################################### # 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 17088 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $D2O _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 1H-15N HSQC' . . . 17088 1 2 '2D 1H-13C HSQC' . . . 17088 1 3 '2D 1H-13C HSQC' . . . 17088 1 4 '2D 1H-1H COSY' . . . 17088 1 5 '2D 1H-1H NOESY' . . . 17088 1 6 '2D 1H-1H NOESY' . . . 17088 1 7 '2D 1H-1H Filter/Edited NOESY' . . . 17088 1 8 '3D HCCH-TOCSY' . . . 17088 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 G H1 H 1 12.64 0.0160 . 1 . . . . 1 G H1 . 17088 1 2 . 1 1 1 1 G H1' H 1 5.821 0.0042 . 1 . . . . 1 G H1' . 17088 1 3 . 1 1 1 1 G H2' H 1 4.985 0.0035 . 1 . . . . 1 G H2' . 17088 1 4 . 1 1 1 1 G H3' H 1 4.82 0.0048 . 1 . . . . 1 G H3' . 17088 1 5 . 1 1 1 1 G H4' H 1 4.592 0.0055 . 1 . . . . 1 G H4' . 17088 1 6 . 1 1 1 1 G H5' H 1 4.317 0.0205 . 1 . . . . 1 G H5' . 17088 1 7 . 1 1 1 1 G H5'' H 1 4.391 0.0037 . 1 . . . . 1 G H5'' . 17088 1 8 . 1 1 1 1 G H8 H 1 8.171 0.0041 . 1 . . . . 1 G H8 . 17088 1 9 . 1 1 1 1 G C1' C 13 89.88 0.0349 . 1 . . . . 1 G C1' . 17088 1 10 . 1 1 1 1 G C2' C 13 74.77 0.0012 . 1 . . . . 1 G C2' . 17088 1 11 . 1 1 1 1 G C3' C 13 75.61 0.0010 . 1 . . . . 1 G C3' . 17088 1 12 . 1 1 1 1 G C4' C 13 84.04 0.0100 . 1 . . . . 1 G C4' . 17088 1 13 . 1 1 1 1 G C5' C 13 67.39 0.0010 . 1 . . . . 1 G C5' . 17088 1 14 . 1 1 1 1 G C8 C 13 139.1 0.0010 . 1 . . . . 1 G C8 . 17088 1 15 . 1 1 1 1 G N1 N 15 146.6 0.0000 . 1 . . . . 1 G N1 . 17088 1 16 . 1 1 2 2 A H1' H 1 6.167 0.0052 . 1 . . . . 2 A H1' . 17088 1 17 . 1 1 2 2 A H2 H 1 7.633 0.0043 . 1 . . . . 2 A H2 . 17088 1 18 . 1 1 2 2 A H2' H 1 4.842 0.0072 . 1 . . . . 2 A H2' . 17088 1 19 . 1 1 2 2 A H3' H 1 4.721 0.0045 . 1 . . . . 2 A H3' . 17088 1 20 . 1 1 2 2 A H4' H 1 4.652 0.0050 . 1 . . . . 2 A H4' . 17088 1 21 . 1 1 2 2 A H5' H 1 4.54 0.0258 . 1 . . . . 2 A H5' . 17088 1 22 . 1 1 2 2 A H5'' H 1 4.482 0.0240 . 1 . . . . 2 A H5'' . 17088 1 23 . 1 1 2 2 A H8 H 1 8.163 0.0041 . 1 . . . . 2 A H8 . 17088 1 24 . 1 1 2 2 A H61 H 1 7.317 0.0000 . 1 . . . . 2 A H61 . 17088 1 25 . 1 1 2 2 A H62 H 1 6.815 0.0000 . 1 . . . . 2 A H62 . 17088 1 26 . 1 1 2 2 A C1' C 13 92.78 0.0013 . 1 . . . . 2 A C1' . 17088 1 27 . 1 1 2 2 A C2 C 13 153.1 0.0000 . 1 . . . . 2 A C2 . 17088 1 28 . 1 1 2 2 A C2' C 13 75.77 0.0510 . 1 . . . . 2 A C2' . 17088 1 29 . 1 1 2 2 A C3' C 13 73.54 0.0232 . 1 . . . . 2 A C3' . 17088 1 30 . 1 1 2 2 A C4' C 13 82.94 0.0201 . 1 . . . . 2 A C4' . 17088 1 31 . 1 1 2 2 A C5' C 13 67.59 0.0010 . 1 . . . . 2 A C5' . 17088 1 32 . 1 1 2 2 A C8 C 13 140.5 0.0010 . 1 . . . . 2 A C8 . 17088 1 33 . 1 1 2 2 A N6 N 15 81.39 0.0074 . 1 . . . . 2 A N6 . 17088 1 34 . 1 1 3 3 G H1 H 1 12.54 0.0048 . 1 . . . . 3 G H1 . 17088 1 35 . 1 1 3 3 G H1' H 1 5.666 0.0046 . 1 . . . . 3 G H1' . 17088 1 36 . 1 1 3 3 G H2' H 1 4.62 0.0050 . 1 . . . . 3 G H2' . 17088 1 37 . 1 1 3 3 G H3' H 1 4.535 0.0042 . 1 . . . . 3 G H3' . 17088 1 38 . 1 1 3 3 G H4' H 1 4.541 0.0025 . 1 . . . . 3 G H4' . 17088 1 39 . 1 1 3 3 G H5' H 1 4.508 0.0021 . 1 . . . . 3 G H5' . 17088 1 40 . 1 1 3 3 G H5'' H 1 4.156 0.0065 . 1 . . . . 3 G H5'' . 17088 1 41 . 1 1 3 3 G H8 H 1 7.178 0.0050 . 1 . . . . 3 G H8 . 17088 1 42 . 1 1 3 3 G H21 H 1 7.996 0.0108 . 1 . . . . 3 G H21 . 17088 1 43 . 1 1 3 3 G H22 H 1 6.035 0.0154 . 1 . . . . 3 G H22 . 17088 1 44 . 1 1 3 3 G C1' C 13 92.82 0.0350 . 1 . . . . 3 G C1' . 17088 1 45 . 1 1 3 3 G C2' C 13 75.51 0.0010 . 1 . . . . 3 G C2' . 17088 1 46 . 1 1 3 3 G C3' C 13 74.33 0.0146 . 1 . . . . 3 G C3' . 17088 1 47 . 1 1 3 3 G C4' C 13 82.24 0.0533 . 1 . . . . 3 G C4' . 17088 1 48 . 1 1 3 3 G C5' C 13 66.82 0.0075 . 1 . . . . 3 G C5' . 17088 1 49 . 1 1 3 3 G C8 C 13 136 0.0010 . 1 . . . . 3 G C8 . 17088 1 50 . 1 1 3 3 G N1 N 15 146.3 0.0000 . 1 . . . . 3 G N1 . 17088 1 51 . 1 1 3 3 G N2 N 15 74.61 0.0080 . 1 . . . . 3 G N2 . 17088 1 52 . 1 1 4 4 A H1' H 1 5.999 0.0047 . 1 . . . . 4 A H1' . 17088 1 53 . 1 1 4 4 A H2 H 1 7.517 0.0197 . 1 . . . . 4 A H2 . 17088 1 54 . 1 1 4 4 A H2' H 1 4.662 0.0051 . 1 . . . . 4 A H2' . 17088 1 55 . 1 1 4 4 A H3' H 1 4.679 0.0033 . 1 . . . . 4 A H3' . 17088 1 56 . 1 1 4 4 A H4' H 1 4.551 0.0036 . 1 . . . . 4 A H4' . 17088 1 57 . 1 1 4 4 A H5' H 1 4.162 0.0034 . 1 . . . . 4 A H5' . 17088 1 58 . 1 1 4 4 A H5'' H 1 4.601 0.0010 . 1 . . . . 4 A H5'' . 17088 1 59 . 1 1 4 4 A H8 H 1 7.779 0.0071 . 1 . . . . 4 A H8 . 17088 1 60 . 1 1 4 4 A H61 H 1 7.314 0.0000 . 1 . . . . 4 A H61 . 17088 1 61 . 1 1 4 4 A H62 H 1 6.86 0.0000 . 1 . . . . 4 A H62 . 17088 1 62 . 1 1 4 4 A C1' C 13 92.93 0.0091 . 1 . . . . 4 A C1' . 17088 1 63 . 1 1 4 4 A C2 C 13 153.3 0.0010 . 1 . . . . 4 A C2 . 17088 1 64 . 1 1 4 4 A C2' C 13 75.7 0.0010 . 1 . . . . 4 A C2' . 17088 1 65 . 1 1 4 4 A C3' C 13 72.69 0.0420 . 1 . . . . 4 A C3' . 17088 1 66 . 1 1 4 4 A C4' C 13 82.07 0.0012 . 1 . . . . 4 A C4' . 17088 1 67 . 1 1 4 4 A C5' C 13 65.75 0.0020 . 1 . . . . 4 A C5' . 17088 1 68 . 1 1 4 4 A C8 C 13 139.4 0.0010 . 1 . . . . 4 A C8 . 17088 1 69 . 1 1 4 4 A N6 N 15 82.35 0.0065 . 1 . . . . 4 A N6 . 17088 1 70 . 1 1 5 5 G H1 H 1 13.38 0.0087 . 1 . . . . 5 G H1 . 17088 1 71 . 1 1 5 5 G H1' H 1 5.737 0.0095 . 1 . . . . 5 G H1' . 17088 1 72 . 1 1 5 5 G H2' H 1 4.701 0.0111 . 1 . . . . 5 G H2' . 17088 1 73 . 1 1 5 5 G H3' H 1 4.469 0.0067 . 1 . . . . 5 G H3' . 17088 1 74 . 1 1 5 5 G H4' H 1 4.457 0.0030 . 1 . . . . 5 G H4' . 17088 1 75 . 1 1 5 5 G H5' H 1 4.104 0.0050 . 1 . . . . 5 G H5' . 17088 1 76 . 1 1 5 5 G H5'' H 1 4.565 0.0025 . 1 . . . . 5 G H5'' . 17088 1 77 . 1 1 5 5 G H8 H 1 7.276 0.0086 . 1 . . . . 5 G H8 . 17088 1 78 . 1 1 5 5 G H21 H 1 8.511 0.0082 . 1 . . . . 5 G H21 . 17088 1 79 . 1 1 5 5 G H22 H 1 6.461 0.0124 . 1 . . . . 5 G H22 . 17088 1 80 . 1 1 5 5 G C1' C 13 92.69 0.0457 . 1 . . . . 5 G C1' . 17088 1 81 . 1 1 5 5 G C2' C 13 75.51 0.0383 . 1 . . . . 5 G C2' . 17088 1 82 . 1 1 5 5 G C3' C 13 72.4 0.0404 . 1 . . . . 5 G C3' . 17088 1 83 . 1 1 5 5 G C4' C 13 81.91 0.0148 . 1 . . . . 5 G C4' . 17088 1 84 . 1 1 5 5 G C5' C 13 64.97 0.0400 . 1 . . . . 5 G C5' . 17088 1 85 . 1 1 5 5 G C8 C 13 135.9 0.0010 . 1 . . . . 5 G C8 . 17088 1 86 . 1 1 5 5 G N1 N 15 147.5 0.0000 . 1 . . . . 5 G N1 . 17088 1 87 . 1 1 5 5 G N2 N 15 75.12 0.0000 . 1 . . . . 5 G N2 . 17088 1 88 . 1 1 6 6 PSU H1' H 1 4.653 0.0097 . 1 . . . . 6 PSU H1' . 17088 1 89 . 1 1 6 6 PSU H2' H 1 4.38 0.0115 . 1 . . . . 6 PSU H2' . 17088 1 90 . 1 1 6 6 PSU H3' H 1 4.405 0.0080 . 1 . . . . 6 PSU H3' . 17088 1 91 . 1 1 6 6 PSU H4' H 1 4.162 0.0049 . 1 . . . . 6 PSU H4' . 17088 1 92 . 1 1 6 6 PSU H5' H 1 4.344 0.0051 . 1 . . . . 6 PSU H5' . 17088 1 93 . 1 1 6 6 PSU H5'' H 1 4.019 0.0061 . 1 . . . . 6 PSU H5'' . 17088 1 94 . 1 1 6 6 PSU C1' C 13 81.8 0.0005 . 1 . . . . 6 PSU C1' . 17088 1 95 . 1 1 6 6 PSU C2' C 13 75.76 0.0010 . 1 . . . . 6 PSU C2' . 17088 1 96 . 1 1 6 6 PSU C3' C 13 74 0.0010 . 1 . . . . 6 PSU C3' . 17088 1 97 . 1 1 6 6 PSU C4' C 13 80.07 0.0009 . 1 . . . . 6 PSU C4' . 17088 1 98 . 1 1 6 6 PSU C6 C 13 140.8 0.0010 . 1 . . . . 6 PSU C6 . 17088 1 99 . 1 1 6 6 PSU H6 H 1 7.161 0.0052 . 1 . . . . 6 PSU H6 . 17088 1 100 . 1 1 6 6 PSU H1 H 1 10.65 0.0473 . 1 . . . . 6 PSU H1 . 17088 1 101 . 1 1 7 7 PSU H1' H 1 4.472 0.0094 . 1 . . . . 7 PSU H1' . 17088 1 102 . 1 1 7 7 PSU H2' H 1 4.126 0.0050 . 1 . . . . 7 PSU H2' . 17088 1 103 . 1 1 7 7 PSU H3' H 1 4.257 0.0035 . 1 . . . . 7 PSU H3' . 17088 1 104 . 1 1 7 7 PSU H4' H 1 4.073 0.0035 . 1 . . . . 7 PSU H4' . 17088 1 105 . 1 1 7 7 PSU H5' H 1 4.154 0.0045 . 1 . . . . 7 PSU H5' . 17088 1 106 . 1 1 7 7 PSU H5'' H 1 3.91 0.0030 . 1 . . . . 7 PSU H5'' . 17088 1 107 . 1 1 7 7 PSU C1' C 13 82.02 0.0025 . 1 . . . . 7 PSU C1' . 17088 1 108 . 1 1 7 7 PSU C2' C 13 75.53 0.0010 . 1 . . . . 7 PSU C2' . 17088 1 109 . 1 1 7 7 PSU C3' C 13 75.99 0.0010 . 1 . . . . 7 PSU C3' . 17088 1 110 . 1 1 7 7 PSU C4' C 13 81.67 0.0005 . 1 . . . . 7 PSU C4' . 17088 1 111 . 1 1 7 7 PSU C6 C 13 141.6 0.0010 . 1 . . . . 7 PSU C6 . 17088 1 112 . 1 1 7 7 PSU H6 H 1 7.393 0.0054 . 1 . . . . 7 PSU H6 . 17088 1 113 . 1 1 7 7 PSU H1 H 1 10.81 0.0005 . 1 . . . . 7 PSU H1 . 17088 1 114 . 1 1 8 8 G H1 H 1 10.52 0.0035 . 1 . . . . 8 G H1 . 17088 1 115 . 1 1 8 8 G H1' H 1 5.584 0.0041 . 1 . . . . 8 G H1' . 17088 1 116 . 1 1 8 8 G H2' H 1 4.519 0.0050 . 1 . . . . 8 G H2' . 17088 1 117 . 1 1 8 8 G H3' H 1 4.597 0.0033 . 1 . . . . 8 G H3' . 17088 1 118 . 1 1 8 8 G H4' H 1 4.021 0.0005 . 1 . . . . 8 G H4' . 17088 1 119 . 1 1 8 8 G H5' H 1 3.928 0.0040 . 1 . . . . 8 G H5' . 17088 1 120 . 1 1 8 8 G H5'' H 1 3.969 0.0045 . 1 . . . . 8 G H5'' . 17088 1 121 . 1 1 8 8 G H8 H 1 7.82 0.0047 . 1 . . . . 8 G H8 . 17088 1 122 . 1 1 8 8 G C1' C 13 89.7 0.0760 . 1 . . . . 8 G C1' . 17088 1 123 . 1 1 8 8 G C2' C 13 76.01 0.0119 . 1 . . . . 8 G C2' . 17088 1 124 . 1 1 8 8 G C3' C 13 78.08 0.0319 . 1 . . . . 8 G C3' . 17088 1 125 . 1 1 8 8 G C4' C 13 85.29 0.0075 . 1 . . . . 8 G C4' . 17088 1 126 . 1 1 8 8 G C5' C 13 68.17 0.0010 . 1 . . . . 8 G C5' . 17088 1 127 . 1 1 8 8 G C8 C 13 140.2 0.0010 . 1 . . . . 8 G C8 . 17088 1 128 . 1 1 8 8 G N1 N 15 145.3 0.0000 . 1 . . . . 8 G N1 . 17088 1 129 . 1 1 8 8 G N2 N 15 73.88 0.0000 . 1 . . . . 8 G N2 . 17088 1 130 . 1 1 9 9 G H1 H 1 10.92 0.0010 . 1 . . . . 9 G H1 . 17088 1 131 . 1 1 9 9 G H1' H 1 5.91 0.0076 . 1 . . . . 9 G H1' . 17088 1 132 . 1 1 9 9 G H2' H 1 4.908 0.0043 . 1 . . . . 9 G H2' . 17088 1 133 . 1 1 9 9 G H3' H 1 5.155 0.0212 . 1 . . . . 9 G H3' . 17088 1 134 . 1 1 9 9 G H4' H 1 4.501 0.0037 . 1 . . . . 9 G H4' . 17088 1 135 . 1 1 9 9 G H5' H 1 4.25 0.0059 . 1 . . . . 9 G H5' . 17088 1 136 . 1 1 9 9 G H5'' H 1 4.19 0.0052 . 1 . . . . 9 G H5'' . 17088 1 137 . 1 1 9 9 G H8 H 1 7.935 0.0041 . 1 . . . . 9 G H8 . 17088 1 138 . 1 1 9 9 G H22 H 1 6.397 0.0037 . 2 . . . . 9 G H21 . 17088 1 139 . 1 1 9 9 G C1' C 13 91.01 0.0218 . 1 . . . . 9 G C1' . 17088 1 140 . 1 1 9 9 G C2' C 13 75.67 0.0010 . 1 . . . . 9 G C2' . 17088 1 141 . 1 1 9 9 G C3' C 13 77.1 0.0255 . 1 . . . . 9 G C3' . 17088 1 142 . 1 1 9 9 G C4' C 13 85.02 0.0064 . 1 . . . . 9 G C4' . 17088 1 143 . 1 1 9 9 G C5' C 13 68.51 0.0010 . 1 . . . . 9 G C5' . 17088 1 144 . 1 1 9 9 G C8 C 13 141.2 0.0010 . 1 . . . . 9 G C8 . 17088 1 145 . 1 1 9 9 G N1 N 15 146.7 0.0000 . 1 . . . . 9 G N1 . 17088 1 146 . 1 1 9 9 G N2 N 15 72.7 0.0590 . 1 . . . . 9 G N2 . 17088 1 147 . 1 1 10 10 G H1 H 1 11.74 0.0110 . 1 . . . . 10 G H1 . 17088 1 148 . 1 1 10 10 G H1' H 1 5.638 0.0093 . 1 . . . . 10 G H1' . 17088 1 149 . 1 1 10 10 G H2' H 1 4.663 0.0158 . 1 . . . . 10 G H2' . 17088 1 150 . 1 1 10 10 G H3' H 1 4.815 0.0081 . 1 . . . . 10 G H3' . 17088 1 151 . 1 1 10 10 G H4' H 1 4.601 0.0004 . 1 . . . . 10 G H4' . 17088 1 152 . 1 1 10 10 G H5' H 1 4.391 0.0040 . 1 . . . . 10 G H5' . 17088 1 153 . 1 1 10 10 G H5'' H 1 4.315 0.0010 . 1 . . . . 10 G H5'' . 17088 1 154 . 1 1 10 10 G H8 H 1 8.109 0.0038 . 1 . . . . 10 G H8 . 17088 1 155 . 1 1 10 10 G H22 H 1 6.46 0.0070 . 2 . . . . 10 G H21 . 17088 1 156 . 1 1 10 10 G C1' C 13 90.78 0.0400 . 1 . . . . 10 G C1' . 17088 1 157 . 1 1 10 10 G C2' C 13 75.66 0.0245 . 1 . . . . 10 G C2' . 17088 1 158 . 1 1 10 10 G C3' C 13 75.39 0.0125 . 1 . . . . 10 G C3' . 17088 1 159 . 1 1 10 10 G C4' C 13 84.05 0.0304 . 1 . . . . 10 G C4' . 17088 1 160 . 1 1 10 10 G C5' C 13 68.88 0.0133 . 1 . . . . 10 G C5' . 17088 1 161 . 1 1 10 10 G C8 C 13 139.1 0.0010 . 1 . . . . 10 G C8 . 17088 1 162 . 1 1 10 10 G N1 N 15 145.6 0.0000 . 1 . . . . 10 G N1 . 17088 1 163 . 1 1 10 10 G N2 N 15 73.72 0.0637 . 1 . . . . 10 G N2 . 17088 1 164 . 1 1 11 11 C H1' H 1 5.434 0.0007 . 1 . . . . 11 C H1' . 17088 1 165 . 1 1 11 11 C H2' H 1 4.609 0.0055 . 1 . . . . 11 C H2' . 17088 1 166 . 1 1 11 11 C H3' H 1 4.479 0.0065 . 1 . . . . 11 C H3' . 17088 1 167 . 1 1 11 11 C H4' H 1 4.506 0.0047 . 1 . . . . 11 C H4' . 17088 1 168 . 1 1 11 11 C H5 H 1 5.627 0.0121 . 1 . . . . 11 C H5 . 17088 1 169 . 1 1 11 11 C H5' H 1 4.241 0.0036 . 1 . . . . 11 C H5' . 17088 1 170 . 1 1 11 11 C H5'' H 1 4.473 0.0010 . 1 . . . . 11 C H5'' . 17088 1 171 . 1 1 11 11 C H6 H 1 7.709 0.0142 . 1 . . . . 11 C H6 . 17088 1 172 . 1 1 11 11 C H41 H 1 8.801 0.0066 . 1 . . . . 11 C H41 . 17088 1 173 . 1 1 11 11 C H42 H 1 7.054 0.0008 . 1 . . . . 11 C H42 . 17088 1 174 . 1 1 11 11 C C1' C 13 94.38 0.0206 . 1 . . . . 11 C C1' . 17088 1 175 . 1 1 11 11 C C2' C 13 75.36 0.0049 . 1 . . . . 11 C C2' . 17088 1 176 . 1 1 11 11 C C3' C 13 73.05 0.0010 . 1 . . . . 11 C C3' . 17088 1 177 . 1 1 11 11 C C4' C 13 82.45 0.0459 . 1 . . . . 11 C C4' . 17088 1 178 . 1 1 11 11 C C5 C 13 97.89 0.0009 . 1 . . . . 11 C C5 . 17088 1 179 . 1 1 11 11 C C5' C 13 66.16 0.0015 . 1 . . . . 11 C C5' . 17088 1 180 . 1 1 11 11 C C6 C 13 141.8 0.0010 . 1 . . . . 11 C C6 . 17088 1 181 . 1 1 11 11 C N4 N 15 97.81 0.0579 . 1 . . . . 11 C N4 . 17088 1 182 . 1 1 12 12 PSU H1' H 1 4.885 0.0034 . 1 . . . . 12 PSU H1' . 17088 1 183 . 1 1 12 12 PSU H2' H 1 4.566 0.0048 . 1 . . . . 12 PSU H2' . 17088 1 184 . 1 1 12 12 PSU H3' H 1 4.611 0.0046 . 1 . . . . 12 PSU H3' . 17088 1 185 . 1 1 12 12 PSU H4' H 1 4.307 0.0067 . 1 . . . . 12 PSU H4' . 17088 1 186 . 1 1 12 12 PSU H5' H 1 4.513 0.0043 . 1 . . . . 12 PSU H5' . 17088 1 187 . 1 1 12 12 PSU H5'' H 1 4.095 0.0084 . 1 . . . . 12 PSU H5'' . 17088 1 188 . 1 1 12 12 PSU C1' C 13 83.08 0.0010 . 1 . . . . 12 PSU C1' . 17088 1 189 . 1 1 12 12 PSU C2' C 13 74.85 0.0010 . 1 . . . . 12 PSU C2' . 17088 1 190 . 1 1 12 12 PSU C3' C 13 73.5 0.0010 . 1 . . . . 12 PSU C3' . 17088 1 191 . 1 1 12 12 PSU C4' C 13 79.69 0.0005 . 1 . . . . 12 PSU C4' . 17088 1 192 . 1 1 12 12 PSU C6 C 13 140.8 0.0010 . 1 . . . . 12 PSU C6 . 17088 1 193 . 1 1 12 12 PSU H6 H 1 7.554 0.0010 . 1 . . . . 12 PSU H6 . 17088 1 194 . 1 1 12 12 PSU H1 H 1 10.92 0.0111 . 1 . . . . 12 PSU H1 . 17088 1 195 . 1 1 12 12 PSU H3 H 1 14.26 0.0048 . 1 . . . . 12 PSU H3 . 17088 1 196 . 1 1 13 13 C H1' H 1 5.578 0.0057 . 1 . . . . 13 C H1' . 17088 1 197 . 1 1 13 13 C H2' H 1 4.462 0.0054 . 1 . . . . 13 C H2' . 17088 1 198 . 1 1 13 13 C H3' H 1 4.61 0.0074 . 1 . . . . 13 C H3' . 17088 1 199 . 1 1 13 13 C H4' H 1 4.488 0.0063 . 1 . . . . 13 C H4' . 17088 1 200 . 1 1 13 13 C H5 H 1 5.733 0.0065 . 1 . . . . 13 C H5 . 17088 1 201 . 1 1 13 13 C H5' H 1 4.111 0.0068 . 1 . . . . 13 C H5' . 17088 1 202 . 1 1 13 13 C H5'' H 1 4.614 0.0015 . 1 . . . . 13 C H5'' . 17088 1 203 . 1 1 13 13 C H6 H 1 7.956 0.0060 . 1 . . . . 13 C H6 . 17088 1 204 . 1 1 13 13 C H41 H 1 8.532 0.0051 . 1 . . . . 13 C H41 . 17088 1 205 . 1 1 13 13 C H42 H 1 7.052 0.0066 . 1 . . . . 13 C H42 . 17088 1 206 . 1 1 13 13 C C1' C 13 94.09 0.0094 . 1 . . . . 13 C C1' . 17088 1 207 . 1 1 13 13 C C2' C 13 75.44 0.0075 . 1 . . . . 13 C C2' . 17088 1 208 . 1 1 13 13 C C3' C 13 72.13 0.0035 . 1 . . . . 13 C C3' . 17088 1 209 . 1 1 13 13 C C4' C 13 81.86 0.0035 . 1 . . . . 13 C C4' . 17088 1 210 . 1 1 13 13 C C5 C 13 97.51 0.0160 . 1 . . . . 13 C C5 . 17088 1 211 . 1 1 13 13 C C5' C 13 64.89 0.0125 . 1 . . . . 13 C C5' . 17088 1 212 . 1 1 13 13 C C6 C 13 142.2 0.0010 . 1 . . . . 13 C C6 . 17088 1 213 . 1 1 13 13 C N4 N 15 96.89 0.0595 . 1 . . . . 13 C N4 . 17088 1 214 . 1 1 14 14 PSU H1' H 1 4.819 0.0047 . 1 . . . . 14 PSU H1' . 17088 1 215 . 1 1 14 14 PSU H2' H 1 4.264 0.0102 . 1 . . . . 14 PSU H2' . 17088 1 216 . 1 1 14 14 PSU H3' H 1 4.593 0.0060 . 1 . . . . 14 PSU H3' . 17088 1 217 . 1 1 14 14 PSU H4' H 1 4.46 0.0068 . 1 . . . . 14 PSU H4' . 17088 1 218 . 1 1 14 14 PSU H5' H 1 4.564 0.0092 . 1 . . . . 14 PSU H5' . 17088 1 219 . 1 1 14 14 PSU H5'' H 1 4.061 0.0053 . 1 . . . . 14 PSU H5'' . 17088 1 220 . 1 1 14 14 PSU C1' C 13 83.22 0.0080 . 1 . . . . 14 PSU C1' . 17088 1 221 . 1 1 14 14 PSU C2' C 13 74.93 0.0010 . 1 . . . . 14 PSU C2' . 17088 1 222 . 1 1 14 14 PSU C3' C 13 73.2 0.0775 . 1 . . . . 14 PSU C3' . 17088 1 223 . 1 1 14 14 PSU C4' C 13 82 0.0000 . 1 . . . . 14 PSU C4' . 17088 1 224 . 1 1 14 14 PSU C6 C 13 140.7 0.0000 . 1 . . . . 14 PSU C6 . 17088 1 225 . 1 1 14 14 PSU H6 H 1 7.518 0.0049 . 1 . . . . 14 PSU H6 . 17088 1 226 . 1 1 14 14 PSU H1 H 1 10.78 0.0108 . 1 . . . . 14 PSU H1 . 17088 1 227 . 1 1 14 14 PSU H3 H 1 13.98 0.0504 . 1 . . . . 14 PSU H3 . 17088 1 228 . 1 1 15 15 C H1' H 1 5.832 0.0052 . 1 . . . . 15 C H1' . 17088 1 229 . 1 1 15 15 C H2' H 1 4.014 0.0054 . 1 . . . . 15 C H2' . 17088 1 230 . 1 1 15 15 C H3' H 1 4.221 0.0048 . 1 . . . . 15 C H3' . 17088 1 231 . 1 1 15 15 C H4' H 1 4.216 0.0031 . 1 . . . . 15 C H4' . 17088 1 232 . 1 1 15 15 C H5 H 1 5.717 0.0085 . 1 . . . . 15 C H5 . 17088 1 233 . 1 1 15 15 C H5' H 1 4.517 0.0037 . 1 . . . . 15 C H5' . 17088 1 234 . 1 1 15 15 C H5'' H 1 4.052 0.0050 . 1 . . . . 15 C H5'' . 17088 1 235 . 1 1 15 15 C H6 H 1 7.808 0.0072 . 1 . . . . 15 C H6 . 17088 1 236 . 1 1 15 15 C H41 H 1 8.283 0.0105 . 1 . . . . 15 C H41 . 17088 1 237 . 1 1 15 15 C H42 H 1 7.17 0.0146 . 1 . . . . 15 C H42 . 17088 1 238 . 1 1 15 15 C C1' C 13 92.82 0.0055 . 1 . . . . 15 C C1' . 17088 1 239 . 1 1 15 15 C C2' C 13 77.63 0.0201 . 1 . . . . 15 C C2' . 17088 1 240 . 1 1 15 15 C C3' C 13 69.83 5.9118 . 1 . . . . 15 C C3' . 17088 1 241 . 1 1 15 15 C C4' C 13 83.42 0.0775 . 1 . . . . 15 C C4' . 17088 1 242 . 1 1 15 15 C C5 C 13 97.85 0.0010 . 1 . . . . 15 C C5 . 17088 1 243 . 1 1 15 15 C C5' C 13 65.65 0.0010 . 1 . . . . 15 C C5' . 17088 1 244 . 1 1 15 15 C C6 C 13 142.4 0.0010 . 1 . . . . 15 C C6 . 17088 1 245 . 1 1 15 15 C N4 N 15 96.17 0.0573 . 1 . . . . 15 C N4 . 17088 1 stop_ save_