################################### # 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 34784 _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 TOCSY' . . . 34784 1 2 '2D 1H-1H NOESY' . . . 34784 1 3 '2D 1H-13C HSQC' . . . 34784 1 4 '2D 1H-1H COSY' . . . 34784 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 5.806 0.020 . 1 . . . . A 1 A H1' . 34784 1 2 . 1 . 1 1 1 A H2 H 1 7.976 0.020 . 1 . . . . A 1 A H2 . 34784 1 3 . 1 . 1 1 1 A H2' H 1 4.644 0.020 . 1 . . . . A 1 A H2' . 34784 1 4 . 1 . 1 1 1 A H3' H 1 4.676 0.020 . 1 . . . . A 1 A H3' . 34784 1 5 . 1 . 1 1 1 A H4' H 1 4.254 0.020 . 1 . . . . A 1 A H4' . 34784 1 6 . 1 . 1 1 1 A H5' H 1 3.857 0.020 . 2 . . . . A 1 A H5' . 34784 1 7 . 1 . 1 1 1 A H5'' H 1 3.792 0.020 . 2 . . . . A 1 A H5'' . 34784 1 8 . 1 . 1 1 1 A H8 H 1 8.105 0.020 . 1 . . . . A 1 A H8 . 34784 1 9 . 1 . 1 1 1 A C1' C 13 90.942 0.3 . 1 . . . . A 1 A C1' . 34784 1 10 . 1 . 1 1 1 A C2 C 13 153.152 0.3 . 1 . . . . A 1 A C2 . 34784 1 11 . 1 . 1 1 1 A C2' C 13 76.118 0.3 . 1 . . . . A 1 A C2' . 34784 1 12 . 1 . 1 1 1 A C3' C 13 77.222 0.3 . 1 . . . . A 1 A C3' . 34784 1 13 . 1 . 1 1 1 A C4' C 13 87.066 0.3 . 1 . . . . A 1 A C4' . 34784 1 14 . 1 . 1 1 1 A C5' C 13 63.435 0.3 . 1 . . . . A 1 A C5' . 34784 1 15 . 1 . 1 1 1 A C8 C 13 143.117 0.3 . 1 . . . . A 1 A C8 . 34784 1 16 . 1 . 1 2 2 U H1' H 1 5.932 0.020 . 1 . . . . A 2 U H1' . 34784 1 17 . 1 . 1 2 2 U H2' H 1 4.482 0.020 . 1 . . . . A 2 U H2' . 34784 1 18 . 1 . 1 2 2 U H3' H 1 4.619 0.020 . 1 . . . . A 2 U H3' . 34784 1 19 . 1 . 1 2 2 U H4' H 1 4.477 0.020 . 1 . . . . A 2 U H4' . 34784 1 20 . 1 . 1 2 2 U H5 H 1 5.813 0.020 . 1 . . . . A 2 U H5 . 34784 1 21 . 1 . 1 2 2 U H5' H 1 4.297 0.020 . 2 . . . . A 2 U H5' . 34784 1 22 . 1 . 1 2 2 U H5'' H 1 4.208 0.020 . 2 . . . . A 2 U H5'' . 34784 1 23 . 1 . 1 2 2 U H6 H 1 7.884 0.020 . 1 . . . . A 2 U H6 . 34784 1 24 . 1 . 1 2 2 U C1' C 13 90.469 0.3 . 1 . . . . A 2 U C1' . 34784 1 25 . 1 . 1 2 2 U C2' C 13 75.298 0.3 . 1 . . . . A 2 U C2' . 34784 1 26 . 1 . 1 2 2 U C3' C 13 75.452 0.3 . 1 . . . . A 2 U C3' . 34784 1 27 . 1 . 1 2 2 U C4' C 13 81.798 0.3 . 1 . . . . A 2 U C4' . 34784 1 28 . 1 . 1 2 2 U C5 C 13 104.932 0.3 . 1 . . . . A 2 U C5 . 34784 1 29 . 1 . 1 2 2 U C5' C 13 67.294 0.3 . 1 . . . . A 2 U C5' . 34784 1 30 . 1 . 1 2 2 U C6 C 13 143.359 0.3 . 1 . . . . A 2 U C6 . 34784 1 31 . 1 . 1 3 3 A H1' H 1 5.750 0.020 . 1 . . . . A 3 A H1' . 34784 1 32 . 1 . 1 3 3 A H2 H 1 7.829 0.020 . 1 . . . . A 3 A H2 . 34784 1 33 . 1 . 1 3 3 A H2' H 1 4.671 0.020 . 1 . . . . A 3 A H2' . 34784 1 34 . 1 . 1 3 3 A H3' H 1 4.611 0.020 . 1 . . . . A 3 A H3' . 34784 1 35 . 1 . 1 3 3 A H4' H 1 4.529 0.020 . 1 . . . . A 3 A H4' . 34784 1 36 . 1 . 1 3 3 A H5' H 1 4.213 0.020 . 2 . . . . A 3 A H5' . 34784 1 37 . 1 . 1 3 3 A H5'' H 1 4.449 0.020 . 2 . . . . A 3 A H5'' . 34784 1 38 . 1 . 1 3 3 A H8 H 1 8.272 0.020 . 1 . . . . A 3 A H8 . 34784 1 39 . 1 . 1 3 3 A C1' C 13 92.464 0.3 . 1 . . . . A 3 A C1' . 34784 1 40 . 1 . 1 3 3 A C2 C 13 153.529 0.3 . 1 . . . . A 3 A C2 . 34784 1 41 . 1 . 1 3 3 A C2' C 13 75.240 0.3 . 1 . . . . A 3 A C2' . 34784 1 42 . 1 . 1 3 3 A C3' C 13 73.431 0.3 . 1 . . . . A 3 A C3' . 34784 1 43 . 1 . 1 3 3 A C4' C 13 82.110 0.3 . 1 . . . . A 3 A C4' . 34784 1 44 . 1 . 1 3 3 A C5' C 13 66.021 0.3 . 1 . . . . A 3 A C5' . 34784 1 45 . 1 . 1 3 3 A C8 C 13 140.564 0.3 . 1 . . . . A 3 A C8 . 34784 1 46 . 1 . 1 4 4 C H1' H 1 5.464 0.020 . 1 . . . . A 4 C H1' . 34784 1 47 . 1 . 1 4 4 C H2' H 1 4.649 0.020 . 1 . . . . A 4 C H2' . 34784 1 48 . 1 . 1 4 4 C H3' H 1 4.476 0.020 . 1 . . . . A 4 C H3' . 34784 1 49 . 1 . 1 4 4 C H4' H 1 4.425 0.020 . 1 . . . . A 4 C H4' . 34784 1 50 . 1 . 1 4 4 C H5 H 1 5.266 0.020 . 1 . . . . A 4 C H5 . 34784 1 51 . 1 . 1 4 4 C H5' H 1 4.402 0.020 . 2 . . . . A 4 C H5' . 34784 1 52 . 1 . 1 4 4 C H5'' H 1 4.090 0.020 . 2 . . . . A 4 C H5'' . 34784 1 53 . 1 . 1 4 4 C H6 H 1 7.520 0.020 . 1 . . . . A 4 C H6 . 34784 1 54 . 1 . 1 4 4 C C1' C 13 93.572 0.3 . 1 . . . . A 4 C C1' . 34784 1 55 . 1 . 1 4 4 C C2' C 13 74.864 0.3 . 1 . . . . A 4 C C2' . 34784 1 56 . 1 . 1 4 4 C C3' C 13 72.312 0.3 . 1 . . . . A 4 C C3' . 34784 1 57 . 1 . 1 4 4 C C4' C 13 82.972 0.3 . 1 . . . . A 4 C C4' . 34784 1 58 . 1 . 1 4 4 C C5 C 13 97.125 0.3 . 1 . . . . A 4 C C5 . 34784 1 59 . 1 . 1 4 4 C C5' C 13 65.382 0.3 . 1 . . . . A 4 C C5' . 34784 1 60 . 1 . 1 4 4 C C6 C 13 141.088 0.3 . 1 . . . . A 4 C C6 . 34784 1 61 . 1 . 1 5 5 PSU H1' H 1 4.810 0.020 . 1 . . . . A 5 PSU H1' . 34784 1 62 . 1 . 1 5 5 PSU H2' H 1 4.576 0.020 . 1 . . . . A 5 PSU H2' . 34784 1 63 . 1 . 1 5 5 PSU H3' H 1 4.487 0.020 . 1 . . . . A 5 PSU H3' . 34784 1 64 . 1 . 1 5 5 PSU H4' H 1 4.229 0.020 . 1 . . . . A 5 PSU H4' . 34784 1 65 . 1 . 1 5 5 PSU H5' H 1 4.425 0.020 . 2 . . . . A 5 PSU H5' . 34784 1 66 . 1 . 1 5 5 PSU H5'' H 1 4.025 0.020 . 2 . . . . A 5 PSU H5'' . 34784 1 67 . 1 . 1 5 5 PSU H6 H 1 7.423 0.020 . 1 . . . . A 5 PSU H6 . 34784 1 68 . 1 . 1 5 5 PSU C1' C 13 82.842 0.3 . 1 . . . . A 5 PSU C1' . 34784 1 69 . 1 . 1 5 5 PSU C2' C 13 75.149 0.3 . 1 . . . . A 5 PSU C2' . 34784 1 70 . 1 . 1 5 5 PSU C3' C 13 74.570 0.3 . 1 . . . . A 5 PSU C3' . 34784 1 71 . 1 . 1 5 5 PSU C4' C 13 79.517 0.3 . 1 . . . . A 5 PSU C4' . 34784 1 72 . 1 . 1 5 5 PSU C5' C 13 65.464 0.3 . 1 . . . . A 5 PSU C5' . 34784 1 73 . 1 . 1 5 5 PSU C6 C 13 140.776 0.3 . 1 . . . . A 5 PSU C6 . 34784 1 74 . 1 . 1 5 5 PSU HN3 H 1 10.504 0.020 . 1 . . . . A 5 PSU HN3 . 34784 1 75 . 1 . 1 6 6 PSU H1' H 1 4.745 0.020 . 1 . . . . A 6 PSU H1' . 34784 1 76 . 1 . 1 6 6 PSU H2' H 1 4.594 0.020 . 1 . . . . A 6 PSU H2' . 34784 1 77 . 1 . 1 6 6 PSU H3' H 1 4.481 0.020 . 1 . . . . A 6 PSU H3' . 34784 1 78 . 1 . 1 6 6 PSU H4' H 1 4.272 0.020 . 1 . . . . A 6 PSU H4' . 34784 1 79 . 1 . 1 6 6 PSU H5' H 1 4.422 0.020 . 2 . . . . A 6 PSU H5' . 34784 1 80 . 1 . 1 6 6 PSU H5'' H 1 4.054 0.020 . 2 . . . . A 6 PSU H5'' . 34784 1 81 . 1 . 1 6 6 PSU H6 H 1 7.492 0.020 . 1 . . . . A 6 PSU H6 . 34784 1 82 . 1 . 1 6 6 PSU C1' C 13 82.654 0.3 . 1 . . . . A 6 PSU C1' . 34784 1 83 . 1 . 1 6 6 PSU C2' C 13 75.259 0.3 . 1 . . . . A 6 PSU C2' . 34784 1 84 . 1 . 1 6 6 PSU C3' C 13 75.097 0.3 . 1 . . . . A 6 PSU C3' . 34784 1 85 . 1 . 1 6 6 PSU C4' C 13 79.517 0.3 . 1 . . . . A 6 PSU C4' . 34784 1 86 . 1 . 1 6 6 PSU C5' C 13 66.214 0.3 . 1 . . . . A 6 PSU C5' . 34784 1 87 . 1 . 1 6 6 PSU C6 C 13 140.819 0.3 . 1 . . . . A 6 PSU C6 . 34784 1 88 . 1 . 1 6 6 PSU HN3 H 1 10.784 0.020 . 1 . . . . A 6 PSU HN3 . 34784 1 89 . 1 . 1 7 7 A H1' H 1 5.918 0.020 . 1 . . . . A 7 A H1' . 34784 1 90 . 1 . 1 7 7 A H2 H 1 7.035 0.020 . 1 . . . . A 7 A H2 . 34784 1 91 . 1 . 1 7 7 A H2' H 1 4.649 0.020 . 1 . . . . A 7 A H2' . 34784 1 92 . 1 . 1 7 7 A H3' H 1 4.666 0.020 . 1 . . . . A 7 A H3' . 34784 1 93 . 1 . 1 7 7 A H4' H 1 4.398 0.020 . 1 . . . . A 7 A H4' . 34784 1 94 . 1 . 1 7 7 A H5' H 1 4.390 0.020 . 2 . . . . A 7 A H5' . 34784 1 95 . 1 . 1 7 7 A H5'' H 1 4.117 0.020 . 2 . . . . A 7 A H5'' . 34784 1 96 . 1 . 1 7 7 A H8 H 1 8.087 0.020 . 1 . . . . A 7 A H8 . 34784 1 97 . 1 . 1 7 7 A C1' C 13 92.531 0.3 . 1 . . . . A 7 A C1' . 34784 1 98 . 1 . 1 7 7 A C2 C 13 152.964 0.3 . 1 . . . . A 7 A C2 . 34784 1 99 . 1 . 1 7 7 A C2' C 13 72.130 0.3 . 1 . . . . A 7 A C2' . 34784 1 100 . 1 . 1 7 7 A C3' C 13 72.166 0.3 . 1 . . . . A 7 A C3' . 34784 1 101 . 1 . 1 7 7 A C4' C 13 83.080 0.3 . 1 . . . . A 7 A C4' . 34784 1 102 . 1 . 1 7 7 A C5' C 13 66.439 0.3 . 1 . . . . A 7 A C5' . 34784 1 103 . 1 . 1 7 7 A C8 C 13 139.566 0.3 . 1 . . . . A 7 A C8 . 34784 1 104 . 1 . 1 8 8 C H1' H 1 5.282 0.020 . 1 . . . . A 8 C H1' . 34784 1 105 . 1 . 1 8 8 C H2' H 1 4.458 0.020 . 1 . . . . A 8 C H2' . 34784 1 106 . 1 . 1 8 8 C H3' H 1 4.234 0.020 . 1 . . . . A 8 C H3' . 34784 1 107 . 1 . 1 8 8 C H4' H 1 4.327 0.020 . 1 . . . . A 8 C H4' . 34784 1 108 . 1 . 1 8 8 C H5 H 1 5.120 0.020 . 1 . . . . A 8 C H5 . 34784 1 109 . 1 . 1 8 8 C H5' H 1 4.009 0.020 . 2 . . . . A 8 C H5' . 34784 1 110 . 1 . 1 8 8 C H5'' H 1 4.504 0.020 . 2 . . . . A 8 C H5'' . 34784 1 111 . 1 . 1 8 8 C H6 H 1 7.321 0.020 . 1 . . . . A 8 C H6 . 34784 1 112 . 1 . 1 8 8 C C1' C 13 93.559 0.3 . 1 . . . . A 8 C C1' . 34784 1 113 . 1 . 1 8 8 C C2' C 13 75.310 0.3 . 1 . . . . A 8 C C2' . 34784 1 114 . 1 . 1 8 8 C C3' C 13 71.655 0.3 . 1 . . . . A 8 C C3' . 34784 1 115 . 1 . 1 8 8 C C4' C 13 81.570 0.3 . 1 . . . . A 8 C C4' . 34784 1 116 . 1 . 1 8 8 C C5 C 13 96.837 0.3 . 1 . . . . A 8 C C5 . 34784 1 117 . 1 . 1 8 8 C C5' C 13 64.342 0.3 . 1 . . . . A 8 C C5' . 34784 1 118 . 1 . 1 8 8 C C6 C 13 140.316 0.3 . 1 . . . . A 8 C C6 . 34784 1 119 . 1 . 1 9 9 C H1' H 1 5.650 0.020 . 1 . . . . A 9 C H1' . 34784 1 120 . 1 . 1 9 9 C H2' H 1 4.416 0.020 . 1 . . . . A 9 C H2' . 34784 1 121 . 1 . 1 9 9 C H3' H 1 4.260 0.020 . 1 . . . . A 9 C H3' . 34784 1 122 . 1 . 1 9 9 C H4' H 1 4.323 0.020 . 1 . . . . A 9 C H4' . 34784 1 123 . 1 . 1 9 9 C H5 H 1 5.567 0.020 . 1 . . . . A 9 C H5 . 34784 1 124 . 1 . 1 9 9 C H5' H 1 4.441 0.020 . 2 . . . . A 9 C H5' . 34784 1 125 . 1 . 1 9 9 C H5'' H 1 4.034 0.020 . 2 . . . . A 9 C H5'' . 34784 1 126 . 1 . 1 9 9 C H6 H 1 7.688 0.020 . 1 . . . . A 9 C H6 . 34784 1 127 . 1 . 1 9 9 C C1' C 13 93.127 0.3 . 1 . . . . A 9 C C1' . 34784 1 128 . 1 . 1 9 9 C C2' C 13 73.858 0.3 . 1 . . . . A 9 C C2' . 34784 1 129 . 1 . 1 9 9 C C3' C 13 71.551 0.3 . 1 . . . . A 9 C C3' . 34784 1 130 . 1 . 1 9 9 C C4' C 13 85.619 0.3 . 1 . . . . A 9 C C4' . 34784 1 131 . 1 . 1 9 9 C C5 C 13 98.309 0.3 . 1 . . . . A 9 C C5 . 34784 1 132 . 1 . 1 9 9 C C5' C 13 64.445 0.3 . 1 . . . . A 9 C C5' . 34784 1 133 . 1 . 1 9 9 C C6 C 13 141.304 0.3 . 1 . . . . A 9 C C6 . 34784 1 134 . 1 . 1 10 10 U H1' H 1 5.535 0.020 . 1 . . . . A 10 U H1' . 34784 1 135 . 1 . 1 10 10 U H2' H 1 4.452 0.020 . 1 . . . . A 10 U H2' . 34784 1 136 . 1 . 1 10 10 U H3' H 1 4.288 0.020 . 1 . . . . A 10 U H3' . 34784 1 137 . 1 . 1 10 10 U H4' H 1 4.025 0.020 . 1 . . . . A 10 U H4' . 34784 1 138 . 1 . 1 10 10 U H5 H 1 5.565 0.020 . 1 . . . . A 10 U H5 . 34784 1 139 . 1 . 1 10 10 U H5' H 1 4.189 0.020 . 2 . . . . A 10 U H5' . 34784 1 140 . 1 . 1 10 10 U H5'' H 1 4.038 0.020 . 2 . . . . A 10 U H5'' . 34784 1 141 . 1 . 1 10 10 U H6 H 1 7.692 0.020 . 1 . . . . A 10 U H6 . 34784 1 142 . 1 . 1 10 10 U C1' C 13 91.850 0.3 . 1 . . . . A 10 U C1' . 34784 1 143 . 1 . 1 10 10 U C2' C 13 75.306 0.3 . 1 . . . . A 10 U C2' . 34784 1 144 . 1 . 1 10 10 U C3' C 13 72.220 0.3 . 1 . . . . A 10 U C3' . 34784 1 145 . 1 . 1 10 10 U C4' C 13 85.167 0.3 . 1 . . . . A 10 U C4' . 34784 1 146 . 1 . 1 10 10 U C5 C 13 104.592 0.3 . 1 . . . . A 10 U C5 . 34784 1 147 . 1 . 1 10 10 U C5' C 13 64.336 0.3 . 1 . . . . A 10 U C5' . 34784 1 148 . 1 . 1 10 10 U C6 C 13 141.849 0.3 . 1 . . . . A 10 U C6 . 34784 1 149 . 1 . 1 11 11 G H1' H 1 5.677 0.020 . 1 . . . . A 11 G H1' . 34784 1 150 . 1 . 1 11 11 G H2' H 1 4.440 0.020 . 1 . . . . A 11 G H2' . 34784 1 151 . 1 . 1 11 11 G H3' H 1 4.332 0.020 . 1 . . . . A 11 G H3' . 34784 1 152 . 1 . 1 11 11 G H4' H 1 4.212 0.020 . 1 . . . . A 11 G H4' . 34784 1 153 . 1 . 1 11 11 G H5' H 1 4.188 0.020 . 2 . . . . A 11 G H5' . 34784 1 154 . 1 . 1 11 11 G H5'' H 1 4.053 0.020 . 2 . . . . A 11 G H5'' . 34784 1 155 . 1 . 1 11 11 G H8 H 1 7.836 0.020 . 1 . . . . A 11 G H8 . 34784 1 156 . 1 . 1 11 11 G C1' C 13 90.019 0.3 . 1 . . . . A 11 G C1' . 34784 1 157 . 1 . 1 11 11 G C2' C 13 76.624 0.3 . 1 . . . . A 11 G C2' . 34784 1 158 . 1 . 1 11 11 G C3' C 13 72.055 0.3 . 1 . . . . A 11 G C3' . 34784 1 159 . 1 . 1 11 11 G C4' C 13 85.481 0.3 . 1 . . . . A 11 G C4' . 34784 1 160 . 1 . 1 11 11 G C5' C 13 66.799 0.3 . 1 . . . . A 11 G C5' . 34784 1 161 . 1 . 1 11 11 G C8 C 13 139.370 0.3 . 1 . . . . A 11 G C8 . 34784 1 162 . 2 . 2 1 1 G H1' H 1 5.678 0.020 . 1 . . . . B 12 G H1' . 34784 1 163 . 2 . 2 1 1 G H2' H 1 4.688 0.020 . 1 . . . . B 12 G H2' . 34784 1 164 . 2 . 2 1 1 G H3' H 1 4.664 0.020 . 1 . . . . B 12 G H3' . 34784 1 165 . 2 . 2 1 1 G H4' H 1 4.416 0.020 . 1 . . . . B 12 G H4' . 34784 1 166 . 2 . 2 1 1 G H5' H 1 3.804 0.020 . 2 . . . . B 12 G H5' . 34784 1 167 . 2 . 2 1 1 G H5'' H 1 3.750 0.020 . 2 . . . . B 12 G H5'' . 34784 1 168 . 2 . 2 1 1 G H8 H 1 7.808 0.020 . 1 . . . . B 12 G H8 . 34784 1 169 . 2 . 2 1 1 G C1' C 13 91.151 0.3 . 1 . . . . B 12 G C1' . 34784 1 170 . 2 . 2 1 1 G C2' C 13 75.156 0.3 . 1 . . . . B 12 G C2' . 34784 1 171 . 2 . 2 1 1 G C3' C 13 76.972 0.3 . 1 . . . . B 12 G C3' . 34784 1 172 . 2 . 2 1 1 G C4' C 13 87.007 0.3 . 1 . . . . B 12 G C4' . 34784 1 173 . 2 . 2 1 1 G C5' C 13 63.534 0.3 . 1 . . . . B 12 G C5' . 34784 1 174 . 2 . 2 1 1 G C8 C 13 140.656 0.3 . 1 . . . . B 12 G C8 . 34784 1 175 . 2 . 2 2 2 G H1' H 1 5.880 0.020 . 1 . . . . B 13 G H1' . 34784 1 176 . 2 . 2 2 2 G H2' H 1 4.874 0.020 . 1 . . . . B 13 G H2' . 34784 1 177 . 2 . 2 2 2 G H3' H 1 4.806 0.020 . 1 . . . . B 13 G H3' . 34784 1 178 . 2 . 2 2 2 G H4' H 1 4.547 0.020 . 1 . . . . B 13 G H4' . 34784 1 179 . 2 . 2 2 2 G H5' H 1 4.292 0.020 . 2 . . . . B 13 G H5' . 34784 1 180 . 2 . 2 2 2 G H5'' H 1 4.190 0.020 . 2 . . . . B 13 G H5'' . 34784 1 181 . 2 . 2 2 2 G H8 H 1 7.912 0.020 . 1 . . . . B 13 G H8 . 34784 1 182 . 2 . 2 2 2 G C1' C 13 90.053 0.3 . 1 . . . . B 13 G C1' . 34784 1 183 . 2 . 2 2 2 G C2' C 13 76.196 0.3 . 1 . . . . B 13 G C2' . 34784 1 184 . 2 . 2 2 2 G C3' C 13 75.647 0.3 . 1 . . . . B 13 G C3' . 34784 1 185 . 2 . 2 2 2 G C4' C 13 84.645 0.3 . 1 . . . . B 13 G C4' . 34784 1 186 . 2 . 2 2 2 G C5' C 13 67.457 0.3 . 1 . . . . B 13 G C5' . 34784 1 187 . 2 . 2 2 2 G C8 C 13 138.817 0.3 . 1 . . . . B 13 G C8 . 34784 1 188 . 2 . 2 3 3 A H1' H 1 5.986 0.020 . 1 . . . . B 14 A H1' . 34784 1 189 . 2 . 2 3 3 A H2 H 1 8.144 0.020 . 1 . . . . B 14 A H2 . 34784 1 190 . 2 . 2 3 3 A H2' H 1 4.815 0.020 . 1 . . . . B 14 A H2' . 34784 1 191 . 2 . 2 3 3 A H3' H 1 4.685 0.020 . 1 . . . . B 14 A H3' . 34784 1 192 . 2 . 2 3 3 A H4' H 1 4.615 0.020 . 1 . . . . B 14 A H4' . 34784 1 193 . 2 . 2 3 3 A H5' H 1 4.432 0.020 . 2 . . . . B 14 A H5' . 34784 1 194 . 2 . 2 3 3 A H5'' H 1 4.291 0.020 . 2 . . . . B 14 A H5'' . 34784 1 195 . 2 . 2 3 3 A H8 H 1 8.279 0.020 . 1 . . . . B 14 A H8 . 34784 1 196 . 2 . 2 3 3 A C1' C 13 91.846 0.3 . 1 . . . . B 14 A C1' . 34784 1 197 . 2 . 2 3 3 A C2 C 13 153.127 0.3 . 1 . . . . B 14 A C2 . 34784 1 198 . 2 . 2 3 3 A C2' C 13 75.603 0.3 . 1 . . . . B 14 A C2' . 34784 1 199 . 2 . 2 3 3 A C3' C 13 77.111 0.3 . 1 . . . . B 14 A C3' . 34784 1 200 . 2 . 2 3 3 A C4' C 13 83.671 0.3 . 1 . . . . B 14 A C4' . 34784 1 201 . 2 . 2 3 3 A C5' C 13 67.478 0.3 . 1 . . . . B 14 A C5' . 34784 1 202 . 2 . 2 3 3 A C8 C 13 142.798 0.3 . 1 . . . . B 14 A C8 . 34784 1 203 . 2 . 2 4 4 G H1' H 1 5.530 0.020 . 1 . . . . B 15 G H1' . 34784 1 204 . 2 . 2 4 4 G H2' H 1 4.723 0.020 . 1 . . . . B 15 G H2' . 34784 1 205 . 2 . 2 4 4 G H3' H 1 4.517 0.020 . 1 . . . . B 15 G H3' . 34784 1 206 . 2 . 2 4 4 G H4' H 1 4.617 0.020 . 1 . . . . B 15 G H4' . 34784 1 207 . 2 . 2 4 4 G H5' H 1 4.429 0.020 . 2 . . . . B 15 G H5' . 34784 1 208 . 2 . 2 4 4 G H5'' H 1 4.146 0.020 . 2 . . . . B 15 G H5'' . 34784 1 209 . 2 . 2 4 4 G H8 H 1 7.383 0.020 . 1 . . . . B 15 G H8 . 34784 1 210 . 2 . 2 4 4 G C1' C 13 92.924 0.3 . 1 . . . . B 15 G C1' . 34784 1 211 . 2 . 2 4 4 G C2' C 13 74.844 0.3 . 1 . . . . B 15 G C2' . 34784 1 212 . 2 . 2 4 4 G C3' C 13 72.785 0.3 . 1 . . . . B 15 G C3' . 34784 1 213 . 2 . 2 4 4 G C4' C 13 84.717 0.3 . 1 . . . . B 15 G C4' . 34784 1 214 . 2 . 2 4 4 G C5' C 13 65.699 0.3 . 1 . . . . B 15 G C5' . 34784 1 215 . 2 . 2 4 4 G C8 C 13 136.659 0.3 . 1 . . . . B 15 G C8 . 34784 1 216 . 2 . 2 5 5 U H1' H 1 5.522 0.020 . 1 . . . . B 16 U H1' . 34784 1 217 . 2 . 2 5 5 U H2' H 1 4.588 0.020 . 1 . . . . B 16 U H2' . 34784 1 218 . 2 . 2 5 5 U H3 H 1 13.648 0.020 . 1 . . . . B 16 U H3 . 34784 1 219 . 2 . 2 5 5 U H3' H 1 4.557 0.020 . 1 . . . . B 16 U H3' . 34784 1 220 . 2 . 2 5 5 U H4' H 1 4.325 0.020 . 1 . . . . B 16 U H4' . 34784 1 221 . 2 . 2 5 5 U H5 H 1 5.114 0.020 . 1 . . . . B 16 U H5 . 34784 1 222 . 2 . 2 5 5 U H5' H 1 4.563 0.020 . 2 . . . . B 16 U H5' . 34784 1 223 . 2 . 2 5 5 U H5'' H 1 4.140 0.020 . 2 . . . . B 16 U H5'' . 34784 1 224 . 2 . 2 5 5 U H6 H 1 7.755 0.020 . 1 . . . . B 16 U H6 . 34784 1 225 . 2 . 2 5 5 U C1' C 13 93.461 0.3 . 1 . . . . B 16 U C1' . 34784 1 226 . 2 . 2 5 5 U C2' C 13 73.243 0.3 . 1 . . . . B 16 U C2' . 34784 1 227 . 2 . 2 5 5 U C3' C 13 74.726 0.3 . 1 . . . . B 16 U C3' . 34784 1 228 . 2 . 2 5 5 U C4' C 13 83.502 0.3 . 1 . . . . B 16 U C4' . 34784 1 229 . 2 . 2 5 5 U C5 C 13 102.649 0.3 . 1 . . . . B 16 U C5 . 34784 1 230 . 2 . 2 5 5 U C5' C 13 64.238 0.3 . 1 . . . . B 16 U C5' . 34784 1 231 . 2 . 2 5 5 U C6 C 13 141.394 0.3 . 1 . . . . B 16 U C6 . 34784 1 232 . 2 . 2 6 6 A H1' H 1 5.940 0.020 . 1 . . . . B 17 A H1' . 34784 1 233 . 2 . 2 6 6 A H2 H 1 6.433 0.020 . 1 . . . . B 17 A H2 . 34784 1 234 . 2 . 2 6 6 A H2' H 1 4.729 0.020 . 1 . . . . B 17 A H2' . 34784 1 235 . 2 . 2 6 6 A H3' H 1 4.566 0.020 . 1 . . . . B 17 A H3' . 34784 1 236 . 2 . 2 6 6 A H4' H 1 4.449 0.020 . 1 . . . . B 17 A H4' . 34784 1 237 . 2 . 2 6 6 A H5' H 1 4.172 0.020 . 2 . . . . B 17 A H5' . 34784 1 238 . 2 . 2 6 6 A H5'' H 1 4.350 0.020 . 2 . . . . B 17 A H5'' . 34784 1 239 . 2 . 2 6 6 A H8 H 1 8.073 0.020 . 1 . . . . B 17 A H8 . 34784 1 240 . 2 . 2 6 6 A C1' C 13 92.217 0.3 . 1 . . . . B 17 A C1' . 34784 1 241 . 2 . 2 6 6 A C2 C 13 151.909 0.3 . 1 . . . . B 17 A C2 . 34784 1 242 . 2 . 2 6 6 A C2' C 13 73.029 0.3 . 1 . . . . B 17 A C2' . 34784 1 243 . 2 . 2 6 6 A C3' C 13 74.549 0.3 . 1 . . . . B 17 A C3' . 34784 1 244 . 2 . 2 6 6 A C4' C 13 81.825 0.3 . 1 . . . . B 17 A C4' . 34784 1 245 . 2 . 2 6 6 A C5' C 13 66.802 0.3 . 1 . . . . B 17 A C5' . 34784 1 246 . 2 . 2 6 6 A C8 C 13 139.532 0.3 . 1 . . . . B 17 A C8 . 34784 1 247 . 2 . 2 7 7 A H1' H 1 5.781 0.020 . 1 . . . . B 18 A H1' . 34784 1 248 . 2 . 2 7 7 A H2 H 1 7.324 0.020 . 1 . . . . B 18 A H2 . 34784 1 249 . 2 . 2 7 7 A H2' H 1 4.607 0.020 . 1 . . . . B 18 A H2' . 34784 1 250 . 2 . 2 7 7 A H3' H 1 4.492 0.020 . 1 . . . . B 18 A H3' . 34784 1 251 . 2 . 2 7 7 A H4' H 1 4.542 0.020 . 1 . . . . B 18 A H4' . 34784 1 252 . 2 . 2 7 7 A H5' H 1 4.128 0.020 . 2 . . . . B 18 A H5' . 34784 1 253 . 2 . 2 7 7 A H5'' H 1 4.298 0.020 . 2 . . . . B 18 A H5'' . 34784 1 254 . 2 . 2 7 7 A H8 H 1 7.644 0.020 . 1 . . . . B 18 A H8 . 34784 1 255 . 2 . 2 7 7 A C1' C 13 92.481 0.3 . 1 . . . . B 18 A C1' . 34784 1 256 . 2 . 2 7 7 A C2 C 13 152.792 0.3 . 1 . . . . B 18 A C2 . 34784 1 257 . 2 . 2 7 7 A C2' C 13 76.251 0.3 . 1 . . . . B 18 A C2' . 34784 1 258 . 2 . 2 7 7 A C3' C 13 72.380 0.3 . 1 . . . . B 18 A C3' . 34784 1 259 . 2 . 2 7 7 A C4' C 13 82.247 0.3 . 1 . . . . B 18 A C4' . 34784 1 260 . 2 . 2 7 7 A C5' C 13 67.250 0.3 . 1 . . . . B 18 A C5' . 34784 1 261 . 2 . 2 7 7 A C8 C 13 138.964 0.3 . 1 . . . . B 18 A C8 . 34784 1 262 . 2 . 2 8 8 G H1 H 1 12.543 0.020 . 1 . . . . B 19 G H1 . 34784 1 263 . 2 . 2 8 8 G H1' H 1 5.537 0.020 . 1 . . . . B 19 G H1' . 34784 1 264 . 2 . 2 8 8 G H2' H 1 4.559 0.020 . 1 . . . . B 19 G H2' . 34784 1 265 . 2 . 2 8 8 G H3' H 1 4.567 0.020 . 1 . . . . B 19 G H3' . 34784 1 266 . 2 . 2 8 8 G H4' H 1 4.409 0.020 . 1 . . . . B 19 G H4' . 34784 1 267 . 2 . 2 8 8 G H5' H 1 4.354 0.020 . 2 . . . . B 19 G H5' . 34784 1 268 . 2 . 2 8 8 G H5'' H 1 4.001 0.020 . 2 . . . . B 19 G H5'' . 34784 1 269 . 2 . 2 8 8 G H8 H 1 7.052 0.020 . 1 . . . . B 19 G H8 . 34784 1 270 . 2 . 2 8 8 G C1' C 13 92.764 0.3 . 1 . . . . B 19 G C1' . 34784 1 271 . 2 . 2 8 8 G C2' C 13 75.451 0.3 . 1 . . . . B 19 G C2' . 34784 1 272 . 2 . 2 8 8 G C3' C 13 71.928 0.3 . 1 . . . . B 19 G C3' . 34784 1 273 . 2 . 2 8 8 G C4' C 13 81.928 0.3 . 1 . . . . B 19 G C4' . 34784 1 274 . 2 . 2 8 8 G C5' C 13 65.542 0.3 . 1 . . . . B 19 G C5' . 34784 1 275 . 2 . 2 8 8 G C8 C 13 135.670 0.3 . 1 . . . . B 19 G C8 . 34784 1 276 . 2 . 2 9 9 U H1' H 1 5.694 0.020 . 1 . . . . B 20 U H1' . 34784 1 277 . 2 . 2 9 9 U H2' H 1 4.462 0.020 . 1 . . . . B 20 U H2' . 34784 1 278 . 2 . 2 9 9 U H3' H 1 4.396 0.020 . 1 . . . . B 20 U H3' . 34784 1 279 . 2 . 2 9 9 U H4' H 1 4.513 0.020 . 1 . . . . B 20 U H4' . 34784 1 280 . 2 . 2 9 9 U H5 H 1 5.016 0.020 . 1 . . . . B 20 U H5 . 34784 1 281 . 2 . 2 9 9 U H5' H 1 4.352 0.020 . 2 . . . . B 20 U H5' . 34784 1 282 . 2 . 2 9 9 U H5'' H 1 4.046 0.020 . 2 . . . . B 20 U H5'' . 34784 1 283 . 2 . 2 9 9 U H6 H 1 7.553 0.020 . 1 . . . . B 20 U H6 . 34784 1 284 . 2 . 2 9 9 U C1' C 13 92.632 0.3 . 1 . . . . B 20 U C1' . 34784 1 285 . 2 . 2 9 9 U C2' C 13 74.224 0.3 . 1 . . . . B 20 U C2' . 34784 1 286 . 2 . 2 9 9 U C3' C 13 74.751 0.3 . 1 . . . . B 20 U C3' . 34784 1 287 . 2 . 2 9 9 U C4' C 13 82.551 0.3 . 1 . . . . B 20 U C4' . 34784 1 288 . 2 . 2 9 9 U C5 C 13 102.820 0.3 . 1 . . . . B 20 U C5 . 34784 1 289 . 2 . 2 9 9 U C5' C 13 65.680 0.3 . 1 . . . . B 20 U C5' . 34784 1 290 . 2 . 2 9 9 U C6 C 13 141.429 0.3 . 1 . . . . B 20 U C6 . 34784 1 291 . 2 . 2 10 10 C H1' H 1 5.710 0.020 . 1 . . . . B 21 C H1' . 34784 1 292 . 2 . 2 10 10 C H2' H 1 4.418 0.020 . 1 . . . . B 21 C H2' . 34784 1 293 . 2 . 2 10 10 C H3' H 1 4.220 0.020 . 1 . . . . B 21 C H3' . 34784 1 294 . 2 . 2 10 10 C H4' H 1 4.323 0.020 . 1 . . . . B 21 C H4' . 34784 1 295 . 2 . 2 10 10 C H5 H 1 5.814 0.020 . 1 . . . . B 21 C H5 . 34784 1 296 . 2 . 2 10 10 C H5' H 1 4.092 0.020 . 2 . . . . B 21 C H5' . 34784 1 297 . 2 . 2 10 10 C H5'' H 1 4.076 0.020 . 2 . . . . B 21 C H5'' . 34784 1 298 . 2 . 2 10 10 C H6 H 1 7.772 0.020 . 1 . . . . B 21 C H6 . 34784 1 299 . 2 . 2 10 10 C C1' C 13 92.701 0.3 . 1 . . . . B 21 C C1' . 34784 1 300 . 2 . 2 10 10 C C2' C 13 75.619 0.3 . 1 . . . . B 21 C C2' . 34784 1 301 . 2 . 2 10 10 C C3' C 13 75.501 0.3 . 1 . . . . B 21 C C3' . 34784 1 302 . 2 . 2 10 10 C C4' C 13 82.432 0.3 . 1 . . . . B 21 C C4' . 34784 1 303 . 2 . 2 10 10 C C5 C 13 98.054 0.3 . 1 . . . . B 21 C C5 . 34784 1 304 . 2 . 2 10 10 C C5' C 13 66.790 0.3 . 1 . . . . B 21 C C5' . 34784 1 305 . 2 . 2 10 10 C C6 C 13 142.727 0.3 . 1 . . . . B 21 C C6 . 34784 1 306 . 2 . 2 11 11 U H1' H 1 5.745 0.020 . 1 . . . . B 22 U H1' . 34784 1 307 . 2 . 2 11 11 U H2' H 1 4.429 0.020 . 1 . . . . B 22 U H2' . 34784 1 308 . 2 . 2 11 11 U H3' H 1 4.208 0.020 . 1 . . . . B 22 U H3' . 34784 1 309 . 2 . 2 11 11 U H4' H 1 4.141 0.020 . 1 . . . . B 22 U H4' . 34784 1 310 . 2 . 2 11 11 U H5 H 1 5.667 0.020 . 1 . . . . B 22 U H5 . 34784 1 311 . 2 . 2 11 11 U H5' H 1 4.110 0.020 . 1 . . . . B 22 U H5' . 34784 1 312 . 2 . 2 11 11 U H5'' H 1 4.110 0.020 . 1 . . . . B 22 U H5'' . 34784 1 313 . 2 . 2 11 11 U H6 H 1 7.745 0.020 . 1 . . . . B 22 U H6 . 34784 1 314 . 2 . 2 11 11 U C1' C 13 91.009 0.3 . 1 . . . . B 22 U C1' . 34784 1 315 . 2 . 2 11 11 U C2' C 13 75.392 0.3 . 1 . . . . B 22 U C2' . 34784 1 316 . 2 . 2 11 11 U C3' C 13 71.369 0.3 . 1 . . . . B 22 U C3' . 34784 1 317 . 2 . 2 11 11 U C4' C 13 85.020 0.3 . 1 . . . . B 22 U C4' . 34784 1 318 . 2 . 2 11 11 U C5 C 13 104.564 0.3 . 1 . . . . B 22 U C5 . 34784 1 319 . 2 . 2 11 11 U C5' C 13 66.386 0.3 . 1 . . . . B 22 U C5' . 34784 1 320 . 2 . 2 11 11 U C6 C 13 143.298 0.3 . 1 . . . . B 22 U C6 . 34784 1 321 . 3 . 3 1 1 ULR H28A H 1 2.247 0.020 . 1 . . . . C 101 ULR H28A . 34784 1 322 . 3 . 3 1 1 ULR H28B H 1 2.247 0.020 . 1 . . . . C 101 ULR H29B . 34784 1 323 . 3 . 3 1 1 ULR H28C H 1 2.247 0.020 . 1 . . . . C 101 ULR H28C . 34784 1 324 . 3 . 3 1 1 ULR H25 H 1 7.392 0.020 . 1 . . . . C 101 ULR H25 . 34784 1 325 . 3 . 3 1 1 ULR H21 H 1 8.581 0.020 . 1 . . . . C 101 ULR H21 . 34784 1 326 . 3 . 3 1 1 ULR H24 H 1 8.227 0.020 . 1 . . . . C 101 ULR H24 . 34784 1 327 . 3 . 3 1 1 ULR H13 H 1 7.286 0.020 . 1 . . . . C 101 ULR H13 . 34784 1 328 . 3 . 3 1 1 ULR H12 H 1 6.351 0.020 . 1 . . . . C 101 ULR H12 . 34784 1 329 . 3 . 3 1 1 ULR H3A H 1 2.988 0.020 . 2 . . . . C 101 ULR H3A . 34784 1 330 . 3 . 3 1 1 ULR H3B H 1 2.988 0.020 . 2 . . . . C 101 ULR H3B . 34784 1 331 . 3 . 3 1 1 ULR H4A H 1 3.159 0.020 . 2 . . . . C 101 ULR H4A . 34784 1 332 . 3 . 3 1 1 ULR H4B H 1 3.106 0.020 . 2 . . . . C 101 ULR H4B . 34784 1 333 . 3 . 3 1 1 ULR H1A H 1 3.681 0.020 . 2 . . . . C 101 ULR H1A . 34784 1 334 . 3 . 3 1 1 ULR H1B H 1 3.681 0.020 . 2 . . . . C 101 ULR H1B . 34784 1 335 . 3 . 3 1 1 ULR H6 H 1 2.778 0.020 . 2 . . . . C 101 ULR H6 . 34784 1 336 . 3 . 3 1 1 ULR H14A H 1 1.654 0.020 . 2 . . . . C 101 ULR H14A . 34784 1 337 . 3 . 3 1 1 ULR H14B H 1 1.654 0.020 . 1 . . . . C 101 ULR H14B . 34784 1 338 . 3 . 3 1 1 ULR H15A H 1 0.974 0.020 . 1 . . . . C 101 ULR H15A . 34784 1 339 . 3 . 3 1 1 ULR H15B H 1 0.974 0.020 . 1 . . . . C 101 ULR H15B . 34784 1 340 . 3 . 3 1 1 ULR H15C H 1 0.974 0.020 . 1 . . . . C 101 ULR H15C . 34784 1 341 . 3 . 3 1 1 ULR H10 H 1 6.248 0.020 . 1 . . . . C 101 ULR H10 . 34784 1 stop_ save_