################################### # 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 34323 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H NOESY' . . . 34323 1 2 '2D 1H-1H NOESY' . . . 34323 1 3 '2D 1H-1H NOESY' . . . 34323 1 4 '2D DQF-COSY' . . . 34323 1 5 '2D 1H-13C HSQC' . . . 34323 1 6 '2D 1H-13C HSQC aliphatic' . . . 34323 1 7 '2D 1H-31P COSY' . . . 34323 1 8 '2D 1H-31P hetero TOCSY-NOESY' . . . 34323 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 U H1' H 1 5.59 0.01 . 1 . . . . A 1 U H1' . 34323 1 2 . 1 1 1 1 U H2' H 1 4.58 0.01 . 1 . . . . A 1 U H2' . 34323 1 3 . 1 1 1 1 U H3' H 1 4.55 0.01 . 1 . . . . A 1 U H3' . 34323 1 4 . 1 1 1 1 U H4' H 1 4.35 0.01 . 1 . . . . A 1 U H4' . 34323 1 5 . 1 1 1 1 U H5 H 1 5.87 0.01 . 1 . . . . A 1 U H5 . 34323 1 6 . 1 1 1 1 U H5' H 1 4.05 0.01 . 2 . . . . A 1 U H5' . 34323 1 7 . 1 1 1 1 U H5'' H 1 3.92 0.01 . 2 . . . . A 1 U H5'' . 34323 1 8 . 1 1 1 1 U H6 H 1 8.13 0.01 . 1 . . . . A 1 U H6 . 34323 1 9 . 1 1 1 1 U C1' C 13 93.50 0.10 . 1 . . . . A 1 U C1' . 34323 1 10 . 1 1 1 1 U C3' C 13 73.90 0.10 . 1 . . . . A 1 U C3' . 34323 1 11 . 1 1 1 1 U C5 C 13 104.20 0.10 . 1 . . . . A 1 U C5 . 34323 1 12 . 1 1 1 1 U C5' C 13 61.90 0.10 . 1 . . . . A 1 U C5' . 34323 1 13 . 1 1 1 1 U C6 C 13 143.80 0.10 . 1 . . . . A 1 U C6 . 34323 1 14 . 1 1 2 2 C H1' H 1 5.69 0.01 . 1 . . . . A 2 C H1' . 34323 1 15 . 1 1 2 2 C H2' H 1 4.56 0.01 . 1 . . . . A 2 C H2' . 34323 1 16 . 1 1 2 2 C H3' H 1 4.69 0.01 . 1 . . . . A 2 C H3' . 34323 1 17 . 1 1 2 2 C H4' H 1 4.52 0.01 . 1 . . . . A 2 C H4' . 34323 1 18 . 1 1 2 2 C H5 H 1 5.89 0.01 . 1 . . . . A 2 C H5 . 34323 1 19 . 1 1 2 2 C H5' H 1 4.56 0.01 . 2 . . . . A 2 C H5' . 34323 1 20 . 1 1 2 2 C H5'' H 1 4.23 0.01 . 2 . . . . A 2 C H5'' . 34323 1 21 . 1 1 2 2 C H6 H 1 8.08 0.01 . 1 . . . . A 2 C H6 . 34323 1 22 . 1 1 2 2 C H41 H 1 8.50 0.01 . 1 . . . . A 2 C H41 . 34323 1 23 . 1 1 2 2 C H42 H 1 7.10 0.01 . 1 . . . . A 2 C H42 . 34323 1 24 . 1 1 2 2 C C1' C 13 93.80 0.10 . 1 . . . . A 2 C C1' . 34323 1 25 . 1 1 2 2 C C3' C 13 72.80 0.10 . 1 . . . . A 2 C C3' . 34323 1 26 . 1 1 2 2 C C5 C 13 98.20 0.10 . 1 . . . . A 2 C C5 . 34323 1 27 . 1 1 2 2 C C6 C 13 142.10 0.10 . 1 . . . . A 2 C C6 . 34323 1 28 . 1 1 2 2 C P P 31 -3.91 0.01 . 1 . . . . A 2 C P . 34323 1 29 . 1 1 3 3 A H1' H 1 5.95 0.01 . 1 . . . . A 3 A H1' . 34323 1 30 . 1 1 3 3 A H2 H 1 7.38 0.01 . 1 . . . . A 3 A H2 . 34323 1 31 . 1 1 3 3 A H2' H 1 4.55 0.01 . 1 . . . . A 3 A H2' . 34323 1 32 . 1 1 3 3 A H3' H 1 4.74 0.01 . 1 . . . . A 3 A H3' . 34323 1 33 . 1 1 3 3 A H4' H 1 4.53 0.01 . 1 . . . . A 3 A H4' . 34323 1 34 . 1 1 3 3 A H5' H 1 4.63 0.01 . 2 . . . . A 3 A H5' . 34323 1 35 . 1 1 3 3 A H5'' H 1 4.22 0.01 . 2 . . . . A 3 A H5'' . 34323 1 36 . 1 1 3 3 A H8 H 1 8.16 0.01 . 1 . . . . A 3 A H8 . 34323 1 37 . 1 1 3 3 A C1' C 13 92.90 0.10 . 1 . . . . A 3 A C1' . 34323 1 38 . 1 1 3 3 A C2 C 13 153.30 0.10 . 1 . . . . A 3 A C2 . 34323 1 39 . 1 1 3 3 A C2' C 13 75.60 0.10 . 1 . . . . A 3 A C2' . 34323 1 40 . 1 1 3 3 A C3' C 13 72.70 0.10 . 1 . . . . A 3 A C3' . 34323 1 41 . 1 1 3 3 A C4' C 13 82.00 0.10 . 1 . . . . A 3 A C4' . 34323 1 42 . 1 1 3 3 A C5' C 13 65.10 0.10 . 1 . . . . A 3 A C5' . 34323 1 43 . 1 1 3 3 A C8 C 13 139.60 0.10 . 1 . . . . A 3 A C8 . 34323 1 44 . 1 1 3 3 A P P 31 -3.85 0.01 . 1 . . . . A 3 A P . 34323 1 45 . 1 1 4 4 C H1' H 1 5.43 0.01 . 1 . . . . A 4 C H1' . 34323 1 46 . 1 1 4 4 C H2' H 1 4.37 0.01 . 1 . . . . A 4 C H2' . 34323 1 47 . 1 1 4 4 C H3' H 1 4.44 0.01 . 1 . . . . A 4 C H3' . 34323 1 48 . 1 1 4 4 C H4' H 1 4.42 0.01 . 1 . . . . A 4 C H4' . 34323 1 49 . 1 1 4 4 C H5 H 1 5.24 0.01 . 1 . . . . A 4 C H5 . 34323 1 50 . 1 1 4 4 C H5' H 1 4.54 0.01 . 2 . . . . A 4 C H5' . 34323 1 51 . 1 1 4 4 C H5'' H 1 4.08 0.01 . 2 . . . . A 4 C H5'' . 34323 1 52 . 1 1 4 4 C H6 H 1 7.56 0.01 . 1 . . . . A 4 C H6 . 34323 1 53 . 1 1 4 4 C H41 H 1 8.40 0.01 . 1 . . . . A 4 C H41 . 34323 1 54 . 1 1 4 4 C H42 H 1 6.96 0.01 . 1 . . . . A 4 C H42 . 34323 1 55 . 1 1 4 4 C C1' C 13 93.40 0.10 . 1 . . . . A 4 C C1' . 34323 1 56 . 1 1 4 4 C C2' C 13 75.50 0.10 . 1 . . . . A 4 C C2' . 34323 1 57 . 1 1 4 4 C C5 C 13 97.00 0.10 . 1 . . . . A 4 C C5 . 34323 1 58 . 1 1 4 4 C C6 C 13 140.90 0.10 . 1 . . . . A 4 C C6 . 34323 1 59 . 1 1 4 4 C P P 31 -4.04 0.01 . 1 . . . . A 4 C P . 34323 1 60 . 1 1 5 5 PSU H1' H 1 4.75 0.01 . 1 . . . . A 5 PSU H1' . 34323 1 61 . 1 1 5 5 PSU H2' H 1 4.50 0.01 . 1 . . . . A 5 PSU H2' . 34323 1 62 . 1 1 5 5 PSU H3' H 1 4.56 0.01 . 1 . . . . A 5 PSU H3' . 34323 1 63 . 1 1 5 5 PSU H4' H 1 4.24 0.01 . 1 . . . . A 5 PSU H4' . 34323 1 64 . 1 1 5 5 PSU H5' H 1 4.42 0.01 . 2 . . . . A 5 PSU H5' . 34323 1 65 . 1 1 5 5 PSU H5'' H 1 4.04 0.01 . 2 . . . . A 5 PSU H5'' . 34323 1 66 . 1 1 5 5 PSU H6 H 1 7.32 0.01 . 1 . . . . A 5 PSU H6 . 34323 1 67 . 1 1 5 5 PSU C1' C 13 83.30 0.10 . 1 . . . . A 5 PSU C1' . 34323 1 68 . 1 1 5 5 PSU C2' C 13 74.90 0.10 . 1 . . . . A 5 PSU C2' . 34323 1 69 . 1 1 5 5 PSU C4' C 13 79.60 0.10 . 1 . . . . A 5 PSU C4' . 34323 1 70 . 1 1 5 5 PSU C5' C 13 65.50 0.10 . 1 . . . . A 5 PSU C5' . 34323 1 71 . 1 1 5 5 PSU C6 C 13 140.40 0.10 . 1 . . . . A 5 PSU C6 . 34323 1 72 . 1 1 5 5 PSU P P 31 -3.69 0.01 . 1 . . . . A 5 PSU P . 34323 1 73 . 1 1 5 5 PSU HN1 H 1 10.45 0.01 . 1 . . . . A 5 PSU HN1 . 34323 1 74 . 1 1 5 5 PSU HN3 H 1 13.36 0.01 . 1 . . . . A 5 PSU HN3 . 34323 1 75 . 1 1 6 6 G H1 H 1 11.58 0.01 . 1 . . . . A 6 G H1 . 34323 1 76 . 1 1 6 6 G H1' H 1 5.71 0.01 . 1 . . . . A 6 G H1' . 34323 1 77 . 1 1 6 6 G H2' H 1 4.58 0.01 . 1 . . . . A 6 G H2' . 34323 1 78 . 1 1 6 6 G H3' H 1 4.67 0.01 . 1 . . . . A 6 G H3' . 34323 1 79 . 1 1 6 6 G H4' H 1 4.53 0.01 . 1 . . . . A 6 G H4' . 34323 1 80 . 1 1 6 6 G H5' H 1 4.54 0.01 . 2 . . . . A 6 G H5' . 34323 1 81 . 1 1 6 6 G H5'' H 1 4.12 0.01 . 2 . . . . A 6 G H5'' . 34323 1 82 . 1 1 6 6 G H8 H 1 7.61 0.01 . 1 . . . . A 6 G H8 . 34323 1 83 . 1 1 6 6 G C1' C 13 92.70 0.10 . 1 . . . . A 6 G C1' . 34323 1 84 . 1 1 6 6 G C3' C 13 72.80 0.10 . 1 . . . . A 6 G C3' . 34323 1 85 . 1 1 6 6 G C8 C 13 136.40 0.10 . 1 . . . . A 6 G C8 . 34323 1 86 . 1 1 6 6 G P P 31 -3.61 0.01 . 1 . . . . A 6 G P . 34323 1 87 . 1 1 7 7 A H1' H 1 5.88 0.01 . 1 . . . . A 7 A H1' . 34323 1 88 . 1 1 7 7 A H2 H 1 7.45 0.01 . 1 . . . . A 7 A H2 . 34323 1 89 . 1 1 7 7 A H2' H 1 4.65 0.01 . 1 . . . . A 7 A H2' . 34323 1 90 . 1 1 7 7 A H3' H 1 4.65 0.01 . 1 . . . . A 7 A H3' . 34323 1 91 . 1 1 7 7 A H4' H 1 4.50 0.01 . 1 . . . . A 7 A H4' . 34323 1 92 . 1 1 7 7 A H5' H 1 4.58 0.01 . 2 . . . . A 7 A H5' . 34323 1 93 . 1 1 7 7 A H5'' H 1 4.14 0.01 . 2 . . . . A 7 A H5'' . 34323 1 94 . 1 1 7 7 A H8 H 1 7.76 0.01 . 1 . . . . A 7 A H8 . 34323 1 95 . 1 1 7 7 A C1' C 13 92.80 0.10 . 1 . . . . A 7 A C1' . 34323 1 96 . 1 1 7 7 A C2 C 13 153.30 0.10 . 1 . . . . A 7 A C2 . 34323 1 97 . 1 1 7 7 A C2' C 13 75.60 0.10 . 1 . . . . A 7 A C2' . 34323 1 98 . 1 1 7 7 A C3' C 13 72.70 0.10 . 1 . . . . A 7 A C3' . 34323 1 99 . 1 1 7 7 A C8 C 13 139.20 0.10 . 1 . . . . A 7 A C8 . 34323 1 100 . 1 1 7 7 A P P 31 -3.85 0.01 . 1 . . . . A 7 A P . 34323 1 101 . 1 1 8 8 G H1 H 1 13.60 0.01 . 1 . . . . A 8 G H1 . 34323 1 102 . 1 1 8 8 G H1' H 1 5.59 0.01 . 1 . . . . A 8 G H1' . 34323 1 103 . 1 1 8 8 G H2' H 1 4.32 0.01 . 1 . . . . A 8 G H2' . 34323 1 104 . 1 1 8 8 G H3' H 1 4.37 0.01 . 1 . . . . A 8 G H3' . 34323 1 105 . 1 1 8 8 G H4' H 1 4.42 0.01 . 1 . . . . A 8 G H4' . 34323 1 106 . 1 1 8 8 G H5' H 1 4.47 0.01 . 2 . . . . A 8 G H5' . 34323 1 107 . 1 1 8 8 G H5'' H 1 4.03 0.01 . 2 . . . . A 8 G H5'' . 34323 1 108 . 1 1 8 8 G H8 H 1 7.12 0.01 . 1 . . . . A 8 G H8 . 34323 1 109 . 1 1 8 8 G C1' C 13 92.70 0.10 . 1 . . . . A 8 G C1' . 34323 1 110 . 1 1 8 8 G C2' C 13 75.60 0.10 . 1 . . . . A 8 G C2' . 34323 1 111 . 1 1 8 8 G C3' C 13 72.90 0.10 . 1 . . . . A 8 G C3' . 34323 1 112 . 1 1 8 8 G C8 C 13 135.80 0.10 . 1 . . . . A 8 G C8 . 34323 1 113 . 1 1 8 8 G P P 31 -3.90 0.01 . 1 . . . . A 8 G P . 34323 1 114 . 1 1 9 9 U H1' H 1 5.79 0.01 . 1 . . . . A 9 U H1' . 34323 1 115 . 1 1 9 9 U H2' H 1 4.07 0.01 . 1 . . . . A 9 U H2' . 34323 1 116 . 1 1 9 9 U H3' H 1 4.16 0.01 . 1 . . . . A 9 U H3' . 34323 1 117 . 1 1 9 9 U H4' H 1 4.21 0.01 . 1 . . . . A 9 U H4' . 34323 1 118 . 1 1 9 9 U H5 H 1 5.17 0.01 . 1 . . . . A 9 U H5 . 34323 1 119 . 1 1 9 9 U H5' H 1 4.44 0.01 . 2 . . . . A 9 U H5' . 34323 1 120 . 1 1 9 9 U H5'' H 1 4.04 0.01 . 2 . . . . A 9 U H5'' . 34323 1 121 . 1 1 9 9 U H6 H 1 7.59 0.01 . 1 . . . . A 9 U H6 . 34323 1 122 . 1 1 9 9 U C1' C 13 92.20 0.10 . 1 . . . . A 9 U C1' . 34323 1 123 . 1 1 9 9 U C2' C 13 77.30 0.10 . 1 . . . . A 9 U C2' . 34323 1 124 . 1 1 9 9 U C3' C 13 70.30 0.10 . 1 . . . . A 9 U C3' . 34323 1 125 . 1 1 9 9 U C4' C 13 84.20 0.10 . 1 . . . . A 9 U C4' . 34323 1 126 . 1 1 9 9 U C5 C 13 103.50 0.10 . 1 . . . . A 9 U C5 . 34323 1 127 . 1 1 9 9 U C5' C 13 65.50 0.10 . 1 . . . . A 9 U C5' . 34323 1 128 . 1 1 9 9 U C6 C 13 141.90 0.10 . 1 . . . . A 9 U C6 . 34323 1 129 . 1 1 9 9 U P P 31 -4.31 0.01 . 1 . . . . A 9 U P . 34323 1 130 . 2 2 1 1 A H1' H 1 5.85 0.01 . 1 . . . . B 10 A H1' . 34323 1 131 . 2 2 1 1 A H2 H 1 8.06 0.01 . 1 . . . . B 10 A H2 . 34323 1 132 . 2 2 1 1 A H2' H 1 4.81 0.01 . 1 . . . . B 10 A H2' . 34323 1 133 . 2 2 1 1 A H3' H 1 4.60 0.01 . 1 . . . . B 10 A H3' . 34323 1 134 . 2 2 1 1 A H4' H 1 4.38 0.01 . 1 . . . . B 10 A H4' . 34323 1 135 . 2 2 1 1 A H5' H 1 4.08 0.01 . 2 . . . . B 10 A H5' . 34323 1 136 . 2 2 1 1 A H5'' H 1 3.95 0.01 . 2 . . . . B 10 A H5'' . 34323 1 137 . 2 2 1 1 A H8 H 1 8.42 0.01 . 1 . . . . B 10 A H8 . 34323 1 138 . 2 2 1 1 A C1' C 13 92.90 0.10 . 1 . . . . B 10 A C1' . 34323 1 139 . 2 2 1 1 A C2 C 13 154.30 0.10 . 1 . . . . B 10 A C2 . 34323 1 140 . 2 2 1 1 A C2' C 13 75.30 0.10 . 1 . . . . B 10 A C2' . 34323 1 141 . 2 2 1 1 A C3' C 13 74.00 0.10 . 1 . . . . B 10 A C3' . 34323 1 142 . 2 2 1 1 A C5' C 13 62.00 0.10 . 1 . . . . B 10 A C5' . 34323 1 143 . 2 2 1 1 A C8 C 13 141.40 0.10 . 1 . . . . B 10 A C8 . 34323 1 144 . 2 2 2 2 C H1' H 1 5.50 0.01 . 1 . . . . B 11 C H1' . 34323 1 145 . 2 2 2 2 C H2' H 1 4.30 0.01 . 1 . . . . B 11 C H2' . 34323 1 146 . 2 2 2 2 C H3' H 1 4.50 0.01 . 1 . . . . B 11 C H3' . 34323 1 147 . 2 2 2 2 C H4' H 1 4.49 0.01 . 1 . . . . B 11 C H4' . 34323 1 148 . 2 2 2 2 C H5 H 1 5.33 0.01 . 1 . . . . B 11 C H5 . 34323 1 149 . 2 2 2 2 C H5' H 1 4.55 0.01 . 2 . . . . B 11 C H5' . 34323 1 150 . 2 2 2 2 C H5'' H 1 4.18 0.01 . 2 . . . . B 11 C H5'' . 34323 1 151 . 2 2 2 2 C H6 H 1 7.75 0.01 . 1 . . . . B 11 C H6 . 34323 1 152 . 2 2 2 2 C H41 H 1 8.40 0.01 . 1 . . . . B 11 C H41 . 34323 1 153 . 2 2 2 2 C H42 H 1 6.96 0.01 . 1 . . . . B 11 C H42 . 34323 1 154 . 2 2 2 2 C C1' C 13 94.10 0.10 . 1 . . . . B 11 C C1' . 34323 1 155 . 2 2 2 2 C C2' C 13 75.60 0.10 . 1 . . . . B 11 C C2' . 34323 1 156 . 2 2 2 2 C C3' C 13 72.30 0.10 . 1 . . . . B 11 C C3' . 34323 1 157 . 2 2 2 2 C C5 C 13 97.20 0.10 . 1 . . . . B 11 C C5 . 34323 1 158 . 2 2 2 2 C C5' C 13 64.80 0.10 . 1 . . . . B 11 C C5' . 34323 1 159 . 2 2 2 2 C C6 C 13 141.30 0.10 . 1 . . . . B 11 C C6 . 34323 1 160 . 2 2 2 2 C P P 31 -4.15 0.01 . 1 . . . . B 11 C P . 34323 1 161 . 2 2 3 3 U H1' H 1 5.59 0.01 . 1 . . . . B 12 U H1' . 34323 1 162 . 2 2 3 3 U H2' H 1 4.53 0.01 . 1 . . . . B 12 U H2' . 34323 1 163 . 2 2 3 3 U H3 H 1 14.22 0.01 . 1 . . . . B 12 U H3 . 34323 1 164 . 2 2 3 3 U H3' H 1 4.59 0.01 . 1 . . . . B 12 U H3' . 34323 1 165 . 2 2 3 3 U H4' H 1 4.47 0.01 . 1 . . . . B 12 U H4' . 34323 1 166 . 2 2 3 3 U H5 H 1 5.42 0.01 . 1 . . . . B 12 U H5 . 34323 1 167 . 2 2 3 3 U H5' H 1 4.58 0.01 . 2 . . . . B 12 U H5' . 34323 1 168 . 2 2 3 3 U H5'' H 1 4.15 0.01 . 2 . . . . B 12 U H5'' . 34323 1 169 . 2 2 3 3 U H6 H 1 7.98 0.01 . 1 . . . . B 12 U H6 . 34323 1 170 . 2 2 3 3 U C1' C 13 93.70 0.10 . 1 . . . . B 12 U C1' . 34323 1 171 . 2 2 3 3 U C2' C 13 75.30 0.10 . 1 . . . . B 12 U C2' . 34323 1 172 . 2 2 3 3 U C5 C 13 103.10 0.10 . 1 . . . . B 12 U C5 . 34323 1 173 . 2 2 3 3 U C6 C 13 142.30 0.10 . 1 . . . . B 12 U C6 . 34323 1 174 . 2 2 3 3 U P P 31 -4.36 0.01 . 1 . . . . B 12 U P . 34323 1 175 . 2 2 4 4 C H1' H 1 5.58 0.01 . 1 . . . . B 13 C H1' . 34323 1 176 . 2 2 4 4 C H2' H 1 4.53 0.01 . 1 . . . . B 13 C H2' . 34323 1 177 . 2 2 4 4 C H3' H 1 4.60 0.01 . 1 . . . . B 13 C H3' . 34323 1 178 . 2 2 4 4 C H4' H 1 4.48 0.01 . 1 . . . . B 13 C H4' . 34323 1 179 . 2 2 4 4 C H5 H 1 5.71 0.01 . 1 . . . . B 13 C H5 . 34323 1 180 . 2 2 4 4 C H5' H 1 4.58 0.01 . 2 . . . . B 13 C H5' . 34323 1 181 . 2 2 4 4 C H5'' H 1 4.16 0.01 . 2 . . . . B 13 C H5'' . 34323 1 182 . 2 2 4 4 C H6 H 1 7.90 0.01 . 1 . . . . B 13 C H6 . 34323 1 183 . 2 2 4 4 C H41 H 1 8.22 0.01 . 1 . . . . B 13 C H41 . 34323 1 184 . 2 2 4 4 C H42 H 1 6.93 0.01 . 1 . . . . B 13 C H42 . 34323 1 185 . 2 2 4 4 C C1' C 13 93.80 0.10 . 1 . . . . B 13 C C1' . 34323 1 186 . 2 2 4 4 C C2' C 13 75.40 0.10 . 1 . . . . B 13 C C2' . 34323 1 187 . 2 2 4 4 C C5 C 13 97.90 0.10 . 1 . . . . B 13 C C5 . 34323 1 188 . 2 2 4 4 C C6 C 13 143.70 0.10 . 1 . . . . B 13 C C6 . 34323 1 189 . 2 2 4 4 C P P 31 -3.98 0.01 . 1 . . . . B 13 C P . 34323 1 190 . 2 2 5 5 A H1' H 1 5.88 0.01 . 1 . . . . B 14 A H1' . 34323 1 191 . 2 2 5 5 A H2 H 1 6.90 0.01 . 1 . . . . B 14 A H2 . 34323 1 192 . 2 2 5 5 A H2' H 1 4.69 0.01 . 1 . . . . B 14 A H2' . 34323 1 193 . 2 2 5 5 A H3' H 1 4.70 0.01 . 1 . . . . B 14 A H3' . 34323 1 194 . 2 2 5 5 A H4' H 1 4.53 0.01 . 1 . . . . B 14 A H4' . 34323 1 195 . 2 2 5 5 A H5' H 1 4.57 0.01 . 2 . . . . B 14 A H5' . 34323 1 196 . 2 2 5 5 A H5'' H 1 4.18 0.01 . 2 . . . . B 14 A H5'' . 34323 1 197 . 2 2 5 5 A H8 H 1 8.02 0.01 . 1 . . . . B 14 A H8 . 34323 1 198 . 2 2 5 5 A C1' C 13 92.80 0.10 . 1 . . . . B 14 A C1' . 34323 1 199 . 2 2 5 5 A C2 C 13 152.30 0.10 . 1 . . . . B 14 A C2 . 34323 1 200 . 2 2 5 5 A C2' C 13 75.70 0.10 . 1 . . . . B 14 A C2' . 34323 1 201 . 2 2 5 5 A C3' C 13 73.00 0.10 . 1 . . . . B 14 A C3' . 34323 1 202 . 2 2 5 5 A C5' C 13 65.30 0.10 . 1 . . . . B 14 A C5' . 34323 1 203 . 2 2 5 5 A C8 C 13 139.40 0.10 . 1 . . . . B 14 A C8 . 34323 1 204 . 2 2 5 5 A P P 31 -3.77 0.01 . 1 . . . . B 14 A P . 34323 1 205 . 2 2 6 6 G H1 H 1 13.20 0.01 . 1 . . . . B 15 G H1 . 34323 1 206 . 2 2 6 6 G H1' H 1 5.56 0.01 . 1 . . . . B 15 G H1' . 34323 1 207 . 2 2 6 6 G H2' H 1 4.40 0.01 . 1 . . . . B 15 G H2' . 34323 1 208 . 2 2 6 6 G H3' H 1 4.41 0.01 . 1 . . . . B 15 G H3' . 34323 1 209 . 2 2 6 6 G H4' H 1 4.46 0.01 . 1 . . . . B 15 G H4' . 34323 1 210 . 2 2 6 6 G H5' H 1 4.49 0.01 . 2 . . . . B 15 G H5' . 34323 1 211 . 2 2 6 6 G H5'' H 1 4.06 0.01 . 2 . . . . B 15 G H5'' . 34323 1 212 . 2 2 6 6 G H8 H 1 7.13 0.01 . 1 . . . . B 15 G H8 . 34323 1 213 . 2 2 6 6 G C1' C 13 93.00 0.10 . 1 . . . . B 15 G C1' . 34323 1 214 . 2 2 6 6 G C2' C 13 75.10 0.10 . 1 . . . . B 15 G C2' . 34323 1 215 . 2 2 6 6 G C3' C 13 72.80 0.10 . 1 . . . . B 15 G C3' . 34323 1 216 . 2 2 6 6 G C8 C 13 135.90 0.10 . 1 . . . . B 15 G C8 . 34323 1 217 . 2 2 6 6 G P P 31 -3.91 0.01 . 1 . . . . B 15 G P . 34323 1 218 . 2 2 7 7 U H1' H 1 5.53 0.01 . 1 . . . . B 16 U H1' . 34323 1 219 . 2 2 7 7 U H2' H 1 4.59 0.01 . 1 . . . . B 16 U H2' . 34323 1 220 . 2 2 7 7 U H3 H 1 13.68 0.01 . 1 . . . . B 16 U H3 . 34323 1 221 . 2 2 7 7 U H3' H 1 4.55 0.01 . 1 . . . . B 16 U H3' . 34323 1 222 . 2 2 7 7 U H4' H 1 4.41 0.01 . 1 . . . . B 16 U H4' . 34323 1 223 . 2 2 7 7 U H5 H 1 5.01 0.01 . 1 . . . . B 16 U H5 . 34323 1 224 . 2 2 7 7 U H5' H 1 4.55 0.01 . 2 . . . . B 16 U H5' . 34323 1 225 . 2 2 7 7 U H5'' H 1 4.09 0.01 . 2 . . . . B 16 U H5'' . 34323 1 226 . 2 2 7 7 U H6 H 1 7.70 0.01 . 1 . . . . B 16 U H6 . 34323 1 227 . 2 2 7 7 U C1' C 13 93.40 0.10 . 1 . . . . B 16 U C1' . 34323 1 228 . 2 2 7 7 U C2' C 13 75.30 0.10 . 1 . . . . B 16 U C2' . 34323 1 229 . 2 2 7 7 U C3' C 13 72.20 0.10 . 1 . . . . B 16 U C3' . 34323 1 230 . 2 2 7 7 U C5 C 13 102.90 0.10 . 1 . . . . B 16 U C5 . 34323 1 231 . 2 2 7 7 U C6 C 13 141.00 0.10 . 1 . . . . B 16 U C6 . 34323 1 232 . 2 2 7 7 U P P 31 -4.50 0.01 . 1 . . . . B 16 U P . 34323 1 233 . 2 2 8 8 G H1 H 1 12.01 0.01 . 1 . . . . B 17 G H1 . 34323 1 234 . 2 2 8 8 G H1' H 1 5.75 0.01 . 1 . . . . B 17 G H1' . 34323 1 235 . 2 2 8 8 G H2' H 1 4.46 0.01 . 1 . . . . B 17 G H2' . 34323 1 236 . 2 2 8 8 G H3' H 1 4.59 0.01 . 1 . . . . B 17 G H3' . 34323 1 237 . 2 2 8 8 G H4' H 1 4.49 0.01 . 1 . . . . B 17 G H4' . 34323 1 238 . 2 2 8 8 G H5' H 1 4.49 0.01 . 2 . . . . B 17 G H5' . 34323 1 239 . 2 2 8 8 G H5'' H 1 4.14 0.01 . 2 . . . . B 17 G H5'' . 34323 1 240 . 2 2 8 8 G H8 H 1 7.63 0.01 . 1 . . . . B 17 G H8 . 34323 1 241 . 2 2 8 8 G C1' C 13 92.70 0.10 . 1 . . . . B 17 G C1' . 34323 1 242 . 2 2 8 8 G C2' C 13 75.60 0.10 . 1 . . . . B 17 G C2' . 34323 1 243 . 2 2 8 8 G C3' C 13 73.10 0.10 . 1 . . . . B 17 G C3' . 34323 1 244 . 2 2 8 8 G C5' C 13 65.70 0.10 . 1 . . . . B 17 G C5' . 34323 1 245 . 2 2 8 8 G C8 C 13 136.30 0.10 . 1 . . . . B 17 G C8 . 34323 1 246 . 2 2 8 8 G P P 31 -3.73 0.01 . 1 . . . . B 17 G P . 34323 1 247 . 2 2 9 9 A H1' H 1 6.01 0.01 . 1 . . . . B 18 A H1' . 34323 1 248 . 2 2 9 9 A H2 H 1 7.91 0.01 . 1 . . . . B 18 A H2 . 34323 1 249 . 2 2 9 9 A H2' H 1 4.09 0.01 . 1 . . . . B 18 A H2' . 34323 1 250 . 2 2 9 9 A H3' H 1 4.31 0.01 . 1 . . . . B 18 A H3' . 34323 1 251 . 2 2 9 9 A H4' H 1 4.29 0.01 . 1 . . . . B 18 A H4' . 34323 1 252 . 2 2 9 9 A H5' H 1 4.54 0.01 . 2 . . . . B 18 A H5' . 34323 1 253 . 2 2 9 9 A H5'' H 1 4.09 0.01 . 2 . . . . B 18 A H5'' . 34323 1 254 . 2 2 9 9 A H8 H 1 7.86 0.01 . 1 . . . . B 18 A H8 . 34323 1 255 . 2 2 9 9 A C1' C 13 91.60 0.10 . 1 . . . . B 18 A C1' . 34323 1 256 . 2 2 9 9 A C2 C 13 154.70 0.10 . 1 . . . . B 18 A C2 . 34323 1 257 . 2 2 9 9 A C2' C 13 77.90 0.10 . 1 . . . . B 18 A C2' . 34323 1 258 . 2 2 9 9 A C3' C 13 70.30 0.10 . 1 . . . . B 18 A C3' . 34323 1 259 . 2 2 9 9 A C4' C 13 83.90 0.10 . 1 . . . . B 18 A C4' . 34323 1 260 . 2 2 9 9 A C8 C 13 140.00 0.10 . 1 . . . . B 18 A C8 . 34323 1 261 . 2 2 9 9 A P P 31 -4.01 0.01 . 1 . . . . B 18 A P . 34323 1 stop_ save_