C5 C 13 103.73 0.01 . 1 . . . . A 11 U C5 . 34796 1 181 . 1 . 1 11 11 U C5' C 13 65.23 0.01 . 1 . . . . A 11 U C5' . 34796 1 182 . 1 . 1 11 11 U C6 C 13 141.94 0.01 . 1 . . . . A 11 U C6 . 34796 1 183 . 1 . 1 11 11 U N3 N 15 161.90 0.05 . 1 . . . . A 11 U N3 . 34796 1 184 . 1 . 1 11 11 U P P 31 -0.91 0.01 . 1 . . . . A 11 U P . 34796 1 185 . 1 . 1 12 12 G H1 H 1 12.61 0.01 . 1 . . . . A 12 G H1 . 34796 1 186 . 1 . 1 12 12 G H1' H 1 5.80 0.01 . 1 . . . . A 12 G H1' . 34796 1 187 . 1 . 1 12 12 G H2' H 1 4.50 0.01 . 1 . . . . A 12 G H2' . 34796 1 188 . 1 . 1 12 12 G H3' H 1 4.61 0.01 . 1 . . . . A 12 G H3' . 34796 1 189 . 1 . 1 12 12 G H4' H 1 4.64 0.01 . 1 . . . . A 12 G H4' . 34796 1 190 . 1 . 1 12 12 G H5' H 1 4.55 0.01 . 2 . . . . A 12 G H5' . 34796 1 191 . 1 . 1 12 12 G H5'' H 1 4.17 0.01 . 2 . . . . A 12 G H5'' . 34796 1 192 . 1 . 1 12 12 G H8 H 1 7.77 0.01 . 1 . . . . A 12 G H8 . 34796 1 193 . 1 . 1 12 12 G C1' C 13 92.86 0.01 . 1 . . . . A 12 G C1' . 34796 1 194 . 1 . 1 12 12 G C2' C 13 75.38 0.01 . 1 . . . . A 12 G C2' . 34796 1 195 . 1 . 1 12 12 G C3' C 13 72.88 0.01 . 1 . . . . A 12 G C3' . 34796 1 196 . 1 . 1 12 12 G C4' C 13 82.11 0.01 . 1 . . . . A 12 G C4' . 34796 1 197 . 1 . 1 12 12 G C5' C 13 65.52 0.01 . 1 . . . . A 12 G C5' . 34796 1 198 . 1 . 1 12 12 G C8 C 13 136.22 0.01 . 1 . . . . A 12 G C8 . 34796 1 199 . 1 . 1 12 12 G N1 N 15 147.92 0.05 . 1 . . . . A 12 G N1 . 34796 1 200 . 1 . 1 12 12 G P P 31 -0.74 0.01 . 1 . . . . A 12 G P . 34796 1 201 . 1 . 1 13 13 C H1' H 1 5.47 0.01 . 1 . . . . A 13 C H1' . 34796 1 202 . 1 . 1 13 13 C H2' H 1 4.16 0.01 . 1 . . . . A 13 C H2' . 34796 1 203 . 1 . 1 13 13 C H3' H 1 4.44 0.01 . 1 . . . . A 13 C H3' . 34796 1 204 . 1 . 1 13 13 C H4' H 1 4.37 0.01 . 1 . . . . A 13 C H4' . 34796 1 205 . 1 . 1 13 13 C H5 H 1 5.26 0.01 . 1 . . . . A 13 C H5 . 34796 1 206 . 1 . 1 13 13 C H5' H 1 4.55 0.01 . 2 . . . . A 13 C H5' . 34796 1 207 . 1 . 1 13 13 C H5'' H 1 4.05 0.01 . 2 . . . . A 13 C H5'' . 34796 1 208 . 1 . 1 13 13 C H6 H 1 7.65 0.01 . 1 . . . . A 13 C H6 . 34796 1 209 . 1 . 1 13 13 C H41 H 1 8.23 0.01 . 1 . . . . A 13 C H41 . 34796 1 210 . 1 . 1 13 13 C H42 H 1 6.78 0.01 . 1 . . . . A 13 C H42 . 34796 1 211 . 1 . 1 13 13 C C1' C 13 94.39 0.01 . 1 . . . . A 13 C C1' . 34796 1 212 . 1 . 1 13 13 C C2' C 13 75.70 0.01 . 1 . . . . A 13 C C2' . 34796 1 213 . 1 . 1 13 13 C C3' C 13 72.16 0.01 . 1 . . . . A 13 C C3' . 34796 1 214 . 1 . 1 13 13 C C4' C 13 82.18 0.01 . 1 . . . . A 13 C C4' . 34796 1 215 . 1 . 1 13 13 C C5 C 13 96.98 0.01 . 1 . . . . A 13 C C5 . 34796 1 216 . 1 . 1 13 13 C C5' C 13 64.46 0.01 . 1 . . . . A 13 C C5' . 34796 1 217 . 1 . 1 13 13 C C6 C 13 141.13 0.01 . 1 . . . . A 13 C C6 . 34796 1 218 . 1 . 1 13 13 C N4 N 15 100.42 0.01 . 1 . . . . A 13 C N4 . 34796 1 219 . 1 . 1 13 13 C P P 31 -1.19 0.01 . 1 . . . . A 13 C P . 34796 1 220 . 1 . 1 14 14 C H1' H 1 6.10 0.01 . 1 . . . . A 14 C H1' . 34796 1 221 . 1 . 1 14 14 C H2' H 1 4.63 0.01 . 1 . . . . A 14 C H2' . 34796 1 222 . 1 . 1 14 14 C H3' H 1 4.94 0.01 . 1 . . . . A 14 C H3' . 34796 1 223 . 1 . 1 14 14 C H4' H 1 4.41 0.01 . 1 . . . . A 14 C H4' . 34796 1 224 . 1 . 1 14 14 C H5 H 1 5.54 0.01 . 1 . . . . A 14 C H5 . 34796 1 225 . 1 . 1 14 14 C H5' H 1 4.50 0.01 . 2 . . . . A 14 C H5' . 34796 1 226 . 1 . 1 14 14 C H5'' H 1 4.09 0.01 . 2 . . . . A 14 C H5'' . 34796 1 227 . 1 . 1 14 14 C H6 H 1 7.48 0.01 . 1 . . . . A 14 C H6 . 34796 1 228 . 1 . 1 14 14 C H41 H 1 8.49 0.01 . 1 . . . . A 14 C H41 . 34796 1 229 . 1 . 1 14 14 C H42 H 1 7.00 0.01 . 1 . . . . A 14 C H42 . 34796 1 230 . 1 . 1 14 14 C C1' C 13 92.02 0.01 . 1 . . . . A 14 C C1' . 34796 1 231 . 1 . 1 14 14 C C2' C 13 85.19 0.01 . 1 . . . . A 14 C C2' . 34796 1 232 . 1 . 1 14 14 C C3' C 13 77.89 0.01 . 1 . . . . A 14 C C3' . 34796 1 233 . 1 . 1 14 14 C C4' C 13 85.56 0.01 . 1 . . . . A 14 C C4' . 34796 1 234 . 1 . 1 14 14 C C5 C 13 99.16 0.01 . 1 . . . . A 14 C C5 . 34796 1 235 . 1 . 1 14 14 C C5' C 13 65.73 0.01 . 1 . . . . A 14 C C5' . 34796 1 236 . 1 . 1 14 14 C C6 C 13 141.70 0.01 . 1 . . . . A 14 C C6 . 34796 1 237 . 1 . 1 14 14 C N4 N 15 98.99 0.02 . 1 . . . . A 14 C N4 . 34796 1 238 . 1 . 1 14 14 C P P 31 -1.02 0.01 . 1 . . . . A 14 C P . 34796 1 stop_ save_