################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27933 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $N-labeled_sample_cond _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $Imino_chemical_reference _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-13C HSQC aromatic' . . . 27933 1 2 '2D 1H-13C HSQC ribose' . . . 27933 1 5 '3D HCCH-COSY' . . . 27933 1 8 '3D HCCH-TOCSY' . . . 27933 1 11 '3D 1H-13C HSQC-NOESY' . . . 27933 1 14 '2D 1H-1H E/E NOESY' . . . 27933 1 15 '2D 1H-1H F/E NOESY' . . . 27933 1 16 '2D 1H-13C HSQC aromatic' . . . 27933 1 17 '2D 1H-13C HSQC ribose' . . . 27933 1 20 '3D HCCH-COSY' . . . 27933 1 23 '3D HCCH-TOCSY' . . . 27933 1 26 '3D 1H-13C HSQC-NOESY' . . . 27933 1 29 '2D 1H-1H E/E NOESY' . . . 27933 1 30 '2D 1H-1H F/E NOESY' . . . 27933 1 31 '2D 1H-13C HSQC aromatic' . . . 27933 1 32 '2D 1H-13C HSQC ribose' . . . 27933 1 35 '3D HCCH-COSY' . . . 27933 1 38 '3D HCCH-TOCSY' . . . 27933 1 42 '3D HCN aromatic' . . . 27933 1 43 '3D HCN ribose' . . . 27933 1 44 '2D 1H-13C HSQC aromatic' . . . 27933 1 45 '2D 1H-13C HSQC ribose' . . . 27933 1 48 '3D HCCH-COSY' . . . 27933 1 51 '3D HCCH-TOCSY' . . . 27933 1 54 '3D 1H-13C HSQC-NOESY' . . . 27933 1 55 '3D HCN aromatic' . . . 27933 1 56 '3D HCN ribose' . . . 27933 1 57 '2D 1H-1H NOESY' . . . 27933 1 58 '2D 1H-15N HSQC' . . . 27933 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 10.63 0.003 . 1 . . . . . -7 G H1 . 27933 1 2 . 1 . 1 1 1 G H1' H 1 5.527 0.003 . 1 . . . . . -7 G H1' . 27933 1 3 . 1 . 1 1 1 G H2' H 1 4.611 0.003 . 1 . . . . . -7 G H2' . 27933 1 4 . 1 . 1 1 1 G H3' H 1 4.449 0.003 . 1 . . . . . -7 G H3' . 27933 1 5 . 1 . 1 1 1 G H4' H 1 4.490 0.003 . 1 . . . . . -7 G H4' . 27933 1 6 . 1 . 1 1 1 G H8 H 1 7.577 0.003 . 1 . . . . . -7 G H8 . 27933 1 7 . 1 . 1 1 1 G C1' C 13 92.45 0.1 . 1 . . . . . -7 G C1' . 27933 1 8 . 1 . 1 1 1 G C2' C 13 75.29 0.1 . 1 . . . . . -7 G C2' . 27933 1 9 . 1 . 1 1 1 G C3' C 13 72.88 0.1 . 1 . . . . . -7 G C3' . 27933 1 10 . 1 . 1 1 1 G C4' C 13 82.42 0.1 . 1 . . . . . -7 G C4' . 27933 1 11 . 1 . 1 1 1 G C8 C 13 136.50 0.1 . 1 . . . . . -7 G C8 . 27933 1 12 . 1 . 1 1 1 G N1 N 15 144.73 . . 1 . . . . . -7 G N1 . 27933 1 13 . 1 . 1 2 2 C H1' H 1 5.778 0.003 . 1 . . . . . -6 C H1' . 27933 1 14 . 1 . 1 2 2 C H2' H 1 4.721 0.003 . 1 . . . . . -6 C H2' . 27933 1 15 . 1 . 1 2 2 C H3' H 1 4.493 0.003 . 1 . . . . . -6 C H3' . 27933 1 16 . 1 . 1 2 2 C H4' H 1 4.490 0.003 . 1 . . . . . -6 C H4' . 27933 1 17 . 1 . 1 2 2 C H5 H 1 5.383 0.003 . 1 . . . . . -6 C H5 . 27933 1 18 . 1 . 1 2 2 C H6 H 1 7.778 0.003 . 1 . . . . . -6 C H6 . 27933 1 19 . 1 . 1 2 2 C C1' C 13 93.49 0.1 . 1 . . . . . -6 C C1' . 27933 1 20 . 1 . 1 2 2 C C2' C 13 75.76 0.1 . 1 . . . . . -6 C C2' . 27933 1 21 . 1 . 1 2 2 C C3' C 13 73.39 0.1 . 1 . . . . . -6 C C3' . 27933 1 22 . 1 . 1 2 2 C C4' C 13 82.42 0.1 . 1 . . . . . -6 C C4' . 27933 1 23 . 1 . 1 2 2 C C5 C 13 97.77 0.1 . 1 . . . . . -6 C C5 . 27933 1 24 . 1 . 1 2 2 C C6 C 13 141.90 0.1 . 1 . . . . . -6 C C6 . 27933 1 25 . 1 . 1 2 2 C N1 N 15 151.10 . . 1 . . . . . -6 C N1 . 27933 1 26 . 1 . 1 3 3 G H1 H 1 11.17 0.003 . 1 . . . . . -5 G H1 . 27933 1 27 . 1 . 1 3 3 G H1' H 1 5.761 0.003 . 1 . . . . . -5 G H1' . 27933 1 28 . 1 . 1 3 3 G H2' H 1 4.641 0.003 . 1 . . . . . -5 G H2' . 27933 1 29 . 1 . 1 3 3 G H3' H 1 4.231 0.003 . 1 . . . . . -5 G H3' . 27933 1 30 . 1 . 1 3 3 G H4' H 1 4.513 0.003 . 1 . . . . . -5 G H4' . 27933 1 31 . 1 . 1 3 3 G H8 H 1 7.563 0.003 . 1 . . . . . -5 G H8 . 27933 1 32 . 1 . 1 3 3 G C1' C 13 93.70 0.1 . 1 . . . . . -5 G C1' . 27933 1 33 . 1 . 1 3 3 G C2' C 13 75.18 0.1 . 1 . . . . . -5 G C2' . 27933 1 34 . 1 . 1 3 3 G C3' C 13 73.72 0.1 . 1 . . . . . -5 G C3' . 27933 1 35 . 1 . 1 3 3 G C4' C 13 82.54 0.1 . 1 . . . . . -5 G C4' . 27933 1 36 . 1 . 1 3 3 G C8 C 13 137.20 0.1 . 1 . . . . . -5 G C8 . 27933 1 37 . 1 . 1 3 3 G N1 N 15 148.08 . . 1 . . . . . -5 G N1 . 27933 1 38 . 1 . 1 4 4 U H1' H 1 5.460 0.003 . 1 . . . . . -4 U H1' . 27933 1 39 . 1 . 1 4 4 U H2' H 1 4.503 0.003 . 1 . . . . . -4 U H2' . 27933 1 40 . 1 . 1 4 4 U H3 H 1 13.72 0.003 . 1 . . . . . -4 U H3 . 27933 1 41 . 1 . 1 4 4 U H3' H 1 4.553 0.003 . 1 . . . . . -4 U H3' . 27933 1 42 . 1 . 1 4 4 U H4' H 1 4.416 0.003 . 1 . . . . . -4 U H4' . 27933 1 43 . 1 . 1 4 4 U H5 H 1 5.174 0.003 . 1 . . . . . -4 U H5 . 27933 1 44 . 1 . 1 4 4 U H6 H 1 7.638 0.003 . 1 . . . . . -4 U H6 . 27933 1 45 . 1 . 1 4 4 U C1' C 13 93.61 0.1 . 1 . . . . . -4 U C1' . 27933 1 46 . 1 . 1 4 4 U C2' C 13 75.35 0.1 . 1 . . . . . -4 U C2' . 27933 1 47 . 1 . 1 4 4 U C3' C 13 72.15 0.1 . 1 . . . . . -4 U C3' . 27933 1 48 . 1 . 1 4 4 U C4' C 13 82.10 0.1 . 1 . . . . . -4 U C4' . 27933 1 49 . 1 . 1 4 4 U C5 C 13 103.70 0.1 . 1 . . . . . -4 U C5 . 27933 1 50 . 1 . 1 4 4 U C6 C 13 140.50 0.1 . 1 . . . . . -4 U C6 . 27933 1 51 . 1 . 1 4 4 U N1 N 15 145.70 . . 1 . . . . . -4 U N1 . 27933 1 52 . 1 . 1 4 4 U N3 N 15 154.72 . . 1 . . . . . -4 U N3 . 27933 1 53 . 1 . 1 5 5 G H1 H 1 12.40 0.003 . 1 . . . . . -3 G H1 . 27933 1 54 . 1 . 1 5 5 G H1' H 1 5.733 0.003 . 1 . . . . . -3 G H1' . 27933 1 55 . 1 . 1 5 5 G H2' H 1 4.481 0.003 . 1 . . . . . -3 G H2' . 27933 1 56 . 1 . 1 5 5 G H8 H 1 7.634 0.003 . 1 . . . . . -3 G H8 . 27933 1 57 . 1 . 1 5 5 G C1' C 13 92.85 0.1 . 1 . . . . . -3 G C1' . 27933 1 58 . 1 . 1 5 5 G C2' C 13 75.07 0.1 . 1 . . . . . -3 G C2' . 27933 1 59 . 1 . 1 5 5 G C8 C 13 136.00 0.1 . 1 . . . . . -3 G C8 . 27933 1 60 . 1 . 1 5 5 G N1 N 15 145.06 . . 1 . . . . . -3 G N1 . 27933 1 61 . 1 . 1 6 6 C H1' H 1 5.389 0.003 . 1 . . . . . -2 C H1' . 27933 1 62 . 1 . 1 6 6 C H2' H 1 4.295 0.003 . 1 . . . . . -2 C H2' . 27933 1 63 . 1 . 1 6 6 C H3' H 1 4.394 0.003 . 1 . . . . . -2 C H3' . 27933 1 64 . 1 . 1 6 6 C H4' H 1 4.354 0.003 . 1 . . . . . -2 C H4' . 27933 1 65 . 1 . 1 6 6 C H5 H 1 5.083 0.003 . 1 . . . . . -2 C H5 . 27933 1 66 . 1 . 1 6 6 C H6 H 1 7.405 0.003 . 1 . . . . . -2 C H6 . 27933 1 67 . 1 . 1 6 6 C C1' C 13 93.84 0.1 . 1 . . . . . -2 C C1' . 27933 1 68 . 1 . 1 6 6 C C2' C 13 75.44 0.1 . 1 . . . . . -2 C C2' . 27933 1 69 . 1 . 1 6 6 C C3' C 13 72.64 0.1 . 1 . . . . . -2 C C3' . 27933 1 70 . 1 . 1 6 6 C C4' C 13 82.23 0.1 . 1 . . . . . -2 C C4' . 27933 1 71 . 1 . 1 6 6 C C5 C 13 97.31 0.1 . 1 . . . . . -2 C C5 . 27933 1 72 . 1 . 1 6 6 C C6 C 13 140.60 0.1 . 1 . . . . . -2 C C6 . 27933 1 73 . 1 . 1 6 6 C N1 N 15 150.30 . . 1 . . . . . -2 C N1 . 27933 1 74 . 1 . 1 7 7 A H1' H 1 5.88 0.003 . 1 . . . . . -1 A H1' . 27933 1 75 . 1 . 1 7 7 A H2' H 1 4.67 0.003 . 1 . . . . . -1 A H2' . 27933 1 76 . 1 . 1 7 7 A H8 H 1 8.035 0.003 . 1 . . . . . -1 A H8 . 27933 1 77 . 1 . 1 7 7 A C1' C 13 92.98 0.1 . 1 . . . . . -1 A C1' . 27933 1 78 . 1 . 1 7 7 A C2' C 13 73.81 0.1 . 1 . . . . . -1 A C2' . 27933 1 79 . 1 . 1 7 7 A C8 C 13 139.0 0.1 . 1 . . . . . -1 A C8 . 27933 1 80 . 1 . 1 8 8 G H1' H 1 5.405 0.003 . 1 . . . . . +1 G H1' . 27933 1 81 . 1 . 1 8 8 G H2' H 1 4.485 0.003 . 1 . . . . . +1 G H2' . 27933 1 82 . 1 . 1 8 8 G H8 H 1 7.643 0.003 . 1 . . . . . +1 G H8 . 27933 1 83 . 1 . 1 8 8 G C1' C 13 92.85 0.1 . 1 . . . . . +1 G C1' . 27933 1 84 . 1 . 1 8 8 G C2' C 13 75.30 0.1 . 1 . . . . . +1 G C2' . 27933 1 85 . 1 . 1 8 8 G C8 C 13 138.40 0.1 . 1 . . . . . +1 G C8 . 27933 1 86 . 1 . 1 9 9 U H1' H 1 5.531 0.003 . 1 . . . . . +2 U H1' . 27933 1 87 . 1 . 1 9 9 U H2' H 1 4.604 0.003 . 1 . . . . . +2 U H2' . 27933 1 88 . 1 . 1 9 9 U H3 H 1 10.92 0.003 . 1 . . . . . +2 U H3 . 27933 1 89 . 1 . 1 9 9 U H4' H 1 4.337 0.003 . 1 . . . . . +2 U H4' . 27933 1 90 . 1 . 1 9 9 U H5 H 1 5.543 0.003 . 1 . . . . . +2 U H5 . 27933 1 91 . 1 . 1 9 9 U H6 H 1 7.766 0.003 . 1 . . . . . +2 U H6 . 27933 1 92 . 1 . 1 9 9 U C1' C 13 93.66 0.1 . 1 . . . . . +2 U C1' . 27933 1 93 . 1 . 1 9 9 U C2' C 13 75.25 0.1 . 1 . . . . . +2 U C2' . 27933 1 94 . 1 . 1 9 9 U C4' C 13 83.87 0.1 . 1 . . . . . +2 U C4' . 27933 1 95 . 1 . 1 9 9 U C5 C 13 104.50 0.1 . 1 . . . . . +2 U C5 . 27933 1 96 . 1 . 1 9 9 U C6 C 13 141.00 0.1 . 1 . . . . . +2 U C6 . 27933 1 97 . 1 . 1 9 9 U N3 N 15 159.20 . . 1 . . . . . +2 U N3 . 27933 1 98 . 1 . 1 10 10 C H1' H 1 5.718 0.003 . 1 . . . . . +3 C H1' . 27933 1 99 . 1 . 1 10 10 C H2' H 1 4.294 0.003 . 1 . . . . . +3 C H2' . 27933 1 100 . 1 . 1 10 10 C H3' H 1 4.573 0.003 . 1 . . . . . +3 C H3' . 27933 1 101 . 1 . 1 10 10 C H4' H 1 4.426 0.003 . 1 . . . . . +3 C H4' . 27933 1 102 . 1 . 1 10 10 C H5 H 1 5.903 0.003 . 1 . . . . . +3 C H5 . 27933 1 103 . 1 . 1 10 10 C H6 H 1 7.961 0.003 . 1 . . . . . +3 C H6 . 27933 1 104 . 1 . 1 10 10 C C1' C 13 93.38 0.1 . 1 . . . . . +3 C C1' . 27933 1 105 . 1 . 1 10 10 C C2' C 13 75.87 0.1 . 1 . . . . . +3 C C2' . 27933 1 106 . 1 . 1 10 10 C C3' C 13 73.41 0.1 . 1 . . . . . +3 C C3' . 27933 1 107 . 1 . 1 10 10 C C4' C 13 82.65 0.1 . 1 . . . . . +3 C C4' . 27933 1 108 . 1 . 1 10 10 C C5 C 13 98.46 0.1 . 1 . . . . . +3 C C5 . 27933 1 109 . 1 . 1 10 10 C C6 C 13 142.50 0.1 . 1 . . . . . +3 C C6 . 27933 1 110 . 1 . 1 10 10 C N1 N 15 152.40 . . 1 . . . . . +3 C N1 . 27933 1 111 . 1 . 1 11 11 C H1' H 1 5.486 0.003 . 1 . . . . . +4 C H1' . 27933 1 112 . 1 . 1 11 11 C H2' H 1 4.306 0.003 . 1 . . . . . +4 C H2' . 27933 1 113 . 1 . 1 11 11 C H3' H 1 4.449 0.003 . 1 . . . . . +4 C H3' . 27933 1 114 . 1 . 1 11 11 C H4' H 1 4.446 0.003 . 1 . . . . . +4 C H4' . 27933 1 115 . 1 . 1 11 11 C H5 H 1 5.737 0.003 . 1 . . . . . +4 C H5 . 27933 1 116 . 1 . 1 11 11 C H6 H 1 7.827 0.003 . 1 . . . . . +4 C H6 . 27933 1 117 . 1 . 1 11 11 C C1' C 13 94.12 0.1 . 1 . . . . . +4 C C1' . 27933 1 118 . 1 . 1 11 11 C C2' C 13 75.29 0.1 . 1 . . . . . +4 C C2' . 27933 1 119 . 1 . 1 11 11 C C3' C 13 72.88 0.1 . 1 . . . . . +4 C C3' . 27933 1 120 . 1 . 1 11 11 C C4' C 13 82.28 0.1 . 1 . . . . . +4 C C4' . 27933 1 121 . 1 . 1 11 11 C C5 C 13 98.27 0.1 . 1 . . . . . +4 C C5 . 27933 1 122 . 1 . 1 11 11 C C6 C 13 142.00 0.1 . 1 . . . . . +4 C C6 . 27933 1 123 . 1 . 1 12 12 U H1' H 1 5.444 0.003 . 1 . . . . . +5 U H1' . 27933 1 124 . 1 . 1 12 12 U H2' H 1 4.373 0.003 . 1 . . . . . +5 U H2' . 27933 1 125 . 1 . 1 12 12 U H3 H 1 13.97 0.003 . 1 . . . . . +5 U H3 . 27933 1 126 . 1 . 1 12 12 U H3' H 1 4.543 0.003 . 1 . . . . . +5 U H3' . 27933 1 127 . 1 . 1 12 12 U H5 H 1 5.418 0.003 . 1 . . . . . +5 U H5 . 27933 1 128 . 1 . 1 12 12 U H6 H 1 7.927 0.003 . 1 . . . . . +5 U H6 . 27933 1 129 . 1 . 1 12 12 U C1' C 13 93.70 0.1 . 1 . . . . . +5 U C1' . 27933 1 130 . 1 . 1 12 12 U C2' C 13 75.27 0.1 . 1 . . . . . +5 U C2' . 27933 1 131 . 1 . 1 12 12 U C3' C 13 72.09 0.1 . 1 . . . . . +5 U C3' . 27933 1 132 . 1 . 1 12 12 U C4' C 13 82.11 0.1 . 1 . . . . . +5 U C4' . 27933 1 133 . 1 . 1 12 12 U C5 C 13 103.20 0.1 . 1 . . . . . +5 U C5 . 27933 1 134 . 1 . 1 12 12 U C6 C 13 142.40 0.1 . 1 . . . . . +5 U C6 . 27933 1 135 . 1 . 1 12 12 U N1 N 15 146.70 . . 1 . . . . . +5 U N1 . 27933 1 136 . 1 . 1 12 12 U N3 N 15 154.65 . . 1 . . . . . +5 U N3 . 27933 1 137 . 1 . 1 13 13 C H1' H 1 5.54 0.003 . 1 . . . . . +6 C H1' . 27933 1 138 . 1 . 1 13 13 C H2' H 1 4.38 0.003 . 1 . . . . . +6 C H2' . 27933 1 139 . 1 . 1 13 13 C H3' H 1 4.415 0.003 . 1 . . . . . +6 C H3' . 27933 1 140 . 1 . 1 13 13 C H4' H 1 4.392 0.003 . 1 . . . . . +6 C H4' . 27933 1 141 . 1 . 1 13 13 C H5 H 1 5.50 0.003 . 1 . . . . . +6 C H5 . 27933 1 142 . 1 . 1 13 13 C H6 H 1 7.627 0.003 . 1 . . . . . +6 C H6 . 27933 1 143 . 1 . 1 13 13 C C1' C 13 93.87 0.1 . 1 . . . . . +6 C C1' . 27933 1 144 . 1 . 1 13 13 C C2' C 13 75.75 0.1 . 1 . . . . . +6 C C2' . 27933 1 145 . 1 . 1 13 13 C C3' C 13 72.09 0.1 . 1 . . . . . +6 C C3' . 27933 1 146 . 1 . 1 13 13 C C4' C 13 81.83 0.1 . 1 . . . . . +6 C C4' . 27933 1 147 . 1 . 1 13 13 C C5 C 13 97.71 0.1 . 1 . . . . . +6 C C5 . 27933 1 148 . 1 . 1 13 13 C C6 C 13 140.70 0.1 . 1 . . . . . +6 C C6 . 27933 1 149 . 1 . 1 13 13 C N1 N 15 150.90 . . 1 . . . . . +6 C N1 . 27933 1 150 . 1 . 1 14 14 G H1 H 1 10.63 0.003 . 1 . . . . . +7 G H1 . 27933 1 151 . 1 . 1 14 14 G H1' H 1 5.527 0.003 . 1 . . . . . +7 G H1' . 27933 1 152 . 1 . 1 14 14 G H2' H 1 4.611 0.003 . 1 . . . . . +7 G H2' . 27933 1 153 . 1 . 1 14 14 G H3' H 1 4.449 0.003 . 1 . . . . . +7 G H3' . 27933 1 154 . 1 . 1 14 14 G H4' H 1 4.490 0.003 . 1 . . . . . +7 G H4' . 27933 1 155 . 1 . 1 14 14 G H8 H 1 7.577 0.003 . 1 . . . . . +7 G H8 . 27933 1 156 . 1 . 1 14 14 G C1' C 13 92.45 0.1 . 1 . . . . . +7 G C1' . 27933 1 157 . 1 . 1 14 14 G C2' C 13 75.29 0.1 . 1 . . . . . +7 G C2' . 27933 1 158 . 1 . 1 14 14 G C3' C 13 72.88 0.1 . 1 . . . . . +7 G C3' . 27933 1 159 . 1 . 1 14 14 G C4' C 13 82.42 0.1 . 1 . . . . . +7 G C4' . 27933 1 160 . 1 . 1 14 14 G C8 C 13 136.50 0.1 . 1 . . . . . +7 G C8 . 27933 1 161 . 1 . 1 15 15 A H1' H 1 5.711 0.003 . 1 . . . . . 1 A H1' . 27933 1 162 . 1 . 1 15 15 A H2' H 1 4.745 0.003 . 1 . . . . . 1 A H2' . 27933 1 163 . 1 . 1 15 15 A H3' H 1 4.468 0.003 . 1 . . . . . 1 A H3' . 27933 1 164 . 1 . 1 15 15 A H4' H 1 4.211 0.003 . 1 . . . . . 1 A H4' . 27933 1 165 . 1 . 1 15 15 A H8 H 1 8.37 0.003 . 1 . . . . . 1 A H8 . 27933 1 166 . 1 . 1 15 15 A C1' C 13 92.09 0.1 . 1 . . . . . 1 A C1' . 27933 1 167 . 1 . 1 15 15 A C2' C 13 76.96 0.1 . 1 . . . . . 1 A C2' . 27933 1 168 . 1 . 1 15 15 A C3' C 13 74.77 0.1 . 1 . . . . . 1 A C3' . 27933 1 169 . 1 . 1 15 15 A C4' C 13 84.80 0.1 . 1 . . . . . 1 A C4' . 27933 1 170 . 1 . 1 15 15 A C8 C 13 141.30 0.1 . 1 . . . . . 1 A C8 . 27933 1 171 . 1 . 1 16 16 A H1' H 1 5.423 0.003 . 1 . . . . . 2 A H1' . 27933 1 172 . 1 . 1 16 16 A H2 H 1 7.80 0.003 . 1 . . . . . 2 A H2 . 27933 1 173 . 1 . 1 16 16 A H2' H 1 4.31 0.003 . 1 . . . . . 2 A H2' . 27933 1 174 . 1 . 1 16 16 A H8 H 1 7.899 0.003 . 1 . . . . . 2 A H8 . 27933 1 175 . 1 . 1 16 16 A C1' C 13 92.84 0.1 . 1 . . . . . 2 A C1' . 27933 1 176 . 1 . 1 16 16 A C2 C 13 153.30 0.1 . 1 . . . . . 2 A C2 . 27933 1 177 . 1 . 1 16 16 A C2' C 13 77.72 0.1 . 1 . . . . . 2 A C2' . 27933 1 178 . 1 . 1 16 16 A C8 C 13 139.50 0.1 . 1 . . . . . 2 A C8 . 27933 1 179 . 1 . 1 17 17 A H1' H 1 6.014 0.003 . 1 . . . . . 3 A H1' . 27933 1 180 . 1 . 1 17 17 A H2 H 1 7.835 0.003 . 1 . . . . . 3 A H2 . 27933 1 181 . 1 . 1 17 17 A H2' H 1 4.630 0.003 . 1 . . . . . 3 A H2' . 27933 1 182 . 1 . 1 17 17 A H4' H 1 4.462 0.003 . 1 . . . . . 3 A H4' . 27933 1 183 . 1 . 1 17 17 A H8 H 1 8.171 0.003 . 1 . . . . . 3 A H8 . 27933 1 184 . 1 . 1 17 17 A C1' C 13 93.24 0.1 . 1 . . . . . 3 A C1' . 27933 1 185 . 1 . 1 17 17 A C2 C 13 153.302 0.1 . 1 . . . . . 3 A C2 . 27933 1 186 . 1 . 1 17 17 A C2' C 13 77.79 0.1 . 1 . . . . . 3 A C2' . 27933 1 187 . 1 . 1 17 17 A C4' C 13 83.91 0.1 . 1 . . . . . 3 A C4' . 27933 1 188 . 1 . 1 17 17 A C8 C 13 140.404 0.1 . 1 . . . . . 3 A C8 . 27933 1 189 . 1 . 1 18 18 G H1 H 1 12.05 0.003 . 1 . . . . . 4 G H1 . 27933 1 190 . 1 . 1 18 18 G H1' H 1 3.713 0.003 . 1 . . . . . 4 G H1' . 27933 1 191 . 1 . 1 18 18 G H2' H 1 4.349 0.003 . 1 . . . . . 4 G H2' . 27933 1 192 . 1 . 1 18 18 G H3' H 1 4.183 0.003 . 1 . . . . . 4 G H3' . 27933 1 193 . 1 . 1 18 18 G H4' H 1 4.259 0.003 . 1 . . . . . 4 G H4' . 27933 1 194 . 1 . 1 18 18 G H8 H 1 7.738 0.003 . 1 . . . . . 4 G H8 . 27933 1 195 . 1 . 1 18 18 G C1' C 13 92.64 0.1 . 1 . . . . . 4 G C1' . 27933 1 196 . 1 . 1 18 18 G C2' C 13 74.79 0.1 . 1 . . . . . 4 G C2' . 27933 1 197 . 1 . 1 18 18 G C3' C 13 74.23 0.1 . 1 . . . . . 4 G C3' . 27933 1 198 . 1 . 1 18 18 G C4' C 13 82.77 0.1 . 1 . . . . . 4 G C4' . 27933 1 199 . 1 . 1 18 18 G C8 C 13 137.30 0.1 . 1 . . . . . 4 G C8 . 27933 1 200 . 1 . 1 18 18 G N1 N 15 145.78 . . 1 . . . . . 4 G N1 . 27933 1 201 . 1 . 1 19 19 A H1' H 1 5.897 0.003 . 1 . . . . . 5 A H1' . 27933 1 202 . 1 . 1 19 19 A H2 H 1 7.341 0.003 . 1 . . . . . 5 A H2 . 27933 1 203 . 1 . 1 19 19 A H2' H 1 4.575 0.003 . 1 . . . . . 5 A H2' . 27933 1 204 . 1 . 1 19 19 A H3' H 1 4.577 0.003 . 1 . . . . . 5 A H3' . 27933 1 205 . 1 . 1 19 19 A H4' H 1 4.420 0.003 . 1 . . . . . 5 A H4' . 27933 1 206 . 1 . 1 19 19 A H8 H 1 7.608 0.003 . 1 . . . . . 5 A H8 . 27933 1 207 . 1 . 1 19 19 A C1' C 13 93.97 0.1 . 1 . . . . . 5 A C1' . 27933 1 208 . 1 . 1 19 19 A C2 C 13 152.10 0.1 . 1 . . . . . 5 A C2 . 27933 1 209 . 1 . 1 19 19 A C2' C 13 76.88 0.1 . 1 . . . . . 5 A C2' . 27933 1 210 . 1 . 1 19 19 A C3' C 13 75.53 0.1 . 1 . . . . . 5 A C3' . 27933 1 211 . 1 . 1 19 19 A C4' C 13 84.89 0.1 . 1 . . . . . 5 A C4' . 27933 1 212 . 1 . 1 19 19 A C8 C 13 138.20 0.1 . 1 . . . . . 5 A C8 . 27933 1 213 . 1 . 1 20 20 G H1 H 1 12.96 0.003 . 1 . . . . . 6 G H1 . 27933 1 214 . 1 . 1 20 20 G H1' H 1 5.537 0.003 . 1 . . . . . 6 G H1' . 27933 1 215 . 1 . 1 20 20 G H2' H 1 4.410 0.003 . 1 . . . . . 6 G H2' . 27933 1 216 . 1 . 1 20 20 G H8 H 1 7.046 0.003 . 1 . . . . . 6 G H8 . 27933 1 217 . 1 . 1 20 20 G C1' C 13 92.11 0.1 . 1 . . . . . 6 G C1' . 27933 1 218 . 1 . 1 20 20 G C2' C 13 76.05 0.1 . 1 . . . . . 6 G C2' . 27933 1 219 . 1 . 1 20 20 G C8 C 13 136.10 0.1 . 1 . . . . . 6 G C8 . 27933 1 220 . 1 . 1 20 20 G N1 N 15 144.73 . . 1 . . . . . 6 G N1 . 27933 1 221 . 1 . 1 21 21 A H1' H 1 5.841 0.003 . 1 . . . . . 7 A H1' . 27933 1 222 . 1 . 1 21 21 A H2' H 1 4.437 0.003 . 1 . . . . . 7 A H2' . 27933 1 223 . 1 . 1 21 21 A H8 H 1 7.805 0.003 . 1 . . . . . 7 A H8 . 27933 1 224 . 1 . 1 21 21 A C1' C 13 94.21 0.1 . 1 . . . . . 7 A C1' . 27933 1 225 . 1 . 1 21 21 A C2' C 13 76.90 0.1 . 1 . . . . . 7 A C2' . 27933 1 226 . 1 . 1 21 21 A C8 C 13 139.80 0.1 . 1 . . . . . 7 A C8 . 27933 1 227 . 1 . 1 22 22 G H1' H 1 5.318 0.003 . 1 . . . . . 8 G H1' . 27933 1 228 . 1 . 1 22 22 G H2' H 1 4.358 0.003 . 1 . . . . . 8 G H2' . 27933 1 229 . 1 . 1 22 22 G H8 H 1 7.239 0.003 . 1 . . . . . 8 G H8 . 27933 1 230 . 1 . 1 22 22 G C1' C 13 91.44 0.1 . 1 . . . . . 8 G C1' . 27933 1 231 . 1 . 1 22 22 G C2' C 13 75.93 0.1 . 1 . . . . . 8 G C2' . 27933 1 232 . 1 . 1 22 22 G C8 C 13 137.30 0.1 . 1 . . . . . 8 G C8 . 27933 1 233 . 1 . 1 23 23 A H1' H 1 5.841 0.003 . 1 . . . . . 9 A H1' . 27933 1 234 . 1 . 1 23 23 A H2' H 1 4.548 0.003 . 1 . . . . . 9 A H2' . 27933 1 235 . 1 . 1 23 23 A H3' H 1 4.441 0.003 . 1 . . . . . 9 A H3' . 27933 1 236 . 1 . 1 23 23 A H4' H 1 4.558 0.003 . 1 . . . . . 9 A H4' . 27933 1 237 . 1 . 1 23 23 A H8 H 1 7.791 0.003 . 1 . . . . . 9 A H8 . 27933 1 238 . 1 . 1 23 23 A C1' C 13 92.79 0.1 . 1 . . . . . 9 A C1' . 27933 1 239 . 1 . 1 23 23 A C2' C 13 74.75 0.1 . 1 . . . . . 9 A C2' . 27933 1 240 . 1 . 1 23 23 A C3' C 13 76.90 0.1 . 1 . . . . . 9 A C3' . 27933 1 241 . 1 . 1 23 23 A C4' C 13 84.08 0.1 . 1 . . . . . 9 A C4' . 27933 1 242 . 1 . 1 23 23 A C8 C 13 138.80 0.1 . 1 . . . . . 9 A C8 . 27933 1 243 . 1 . 1 24 24 A H1' H 1 5.909 0.003 . 1 . . . . . 10 A H1' . 27933 1 244 . 1 . 1 24 24 A H8 H 1 7.965 0.003 . 1 . . . . . 10 A H8 . 27933 1 245 . 1 . 1 24 24 A C1' C 13 93.37 0.1 . 1 . . . . . 10 A C1' . 27933 1 246 . 1 . 1 24 24 A C8 C 13 139.50 0.1 . 1 . . . . . 10 A C8 . 27933 1 247 . 1 . 1 25 25 G H1 H 1 13.29 0.003 . 1 . . . . . 11 G H1 . 27933 1 248 . 1 . 1 25 25 G H1' H 1 5.357 0.003 . 1 . . . . . 11 G H1' . 27933 1 249 . 1 . 1 25 25 G H2' H 1 4.477 0.003 . 1 . . . . . 11 G H2' . 27933 1 250 . 1 . 1 25 25 G H8 H 1 7.394 0.003 . 1 . . . . . 11 G H8 . 27933 1 251 . 1 . 1 25 25 G C1' C 13 92.63 0.1 . 1 . . . . . 11 G C1' . 27933 1 252 . 1 . 1 25 25 G C2' C 13 74.86 0.1 . 1 . . . . . 11 G C2' . 27933 1 253 . 1 . 1 25 25 G C8 C 13 136.60 0.1 . 1 . . . . . 11 G C8 . 27933 1 254 . 1 . 1 25 25 G N1 N 15 143.48 . . 1 . . . . . 11 G N1 . 27933 1 255 . 1 . 1 26 26 C H1' H 1 5.446 0.003 . 1 . . . . . 12 C H1' . 27933 1 256 . 1 . 1 26 26 C H2' H 1 4.569 0.003 . 1 . . . . . 12 C H2' . 27933 1 257 . 1 . 1 26 26 C H3' H 1 4.499 0.003 . 1 . . . . . 12 C H3' . 27933 1 258 . 1 . 1 26 26 C H4' H 1 4.364 0.003 . 1 . . . . . 12 C H4' . 27933 1 259 . 1 . 1 26 26 C H5 H 1 5.180 0.003 . 1 . . . . . 12 C H5 . 27933 1 260 . 1 . 1 26 26 C H6 H 1 7.670 0.003 . 1 . . . . . 12 C H6 . 27933 1 261 . 1 . 1 26 26 C C1' C 13 93.71 0.1 . 1 . . . . . 12 C C1' . 27933 1 262 . 1 . 1 26 26 C C2' C 13 75.27 0.1 . 1 . . . . . 12 C C2' . 27933 1 263 . 1 . 1 26 26 C C3' C 13 72.21 0.1 . 1 . . . . . 12 C C3' . 27933 1 264 . 1 . 1 26 26 C C4' C 13 83.41 0.1 . 1 . . . . . 12 C C4' . 27933 1 265 . 1 . 1 26 26 C C5 C 13 97.30 0.1 . 1 . . . . . 12 C C5 . 27933 1 266 . 1 . 1 26 26 C C6 C 13 140.90 0.1 . 1 . . . . . 12 C C6 . 27933 1 267 . 1 . 1 26 26 C N1 N 15 150.80 . . 1 . . . . . 12 C N1 . 27933 1 268 . 1 . 1 27 27 A H1' H 1 5.917 0.003 . 1 . . . . . 13 A H1' . 27933 1 269 . 1 . 1 27 27 A H2 H 1 7.325 0.003 . 1 . . . . . 13 A H2 . 27933 1 270 . 1 . 1 27 27 A H2' H 1 4.701 0.003 . 1 . . . . . 13 A H2' . 27933 1 271 . 1 . 1 27 27 A H3' H 1 4.478 0.003 . 1 . . . . . 13 A H3' . 27933 1 272 . 1 . 1 27 27 A H4' H 1 4.485 0.003 . 1 . . . . . 13 A H4' . 27933 1 273 . 1 . 1 27 27 A H8 H 1 7.871 0.003 . 1 . . . . . 13 A H8 . 27933 1 274 . 1 . 1 27 27 A C1' C 13 94.33 0.1 . 1 . . . . . 13 A C1' . 27933 1 275 . 1 . 1 27 27 A C2 C 13 152.20 0.1 . 1 . . . . . 13 A C2 . 27933 1 276 . 1 . 1 27 27 A C2' C 13 76.80 0.1 . 1 . . . . . 13 A C2' . 27933 1 277 . 1 . 1 27 27 A C3' C 13 73.79 0.1 . 1 . . . . . 13 A C3' . 27933 1 278 . 1 . 1 27 27 A C4' C 13 83.03 0.1 . 1 . . . . . 13 A C4' . 27933 1 279 . 1 . 1 27 27 A C8 C 13 138.20 0.1 . 1 . . . . . 13 A C8 . 27933 1 280 . 1 . 1 28 28 U H1' H 1 5.30 0.003 . 1 . . . . . 14 U H1' . 27933 1 281 . 1 . 1 28 28 U H2' H 1 4.188 0.003 . 1 . . . . . 14 U H2' . 27933 1 282 . 1 . 1 28 28 U H3 H 1 11.51 0.003 . 1 . . . . . 14 U H3 . 27933 1 283 . 1 . 1 28 28 U H3' H 1 4.502 0.003 . 1 . . . . . 14 U H3' . 27933 1 284 . 1 . 1 28 28 U H4' H 1 4.406 0.003 . 1 . . . . . 14 U H4' . 27933 1 285 . 1 . 1 28 28 U H5 H 1 5.356 0.003 . 1 . . . . . 14 U H5 . 27933 1 286 . 1 . 1 28 28 U H6 H 1 7.464 0.003 . 1 . . . . . 14 U H6 . 27933 1 287 . 1 . 1 28 28 U C1' C 13 92.89 0.1 . 1 . . . . . 14 U C1' . 27933 1 288 . 1 . 1 28 28 U C2' C 13 75.74 0.1 . 1 . . . . . 14 U C2' . 27933 1 289 . 1 . 1 28 28 U C3' C 13 73.21 0.1 . 1 . . . . . 14 U C3' . 27933 1 290 . 1 . 1 28 28 U C4' C 13 82.64 0.1 . 1 . . . . . 14 U C4' . 27933 1 291 . 1 . 1 28 28 U C5 C 13 104.40 0.1 . 1 . . . . . 14 U C5 . 27933 1 292 . 1 . 1 28 28 U C6 C 13 140.10 0.1 . 1 . . . . . 14 U C6 . 27933 1 293 . 1 . 1 28 28 U N1 N 15 144.50 . . 1 . . . . . 14 U N1 . 27933 1 294 . 1 . 1 28 28 U N3 N 15 159.20 . . 1 . . . . . 14 U N3 . 27933 1 295 . 1 . 1 29 29 G H1 H 1 12.96 0.003 . 1 . . . . . 15 G H1 . 27933 1 296 . 1 . 1 29 29 G H1' H 1 5.727 0.003 . 1 . . . . . 15 G H1' . 27933 1 297 . 1 . 1 29 29 G H2' H 1 4.392 0.003 . 1 . . . . . 15 G H2' . 27933 1 298 . 1 . 1 29 29 G H3' H 1 4.637 0.003 . 1 . . . . . 15 G H3' . 27933 1 299 . 1 . 1 29 29 G H4' H 1 4.392 0.003 . 1 . . . . . 15 G H4' . 27933 1 300 . 1 . 1 29 29 G H8 H 1 7.974 0.003 . 1 . . . . . 15 G H8 . 27933 1 301 . 1 . 1 29 29 G C1' C 13 92.65 0.1 . 1 . . . . . 15 G C1' . 27933 1 302 . 1 . 1 29 29 G C2' C 13 75.43 0.1 . 1 . . . . . 15 G C2' . 27933 1 303 . 1 . 1 29 29 G C3' C 13 72.49 0.1 . 1 . . . . . 15 G C3' . 27933 1 304 . 1 . 1 29 29 G C4' C 13 82.36 0.1 . 1 . . . . . 15 G C4' . 27933 1 305 . 1 . 1 29 29 G C8 C 13 137.60 0.1 . 1 . . . . . 15 G C8 . 27933 1 306 . 1 . 1 29 29 G N1 N 15 144.80 . . 1 . . . . . 15 G N1 . 27933 1 307 . 1 . 1 30 30 C H1' H 1 5.775 0.1 . 1 . . . . . 16 C H1' . 27933 1 308 . 1 . 1 30 30 C H2' H 1 3.971 0.1 . 1 . . . . . 16 C H2' . 27933 1 309 . 1 . 1 30 30 C H3' H 1 4.156 0.1 . 1 . . . . . 16 C H3' . 27933 1 310 . 1 . 1 30 30 C H4' H 1 4.157 0.1 . 1 . . . . . 16 C H4' . 27933 1 311 . 1 . 1 30 30 C H5 H 1 5.355 0.1 . 1 . . . . . 16 C H5 . 27933 1 312 . 1 . 1 30 30 C H6 H 1 7.526 0.1 . 1 . . . . . 16 C H6 . 27933 1 313 . 1 . 1 30 30 C C1' C 13 92.73 0.1 . 1 . . . . . 16 C C1' . 27933 1 314 . 1 . 1 30 30 C C2' C 13 77.50 0.1 . 1 . . . . . 16 C C2' . 27933 1 315 . 1 . 1 30 30 C C3' C 13 69.77 0.1 . 1 . . . . . 16 C C3' . 27933 1 316 . 1 . 1 30 30 C C4' C 13 83.44 0.1 . 1 . . . . . 16 C C4' . 27933 1 317 . 1 . 1 30 30 C C5 C 13 97.64 0.1 . 1 . . . . . 16 C C5 . 27933 1 318 . 1 . 1 30 30 C C6 C 13 141.50 0.1 . 1 . . . . . 16 C C6 . 27933 1 319 . 1 . 1 30 30 C N1 N 15 152.20 . . 1 . . . . . 16 C N1 . 27933 1 stop_ save_