################################### # 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 25777 _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 imino NOESY' . . . 25777 1 2 '2D D2O NOESY' . . . 25777 1 3 '2D 1H-13C HSQC' . . . 25777 1 4 '2D 1H-13C HSQC' . . . 25777 1 12 '3D HCCH-TOCSY' . . . 25777 1 13 '3D HCCH-TOCSY' . . . 25777 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 . . 25777 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 ADN C2 C 13 150.7 0.010 . 1 . . . A 2 ADN C2 . 25777 1 2 . 1 1 1 1 ADN C2' C 13 75.36 0.010 . 1 . . . A 2 ADN C2' . 25777 1 3 . 1 1 1 1 ADN C8 C 13 139.1 0.010 . 1 . . . A 2 ADN C8 . 25777 1 4 . 1 1 1 1 ADN H1' H 1 5.982 0.010 . 1 . . . A 2 ADN H1' . 25777 1 5 . 1 1 1 1 ADN H2 H 1 7.318 0.010 . 1 . . . A 2 ADN H2 . 25777 1 6 . 1 1 1 1 ADN H2' H 1 4.919 0.010 . 1 . . . A 2 ADN H2' . 25777 1 7 . 1 1 1 1 ADN H3' H 1 4.707 0.010 . 1 . . . A 2 ADN H3' . 25777 1 8 . 1 1 1 1 ADN H8 H 1 8.554 0.010 . 1 . . . A 2 ADN H8 . 25777 1 9 . 1 1 2 2 A H1' H 1 6.163 0.010 . 1 . . . A 3 A H1' . 25777 1 10 . 1 1 2 2 A H2 H 1 8.194 0.010 . 1 . . . A 3 A H2 . 25777 1 11 . 1 1 2 2 A H2' H 1 4.909 0.010 . 1 . . . A 3 A H2' . 25777 1 12 . 1 1 2 2 A H3' H 1 4.767 0.010 . 1 . . . A 3 A H3' . 25777 1 13 . 1 1 2 2 A H4' H 1 4.699 0.010 . 1 . . . A 3 A H4' . 25777 1 14 . 1 1 2 2 A H8 H 1 8.205 0.010 . 1 . . . A 3 A H8 . 25777 1 15 . 1 1 2 2 A C1' C 13 92.56 0.010 . 1 . . . A 3 A C1' . 25777 1 16 . 1 1 2 2 A C2 C 13 151.9 0.010 . 1 . . . A 3 A C2 . 25777 1 17 . 1 1 2 2 A C2' C 13 75.61 0.010 . 1 . . . A 3 A C2' . 25777 1 18 . 1 1 2 2 A C3' C 13 72.97 0.010 . 1 . . . A 3 A C3' . 25777 1 19 . 1 1 2 2 A C4' C 13 82.16 0.010 . 1 . . . A 3 A C4' . 25777 1 20 . 1 1 2 2 A C8 C 13 137.2 0.010 . 1 . . . A 3 A C8 . 25777 1 21 . 1 1 3 3 C H1' H 1 5.585 0.010 . 1 . . . A 4 C H1' . 25777 1 22 . 1 1 3 3 C H2' H 1 4.29 0.010 . 1 . . . A 4 C H2' . 25777 1 23 . 1 1 3 3 C H3' H 1 4.421 0.010 . 1 . . . A 4 C H3' . 25777 1 24 . 1 1 3 3 C H4' H 1 4.613 0.010 . 1 . . . A 4 C H4' . 25777 1 25 . 1 1 3 3 C H5 H 1 5.436 0.010 . 1 . . . A 4 C H5 . 25777 1 26 . 1 1 3 3 C H6 H 1 7.464 0.010 . 1 . . . A 4 C H6 . 25777 1 27 . 1 1 3 3 C H41 H 1 8.505 0.010 . 1 . . . A 4 C H41 . 25777 1 28 . 1 1 3 3 C H42 H 1 7.162 0.010 . 1 . . . A 4 C H42 . 25777 1 29 . 1 1 3 3 C C6 C 13 138.3 0.010 . 1 . . . A 4 C C6 . 25777 1 30 . 1 1 4 4 C H1' H 1 5.584 0.010 . 1 . . . A 5 C H1' . 25777 1 31 . 1 1 4 4 C H2' H 1 4.78 0.010 . 1 . . . A 5 C H2' . 25777 1 32 . 1 1 4 4 C H3' H 1 4.406 0.010 . 1 . . . A 5 C H3' . 25777 1 33 . 1 1 4 4 C H4' H 1 4.075 0.010 . 1 . . . A 5 C H4' . 25777 1 34 . 1 1 4 4 C H5 H 1 5.595 0.010 . 1 . . . A 5 C H5 . 25777 1 35 . 1 1 4 4 C H6 H 1 7.848 0.010 . 1 . . . A 5 C H6 . 25777 1 36 . 1 1 4 4 C H41 H 1 8.573 0.010 . 1 . . . A 5 C H41 . 25777 1 37 . 1 1 4 4 C H42 H 1 6.95 0.010 . 1 . . . A 5 C H42 . 25777 1 38 . 1 1 4 4 C C5 C 13 97.85 0.010 . 1 . . . A 5 C C5 . 25777 1 39 . 1 1 4 4 C C6 C 13 139.5 0.010 . 1 . . . A 5 C C6 . 25777 1 40 . 1 1 5 5 U H1' H 1 6.094 0.010 . 1 . . . A 6 U H1' . 25777 1 41 . 1 1 5 5 U H5 H 1 5.9 0.010 . 1 . . . A 6 U H5 . 25777 1 42 . 1 1 5 5 U H6 H 1 7.943 0.010 . 1 . . . A 6 U H6 . 25777 1 43 . 1 1 6 6 U H1' H 1 5.791 0.010 . 1 . . . A 7 U H1' . 25777 1 44 . 1 1 6 6 U H2' H 1 3.915 0.010 . 1 . . . A 7 U H2' . 25777 1 45 . 1 1 6 6 U H3 H 1 13.72 0.010 . 1 . . . A 7 U H3 . 25777 1 46 . 1 1 6 6 U H3' H 1 4.729 0.010 . 1 . . . A 7 U H3' . 25777 1 47 . 1 1 6 6 U H4' H 1 4.644 0.010 . 1 . . . A 7 U H4' . 25777 1 48 . 1 1 6 6 U H5 H 1 5.991 0.010 . 1 . . . A 7 U H5 . 25777 1 49 . 1 1 6 6 U H6 H 1 7.961 0.010 . 1 . . . A 7 U H6 . 25777 1 50 . 1 1 6 6 U C1' C 13 92.53 0.010 . 1 . . . A 7 U C1' . 25777 1 51 . 1 1 6 6 U C2' C 13 76.71 0.010 . 1 . . . A 7 U C2' . 25777 1 52 . 1 1 6 6 U C5 C 13 105.9 0.010 . 1 . . . A 7 U C5 . 25777 1 53 . 1 1 6 6 U C6 C 13 142 0.010 . 1 . . . A 7 U C6 . 25777 1 54 . 1 1 7 7 C H1' H 1 5.987 0.010 . 1 . . . A 8 C H1' . 25777 1 55 . 1 1 7 7 C H2' H 1 4.633 0.010 . 1 . . . A 8 C H2' . 25777 1 56 . 1 1 7 7 C H3' H 1 4.688 0.010 . 1 . . . A 8 C H3' . 25777 1 57 . 1 1 7 7 C H5 H 1 5.888 0.010 . 1 . . . A 8 C H5 . 25777 1 58 . 1 1 7 7 C H6 H 1 7.944 0.010 . 1 . . . A 8 C H6 . 25777 1 59 . 1 1 7 7 C H41 H 1 6.809 0.010 . 1 . . . A 8 C H41 . 25777 1 60 . 1 1 7 7 C H42 H 1 5.884 0.010 . 1 . . . A 8 C H42 . 25777 1 61 . 1 1 8 8 A H1' H 1 6.14 0.010 . 1 . . . A 9 A H1' . 25777 1 62 . 1 1 8 8 A H2 H 1 7.547 0.010 . 1 . . . A 9 A H2 . 25777 1 63 . 1 1 8 8 A H2' H 1 4.73 0.010 . 1 . . . A 9 A H2' . 25777 1 64 . 1 1 8 8 A H3' H 1 4.861 0.010 . 1 . . . A 9 A H3' . 25777 1 65 . 1 1 8 8 A H4' H 1 4.642 0.010 . 1 . . . A 9 A H4' . 25777 1 66 . 1 1 8 8 A H8 H 1 8.792 0.010 . 1 . . . A 9 A H8 . 25777 1 67 . 1 1 8 8 A C1' C 13 93.54 0.010 . 1 . . . A 9 A C1' . 25777 1 68 . 1 1 8 8 A C2 C 13 72.4 0.010 . 1 . . . A 9 A C2 . 25777 1 69 . 1 1 8 8 A C2' C 13 72.4 0.010 . 1 . . . A 9 A C2' . 25777 1 70 . 1 1 8 8 A C8 C 13 139.7 0.010 . 1 . . . A 9 A C8 . 25777 1 71 . 1 1 9 9 C H1' H 1 5.509 0.010 . 1 . . . A 10 C H1' . 25777 1 72 . 1 1 9 9 C H2' H 1 4.215 0.010 . 1 . . . A 10 C H2' . 25777 1 73 . 1 1 9 9 C H3' H 1 4.624 0.010 . 1 . . . A 10 C H3' . 25777 1 74 . 1 1 9 9 C H5 H 1 5.069 0.010 . 1 . . . A 10 C H5 . 25777 1 75 . 1 1 9 9 C H6 H 1 8.063 0.010 . 1 . . . A 10 C H6 . 25777 1 76 . 1 1 9 9 C H41 H 1 6.883 0.010 . 1 . . . A 10 C H41 . 25777 1 77 . 1 1 9 9 C H42 H 1 5.069 0.010 . 1 . . . A 10 C H42 . 25777 1 78 . 1 1 9 9 C C5 C 13 97.76 0.010 . 1 . . . A 10 C C5 . 25777 1 79 . 1 1 9 9 C C6 C 13 139.5 0.010 . 1 . . . A 10 C C6 . 25777 1 80 . 1 1 10 10 C H1' H 1 5.524 0.010 . 1 . . . A 11 C H1' . 25777 1 81 . 1 1 10 10 C H2' H 1 4.65 0.010 . 1 . . . A 11 C H2' . 25777 1 82 . 1 1 10 10 C H3' H 1 4.708 0.010 . 1 . . . A 11 C H3' . 25777 1 83 . 1 1 10 10 C H4' H 1 4.495 0.010 . 1 . . . A 11 C H4' . 25777 1 84 . 1 1 10 10 C H5 H 1 5.406 0.010 . 1 . . . A 11 C H5 . 25777 1 85 . 1 1 10 10 C H6 H 1 7.974 0.010 . 1 . . . A 11 C H6 . 25777 1 86 . 1 1 10 10 C H41 H 1 6.806 0.010 . 1 . . . A 11 C H41 . 25777 1 87 . 1 1 10 10 C H42 H 1 5.409 0.010 . 1 . . . A 11 C H42 . 25777 1 88 . 1 1 10 10 C C5 C 13 97.75 0.010 . 1 . . . A 11 C C5 . 25777 1 89 . 1 1 10 10 C C6 C 13 138.9 0.010 . 1 . . . A 11 C C6 . 25777 1 90 . 1 1 11 11 A H1' H 1 5.893 0.010 . 1 . . . A 12 A H1' . 25777 1 91 . 1 1 11 11 A H2 H 1 6.646 0.010 . 1 . . . A 12 A H2 . 25777 1 92 . 1 1 11 11 A H2' H 1 4.532 0.010 . 1 . . . A 12 A H2' . 25777 1 93 . 1 1 11 11 A H3' H 1 4.848 0.010 . 1 . . . A 12 A H3' . 25777 1 94 . 1 1 11 11 A H4' H 1 4.634 0.010 . 1 . . . A 12 A H4' . 25777 1 95 . 1 1 11 11 A H8 H 1 8.075 0.010 . 1 . . . A 12 A H8 . 25777 1 96 . 1 1 11 11 A H61 H 1 7.71 0.010 . 1 . . . A 12 A H61 . 25777 1 97 . 1 1 11 11 A H62 H 1 6.475 0.010 . 1 . . . A 12 A H62 . 25777 1 98 . 1 1 11 11 A C1' C 13 92.84 0.010 . 1 . . . A 12 A C1' . 25777 1 99 . 1 1 11 11 A C2 C 13 149.5 0.010 . 1 . . . A 12 A C2 . 25777 1 100 . 1 1 11 11 A C2' C 13 76.32 0.010 . 1 . . . A 12 A C2' . 25777 1 101 . 1 1 11 11 A C8 C 13 137.6 0.010 . 1 . . . A 12 A C8 . 25777 1 102 . 1 1 12 12 A H1' H 1 6.166 0.010 . 1 . . . A 13 A H1' . 25777 1 103 . 1 1 12 12 A H2 H 1 8.299 0.010 . 1 . . . A 13 A H2 . 25777 1 104 . 1 1 12 12 A H2' H 1 4.714 0.010 . 1 . . . A 13 A H2' . 25777 1 105 . 1 1 12 12 A H8 H 1 8.379 0.010 . 1 . . . A 13 A H8 . 25777 1 106 . 1 1 12 12 A H61 H 1 10.85 0.010 . 1 . . . A 13 A H61 . 25777 1 107 . 1 1 12 12 A H62 H 1 9.53 0.010 . 1 . . . A 13 A H62 . 25777 1 108 . 1 1 12 12 A C8 C 13 138.7 0.010 . 1 . . . A 13 A C8 . 25777 1 109 . 1 1 13 13 U H1' H 1 5.555 0.010 . 1 . . . A 14 U H1' . 25777 1 110 . 1 1 13 13 U H2' H 1 4.54 0.010 . 1 . . . A 14 U H2' . 25777 1 111 . 1 1 13 13 U H3 H 1 14.39 0.010 . 1 . . . A 14 U H3 . 25777 1 112 . 1 1 13 13 U H3' H 1 4.498 0.010 . 1 . . . A 14 U H3' . 25777 1 113 . 1 1 13 13 U H5 H 1 5.355 0.010 . 1 . . . A 14 U H5 . 25777 1 114 . 1 1 13 13 U H6 H 1 7.628 0.010 . 1 . . . A 14 U H6 . 25777 1 115 . 1 1 13 13 U C1' C 13 93.54 0.010 . 1 . . . A 14 U C1' . 25777 1 116 . 1 1 13 13 U C2' C 13 75.62 0.010 . 1 . . . A 14 U C2' . 25777 1 117 . 1 1 13 13 U C5 C 13 104.2 0.010 . 1 . . . A 14 U C5 . 25777 1 118 . 1 1 13 13 U C6 C 13 138.2 0.010 . 1 . . . A 14 U C6 . 25777 1 119 . 1 1 14 14 U H1' H 1 5.368 0.010 . 1 . . . A 15 U H1' . 25777 1 120 . 1 1 14 14 U H2' H 1 4.715 0.010 . 1 . . . A 15 U H2' . 25777 1 121 . 1 1 14 14 U H3 H 1 12.95 0.010 . 1 . . . A 15 U H3 . 25777 1 122 . 1 1 14 14 U H3' H 1 4.383 0.010 . 1 . . . A 15 U H3' . 25777 1 123 . 1 1 14 14 U H5 H 1 5.499 0.010 . 1 . . . A 15 U H5 . 25777 1 124 . 1 1 14 14 U H6 H 1 7.656 0.010 . 1 . . . A 15 U H6 . 25777 1 125 . 1 1 14 14 U C1' C 13 94.74 0.010 . 1 . . . A 15 U C1' . 25777 1 126 . 1 1 14 14 U C2' C 13 75.79 0.010 . 1 . . . A 15 U C2' . 25777 1 127 . 1 1 14 14 U C5 C 13 104.7 0.010 . 1 . . . A 15 U C5 . 25777 1 128 . 1 1 14 14 U C6 C 13 138.8 0.010 . 1 . . . A 15 U C6 . 25777 1 129 . 1 1 15 15 A H1' H 1 5.682 0.010 . 1 . . . A 16 A H1' . 25777 1 130 . 1 1 15 15 A H2 H 1 6.247 0.010 . 1 . . . A 16 A H2 . 25777 1 131 . 1 1 15 15 A H2' H 1 4.609 0.010 . 1 . . . A 16 A H2' . 25777 1 132 . 1 1 15 15 A H3' H 1 4.68 0.010 . 1 . . . A 16 A H3' . 25777 1 133 . 1 1 15 15 A H8 H 1 8.012 0.010 . 1 . . . A 16 A H8 . 25777 1 134 . 1 1 15 15 A C1' C 13 93.01 0.010 . 1 . . . A 16 A C1' . 25777 1 135 . 1 1 15 15 A C2 C 13 149.3 0.010 . 1 . . . A 16 A C2 . 25777 1 136 . 1 1 15 15 A C2' C 13 75.11 0.010 . 1 . . . A 16 A C2' . 25777 1 137 . 1 1 15 15 A C8 C 13 136.6 0.010 . 1 . . . A 16 A C8 . 25777 1 138 . 1 1 16 16 G H1 H 1 12.71 0.010 . 1 . . . A 17 G H1 . 25777 1 139 . 1 1 16 16 G H1' H 1 5.545 0.010 . 1 . . . A 17 G H1' . 25777 1 140 . 1 1 16 16 G H2' H 1 4.716 0.010 . 1 . . . A 17 G H2' . 25777 1 141 . 1 1 16 16 G H3' H 1 4.558 0.010 . 1 . . . A 17 G H3' . 25777 1 142 . 1 1 16 16 G H4' H 1 4.495 0.010 . 1 . . . A 17 G H4' . 25777 1 143 . 1 1 16 16 G H8 H 1 7.173 0.010 . 1 . . . A 17 G H8 . 25777 1 144 . 1 1 16 16 G H21 H 1 8.3111 0.010 . 1 . . . A 17 G H21 . 25777 1 145 . 1 1 16 16 G H22 H 1 6.749 0.010 . 1 . . . A 17 G H22 . 25777 1 146 . 1 1 16 16 G C8 C 13 133.4 0.010 . 1 . . . A 17 G C8 . 25777 1 147 . 1 1 17 17 G H1 H 1 13.65 0.010 . 1 . . . A 18 G H1 . 25777 1 148 . 1 1 17 17 G H1' H 1 5.912 0.010 . 1 . . . A 18 G H1' . 25777 1 149 . 1 1 17 17 G H2' H 1 4.753 0.010 . 1 . . . A 18 G H2' . 25777 1 150 . 1 1 17 17 G H8 H 1 7.273 0.010 . 1 . . . A 18 G H8 . 25777 1 151 . 1 1 17 17 G H21 H 1 9.207 0.010 . 1 . . . A 18 G H21 . 25777 1 152 . 1 1 17 17 G H22 H 1 6.523 0.010 . 1 . . . A 18 G H22 . 25777 1 153 . 1 1 17 17 G C8 C 13 134.2 0.010 . 1 . . . A 18 G C8 . 25777 1 154 . 1 1 18 18 U H1' H 1 6.243 0.010 . 1 . . . A 19 U H1' . 25777 1 155 . 1 1 18 18 U H2' H 1 4.508 0.010 . 1 . . . A 19 U H2' . 25777 1 156 . 1 1 18 18 U H3 H 1 14.94 0.010 . 1 . . . A 19 U H3 . 25777 1 157 . 1 1 18 18 U H3' H 1 4.76 0.010 . 1 . . . A 19 U H3' . 25777 1 158 . 1 1 18 18 U H4' H 1 3.939 0.010 . 1 . . . A 19 U H4' . 25777 1 159 . 1 1 18 18 U H5 H 1 5.152 0.010 . 1 . . . A 19 U H5 . 25777 1 160 . 1 1 18 18 U H5' H 1 4.825 0.010 . 1 . . . A 19 U H5' . 25777 1 161 . 1 1 18 18 U H5'' H 1 4.035 0.010 . 1 . . . A 19 U H5'' . 25777 1 162 . 1 1 18 18 U H6 H 1 8.21 0.010 . 1 . . . A 19 U H6 . 25777 1 163 . 1 1 18 18 U C1' C 13 89.43 0.010 . 1 . . . A 19 U C1' . 25777 1 164 . 1 1 18 18 U C2' C 13 76.13 0.010 . 1 . . . A 19 U C2' . 25777 1 165 . 1 1 18 18 U C3' C 13 80.48 0.010 . 1 . . . A 19 U C3' . 25777 1 166 . 1 1 18 18 U C4' C 13 86.19 0.010 . 1 . . . A 19 U C4' . 25777 1 167 . 1 1 18 18 U C5' C 13 67.37 0.010 . 1 . . . A 19 U C5' . 25777 1 168 . 1 1 18 18 U C6 C 13 140.7 0.010 . 1 . . . A 19 U C6 . 25777 1 169 . 1 1 19 19 U H1' H 1 6.589 0.010 . 1 . . . A 20 U H1' . 25777 1 170 . 1 1 19 19 U H2' H 1 4.807 0.010 . 1 . . . A 20 U H2' . 25777 1 171 . 1 1 19 19 U H3' H 1 4.72 0.010 . 1 . . . A 20 U H3' . 25777 1 172 . 1 1 19 19 U H4' H 1 4.648 0.010 . 1 . . . A 20 U H4' . 25777 1 173 . 1 1 19 19 U H5 H 1 5.896 0.010 . 1 . . . A 20 U H5 . 25777 1 174 . 1 1 19 19 U H6 H 1 8.264 0.010 . 1 . . . A 20 U H6 . 25777 1 175 . 1 1 19 19 U C1' C 13 94.89 0.010 . 1 . . . A 20 U C1' . 25777 1 176 . 1 1 19 19 U C2' C 13 74.47 0.010 . 1 . . . A 20 U C2' . 25777 1 177 . 1 1 19 19 U C3' C 13 72.42 0.010 . 1 . . . A 20 U C3' . 25777 1 178 . 1 1 19 19 U C4' C 13 82.73 0.010 . 1 . . . A 20 U C4' . 25777 1 179 . 1 1 19 19 U C5 C 13 104.8 0.010 . 1 . . . A 20 U C5 . 25777 1 180 . 1 1 19 19 U C6 C 13 142.4 0.010 . 1 . . . A 20 U C6 . 25777 1 181 . 1 1 20 20 C H1' H 1 5.929 0.010 . 1 . . . A 21 C H1' . 25777 1 182 . 1 1 20 20 C H5 H 1 6.415 0.010 . 1 . . . A 21 C H5 . 25777 1 183 . 1 1 20 20 C H6 H 1 7.671 0.010 . 1 . . . A 21 C H6 . 25777 1 184 . 1 1 20 20 C C5 C 13 100.5 0.010 . 1 . . . A 21 C C5 . 25777 1 185 . 1 1 20 20 C C6 C 13 141.3 0.010 . 1 . . . A 21 C C6 . 25777 1 186 . 1 1 21 21 A H1' H 1 5.939 0.010 . 1 . . . A 22 A H1' . 25777 1 187 . 1 1 21 21 A H2 H 1 8.01 0.010 . 1 . . . A 22 A H2 . 25777 1 188 . 1 1 21 21 A H5'' H 1 153.9 0.010 . 1 . . . A 22 A H5'' . 25777 1 189 . 1 1 21 21 A H8 H 1 7.772 0.010 . 1 . . . A 22 A H8 . 25777 1 190 . 1 1 22 22 A H1' H 1 5.762 0.010 . 1 . . . A 23 A H1' . 25777 1 191 . 1 1 22 22 A H2 H 1 8.355 0.010 . 1 . . . A 23 A H2 . 25777 1 192 . 1 1 22 22 A H8 H 1 8.34 0.010 . 1 . . . A 23 A H8 . 25777 1 193 . 1 1 22 22 A C2 C 13 153 0.010 . 1 . . . A 23 A C2 . 25777 1 194 . 1 1 22 22 A C8 C 13 139 0.010 . 1 . . . A 23 A C8 . 25777 1 195 . 1 1 23 23 A H2 H 1 8.208 0.010 . 1 . . . A 24 A H2 . 25777 1 196 . 1 1 23 23 A H8 H 1 8.352 0.010 . 1 . . . A 24 A H8 . 25777 1 197 . 1 1 23 23 A C2 C 13 153 0.010 . 1 . . . A 24 A C2 . 25777 1 198 . 1 1 23 23 A C8 C 13 140 0.010 . 1 . . . A 24 A C8 . 25777 1 199 . 1 1 24 24 U H1' H 1 5.35 0.010 . 1 . . . A 25 U H1' . 25777 1 200 . 1 1 24 24 U H2' H 1 4.101 0.010 . 1 . . . A 25 U H2' . 25777 1 201 . 1 1 24 24 U H3 H 1 13.29 0.010 . 1 . . . A 25 U H3 . 25777 1 202 . 1 1 24 24 U H3' H 1 4.883 0.010 . 1 . . . A 25 U H3' . 25777 1 203 . 1 1 24 24 U H5 H 1 5.325 0.010 . 1 . . . A 25 U H5 . 25777 1 204 . 1 1 24 24 U H6 H 1 7.931 0.010 . 1 . . . A 25 U H6 . 25777 1 205 . 1 1 24 24 U C1' C 13 93.56 0.010 . 1 . . . A 25 U C1' . 25777 1 206 . 1 1 24 24 U C2' C 13 76.35 0.010 . 1 . . . A 25 U C2' . 25777 1 207 . 1 1 24 24 U C5 C 13 102.9 0.010 . 1 . . . A 25 U C5 . 25777 1 208 . 1 1 25 25 A H1' H 1 5.987 0.010 . 1 . . . A 26 A H1' . 25777 1 209 . 1 1 25 25 A H2 H 1 6.444 0.010 . 1 . . . A 26 A H2 . 25777 1 210 . 1 1 25 25 A H2' H 1 4.817 0.010 . 1 . . . A 26 A H2' . 25777 1 211 . 1 1 25 25 A H8 H 1 7.683 0.010 . 1 . . . A 26 A H8 . 25777 1 212 . 1 1 25 25 A H61 H 1 7.226 0.010 . 1 . . . A 26 A H61 . 25777 1 213 . 1 1 25 25 A H62 H 1 6.625 0.010 . 1 . . . A 26 A H62 . 25777 1 214 . 1 1 25 25 A C1' C 13 95.63 0.010 . 1 . . . A 26 A C1' . 25777 1 215 . 1 1 25 25 A C2 C 13 149.3 0.010 . 1 . . . A 26 A C2 . 25777 1 216 . 1 1 25 25 A C8 C 13 137.5 0.010 . 1 . . . A 26 A C8 . 25777 1 217 . 1 1 26 26 A H1' H 1 6.129 0.010 . 1 . . . A 27 A H1' . 25777 1 218 . 1 1 26 26 A H2 H 1 7.574 0.010 . 1 . . . A 27 A H2 . 25777 1 219 . 1 1 26 26 A H2' H 1 5.187 0.010 . 1 . . . A 27 A H2' . 25777 1 220 . 1 1 26 26 A H3' H 1 4.744 0.010 . 1 . . . A 27 A H3' . 25777 1 221 . 1 1 26 26 A H4' H 1 4.525 0.010 . 1 . . . A 27 A H4' . 25777 1 222 . 1 1 26 26 A H8 H 1 7.849 0.010 . 1 . . . A 27 A H8 . 25777 1 223 . 1 1 26 26 A H61 H 1 7.646 0.010 . 1 . . . A 27 A H61 . 25777 1 224 . 1 1 26 26 A H62 H 1 7.286 0.010 . 1 . . . A 27 A H62 . 25777 1 225 . 1 1 26 26 A C1' C 13 93.92 0.010 . 1 . . . A 27 A C1' . 25777 1 226 . 1 1 26 26 A C2 C 13 151.3 0.010 . 1 . . . A 27 A C2 . 25777 1 227 . 1 1 26 26 A C2' C 13 77.51 0.010 . 1 . . . A 27 A C2' . 25777 1 228 . 1 1 26 26 A C8 C 13 138.4 0.010 . 1 . . . A 27 A C8 . 25777 1 229 . 1 1 27 27 G H1 H 1 13.55 0.010 . 1 . . . A 28 G H1 . 25777 1 230 . 1 1 27 27 G H1' H 1 6.308 0.010 . 1 . . . A 28 G H1' . 25777 1 231 . 1 1 27 27 G H2' H 1 4.835 0.010 . 1 . . . A 28 G H2' . 25777 1 232 . 1 1 27 27 G H3' H 1 4.482 0.010 . 1 . . . A 28 G H3' . 25777 1 233 . 1 1 27 27 G H4' H 1 4.787 0.010 . 1 . . . A 28 G H4' . 25777 1 234 . 1 1 27 27 G H5' H 1 5.272 0.010 . 1 . . . A 28 G H5' . 25777 1 235 . 1 1 27 27 G H8 H 1 8.025 0.010 . 1 . . . A 28 G H8 . 25777 1 236 . 1 1 27 27 G C8 C 13 137.4 0.010 . 1 . . . A 28 G C8 . 25777 1 237 . 1 1 28 28 U H1' H 1 5.859 0.010 . 1 . . . A 29 U H1' . 25777 1 238 . 1 1 28 28 U H2' H 1 4.588 0.010 . 1 . . . A 29 U H2' . 25777 1 239 . 1 1 28 28 U H3 H 1 13.23 0.010 . 1 . . . A 29 U H3 . 25777 1 240 . 1 1 28 28 U H3' H 1 4.771 0.010 . 1 . . . A 29 U H3' . 25777 1 241 . 1 1 28 28 U H5 H 1 5.211 0.010 . 1 . . . A 29 U H5 . 25777 1 242 . 1 1 28 28 U H6 H 1 8.137 0.010 . 1 . . . A 29 U H6 . 25777 1 243 . 1 1 28 28 U C1' C 13 93.12 0.010 . 1 . . . A 29 U C1' . 25777 1 244 . 1 1 28 28 U C2' C 13 72.38 0.010 . 1 . . . A 29 U C2' . 25777 1 245 . 1 1 28 28 U C5 C 13 103.5 0.010 . 1 . . . A 29 U C5 . 25777 1 246 . 1 1 28 28 U C6 C 13 139.3 0.010 . 1 . . . A 29 U C6 . 25777 1 247 . 1 1 29 29 G H1 H 1 12.2 0.010 . 1 . . . A 30 G H1 . 25777 1 248 . 1 1 29 29 G H1' H 1 5.881 0.010 . 1 . . . A 30 G H1' . 25777 1 249 . 1 1 29 29 G H2' H 1 4.769 0.010 . 1 . . . A 30 G H2' . 25777 1 250 . 1 1 29 29 G H4' H 1 4.588 0.010 . 1 . . . A 30 G H4' . 25777 1 251 . 1 1 29 29 G H8 H 1 7.857 0.010 . 1 . . . A 30 G H8 . 25777 1 252 . 1 1 29 29 G C8 C 13 134.4 0.010 . 1 . . . A 30 G C8 . 25777 1 253 . 1 1 30 30 G H1 H 1 13.4 0.010 . 1 . . . A 31 G H1 . 25777 1 254 . 1 1 30 30 G H1' H 1 5.665 0.010 . 1 . . . A 31 G H1' . 25777 1 255 . 1 1 30 30 G H2' H 1 4.479 0.010 . 1 . . . A 31 G H2' . 25777 1 256 . 1 1 30 30 G H3' H 1 4.522 0.010 . 1 . . . A 31 G H3' . 25777 1 257 . 1 1 30 30 G H8 H 1 7.219 0.010 . 1 . . . A 31 G H8 . 25777 1 258 . 1 1 30 30 G C8 C 13 133.5 0.010 . 1 . . . A 31 G C8 . 25777 1 259 . 1 1 31 31 U H1' H 1 5.541 0.010 . 1 . . . A 32 U H1' . 25777 1 260 . 1 1 31 31 U H2' H 1 4.661 0.010 . 1 . . . A 32 U H2' . 25777 1 261 . 1 1 31 31 U H5 H 1 5.209 0.010 . 1 . . . A 32 U H5 . 25777 1 262 . 1 1 31 31 U H6 H 1 7.734 0.010 . 1 . . . A 32 U H6 . 25777 1 263 . 1 1 31 31 U C5 C 13 103.7 0.010 . 1 . . . A 32 U C5 . 25777 1 264 . 1 1 31 31 U C6 C 13 138.7 0.010 . 1 . . . A 32 U C6 . 25777 1 stop_ save_