################################### # 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 34100 _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 'Imino and Amino at 278K' _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' . . . 34100 1 2 '2D 1H-1H NOESY' . . . 34100 1 3 '2D 1H-1H NOESY' . . . 34100 1 4 '3D 1H-13C NOESY' . . . 34100 1 5 '2D 12C-filtered 1H-1H NOESY' . . . 34100 1 6 '2D 13C-editted 1H-1H NOESY' . . . 34100 1 7 '2D 1H-1H TOCSY' . . . 34100 1 8 '2D 1H-1H COSY' . . . 34100 1 9 '2D 1H-13C HSQC' . . . 34100 1 10 '2D 1H-13C HSQC aromatic' . . . 34100 1 11 '2D 1H-13C HSQC sugar' . . . 34100 1 12 '2D 1H-15N HSQC' . . . 34100 1 13 '3D HCCH-TOCSY' . . . 34100 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 A H1' H 1 5.96 0.02 . 1 . . . . A 1 A H1' . 34100 1 2 . 1 . 1 1 1 A H2 H 1 8.10 0.02 . 1 . . . . A 1 A H2 . 34100 1 3 . 1 . 1 1 1 A H2' H 1 4.83 0.02 . 1 . . . . A 1 A H2' . 34100 1 4 . 1 . 1 1 1 A H3' H 1 4.62 0.02 . 1 . . . . A 1 A H3' . 34100 1 5 . 1 . 1 1 1 A H4' H 1 4.38 0.02 . 1 . . . . A 1 A H4' . 34100 1 6 . 1 . 1 1 1 A H5' H 1 3.95 0.02 . 2 . . . . A 1 A H5' . 34100 1 7 . 1 . 1 1 1 A H5'' H 1 3.84 0.02 . 2 . . . . A 1 A H5'' . 34100 1 8 . 1 . 1 1 1 A H8 H 1 8.25 0.02 . 1 . . . . A 1 A H8 . 34100 1 9 . 1 . 1 1 1 A C1' C 13 92.0 0.10 . 1 . . . . A 1 A C1' . 34100 1 10 . 1 . 1 1 1 A C2 C 13 154.9 0.10 . 1 . . . . A 1 A C2 . 34100 1 11 . 1 . 1 1 1 A C2' C 13 75.7 0.10 . 1 . . . . A 1 A C2' . 34100 1 12 . 1 . 1 1 1 A C3' C 13 75.9 0.10 . 1 . . . . A 1 A C3' . 34100 1 13 . 1 . 1 1 1 A C4' C 13 86.5 0.10 . 1 . . . . A 1 A C4' . 34100 1 14 . 1 . 1 1 1 A C5' C 13 63.2 0.10 . 1 . . . . A 1 A C5' . 34100 1 15 . 1 . 1 1 1 A C8 C 13 142.6 0.10 . 1 . . . . A 1 A C8 . 34100 1 16 . 1 . 1 2 2 U H1' H 1 5.79 0.02 . 1 . . . . A 2 U H1' . 34100 1 17 . 1 . 1 2 2 U H2' H 1 4.34 0.02 . 1 . . . . A 2 U H2' . 34100 1 18 . 1 . 1 2 2 U H3' H 1 4.63 0.02 . 1 . . . . A 2 U H3' . 34100 1 19 . 1 . 1 2 2 U H4' H 1 4.49 0.02 . 1 . . . . A 2 U H4' . 34100 1 20 . 1 . 1 2 2 U H5 H 1 5.66 0.02 . 1 . . . . A 2 U H5 . 34100 1 21 . 1 . 1 2 2 U H5' H 1 4.13 0.02 . 2 . . . . A 2 U H5' . 34100 1 22 . 1 . 1 2 2 U H5'' H 1 4.13 0.02 . 2 . . . . A 2 U H5'' . 34100 1 23 . 1 . 1 2 2 U H6 H 1 7.81 0.02 . 1 . . . . A 2 U H6 . 34100 1 24 . 1 . 1 3 3 U H1' H 1 5.51 0.02 . 1 . . . . A 3 U H1' . 34100 1 25 . 1 . 1 3 3 U H2' H 1 4.54 0.02 . 1 . . . . A 3 U H2' . 34100 1 26 . 1 . 1 3 3 U H3' H 1 4.43 0.02 . 1 . . . . A 3 U H3' . 34100 1 27 . 1 . 1 3 3 U H5 H 1 5.80 0.02 . 1 . . . . A 3 U H5 . 34100 1 28 . 1 . 1 3 3 U H5' H 1 4.15 0.02 . 2 . . . . A 3 U H5' . 34100 1 29 . 1 . 1 3 3 U H5'' H 1 4.15 0.02 . 2 . . . . A 3 U H5'' . 34100 1 30 . 1 . 1 3 3 U H6 H 1 8.04 0.02 . 1 . . . . A 3 U H6 . 34100 1 31 . 1 . 1 3 3 U C1' C 13 93.5 0.10 . 1 . . . . A 3 U C1' . 34100 1 32 . 1 . 1 3 3 U C5 C 13 104.0 0.10 . 1 . . . . A 3 U C5 . 34100 1 33 . 1 . 1 4 4 C H1' H 1 5.56 0.02 . 1 . . . . A 4 C H1' . 34100 1 34 . 1 . 1 4 4 C H2' H 1 4.36 0.02 . 1 . . . . A 4 C H2' . 34100 1 35 . 1 . 1 4 4 C H3' H 1 4.44 0.02 . 1 . . . . A 4 C H3' . 34100 1 36 . 1 . 1 4 4 C H5 H 1 5.72 0.02 . 1 . . . . A 4 C H5 . 34100 1 37 . 1 . 1 4 4 C H5' H 1 4.13 0.02 . 2 . . . . A 4 C H5' . 34100 1 38 . 1 . 1 4 4 C H5'' H 1 4.13 0.02 . 2 . . . . A 4 C H5'' . 34100 1 39 . 1 . 1 4 4 C H6 H 1 7.89 0.02 . 1 . . . . A 4 C H6 . 34100 1 40 . 1 . 1 4 4 C H41 H 1 8.16 0.02 . 2 . . . . A 4 C H41 . 34100 1 41 . 1 . 1 4 4 C H42 H 1 6.76 0.02 . 2 . . . . A 4 C H42 . 34100 1 42 . 1 . 1 4 4 C C1' C 13 94.2 0.10 . 1 . . . . A 4 C C1' . 34100 1 43 . 1 . 1 5 5 C H1' H 1 5.40 0.02 . 1 . . . . A 5 C H1' . 34100 1 44 . 1 . 1 5 5 C H2' H 1 4.30 0.02 . 1 . . . . A 5 C H2' . 34100 1 45 . 1 . 1 5 5 C H3' H 1 4.43 0.02 . 1 . . . . A 5 C H3' . 34100 1 46 . 1 . 1 5 5 C H5 H 1 5.47 0.02 . 1 . . . . A 5 C H5 . 34100 1 47 . 1 . 1 5 5 C H5' H 1 4.04 0.02 . 2 . . . . A 5 C H5' . 34100 1 48 . 1 . 1 5 5 C H5'' H 1 4.04 0.02 . 2 . . . . A 5 C H5'' . 34100 1 49 . 1 . 1 5 5 C H6 H 1 7.76 0.02 . 1 . . . . A 5 C H6 . 34100 1 50 . 1 . 1 5 5 C H41 H 1 8.12 0.02 . 2 . . . . A 5 C H41 . 34100 1 51 . 1 . 1 5 5 C H42 H 1 6.64 0.02 . 2 . . . . A 5 C H42 . 34100 1 52 . 1 . 1 5 5 C C1' C 13 94.3 0.10 . 1 . . . . A 5 C C1' . 34100 1 53 . 1 . 1 6 6 U H1' H 1 5.44 0.02 . 1 . . . . A 6 U H1' . 34100 1 54 . 1 . 1 6 6 U H2' H 1 4.32 0.02 . 1 . . . . A 6 U H2' . 34100 1 55 . 1 . 1 6 6 U H3 H 1 13.64 0.02 . 1 . . . . A 6 U H3 . 34100 1 56 . 1 . 1 6 6 U H5 H 1 5.32 0.02 . 1 . . . . A 6 U H5 . 34100 1 57 . 1 . 1 6 6 U H5' H 1 4.03 0.02 . 2 . . . . A 6 U H5' . 34100 1 58 . 1 . 1 6 6 U H5'' H 1 4.03 0.02 . 2 . . . . A 6 U H5'' . 34100 1 59 . 1 . 1 6 6 U H6 H 1 7.82 0.02 . 1 . . . . A 6 U H6 . 34100 1 60 . 1 . 1 6 6 U C1' C 13 94.0 0.10 . 1 . . . . A 6 U C1' . 34100 1 61 . 1 . 1 6 6 U N3 N 15 161.9 0.10 . 1 . . . . A 6 U N3 . 34100 1 62 . 1 . 1 7 7 U H1' H 1 5.55 0.02 . 1 . . . . A 7 U H1' . 34100 1 63 . 1 . 1 7 7 U H2' H 1 4.37 0.02 . 1 . . . . A 7 U H2' . 34100 1 64 . 1 . 1 7 7 U H3 H 1 12.59 0.02 . 1 . . . . A 7 U H3 . 34100 1 65 . 1 . 1 7 7 U H3' H 1 4.53 0.02 . 1 . . . . A 7 U H3' . 34100 1 66 . 1 . 1 7 7 U H5 H 1 5.50 0.02 . 1 . . . . A 7 U H5 . 34100 1 67 . 1 . 1 7 7 U H6 H 1 7.84 0.02 . 1 . . . . A 7 U H6 . 34100 1 68 . 1 . 1 7 7 U C1' C 13 93.2 0.10 . 1 . . . . A 7 U C1' . 34100 1 69 . 1 . 1 7 7 U C5 C 13 103.6 0.10 . 1 . . . . A 7 U C5 . 34100 1 70 . 1 . 1 7 7 U C6 C 13 143.5 0.10 . 1 . . . . A 7 U C6 . 34100 1 71 . 1 . 1 7 7 U N3 N 15 161.0 0.10 . 1 . . . . A 7 U N3 . 34100 1 72 . 1 . 1 8 8 A H1' H 1 5.71 0.02 . 1 . . . . A 8 A H1' . 34100 1 73 . 1 . 1 8 8 A H2 H 1 6.85 0.02 . 1 . . . . A 8 A H2 . 34100 1 74 . 1 . 1 8 8 A H2' H 1 4.52 0.02 . 1 . . . . A 8 A H2' . 34100 1 75 . 1 . 1 8 8 A H3' H 1 4.49 0.02 . 1 . . . . A 8 A H3' . 34100 1 76 . 1 . 1 8 8 A H4' H 1 4.44 0.02 . 1 . . . . A 8 A H4' . 34100 1 77 . 1 . 1 8 8 A H5' H 1 4.37 0.02 . 2 . . . . A 8 A H5' . 34100 1 78 . 1 . 1 8 8 A H5'' H 1 4.11 0.02 . 2 . . . . A 8 A H5'' . 34100 1 79 . 1 . 1 8 8 A H8 H 1 7.95 0.02 . 1 . . . . A 8 A H8 . 34100 1 80 . 1 . 1 8 8 A C1' C 13 92.4 0.10 . 1 . . . . A 8 A C1' . 34100 1 81 . 1 . 1 8 8 A C2 C 13 153.1 0.10 . 1 . . . . A 8 A C2 . 34100 1 82 . 1 . 1 8 8 A C2' C 13 75.7 0.10 . 1 . . . . A 8 A C2' . 34100 1 83 . 1 . 1 8 8 A C3' C 13 74.1 0.10 . 1 . . . . A 8 A C3' . 34100 1 84 . 1 . 1 8 8 A C4' C 13 82.8 0.10 . 1 . . . . A 8 A C4' . 34100 1 85 . 1 . 1 8 8 A C5' C 13 66.4 0.10 . 1 . . . . A 8 A C5' . 34100 1 86 . 1 . 1 8 8 A C8 C 13 139.8 0.10 . 1 . . . . A 8 A C8 . 34100 1 87 . 1 . 1 9 9 A H1' H 1 5.25 0.02 . 1 . . . . A 9 A H1' . 34100 1 88 . 1 . 1 9 9 A H2 H 1 7.94 0.02 . 1 . . . . A 9 A H2 . 34100 1 89 . 1 . 1 9 9 A H2' H 1 4.41 0.02 . 1 . . . . A 9 A H2' . 34100 1 90 . 1 . 1 9 9 A H3' H 1 4.36 0.02 . 1 . . . . A 9 A H3' . 34100 1 91 . 1 . 1 9 9 A H4' H 1 4.25 0.02 . 1 . . . . A 9 A H4' . 34100 1 92 . 1 . 1 9 9 A H5' H 1 4.19 0.02 . 2 . . . . A 9 A H5' . 34100 1 93 . 1 . 1 9 9 A H5'' H 1 3.95 0.02 . 2 . . . . A 9 A H5'' . 34100 1 94 . 1 . 1 9 9 A H8 H 1 7.63 0.02 . 1 . . . . A 9 A H8 . 34100 1 95 . 1 . 1 9 9 A C1' C 13 91.5 0.10 . 1 . . . . A 9 A C1' . 34100 1 96 . 1 . 1 9 9 A C2 C 13 155.1 0.10 . 1 . . . . A 9 A C2 . 34100 1 97 . 1 . 1 9 9 A C2' C 13 75.5 0.10 . 1 . . . . A 9 A C2' . 34100 1 98 . 1 . 1 9 9 A C3' C 13 75.4 0.10 . 1 . . . . A 9 A C3' . 34100 1 99 . 1 . 1 9 9 A C4' C 13 83.9 0.10 . 1 . . . . A 9 A C4' . 34100 1 100 . 1 . 1 9 9 A C5' C 13 66.4 0.10 . 1 . . . . A 9 A C5' . 34100 1 101 . 1 . 1 9 9 A C8 C 13 140.1 0.10 . 1 . . . . A 9 A C8 . 34100 1 102 . 1 . 1 10 10 A H1' H 1 5.66 0.02 . 1 . . . . A 10 A H1' . 34100 1 103 . 1 . 1 10 10 A H2 H 1 7.60 0.02 . 1 . . . . A 10 A H2 . 34100 1 104 . 1 . 1 10 10 A H2' H 1 4.42 0.02 . 1 . . . . A 10 A H2' . 34100 1 105 . 1 . 1 10 10 A H3' H 1 4.57 0.02 . 1 . . . . A 10 A H3' . 34100 1 106 . 1 . 1 10 10 A H4' H 1 4.40 0.02 . 1 . . . . A 10 A H4' . 34100 1 107 . 1 . 1 10 10 A H5' H 1 4.13 0.02 . 2 . . . . A 10 A H5' . 34100 1 108 . 1 . 1 10 10 A H5'' H 1 3.92 0.02 . 2 . . . . A 10 A H5'' . 34100 1 109 . 1 . 1 10 10 A H8 H 1 8.00 0.02 . 1 . . . . A 10 A H8 . 34100 1 110 . 1 . 1 10 10 A H61 H 1 5.67 0.02 . 2 . . . . A 10 A H61 . 34100 1 111 . 1 . 1 10 10 A H62 H 1 5.67 0.02 . 2 . . . . A 10 A H62 . 34100 1 112 . 1 . 1 10 10 A C1' C 13 89.4 0.10 . 1 . . . . A 10 A C1' . 34100 1 113 . 1 . 1 10 10 A C2 C 13 154.6 0.10 . 1 . . . . A 10 A C2 . 34100 1 114 . 1 . 1 10 10 A C2' C 13 77.5 0.10 . 1 . . . . A 10 A C2' . 34100 1 115 . 1 . 1 10 10 A C3' C 13 78.7 0.10 . 1 . . . . A 10 A C3' . 34100 1 116 . 1 . 1 10 10 A C4' C 13 85.8 0.10 . 1 . . . . A 10 A C4' . 34100 1 117 . 1 . 1 10 10 A C5' C 13 67.5 0.10 . 1 . . . . A 10 A C5' . 34100 1 118 . 1 . 1 10 10 A C8 C 13 141.2 0.10 . 1 . . . . A 10 A C8 . 34100 1 119 . 1 . 1 11 11 U H1' H 1 5.96 0.02 . 1 . . . . A 11 U H1' . 34100 1 120 . 1 . 1 11 11 U H2' H 1 4.35 0.02 . 1 . . . . A 11 U H2' . 34100 1 121 . 1 . 1 11 11 U H3' H 1 4.68 0.02 . 1 . . . . A 11 U H3' . 34100 1 122 . 1 . 1 11 11 U H4' H 1 4.48 0.02 . 1 . . . . A 11 U H4' . 34100 1 123 . 1 . 1 11 11 U H5 H 1 5.82 0.02 . 1 . . . . A 11 U H5 . 34100 1 124 . 1 . 1 11 11 U H5' H 1 4.11 0.02 . 2 . . . . A 11 U H5' . 34100 1 125 . 1 . 1 11 11 U H5'' H 1 4.09 0.02 . 2 . . . . A 11 U H5'' . 34100 1 126 . 1 . 1 11 11 U H6 H 1 7.74 0.02 . 1 . . . . A 11 U H6 . 34100 1 127 . 1 . 1 11 11 U C5 C 13 105.9 0.10 . 1 . . . . A 11 U C5 . 34100 1 128 . 1 . 1 12 12 U H1' H 1 5.82 0.02 . 1 . . . . A 12 U H1' . 34100 1 129 . 1 . 1 12 12 U H2' H 1 4.55 0.02 . 1 . . . . A 12 U H2' . 34100 1 130 . 1 . 1 12 12 U H3' H 1 4.54 0.02 . 1 . . . . A 12 U H3' . 34100 1 131 . 1 . 1 12 12 U H4' H 1 4.50 0.02 . 1 . . . . A 12 U H4' . 34100 1 132 . 1 . 1 12 12 U H5 H 1 5.89 0.02 . 1 . . . . A 12 U H5 . 34100 1 133 . 1 . 1 12 12 U H5' H 1 4.23 0.02 . 2 . . . . A 12 U H5' . 34100 1 134 . 1 . 1 12 12 U H5'' H 1 4.20 0.02 . 2 . . . . A 12 U H5'' . 34100 1 135 . 1 . 1 12 12 U H6 H 1 7.84 0.02 . 1 . . . . A 12 U H6 . 34100 1 136 . 1 . 1 12 12 U C6 C 13 142.1 0.10 . 1 . . . . A 12 U C6 . 34100 1 137 . 1 . 1 13 13 A H1' H 1 5.88 0.02 . 1 . . . . A 13 A H1' . 34100 1 138 . 1 . 1 13 13 A H2 H 1 6.59 0.02 . 1 . . . . A 13 A H2 . 34100 1 139 . 1 . 1 13 13 A H2' H 1 4.59 0.02 . 1 . . . . A 13 A H2' . 34100 1 140 . 1 . 1 13 13 A H3' H 1 4.58 0.02 . 1 . . . . A 13 A H3' . 34100 1 141 . 1 . 1 13 13 A H4' H 1 4.54 0.02 . 1 . . . . A 13 A H4' . 34100 1 142 . 1 . 1 13 13 A H5' H 1 4.39 0.02 . 2 . . . . A 13 A H5' . 34100 1 143 . 1 . 1 13 13 A H5'' H 1 4.30 0.02 . 2 . . . . A 13 A H5'' . 34100 1 144 . 1 . 1 13 13 A H8 H 1 8.18 0.02 . 1 . . . . A 13 A H8 . 34100 1 145 . 1 . 1 13 13 A H61 H 1 7.11 0.02 . 2 . . . . A 13 A H61 . 34100 1 146 . 1 . 1 13 13 A H62 H 1 7.11 0.02 . 2 . . . . A 13 A H62 . 34100 1 147 . 1 . 1 13 13 A C1' C 13 92.5 0.10 . 1 . . . . A 13 A C1' . 34100 1 148 . 1 . 1 13 13 A C2 C 13 152.1 0.10 . 1 . . . . A 13 A C2 . 34100 1 149 . 1 . 1 13 13 A C2' C 13 74.2 0.10 . 1 . . . . A 13 A C2' . 34100 1 150 . 1 . 1 13 13 A C3' C 13 75.4 0.10 . 1 . . . . A 13 A C3' . 34100 1 151 . 1 . 1 13 13 A C4' C 13 83.0 0.10 . 1 . . . . A 13 A C4' . 34100 1 152 . 1 . 1 13 13 A C5' C 13 67.5 0.10 . 1 . . . . A 13 A C5' . 34100 1 153 . 1 . 1 13 13 A C8 C 13 140.8 0.10 . 1 . . . . A 13 A C8 . 34100 1 154 . 1 . 1 14 14 A H1' H 1 5.83 0.02 . 1 . . . . A 14 A H1' . 34100 1 155 . 1 . 1 14 14 A H2 H 1 7.32 0.02 . 1 . . . . A 14 A H2 . 34100 1 156 . 1 . 1 14 14 A H2' H 1 4.52 0.02 . 1 . . . . A 14 A H2' . 34100 1 157 . 1 . 1 14 14 A H3' H 1 4.57 0.02 . 1 . . . . A 14 A H3' . 34100 1 158 . 1 . 1 14 14 A H4' H 1 4.44 0.02 . 1 . . . . A 14 A H4' . 34100 1 159 . 1 . 1 14 14 A H5' H 1 4.50 0.02 . 2 . . . . A 14 A H5' . 34100 1 160 . 1 . 1 14 14 A H5'' H 1 4.13 0.02 . 2 . . . . A 14 A H5'' . 34100 1 161 . 1 . 1 14 14 A H8 H 1 7.73 0.02 . 1 . . . . A 14 A H8 . 34100 1 162 . 1 . 1 14 14 A H61 H 1 7.50 0.02 . 2 . . . . A 14 A H61 . 34100 1 163 . 1 . 1 14 14 A H62 H 1 6.16 0.02 . 2 . . . . A 14 A H62 . 34100 1 164 . 1 . 1 14 14 A C1' C 13 92.3 0.10 . 1 . . . . A 14 A C1' . 34100 1 165 . 1 . 1 14 14 A C2 C 13 153.1 0.10 . 1 . . . . A 14 A C2 . 34100 1 166 . 1 . 1 14 14 A C2' C 13 75.7 0.10 . 1 . . . . A 14 A C2' . 34100 1 167 . 1 . 1 14 14 A C3' C 13 72.8 0.10 . 1 . . . . A 14 A C3' . 34100 1 168 . 1 . 1 14 14 A C4' C 13 82.0 0.10 . 1 . . . . A 14 A C4' . 34100 1 169 . 1 . 1 14 14 A C5' C 13 65.4 0.10 . 1 . . . . A 14 A C5' . 34100 1 170 . 1 . 1 14 14 A C8 C 13 139.2 0.10 . 1 . . . . A 14 A C8 . 34100 1 171 . 1 . 1 15 15 G H1 H 1 12.51 0.02 . 1 . . . . A 15 G H1 . 34100 1 172 . 1 . 1 15 15 G H1' H 1 5.48 0.02 . 1 . . . . A 15 G H1' . 34100 1 173 . 1 . 1 15 15 G H2' H 1 4.40 0.02 . 1 . . . . A 15 G H2' . 34100 1 174 . 1 . 1 15 15 G H3' H 1 3.98 0.02 . 1 . . . . A 15 G H3' . 34100 1 175 . 1 . 1 15 15 G H8 H 1 6.95 0.02 . 1 . . . . A 15 G H8 . 34100 1 176 . 1 . 1 15 15 G H21 H 1 7.96 0.02 . 2 . . . . A 15 G H21 . 34100 1 177 . 1 . 1 15 15 G H22 H 1 5.77 0.02 . 2 . . . . A 15 G H22 . 34100 1 178 . 1 . 1 15 15 G C1' C 13 92.3 0.10 . 1 . . . . A 15 G C1' . 34100 1 179 . 1 . 1 15 15 G N1 N 15 147.1 0.10 . 1 . . . . A 15 G N1 . 34100 1 180 . 1 . 1 16 16 G H1 H 1 12.05 0.02 . 1 . . . . A 16 G H1 . 34100 1 181 . 1 . 1 16 16 G H1' H 1 5.62 0.02 . 1 . . . . A 16 G H1' . 34100 1 182 . 1 . 1 16 16 G H2' H 1 4.50 0.02 . 1 . . . . A 16 G H2' . 34100 1 183 . 1 . 1 16 16 G H3' H 1 4.43 0.02 . 1 . . . . A 16 G H3' . 34100 1 184 . 1 . 1 16 16 G H8 H 1 7.03 0.02 . 1 . . . . A 16 G H8 . 34100 1 185 . 1 . 1 16 16 G H21 H 1 7.70 0.02 . 2 . . . . A 16 G H21 . 34100 1 186 . 1 . 1 16 16 G H22 H 1 7.70 0.02 . 2 . . . . A 16 G H22 . 34100 1 187 . 1 . 1 16 16 G C1' C 13 92.8 0.10 . 1 . . . . A 16 G C1' . 34100 1 188 . 1 . 1 16 16 G N1 N 15 146.9 0.10 . 1 . . . . A 16 G N1 . 34100 1 189 . 1 . 1 17 17 A H1' H 1 5.89 0.02 . 1 . . . . A 17 A H1' . 34100 1 190 . 1 . 1 17 17 A H2 H 1 7.60 0.02 . 1 . . . . A 17 A H2 . 34100 1 191 . 1 . 1 17 17 A H2' H 1 4.56 0.02 . 1 . . . . A 17 A H2' . 34100 1 192 . 1 . 1 17 17 A H3' H 1 4.45 0.02 . 1 . . . . A 17 A H3' . 34100 1 193 . 1 . 1 17 17 A H4' H 1 4.40 0.02 . 1 . . . . A 17 A H4' . 34100 1 194 . 1 . 1 17 17 A H5' H 1 4.43 0.02 . 2 . . . . A 17 A H5' . 34100 1 195 . 1 . 1 17 17 A H5'' H 1 4.02 0.02 . 2 . . . . A 17 A H5'' . 34100 1 196 . 1 . 1 17 17 A H8 H 1 7.50 0.02 . 1 . . . . A 17 A H8 . 34100 1 197 . 1 . 1 17 17 A C1' C 13 92.9 0.10 . 1 . . . . A 17 A C1' . 34100 1 198 . 1 . 1 17 17 A C2 C 13 153.6 0.10 . 1 . . . . A 17 A C2 . 34100 1 199 . 1 . 1 17 17 A C2' C 13 75.8 0.10 . 1 . . . . A 17 A C2' . 34100 1 200 . 1 . 1 17 17 A C3' C 13 73.0 0.10 . 1 . . . . A 17 A C3' . 34100 1 201 . 1 . 1 17 17 A C4' C 13 82.1 0.10 . 1 . . . . A 17 A C4' . 34100 1 202 . 1 . 1 17 17 A C5' C 13 65.3 0.10 . 1 . . . . A 17 A C5' . 34100 1 203 . 1 . 1 17 17 A C8 C 13 139.0 0.10 . 1 . . . . A 17 A C8 . 34100 1 204 . 1 . 1 18 18 G H1' H 1 5.46 0.02 . 1 . . . . A 18 G H1' . 34100 1 205 . 1 . 1 18 18 G H2' H 1 4.31 0.02 . 1 . . . . A 18 G H2' . 34100 1 206 . 1 . 1 18 18 G H3' H 1 3.96 0.02 . 1 . . . . A 18 G H3' . 34100 1 207 . 1 . 1 18 18 G H8 H 1 7.17 0.02 . 1 . . . . A 18 G H8 . 34100 1 208 . 1 . 1 18 18 G C1' C 13 92.0 0.10 . 1 . . . . A 18 G C1' . 34100 1 209 . 1 . 1 18 18 G C8 C 13 136.9 0.10 . 1 . . . . A 18 G C8 . 34100 1 210 . 1 . 1 19 19 U H1' H 1 5.62 0.02 . 1 . . . . A 19 U H1' . 34100 1 211 . 1 . 1 19 19 U H2' H 1 3.98 0.02 . 1 . . . . A 19 U H2' . 34100 1 212 . 1 . 1 19 19 U H3' H 1 4.09 0.02 . 1 . . . . A 19 U H3' . 34100 1 213 . 1 . 1 19 19 U H4' H 1 4.06 0.02 . 1 . . . . A 19 U H4' . 34100 1 214 . 1 . 1 19 19 U H5 H 1 5.26 0.02 . 1 . . . . A 19 U H5 . 34100 1 215 . 1 . 1 19 19 U H5' H 1 4.21 0.02 . 2 . . . . A 19 U H5' . 34100 1 216 . 1 . 1 19 19 U H5'' H 1 4.21 0.02 . 2 . . . . A 19 U H5'' . 34100 1 217 . 1 . 1 19 19 U H6 H 1 7.52 0.02 . 1 . . . . A 19 U H6 . 34100 1 218 . 1 . 1 19 19 U C1' C 13 91.7 0.10 . 1 . . . . A 19 U C1' . 34100 1 219 . 1 . 1 19 19 U C4' C 13 84.8 0.10 . 1 . . . . A 19 U C4' . 34100 1 220 . 1 . 1 19 19 U C5 C 13 104.1 0.10 . 1 . . . . A 19 U C5 . 34100 1 221 . 1 . 1 19 19 U C6 C 13 142.5 0.10 . 1 . . . . A 19 U C6 . 34100 1 stop_ save_