################################### # 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 30622 _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' . . . 30622 1 2 '2D 1H-1H TOCSY' . . . 30622 1 3 '2D 1H-1H NOESY' . . . 30622 1 4 '2D 1H-1H NOESY' . . . 30622 1 5 '2D 1H-15N HSQC' . . . 30622 1 6 '2D 1H-13C HSQC' . . . 30622 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 12.112 . . . . . . . A 1 G H1 . 30622 1 2 . 1 . 1 1 1 G H1' H 1 5.642 . . . . . . . A 1 G H1' . 30622 1 3 . 1 . 1 1 1 G H3' H 1 4.954 . . . . . . . A 1 G H3' . 30622 1 4 . 1 . 1 1 1 G H4' H 1 4.531 . . . . . . . A 1 G H4' . 30622 1 5 . 1 . 1 1 1 G H5' H 1 4.399 . . . . . . . A 1 G H5' . 30622 1 6 . 1 . 1 1 1 G H5'' H 1 4.232 . . . . . . . A 1 G H5'' . 30622 1 7 . 1 . 1 1 1 G H8 H 1 8.079 . . . . . . . A 1 G H8 . 30622 1 8 . 1 . 1 1 1 G C1' C 13 88.746 . . . . . . . A 1 G C1' . 30622 1 9 . 1 . 1 1 1 G C2' C 13 72.385 . . . . . . . A 1 G C2' . 30622 1 10 . 1 . 1 1 1 G C3' C 13 71.928 . . . . . . . A 1 G C3' . 30622 1 11 . 1 . 1 1 1 G C4' C 13 80.652 . . . . . . . A 1 G C4' . 30622 1 12 . 1 . 1 1 1 G C5' C 13 63.341 . . . . . . . A 1 G C5' . 30622 1 13 . 1 . 1 1 1 G C8 C 13 136.206 . . . . . . . A 1 G C8 . 30622 1 14 . 1 . 1 1 1 G HO2' H 1 4.907 . . . . . . . A 1 G HO2' . 30622 1 15 . 1 . 1 2 2 G H1 H 1 12.119 . . . . . . . A 2 G H1 . 30622 1 16 . 1 . 1 2 2 G H1' H 1 5.872 . . . . . . . A 2 G H1' . 30622 1 17 . 1 . 1 2 2 G H3' H 1 4.555 . . . . . . . A 2 G H3' . 30622 1 18 . 1 . 1 2 2 G H4' H 1 4.464 . . . . . . . A 2 G H4' . 30622 1 19 . 1 . 1 2 2 G H5' H 1 4.455 . . . . . . . A 2 G H5' . 30622 1 20 . 1 . 1 2 2 G H5'' H 1 4.245 . . . . . . . A 2 G H5'' . 30622 1 21 . 1 . 1 2 2 G H8 H 1 7.495 . . . . . . . A 2 G H8 . 30622 1 22 . 1 . 1 2 2 G H22 H 1 5.685 . . . . . . . A 2 G H22 . 30622 1 23 . 1 . 1 2 2 G C1' C 13 90.192 . . . . . . . A 2 G C1' . 30622 1 24 . 1 . 1 2 2 G C2' C 13 72.975 . . . . . . . A 2 G C2' . 30622 1 25 . 1 . 1 2 2 G C3' C 13 70.394 . . . . . . . A 2 G C3' . 30622 1 26 . 1 . 1 2 2 G C5' C 13 64.073 . . . . . . . A 2 G C5' . 30622 1 27 . 1 . 1 2 2 G C8 C 13 134.253 . . . . . . . A 2 G C8 . 30622 1 28 . 1 . 1 2 2 G N1 N 15 146.86 . . . . . . . A 2 G N1 . 30622 1 29 . 1 . 1 2 2 G HO2' H 1 4.643 . . . . . . . A 2 G HO2' . 30622 1 30 . 1 . 1 3 3 A H1' H 1 5.962 . . . . . . . A 3 A H1' . 30622 1 31 . 1 . 1 3 3 A H2 H 1 7.442 . . . . . . . A 3 A H2 . 30622 1 32 . 1 . 1 3 3 A H3' H 1 4.566 . . . . . . . A 3 A H3' . 30622 1 33 . 1 . 1 3 3 A H4' H 1 4.485 . . . . . . . A 3 A H4' . 30622 1 34 . 1 . 1 3 3 A H5' H 1 4.136 . . . . . . . A 3 A H5' . 30622 1 35 . 1 . 1 3 3 A H5'' H 1 4.138 . . . . . . . A 3 A H5'' . 30622 1 36 . 1 . 1 3 3 A H8 H 1 7.722 . . . . . . . A 3 A H8 . 30622 1 37 . 1 . 1 3 3 A H61 H 1 7.945 . . . . . . . A 3 A H61 . 30622 1 38 . 1 . 1 3 3 A H62 H 1 6.747 . . . . . . . A 3 A H62 . 30622 1 39 . 1 . 1 3 3 A C1' C 13 90.162 . . . . . . . A 3 A C1' . 30622 1 40 . 1 . 1 3 3 A C2 C 13 150.957 . . . . . . . A 3 A C2 . 30622 1 41 . 1 . 1 3 3 A C2' C 13 72.65 . . . . . . . A 3 A C2' . 30622 1 42 . 1 . 1 3 3 A C3' C 13 73.517 . . . . . . . A 3 A C3' . 30622 1 43 . 1 . 1 3 3 A C4' C 13 79.224 . . . . . . . A 3 A C4' . 30622 1 44 . 1 . 1 3 3 A C5' C 13 62.2 . . . . . . . A 3 A C5' . 30622 1 45 . 1 . 1 3 3 A C8 C 13 136.453 . . . . . . . A 3 A C8 . 30622 1 46 . 1 . 1 3 3 A HO2' H 1 4.641 . . . . . . . A 3 A HO2' . 30622 1 47 . 1 . 1 4 4 G H1 H 1 12.407 . . . . . . . A 4 G H1 . 30622 1 48 . 1 . 1 4 4 G H1' H 1 5.667 . . . . . . . A 4 G H1' . 30622 1 49 . 1 . 1 4 4 G H3' H 1 4.397 . . . . . . . A 4 G H3' . 30622 1 50 . 1 . 1 4 4 G H4' H 1 4.269 . . . . . . . A 4 G H4' . 30622 1 51 . 1 . 1 4 4 G H5'' H 1 4.019 . . . . . . . A 4 G H5'' . 30622 1 52 . 1 . 1 4 4 G H8 H 1 7.124 . . . . . . . A 4 G H8 . 30622 1 53 . 1 . 1 4 4 G H21 H 1 7.848 . . . . . . . A 4 G H21 . 30622 1 54 . 1 . 1 4 4 G H22 H 1 5.765 . . . . . . . A 4 G H22 . 30622 1 55 . 1 . 1 4 4 G C1' C 13 89.464 . . . . . . . A 4 G C1' . 30622 1 56 . 1 . 1 4 4 G C2' C 13 73.329 . . . . . . . A 4 G C2' . 30622 1 57 . 1 . 1 4 4 G C3' C 13 70.413 . . . . . . . A 4 G C3' . 30622 1 58 . 1 . 1 4 4 G C5' C 13 62.868 . . . . . . . A 4 G C5' . 30622 1 59 . 1 . 1 4 4 G C8 C 13 133.144 . . . . . . . A 4 G C8 . 30622 1 60 . 1 . 1 4 4 G N1 N 15 147.6 . . . . . . . A 4 G N1 . 30622 1 61 . 1 . 1 4 4 G HO2' H 1 4.456 . . . . . . . A 4 G HO2' . 30622 1 62 . 1 . 1 5 5 G H1 H 1 10.716 . . . . . . . A 5 G H1 . 30622 1 63 . 1 . 1 5 5 G H1' H 1 5.706 . . . . . . . A 5 G H1' . 30622 1 64 . 1 . 1 5 5 G H3' H 1 4.244 . . . . . . . A 5 G H3' . 30622 1 65 . 1 . 1 5 5 G H4' H 1 4.272 . . . . . . . A 5 G H4' . 30622 1 66 . 1 . 1 5 5 G H5' H 1 3.958 . . . . . . . A 5 G H5' . 30622 1 67 . 1 . 1 5 5 G H5'' H 1 4.013 . . . . . . . A 5 G H5'' . 30622 1 68 . 1 . 1 5 5 G H8 H 1 7.008 . . . . . . . A 5 G H8 . 30622 1 69 . 1 . 1 5 5 G H21 H 1 6.111 . . . . . . . A 5 G H21 . 30622 1 70 . 1 . 1 5 5 G H22 H 1 5.515 . . . . . . . A 5 G H22 . 30622 1 71 . 1 . 1 5 5 G C1' C 13 90.744 . . . . . . . A 5 G C1' . 30622 1 72 . 1 . 1 5 5 G C2' C 13 72.395 . . . . . . . A 5 G C2' . 30622 1 73 . 1 . 1 5 5 G C3' C 13 70.88 . . . . . . . A 5 G C3' . 30622 1 74 . 1 . 1 5 5 G C5' C 13 64.453 . . . . . . . A 5 G C5' . 30622 1 75 . 1 . 1 5 5 G C8 C 13 134.042 . . . . . . . A 5 G C8 . 30622 1 76 . 1 . 1 5 5 G N1 N 15 143.24 . . . . . . . A 5 G N1 . 30622 1 77 . 1 . 1 5 5 G HO2' H 1 4.732 . . . . . . . A 5 G HO2' . 30622 1 78 . 1 . 1 6 6 G H1 H 1 13.15 . . . . . . . A 6 G H1 . 30622 1 79 . 1 . 1 6 6 G H1' H 1 5.767 . . . . . . . A 6 G H1' . 30622 1 80 . 1 . 1 6 6 G H3' H 1 4.41 . . . . . . . A 6 G H3' . 30622 1 81 . 1 . 1 6 6 G H5'' H 1 4.045 . . . . . . . A 6 G H5'' . 30622 1 82 . 1 . 1 6 6 G H8 H 1 7.158 . . . . . . . A 6 G H8 . 30622 1 83 . 1 . 1 6 6 G H21 H 1 8.463 . . . . . . . A 6 G H21 . 30622 1 84 . 1 . 1 6 6 G H22 H 1 6.323 . . . . . . . A 6 G H22 . 30622 1 85 . 1 . 1 6 6 G C1' C 13 90.272 . . . . . . . A 6 G C1' . 30622 1 86 . 1 . 1 6 6 G C2' C 13 74.103 . . . . . . . A 6 G C2' . 30622 1 87 . 1 . 1 6 6 G C3' C 13 69.394 . . . . . . . A 6 G C3' . 30622 1 88 . 1 . 1 6 6 G C5' C 13 61.595 . . . . . . . A 6 G C5' . 30622 1 89 . 1 . 1 6 6 G C8 C 13 133.127 . . . . . . . A 6 G C8 . 30622 1 90 . 1 . 1 6 6 G N1 N 15 148.03 . . . . . . . A 6 G N1 . 30622 1 91 . 1 . 1 6 6 G HO2' H 1 4.545 . . . . . . . A 6 G HO2' . 30622 1 92 . 1 . 1 7 7 U H1' H 1 5.493 . . . . . . . A 7 U H1' . 30622 1 93 . 1 . 1 7 7 U H3 H 1 11.364 . . . . . . . A 7 U H3 . 30622 1 94 . 1 . 1 7 7 U H3' H 1 4.394 . . . . . . . A 7 U H3' . 30622 1 95 . 1 . 1 7 7 U H4' H 1 4.456 . . . . . . . A 7 U H4' . 30622 1 96 . 1 . 1 7 7 U H5 H 1 5.434 . . . . . . . A 7 U H5 . 30622 1 97 . 1 . 1 7 7 U H5' H 1 4.085 . . . . . . . A 7 U H5' . 30622 1 98 . 1 . 1 7 7 U H5'' H 1 4.037 . . . . . . . A 7 U H5'' . 30622 1 99 . 1 . 1 7 7 U H6 H 1 7.522 . . . . . . . A 7 U H6 . 30622 1 100 . 1 . 1 7 7 U C1' C 13 90.611 . . . . . . . A 7 U C1' . 30622 1 101 . 1 . 1 7 7 U C2' C 13 73.145 . . . . . . . A 7 U C2' . 30622 1 102 . 1 . 1 7 7 U C4' C 13 79.567 . . . . . . . A 7 U C4' . 30622 1 103 . 1 . 1 7 7 U C5 C 13 101.777 . . . . . . . A 7 U C5 . 30622 1 104 . 1 . 1 7 7 U C5' C 13 64.195 . . . . . . . A 7 U C5' . 30622 1 105 . 1 . 1 7 7 U C6 C 13 137.461 . . . . . . . A 7 U C6 . 30622 1 106 . 1 . 1 7 7 U N3 N 15 158.36 . . . . . . . A 7 U N3 . 30622 1 107 . 1 . 1 7 7 U HO2' H 1 4.256 . . . . . . . A 7 U HO2' . 30622 1 108 . 1 . 1 8 8 A H1' H 1 5.819 . . . . . . . A 8 A H1' . 30622 1 109 . 1 . 1 8 8 A H2 H 1 7.462 . . . . . . . A 8 A H2 . 30622 1 110 . 1 . 1 8 8 A H3' H 1 4.493 . . . . . . . A 8 A H3' . 30622 1 111 . 1 . 1 8 8 A H4' H 1 4.559 . . . . . . . A 8 A H4' . 30622 1 112 . 1 . 1 8 8 A H5' H 1 4.091 . . . . . . . A 8 A H5' . 30622 1 113 . 1 . 1 8 8 A H8 H 1 8.096 . . . . . . . A 8 A H8 . 30622 1 114 . 1 . 1 8 8 A C1' C 13 89.594 . . . . . . . A 8 A C1' . 30622 1 115 . 1 . 1 8 8 A C2 C 13 150.604 . . . . . . . A 8 A C2 . 30622 1 116 . 1 . 1 8 8 A C2' C 13 73.004 . . . . . . . A 8 A C2' . 30622 1 117 . 1 . 1 8 8 A C5' C 13 63.98 . . . . . . . A 8 A C5' . 30622 1 118 . 1 . 1 8 8 A C8 C 13 137.998 . . . . . . . A 8 A C8 . 30622 1 119 . 1 . 1 8 8 A HO2' H 1 4.471 . . . . . . . A 8 A HO2' . 30622 1 120 . 1 . 1 9 9 G H1' H 1 5.474 . . . . . . . A 9 G H1' . 30622 1 121 . 1 . 1 9 9 G H3' H 1 4.583 . . . . . . . A 9 G H3' . 30622 1 122 . 1 . 1 9 9 G H4' H 1 4.377 . . . . . . . A 9 G H4' . 30622 1 123 . 1 . 1 9 9 G H5' H 1 4.266 . . . . . . . A 9 G H5' . 30622 1 124 . 1 . 1 9 9 G H5'' H 1 4.061 . . . . . . . A 9 G H5'' . 30622 1 125 . 1 . 1 9 9 G H8 H 1 7.598 . . . . . . . A 9 G H8 . 30622 1 126 . 1 . 1 9 9 G C1' C 13 88.187 . . . . . . . A 9 G C1' . 30622 1 127 . 1 . 1 9 9 G C2' C 13 72.083 . . . . . . . A 9 G C2' . 30622 1 128 . 1 . 1 9 9 G C4' C 13 81.738 . . . . . . . A 9 G C4' . 30622 1 129 . 1 . 1 9 9 G C5' C 13 64.168 . . . . . . . A 9 G C5' . 30622 1 130 . 1 . 1 9 9 G C8 C 13 136.506 . . . . . . . A 9 G C8 . 30622 1 131 . 1 . 1 9 9 G HO2' H 1 4.546 . . . . . . . A 9 G HO2' . 30622 1 132 . 1 . 1 10 10 A H1' H 1 5.956 . . . . . . . A 10 A H1' . 30622 1 133 . 1 . 1 10 10 A H2 H 1 8.064 . . . . . . . A 10 A H2 . 30622 1 134 . 1 . 1 10 10 A H3' H 1 4.716 . . . . . . . A 10 A H3' . 30622 1 135 . 1 . 1 10 10 A H4' H 1 4.442 . . . . . . . A 10 A H4' . 30622 1 136 . 1 . 1 10 10 A H5' H 1 4.236 . . . . . . . A 10 A H5' . 30622 1 137 . 1 . 1 10 10 A H5'' H 1 4.078 . . . . . . . A 10 A H5'' . 30622 1 138 . 1 . 1 10 10 A H8 H 1 8.234 . . . . . . . A 10 A H8 . 30622 1 139 . 1 . 1 10 10 A C1' C 13 87.529 . . . . . . . A 10 A C1' . 30622 1 140 . 1 . 1 10 10 A C2 C 13 152.197 . . . . . . . A 10 A C2 . 30622 1 141 . 1 . 1 10 10 A C2' C 13 73.768 . . . . . . . A 10 A C2' . 30622 1 142 . 1 . 1 10 10 A C3' C 13 73.357 . . . . . . . A 10 A C3' . 30622 1 143 . 1 . 1 10 10 A C4' C 13 82.5 . . . . . . . A 10 A C4' . 30622 1 144 . 1 . 1 10 10 A C5' C 13 63.577 . . . . . . . A 10 A C5' . 30622 1 145 . 1 . 1 10 10 A C8 C 13 139.12 . . . . . . . A 10 A C8 . 30622 1 146 . 1 . 1 10 10 A HO2' H 1 4.656 . . . . . . . A 10 A HO2' . 30622 1 147 . 1 . 1 11 11 C H1' H 1 5.758 . . . . . . . A 11 C H1' . 30622 1 148 . 1 . 1 11 11 C H3' H 1 4.542 . . . . . . . A 11 C H3' . 30622 1 149 . 1 . 1 11 11 C H4' H 1 4.349 . . . . . . . A 11 C H4' . 30622 1 150 . 1 . 1 11 11 C H5 H 1 5.698 . . . . . . . A 11 C H5 . 30622 1 151 . 1 . 1 11 11 C H6 H 1 7.613 . . . . . . . A 11 C H6 . 30622 1 152 . 1 . 1 11 11 C C1' C 13 88.456 . . . . . . . A 11 C C1' . 30622 1 153 . 1 . 1 11 11 C C2' C 13 73.697 . . . . . . . A 11 C C2' . 30622 1 154 . 1 . 1 11 11 C C3' C 13 69.676 . . . . . . . A 11 C C3' . 30622 1 155 . 1 . 1 11 11 C C4' C 13 82.104 . . . . . . . A 11 C C4' . 30622 1 156 . 1 . 1 11 11 C C5 C 13 94.741 . . . . . . . A 11 C C5 . 30622 1 157 . 1 . 1 11 11 C C6 C 13 140.506 . . . . . . . A 11 C C6 . 30622 1 158 . 1 . 1 11 11 C HO2' H 1 4.197 . . . . . . . A 11 C HO2' . 30622 1 159 . 1 . 1 12 12 U H1' H 1 5.86 . . . . . . . A 12 U H1' . 30622 1 160 . 1 . 1 12 12 U H4' H 1 4.418 . . . . . . . A 12 U H4' . 30622 1 161 . 1 . 1 12 12 U H5 H 1 5.798 . . . . . . . A 12 U H5 . 30622 1 162 . 1 . 1 12 12 U H5' H 1 4.569 . . . . . . . A 12 U H5' . 30622 1 163 . 1 . 1 12 12 U H5'' H 1 4.077 . . . . . . . A 12 U H5'' . 30622 1 164 . 1 . 1 12 12 U H6 H 1 7.751 . . . . . . . A 12 U H6 . 30622 1 165 . 1 . 1 12 12 U C1' C 13 88.596 . . . . . . . A 12 U C1' . 30622 1 166 . 1 . 1 12 12 U C2' C 13 73.2 . . . . . . . A 12 U C2' . 30622 1 167 . 1 . 1 12 12 U C4' C 13 81.904 . . . . . . . A 12 U C4' . 30622 1 168 . 1 . 1 12 12 U C5 C 13 102.509 . . . . . . . A 12 U C5 . 30622 1 169 . 1 . 1 12 12 U C5' C 13 62.121 . . . . . . . A 12 U C5' . 30622 1 170 . 1 . 1 12 12 U C6 C 13 141.065 . . . . . . . A 12 U C6 . 30622 1 171 . 1 . 1 12 12 U HO2' H 1 4.379 . . . . . . . A 12 U HO2' . 30622 1 172 . 1 . 1 13 13 C H1' H 1 5.987 . . . . . . . A 13 C H1' . 30622 1 173 . 1 . 1 13 13 C H3' H 1 4.522 . . . . . . . A 13 C H3' . 30622 1 174 . 1 . 1 13 13 C H4' H 1 4.273 . . . . . . . A 13 C H4' . 30622 1 175 . 1 . 1 13 13 C H5 H 1 6.037 . . . . . . . A 13 C H5 . 30622 1 176 . 1 . 1 13 13 C H5' H 1 4.199 . . . . . . . A 13 C H5' . 30622 1 177 . 1 . 1 13 13 C H5'' H 1 4.073 . . . . . . . A 13 C H5'' . 30622 1 178 . 1 . 1 13 13 C H6 H 1 7.898 . . . . . . . A 13 C H6 . 30622 1 179 . 1 . 1 13 13 C C1' C 13 89.025 . . . . . . . A 13 C C1' . 30622 1 180 . 1 . 1 13 13 C C2' C 13 72.763 . . . . . . . A 13 C C2' . 30622 1 181 . 1 . 1 13 13 C C5 C 13 96.217 . . . . . . . A 13 C C5 . 30622 1 182 . 1 . 1 13 13 C C5' C 13 64.821 . . . . . . . A 13 C C5' . 30622 1 183 . 1 . 1 13 13 C C6 C 13 139.679 . . . . . . . A 13 C C6 . 30622 1 184 . 1 . 1 13 13 C HO2' H 1 4.439 . . . . . . . A 13 C HO2' . 30622 1 185 . 1 . 1 14 14 G H1 H 1 10.813 . . . . . . . A 14 G H1 . 30622 1 186 . 1 . 1 14 14 G H1' H 1 5.728 . . . . . . . A 14 G H1' . 30622 1 187 . 1 . 1 14 14 G H3' H 1 4.374 . . . . . . . A 14 G H3' . 30622 1 188 . 1 . 1 14 14 G H4' H 1 4.339 . . . . . . . A 14 G H4' . 30622 1 189 . 1 . 1 14 14 G H5' H 1 4.25 . . . . . . . A 14 G H5' . 30622 1 190 . 1 . 1 14 14 G H5'' H 1 4.066 . . . . . . . A 14 G H5'' . 30622 1 191 . 1 . 1 14 14 G H8 H 1 7.95 . . . . . . . A 14 G H8 . 30622 1 192 . 1 . 1 14 14 G H21 H 1 6.03 . . . . . . . A 14 G H21 . 30622 1 193 . 1 . 1 14 14 G H22 H 1 5.522 . . . . . . . A 14 G H22 . 30622 1 194 . 1 . 1 14 14 G C1' C 13 90.616 . . . . . . . A 14 G C1' . 30622 1 195 . 1 . 1 14 14 G C2' C 13 72.338 . . . . . . . A 14 G C2' . 30622 1 196 . 1 . 1 14 14 G C3' C 13 69.04 . . . . . . . A 14 G C3' . 30622 1 197 . 1 . 1 14 14 G C5' C 13 64.921 . . . . . . . A 14 G C5' . 30622 1 198 . 1 . 1 14 14 G C8 C 13 135.472 . . . . . . . A 14 G C8 . 30622 1 199 . 1 . 1 14 14 G N1 N 15 143.64 . . . . . . . A 14 G N1 . 30622 1 200 . 1 . 1 14 14 G HO2' H 1 4.664 . . . . . . . A 14 G HO2' . 30622 1 201 . 1 . 1 15 15 C H1' H 1 5.434 . . . . . . . A 15 C H1' . 30622 1 202 . 1 . 1 15 15 C H3' H 1 4.375 . . . . . . . A 15 C H3' . 30622 1 203 . 1 . 1 15 15 C H5 H 1 5.351 . . . . . . . A 15 C H5 . 30622 1 204 . 1 . 1 15 15 C H5'' H 1 4.056 . . . . . . . A 15 C H5'' . 30622 1 205 . 1 . 1 15 15 C H6 H 1 7.557 . . . . . . . A 15 C H6 . 30622 1 206 . 1 . 1 15 15 C H41 H 1 8.123 . . . . . . . A 15 C H41 . 30622 1 207 . 1 . 1 15 15 C H42 H 1 6.793 . . . . . . . A 15 C H42 . 30622 1 208 . 1 . 1 15 15 C C1' C 13 91.11 . . . . . . . A 15 C C1' . 30622 1 209 . 1 . 1 15 15 C C2' C 13 72.267 . . . . . . . A 15 C C2' . 30622 1 210 . 1 . 1 15 15 C C5 C 13 94.671 . . . . . . . A 15 C C5 . 30622 1 211 . 1 . 1 15 15 C C6 C 13 137.76 . . . . . . . A 15 C C6 . 30622 1 212 . 1 . 1 15 15 C HO2' H 1 4.472 . . . . . . . A 15 C HO2' . 30622 1 213 . 1 . 1 16 16 U H1' H 1 5.67 . . . . . . . A 16 U H1' . 30622 1 214 . 1 . 1 16 16 U H3 H 1 11.643 . . . . . . . A 16 U H3 . 30622 1 215 . 1 . 1 16 16 U H3' H 1 4.531 . . . . . . . A 16 U H3' . 30622 1 216 . 1 . 1 16 16 U H5 H 1 5.778 . . . . . . . A 16 U H5 . 30622 1 217 . 1 . 1 16 16 U H5' H 1 4.347 . . . . . . . A 16 U H5' . 30622 1 218 . 1 . 1 16 16 U H5'' H 1 4.058 . . . . . . . A 16 U H5'' . 30622 1 219 . 1 . 1 16 16 U H6 H 1 7.836 . . . . . . . A 16 U H6 . 30622 1 220 . 1 . 1 16 16 U C1' C 13 91.275 . . . . . . . A 16 U C1' . 30622 1 221 . 1 . 1 16 16 U C2' C 13 73.032 . . . . . . . A 16 U C2' . 30622 1 222 . 1 . 1 16 16 U C3' C 13 72.631 . . . . . . . A 16 U C3' . 30622 1 223 . 1 . 1 16 16 U C5 C 13 102.338 . . . . . . . A 16 U C5 . 30622 1 224 . 1 . 1 16 16 U C5' C 13 64.593 . . . . . . . A 16 U C5' . 30622 1 225 . 1 . 1 16 16 U C6 C 13 138.355 . . . . . . . A 16 U C6 . 30622 1 226 . 1 . 1 16 16 U N3 N 15 157.74 . . . . . . . A 16 U N3 . 30622 1 227 . 1 . 1 16 16 U HO2' H 1 4.144 . . . . . . . A 16 U HO2' . 30622 1 228 . 1 . 1 17 17 C H1' H 1 5.678 . . . . . . . A 17 C H1' . 30622 1 229 . 1 . 1 17 17 C H3' H 1 4.126 . . . . . . . A 17 C H3' . 30622 1 230 . 1 . 1 17 17 C H4' H 1 4.38 . . . . . . . A 17 C H4' . 30622 1 231 . 1 . 1 17 17 C H5 H 1 5.694 . . . . . . . A 17 C H5 . 30622 1 232 . 1 . 1 17 17 C H5' H 1 4.308 . . . . . . . A 17 C H5' . 30622 1 233 . 1 . 1 17 17 C H5'' H 1 3.984 . . . . . . . A 17 C H5'' . 30622 1 234 . 1 . 1 17 17 C H6 H 1 7.919 . . . . . . . A 17 C H6 . 30622 1 235 . 1 . 1 17 17 C H41 H 1 8.198 . . . . . . . A 17 C H41 . 30622 1 236 . 1 . 1 17 17 C H42 H 1 6.691 . . . . . . . A 17 C H42 . 30622 1 237 . 1 . 1 17 17 C C1' C 13 90.025 . . . . . . . A 17 C C1' . 30622 1 238 . 1 . 1 17 17 C C2' C 13 74.745 . . . . . . . A 17 C C2' . 30622 1 239 . 1 . 1 17 17 C C3' C 13 66.973 . . . . . . . A 17 C C3' . 30622 1 240 . 1 . 1 17 17 C C5 C 13 95.728 . . . . . . . A 17 C C5 . 30622 1 241 . 1 . 1 17 17 C C5' C 13 62.801 . . . . . . . A 17 C C5' . 30622 1 242 . 1 . 1 17 17 C C6 C 13 141.263 . . . . . . . A 17 C C6 . 30622 1 243 . 1 . 1 17 17 C HO2' H 1 3.946 . . . . . . . A 17 C HO2' . 30622 1 244 . 1 . 1 18 18 U H1' H 1 5.538 . . . . . . . A 18 U H1' . 30622 1 245 . 1 . 1 18 18 U H3 H 1 13.808 . . . . . . . A 18 U H3 . 30622 1 246 . 1 . 1 18 18 U H3' H 1 4.462 . . . . . . . A 18 U H3' . 30622 1 247 . 1 . 1 18 18 U H4' H 1 4.094 . . . . . . . A 18 U H4' . 30622 1 248 . 1 . 1 18 18 U H5 H 1 5.441 . . . . . . . A 18 U H5 . 30622 1 249 . 1 . 1 18 18 U H6 H 1 7.614 . . . . . . . A 18 U H6 . 30622 1 250 . 1 . 1 18 18 U C1' C 13 91.479 . . . . . . . A 18 U C1' . 30622 1 251 . 1 . 1 18 18 U C2' C 13 72.876 . . . . . . . A 18 U C2' . 30622 1 252 . 1 . 1 18 18 U C3' C 13 69.394 . . . . . . . A 18 U C3' . 30622 1 253 . 1 . 1 18 18 U C4' C 13 80.742 . . . . . . . A 18 U C4' . 30622 1 254 . 1 . 1 18 18 U C5 C 13 95.249 . . . . . . . A 18 U C5 . 30622 1 255 . 1 . 1 18 18 U C6 C 13 139.071 . . . . . . . A 18 U C6 . 30622 1 256 . 1 . 1 18 18 U N3 N 15 162.55 . . . . . . . A 18 U N3 . 30622 1 257 . 1 . 1 18 18 U HO2' H 1 4.161 . . . . . . . A 18 U HO2' . 30622 1 258 . 1 . 1 19 19 C H1' H 1 5.535 . . . . . . . A 19 C H1' . 30622 1 259 . 1 . 1 19 19 C H3' H 1 4.372 . . . . . . . A 19 C H3' . 30622 1 260 . 1 . 1 19 19 C H5 H 1 5.618 . . . . . . . A 19 C H5 . 30622 1 261 . 1 . 1 19 19 C H5' H 1 4.208 . . . . . . . A 19 C H5' . 30622 1 262 . 1 . 1 19 19 C H5'' H 1 4.516 . . . . . . . A 19 C H5'' . 30622 1 263 . 1 . 1 19 19 C H6 H 1 7.877 . . . . . . . A 19 C H6 . 30622 1 264 . 1 . 1 19 19 C H41 H 1 7.747 . . . . . . . A 19 C H41 . 30622 1 265 . 1 . 1 19 19 C H42 H 1 6.763 . . . . . . . A 19 C H42 . 30622 1 266 . 1 . 1 19 19 C C1' C 13 91.08 . . . . . . . A 19 C C1' . 30622 1 267 . 1 . 1 19 19 C C2' C 13 72.664 . . . . . . . A 19 C C2' . 30622 1 268 . 1 . 1 19 19 C C5 C 13 94.451 . . . . . . . A 19 C C5 . 30622 1 269 . 1 . 1 19 19 C C5' C 13 61.707 . . . . . . . A 19 C C5' . 30622 1 270 . 1 . 1 19 19 C C6 C 13 140.623 . . . . . . . A 19 C C6 . 30622 1 271 . 1 . 1 19 19 C HO2' H 1 4.31 . . . . . . . A 19 C HO2' . 30622 1 272 . 1 . 1 20 20 C H1' H 1 5.465 . . . . . . . A 20 C H1' . 30622 1 273 . 1 . 1 20 20 C H3' H 1 4.405 . . . . . . . A 20 C H3' . 30622 1 274 . 1 . 1 20 20 C H5 H 1 5.397 . . . . . . . A 20 C H5 . 30622 1 275 . 1 . 1 20 20 C H6 H 1 7.893 . . . . . . . A 20 C H6 . 30622 1 276 . 1 . 1 20 20 C C1' C 13 91.071 . . . . . . . A 20 C C1' . 30622 1 277 . 1 . 1 20 20 C C2' C 13 72.735 . . . . . . . A 20 C C2' . 30622 1 278 . 1 . 1 20 20 C C5 C 13 100.411 . . . . . . . A 20 C C5 . 30622 1 279 . 1 . 1 20 20 C C6 C 13 139.172 . . . . . . . A 20 C C6 . 30622 1 280 . 1 . 1 20 20 C HO2' H 1 4.471 . . . . . . . A 20 C HO2' . 30622 1 stop_ save_