################################### # 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 34991 _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 'Assignment of exchangeable protons at low temperature' _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 NH2 only' . . . 34991 1 2 BEST-TROSY . . . 34991 1 3 '1H-15N CPMG-NOESY' . . . 34991 1 4 HNN-COSY . . . 34991 1 5 '2D NOESY' . . . 34991 1 6 '3D 1H-13C NOESY' . . . 34991 1 7 '2D 1H-13C HSQC aliphatic' . . . 34991 1 8 '2D 1H-13C HSQC aromatic' . . . 34991 1 9 BEST-TROSY . . . 34991 1 10 CNC . . . 34991 1 11 '1H-15N CPMG-NOESY' . . . 34991 1 12 '2D 1H-1H TOCSY' . . . 34991 1 13 HCCNH . . . 34991 1 14 '3D HCN' . . . 34991 1 15 '2D NOESY' . . . 34991 1 16 fw-HCCH-TOCSY . . . 34991 1 17 '2D NOESY' . . . 34991 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 12.899 0.00 . 1 . . . . A 1 G H1 . 34991 1 2 . 1 . 1 1 1 G N1 N 15 147.245 0.03 . 1 . . . . A 1 G N1 . 34991 1 3 . 1 . 1 2 2 G H1 H 1 13.457 0.00 . 1 . . . . A 2 G H1 . 34991 1 4 . 1 . 1 2 2 G N1 N 15 148.326 0.02 . 1 . . . . A 2 G N1 . 34991 1 5 . 1 . 1 3 3 U H3 H 1 14.423 0.01 . 1 . . . . A 3 U H3 . 34991 1 6 . 1 . 1 3 3 U N3 N 15 162.597 0.06 . 1 . . . . A 3 U N3 . 34991 1 7 . 1 . 1 4 4 U H3 H 1 13.848 0.00 . 1 . . . . A 4 U H3 . 34991 1 8 . 1 . 1 4 4 U N3 N 15 163.041 0.07 . 1 . . . . A 4 U N3 . 34991 1 9 . 1 . 1 5 5 C H6 H 1 7.913 0.00 . 1 . . . . A 5 C H6 . 34991 1 10 . 1 . 1 5 5 C H41 H 1 8.430 0.00 . . . . . . A 5 C H41 . 34991 1 11 . 1 . 1 5 5 C H42 H 1 7.044 0.00 . . . . . . A 5 C H42 . 34991 1 12 . 1 . 1 5 5 C N3 N 15 197.190 0.00 . 1 . . . . A 5 C N3 . 34991 1 13 . 1 . 1 5 5 C N4 N 15 97.774 0.01 . 1 . . . . A 5 C N4 . 34991 1 14 . 1 . 1 6 6 A H2 H 1 7.318 0.00 . 1 . . . . A 6 A H2 . 34991 1 15 . 1 . 1 6 6 A H62 H 1 6.358 0.00 . . . . . . A 6 A H62 . 34991 1 16 . 1 . 1 6 6 A N1 N 15 221.258 0.00 . 1 . . . . A 6 A N1 . 34991 1 17 . 1 . 1 6 6 A N6 N 15 84.173 0.00 . 1 . . . . A 6 A N6 . 34991 1 18 . 1 . 1 7 7 C H6 H 1 7.263 0.00 . 1 . . . . A 7 C H6 . 34991 1 19 . 1 . 1 7 7 C H41 H 1 8.240 0.00 . . . . . . A 7 C H41 . 34991 1 20 . 1 . 1 7 7 C H42 H 1 7.067 0.00 . . . . . . A 7 C H42 . 34991 1 21 . 1 . 1 7 7 C N3 N 15 196.362 0.00 . 1 . . . . A 7 C N3 . 34991 1 22 . 1 . 1 7 7 C N4 N 15 99.023 0.02 . 1 . . . . A 7 C N4 . 34991 1 23 . 1 . 1 13 13 G H1 H 1 13.155 0.00 . 1 . . . . A 13 G H1 . 34991 1 24 . 1 . 1 13 13 G N1 N 15 148.537 0.02 . 1 . . . . A 13 G N1 . 34991 1 25 . 1 . 1 14 14 U H3 H 1 13.671 0.01 . 1 . . . . A 14 U H3 . 34991 1 26 . 1 . 1 14 14 U N3 N 15 162.137 0.04 . 1 . . . . A 14 U N3 . 34991 1 27 . 1 . 1 15 15 G H1 H 1 11.707 0.00 . 1 . . . . A 15 G H1 . 34991 1 28 . 1 . 1 15 15 G H21 H 1 7.320 0.00 . . . . . . A 15 G H21 . 34991 1 29 . 1 . 1 15 15 G N1 N 15 146.186 0.02 . 1 . . . . A 15 G N1 . 34991 1 30 . 1 . 1 15 15 G N2 N 15 74.392 0.01 . 1 . . . . A 15 G N2 . 34991 1 31 . 1 . 1 16 16 A H2 H 1 7.048 0.00 . 1 . . . . A 16 A H2 . 34991 1 32 . 1 . 1 16 16 A H62 H 1 6.761 0.00 . . . . . . A 16 A H62 . 34991 1 33 . 1 . 1 16 16 A N1 N 15 220.687 0.00 . 1 . . . . A 16 A N1 . 34991 1 34 . 1 . 1 16 16 A N6 N 15 84.424 0.00 . 1 . . . . A 16 A N6 . 34991 1 35 . 1 . 1 17 17 A H2 H 1 7.769 0.00 . 1 . . . . A 17 A H2 . 34991 1 36 . 1 . 1 17 17 A H61 H 1 8.295 0.00 . . . . . . A 17 A H61 . 34991 1 37 . 1 . 1 17 17 A H62 H 1 6.785 0.00 . . . . . . A 17 A H62 . 34991 1 38 . 1 . 1 17 17 A N1 N 15 222.035 0.00 . 1 . . . . A 17 A N1 . 34991 1 39 . 1 . 1 17 17 A N6 N 15 86.168 0.00 . 1 . . . . A 17 A N6 . 34991 1 40 . 1 . 1 18 18 C H6 H 1 7.420 0.00 . 1 . . . . A 18 C H6 . 34991 1 41 . 1 . 1 18 18 C H41 H 1 8.382 0.00 . . . . . . A 18 C H41 . 34991 1 42 . 1 . 1 18 18 C H42 H 1 7.078 0.01 . . . . . . A 18 C H42 . 34991 1 43 . 1 . 1 18 18 C N3 N 15 198.078 0.00 . 1 . . . . A 18 C N3 . 34991 1 44 . 1 . 1 18 18 C N4 N 15 99.013 0.03 . 1 . . . . A 18 C N4 . 34991 1 45 . 1 . 1 19 19 C H6 H 1 7.449 0.00 . 1 . . . . A 19 C H6 . 34991 1 46 . 1 . 1 19 19 C H41 H 1 8.617 0.00 . . . . . . A 19 C H41 . 34991 1 47 . 1 . 1 19 19 C H42 H 1 7.072 0.00 . . . . . . A 19 C H42 . 34991 1 48 . 1 . 1 19 19 C N3 N 15 195.993 0.00 . 1 . . . . A 19 C N3 . 34991 1 49 . 1 . 1 19 19 C N4 N 15 99.175 0.05 . 1 . . . . A 19 C N4 . 34991 1 stop_ save_ ################################### # 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_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 34991 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _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-15N HSQC NH2 only' . . . 34991 2 2 BEST-TROSY . . . 34991 2 3 '1H-15N CPMG-NOESY' . . . 34991 2 4 HNN-COSY . . . 34991 2 5 '2D NOESY' . . . 34991 2 6 '3D 1H-13C NOESY' . . . 34991 2 7 '2D 1H-13C HSQC aliphatic' . . . 34991 2 8 '2D 1H-13C HSQC aromatic' . . . 34991 2 9 BEST-TROSY . . . 34991 2 10 CNC . . . 34991 2 11 '1H-15N CPMG-NOESY' . . . 34991 2 12 '2D 1H-1H TOCSY' . . . 34991 2 13 HCCNH . . . 34991 2 14 '3D HCN' . . . 34991 2 15 '2D NOESY' . . . 34991 2 16 fw-HCCH-TOCSY . . . 34991 2 17 '2D NOESY' . . . 34991 2 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 12.836 0.00 . 1 . . . . A 1 G H1 . 34991 2 2 . 1 . 1 1 1 G H1' H 1 5.848 0.00 . 1 . . . . A 1 G H1' . 34991 2 3 . 1 . 1 1 1 G H2' H 1 4.977 0.00 . 1 . . . . A 1 G H2' . 34991 2 4 . 1 . 1 1 1 G H3' H 1 4.731 0.01 . 1 . . . . A 1 G H3' . 34991 2 5 . 1 . 1 1 1 G H4' H 1 4.565 0.00 . 1 . . . . A 1 G H4' . 34991 2 6 . 1 . 1 1 1 G H5' H 1 4.427 0.00 . . . . . . A 1 G H5' . 34991 2 7 . 1 . 1 1 1 G H5'' H 1 4.267 0.00 . . . . . . A 1 G H5'' . 34991 2 8 . 1 . 1 1 1 G H8 H 1 8.159 0.01 . 1 . . . . A 1 G H8 . 34991 2 9 . 1 . 1 1 1 G C1' C 13 92.035 0.01 . 1 . . . . A 1 G C1' . 34991 2 10 . 1 . 1 1 1 G C2' C 13 75.084 0.00 . 1 . . . . A 1 G C2' . 34991 2 11 . 1 . 1 1 1 G C3' C 13 74.354 0.00 . 1 . . . . A 1 G C3' . 34991 2 12 . 1 . 1 1 1 G C4' C 13 83.277 0.00 . 1 . . . . A 1 G C4' . 34991 2 13 . 1 . 1 1 1 G C5' C 13 66.729 0.02 . 1 . . . . A 1 G C5' . 34991 2 14 . 1 . 1 1 1 G C8 C 13 139.134 0.05 . 1 . . . . A 1 G C8 . 34991 2 15 . 1 . 1 1 1 G N1 N 15 147.387 0.08 . 1 . . . . A 1 G N1 . 34991 2 16 . 1 . 1 2 2 G H1 H 1 13.402 0.00 . 1 . . . . A 2 G H1 . 34991 2 17 . 1 . 1 2 2 G H1' H 1 5.946 0.00 . 1 . . . . A 2 G H1' . 34991 2 18 . 1 . 1 2 2 G H2' H 1 4.572 0.01 . 1 . . . . A 2 G H2' . 34991 2 19 . 1 . 1 2 2 G H3' H 1 4.562 0.00 . 1 . . . . A 2 G H3' . 34991 2 20 . 1 . 1 2 2 G H4' H 1 4.564 0.00 . 1 . . . . A 2 G H4' . 34991 2 21 . 1 . 1 2 2 G H5'' H 1 4.230 0.00 . . . . . . A 2 G H5'' . 34991 2 22 . 1 . 1 2 2 G H8 H 1 7.557 0.00 . 1 . . . . A 2 G H8 . 34991 2 23 . 1 . 1 2 2 G C1' C 13 93.169 0.02 . 1 . . . . A 2 G C1' . 34991 2 24 . 1 . 1 2 2 G C2' C 13 75.323 0.03 . 1 . . . . A 2 G C2' . 34991 2 25 . 1 . 1 2 2 G C3' C 13 73.142 0.01 . 1 . . . . A 2 G C3' . 34991 2 26 . 1 . 1 2 2 G C4' C 13 82.549 0.00 . 1 . . . . A 2 G C4' . 34991 2 27 . 1 . 1 2 2 G C5' C 13 65.965 0.04 . 1 . . . . A 2 G C5' . 34991 2 28 . 1 . 1 2 2 G C8 C 13 136.927 0.04 . 1 . . . . A 2 G C8 . 34991 2 29 . 1 . 1 2 2 G N1 N 15 148.362 0.02 . 1 . . . . A 2 G N1 . 34991 2 30 . 1 . 1 3 3 U H1' H 1 5.613 0.00 . 1 . . . . A 3 U H1' . 34991 2 31 . 1 . 1 3 3 U H2' H 1 4.536 0.00 . 1 . . . . A 3 U H2' . 34991 2 32 . 1 . 1 3 3 U H3 H 1 14.332 0.00 . 1 . . . . A 3 U H3 . 34991 2 33 . 1 . 1 3 3 U H4' H 1 4.522 0.00 . 1 . . . . A 3 U H4' . 34991 2 34 . 1 . 1 3 3 U H5 H 1 5.147 0.00 . 1 . . . . A 3 U H5 . 34991 2 35 . 1 . 1 3 3 U H5' H 1 4.614 0.00 . . . . . . A 3 U H5' . 34991 2 36 . 1 . 1 3 3 U H5'' H 1 4.137 0.01 . . . . . . A 3 U H5'' . 34991 2 37 . 1 . 1 3 3 U H6 H 1 7.832 0.01 . 1 . . . . A 3 U H6 . 34991 2 38 . 1 . 1 3 3 U C1' C 13 93.884 0.04 . 1 . . . . A 3 U C1' . 34991 2 39 . 1 . 1 3 3 U C2' C 13 75.309 0.00 . 1 . . . . A 3 U C2' . 34991 2 40 . 1 . 1 3 3 U C5' C 13 64.428 0.00 . 1 . . . . A 3 U C5' . 34991 2 41 . 1 . 1 3 3 U C6 C 13 141.865 0.03 . 1 . . . . A 3 U C6 . 34991 2 42 . 1 . 1 3 3 U N3 N 15 162.505 0.00 . 1 . . . . A 3 U N3 . 34991 2 43 . 1 . 1 4 4 U H1' H 1 5.658 0.01 . 1 . . . . A 4 U H1' . 34991 2 44 . 1 . 1 4 4 U H2' H 1 4.493 0.01 . 1 . . . . A 4 U H2' . 34991 2 45 . 1 . 1 4 4 U H3 H 1 13.757 0.00 . 1 . . . . A 4 U H3 . 34991 2 46 . 1 . 1 4 4 U H3' H 1 4.525 0.01 . 1 . . . . A 4 U H3' . 34991 2 47 . 1 . 1 4 4 U H4' H 1 4.492 0.00 . 1 . . . . A 4 U H4' . 34991 2 48 . 1 . 1 4 4 U H5 H 1 5.634 0.02 . 1 . . . . A 4 U H5 . 34991 2 49 . 1 . 1 4 4 U H5'' H 1 4.138 0.00 . . . . . . A 4 U H5'' . 34991 2 50 . 1 . 1 4 4 U H6 H 1 7.996 0.01 . 1 . . . . A 4 U H6 . 34991 2 51 . 1 . 1 4 4 U C1' C 13 93.799 0.03 . 1 . . . . A 4 U C1' . 34991 2 52 . 1 . 1 4 4 U C2' C 13 75.427 0.01 . 1 . . . . A 4 U C2' . 34991 2 53 . 1 . 1 4 4 U C3' C 13 72.558 0.02 . 1 . . . . A 4 U C3' . 34991 2 54 . 1 . 1 4 4 U C4' C 13 82.107 0.03 . 1 . . . . A 4 U C4' . 34991 2 55 . 1 . 1 4 4 U C5' C 13 64.889 0.03 . 1 . . . . A 4 U C5' . 34991 2 56 . 1 . 1 4 4 U C6 C 13 142.365 0.03 . 1 . . . . A 4 U C6 . 34991 2 57 . 1 . 1 4 4 U N3 N 15 162.955 0.00 . 1 . . . . A 4 U N3 . 34991 2 58 . 1 . 1 5 5 C H1' H 1 5.488 0.00 . 1 . . . . A 5 C H1' . 34991 2 59 . 1 . 1 5 5 C H2' H 1 4.401 0.00 . 1 . . . . A 5 C H2' . 34991 2 60 . 1 . 1 5 5 C H3' H 1 4.553 0.00 . 1 . . . . A 5 C H3' . 34991 2 61 . 1 . 1 5 5 C H4' H 1 4.465 0.01 . 1 . . . . A 5 C H4' . 34991 2 62 . 1 . 1 5 5 C H5 H 1 5.700 0.00 . 1 . . . . A 5 C H5 . 34991 2 63 . 1 . 1 5 5 C H5' H 1 4.562 0.00 . . . . . . A 5 C H5' . 34991 2 64 . 1 . 1 5 5 C H5'' H 1 4.138 0.00 . . . . . . A 5 C H5'' . 34991 2 65 . 1 . 1 5 5 C H6 H 1 7.877 0.00 . 1 . . . . A 5 C H6 . 34991 2 66 . 1 . 1 5 5 C H41 H 1 8.394 0.02 . . . . . . A 5 C H41 . 34991 2 67 . 1 . 1 5 5 C H42 H 1 6.933 0.00 . . . . . . A 5 C H42 . 34991 2 68 . 1 . 1 5 5 C C1' C 13 93.890 0.03 . 1 . . . . A 5 C C1' . 34991 2 69 . 1 . 1 5 5 C C2' C 13 75.284 0.02 . 1 . . . . A 5 C C2' . 34991 2 70 . 1 . 1 5 5 C C3' C 13 72.586 0.04 . 1 . . . . A 5 C C3' . 34991 2 71 . 1 . 1 5 5 C C4' C 13 81.907 0.03 . 1 . . . . A 5 C C4' . 34991 2 72 . 1 . 1 5 5 C C5' C 13 65.019 0.03 . 1 . . . . A 5 C C5' . 34991 2 73 . 1 . 1 5 5 C C6 C 13 141.497 0.01 . 1 . . . . A 5 C C6 . 34991 2 74 . 1 . 1 5 5 C N4 N 15 97.445 0.01 . 1 . . . . A 5 C N4 . 34991 2 75 . 1 . 1 6 6 A H1' H 1 5.865 0.00 . 1 . . . . A 6 A H1' . 34991 2 76 . 1 . 1 6 6 A H2 H 1 7.324 0.01 . 1 . . . . A 6 A H2 . 34991 2 77 . 1 . 1 6 6 A H2' H 1 4.471 0.00 . 1 . . . . A 6 A H2' . 34991 2 78 . 1 . 1 6 6 A H3' H 1 4.656 0.00 . 1 . . . . A 6 A H3' . 34991 2 79 . 1 . 1 6 6 A H4' H 1 4.469 0.00 . 1 . . . . A 6 A H4' . 34991 2 80 . 1 . 1 6 6 A H5' H 1 4.580 0.01 . . . . . . A 6 A H5' . 34991 2 81 . 1 . 1 6 6 A H5'' H 1 4.132 0.00 . . . . . . A 6 A H5'' . 34991 2 82 . 1 . 1 6 6 A H8 H 1 8.077 0.00 . 1 . . . . A 6 A H8 . 34991 2 83 . 1 . 1 6 6 A C1' C 13 92.849 0.06 . 1 . . . . A 6 A C1' . 34991 2 84 . 1 . 1 6 6 A C2 C 13 153.302 0.00 . 1 . . . . A 6 A C2 . 34991 2 85 . 1 . 1 6 6 A C2' C 13 75.538 0.01 . 1 . . . . A 6 A C2' . 34991 2 86 . 1 . 1 6 6 A C3' C 13 72.520 0.05 . 1 . . . . A 6 A C3' . 34991 2 87 . 1 . 1 6 6 A C4' C 13 81.950 0.04 . 1 . . . . A 6 A C4' . 34991 2 88 . 1 . 1 6 6 A C5' C 13 64.770 0.05 . 1 . . . . A 6 A C5' . 34991 2 89 . 1 . 1 6 6 A C8 C 13 139.545 0.05 . 1 . . . . A 6 A C8 . 34991 2 90 . 1 . 1 7 7 C H1' H 1 5.378 0.00 . 1 . . . . A 7 C H1' . 34991 2 91 . 1 . 1 7 7 C H2' H 1 4.336 0.00 . 1 . . . . A 7 C H2' . 34991 2 92 . 1 . 1 7 7 C H3' H 1 4.191 0.00 . 1 . . . . A 7 C H3' . 34991 2 93 . 1 . 1 7 7 C H4' H 1 4.339 0.00 . 1 . . . . A 7 C H4' . 34991 2 94 . 1 . 1 7 7 C H5 H 1 5.032 0.00 . 1 . . . . A 7 C H5 . 34991 2 95 . 1 . 1 7 7 C H5' H 1 4.472 0.00 . . . . . . A 7 C H5' . 34991 2 96 . 1 . 1 7 7 C H5'' H 1 4.029 0.00 . . . . . . A 7 C H5'' . 34991 2 97 . 1 . 1 7 7 C H6 H 1 7.238 0.00 . 1 . . . . A 7 C H6 . 34991 2 98 . 1 . 1 7 7 C H41 H 1 8.207 0.00 . . . . . . A 7 C H41 . 34991 2 99 . 1 . 1 7 7 C H42 H 1 6.920 0.00 . . . . . . A 7 C H42 . 34991 2 100 . 1 . 1 7 7 C C1' C 13 93.552 0.03 . 1 . . . . A 7 C C1' . 34991 2 101 . 1 . 1 7 7 C C2' C 13 75.737 0.01 . 1 . . . . A 7 C C2' . 34991 2 102 . 1 . 1 7 7 C C3' C 13 72.323 0.02 . 1 . . . . A 7 C C3' . 34991 2 103 . 1 . 1 7 7 C C4' C 13 82.005 0.01 . 1 . . . . A 7 C C4' . 34991 2 104 . 1 . 1 7 7 C C5' C 13 64.642 0.01 . 1 . . . . A 7 C C5' . 34991 2 105 . 1 . 1 7 7 C C6 C 13 140.227 0.01 . 1 . . . . A 7 C C6 . 34991 2 106 . 1 . 1 7 7 C N4 N 15 98.556 0.02 . 1 . . . . A 7 C N4 . 34991 2 107 . 1 . 1 8 8 C H1' H 1 5.608 0.00 . 1 . . . . A 8 C H1' . 34991 2 108 . 1 . 1 8 8 C H2' H 1 4.372 0.00 . 1 . . . . A 8 C H2' . 34991 2 109 . 1 . 1 8 8 C H3' H 1 4.494 0.00 . 1 . . . . A 8 C H3' . 34991 2 110 . 1 . 1 8 8 C H4' H 1 4.320 0.00 . 1 . . . . A 8 C H4' . 34991 2 111 . 1 . 1 8 8 C H5 H 1 5.638 0.00 . 1 . . . . A 8 C H5 . 34991 2 112 . 1 . 1 8 8 C H5' H 1 4.360 0.00 . . . . . . A 8 C H5' . 34991 2 113 . 1 . 1 8 8 C H5'' H 1 4.052 0.00 . . . . . . A 8 C H5'' . 34991 2 114 . 1 . 1 8 8 C H6 H 1 7.732 0.01 . 1 . . . . A 8 C H6 . 34991 2 115 . 1 . 1 8 8 C C1' C 13 93.840 0.03 . 1 . . . . A 8 C C1' . 34991 2 116 . 1 . 1 8 8 C C2' C 13 75.858 0.03 . 1 . . . . A 8 C C2' . 34991 2 117 . 1 . 1 8 8 C C3' C 13 73.510 0.04 . 1 . . . . A 8 C C3' . 34991 2 118 . 1 . 1 8 8 C C4' C 13 82.606 0.04 . 1 . . . . A 8 C C4' . 34991 2 119 . 1 . 1 8 8 C C5' C 13 65.019 0.00 . 1 . . . . A 8 C C5' . 34991 2 120 . 1 . 1 8 8 C C6 C 13 141.413 0.02 . 1 . . . . A 8 C C6 . 34991 2 121 . 1 . 1 9 9 U H1' H 1 5.666 0.00 . 1 . . . . A 9 U H1' . 34991 2 122 . 1 . 1 9 9 U H2' H 1 4.230 0.00 . 1 . . . . A 9 U H2' . 34991 2 123 . 1 . 1 9 9 U H3' H 1 4.431 0.00 . 1 . . . . A 9 U H3' . 34991 2 124 . 1 . 1 9 9 U H4' H 1 4.144 0.00 . 1 . . . . A 9 U H4' . 34991 2 125 . 1 . 1 9 9 U H5 H 1 5.741 0.01 . 1 . . . . A 9 U H5 . 34991 2 126 . 1 . 1 9 9 U H5' H 1 4.108 0.00 . . . . . . A 9 U H5' . 34991 2 127 . 1 . 1 9 9 U H5'' H 1 3.966 0.00 . . . . . . A 9 U H5'' . 34991 2 128 . 1 . 1 9 9 U H6 H 1 7.784 0.00 . 1 . . . . A 9 U H6 . 34991 2 129 . 1 . 1 9 9 U C1' C 13 91.004 0.04 . 1 . . . . A 9 U C1' . 34991 2 130 . 1 . 1 9 9 U C2' C 13 75.409 0.01 . 1 . . . . A 9 U C2' . 34991 2 131 . 1 . 1 9 9 U C3' C 13 76.288 0.02 . 1 . . . . A 9 U C3' . 34991 2 132 . 1 . 1 9 9 U C4' C 13 84.619 0.01 . 1 . . . . A 9 U C4' . 34991 2 133 . 1 . 1 9 9 U C5' C 13 66.746 0.00 . 1 . . . . A 9 U C5' . 34991 2 134 . 1 . 1 9 9 U C6 C 13 143.557 0.04 . 1 . . . . A 9 U C6 . 34991 2 135 . 1 . 1 10 10 A H1' H 1 5.775 0.01 . 1 . . . . A 10 A H1' . 34991 2 136 . 1 . 1 10 10 A H2 H 1 8.030 0.00 . 1 . . . . A 10 A H2 . 34991 2 137 . 1 . 1 10 10 A H2' H 1 4.540 0.01 . 1 . . . . A 10 A H2' . 34991 2 138 . 1 . 1 10 10 A H3' H 1 4.548 0.02 . 1 . . . . A 10 A H3' . 34991 2 139 . 1 . 1 10 10 A H4' H 1 4.140 0.00 . 1 . . . . A 10 A H4' . 34991 2 140 . 1 . 1 10 10 A H5' H 1 4.049 0.01 . . . . . . A 10 A H5' . 34991 2 141 . 1 . 1 10 10 A H5'' H 1 3.940 0.00 . . . . . . A 10 A H5'' . 34991 2 142 . 1 . 1 10 10 A H8 H 1 8.146 0.00 . 1 . . . . A 10 A H8 . 34991 2 143 . 1 . 1 10 10 A C1' C 13 91.241 0.00 . 1 . . . . A 10 A C1' . 34991 2 144 . 1 . 1 10 10 A C2 C 13 154.987 0.00 . 1 . . . . A 10 A C2 . 34991 2 145 . 1 . 1 10 10 A C2' C 13 77.031 0.00 . 1 . . . . A 10 A C2' . 34991 2 146 . 1 . 1 10 10 A C3' C 13 76.790 0.00 . 1 . . . . A 10 A C3' . 34991 2 147 . 1 . 1 10 10 A C4' C 13 85.460 0.01 . 1 . . . . A 10 A C4' . 34991 2 148 . 1 . 1 10 10 A C5' C 13 67.081 0.00 . 1 . . . . A 10 A C5' . 34991 2 149 . 1 . 1 10 10 A C8 C 13 141.529 0.02 . 1 . . . . A 10 A C8 . 34991 2 150 . 1 . 1 11 11 C H1' H 1 5.796 0.01 . 1 . . . . A 11 C H1' . 34991 2 151 . 1 . 1 11 11 C H2' H 1 4.391 0.00 . 1 . . . . A 11 C H2' . 34991 2 152 . 1 . 1 11 11 C H3' H 1 4.661 0.00 . 1 . . . . A 11 C H3' . 34991 2 153 . 1 . 1 11 11 C H4' H 1 4.392 0.00 . 1 . . . . A 11 C H4' . 34991 2 154 . 1 . 1 11 11 C H5 H 1 5.730 0.03 . 1 . . . . A 11 C H5 . 34991 2 155 . 1 . 1 11 11 C H5' H 1 4.198 0.00 . . . . . . A 11 C H5' . 34991 2 156 . 1 . 1 11 11 C H5'' H 1 4.074 0.00 . . . . . . A 11 C H5'' . 34991 2 157 . 1 . 1 11 11 C H6 H 1 7.697 0.00 . 1 . . . . A 11 C H6 . 34991 2 158 . 1 . 1 11 11 C C1' C 13 91.756 0.04 . 1 . . . . A 11 C C1' . 34991 2 159 . 1 . 1 11 11 C C2' C 13 76.048 0.00 . 1 . . . . A 11 C C2' . 34991 2 160 . 1 . 1 11 11 C C3' C 13 75.610 0.00 . 1 . . . . A 11 C C3' . 34991 2 161 . 1 . 1 11 11 C C4' C 13 84.071 0.00 . 1 . . . . A 11 C C4' . 34991 2 162 . 1 . 1 11 11 C C5' C 13 67.035 0.01 . 1 . . . . A 11 C C5' . 34991 2 163 . 1 . 1 11 11 C C6 C 13 143.360 0.06 . 1 . . . . A 11 C C6 . 34991 2 164 . 1 . 1 12 12 A H1' H 1 5.966 0.01 . 1 . . . . A 12 A H1' . 34991 2 165 . 1 . 1 12 12 A H2 H 1 8.065 0.01 . 1 . . . . A 12 A H2 . 34991 2 166 . 1 . 1 12 12 A H2' H 1 4.844 0.00 . 1 . . . . A 12 A H2' . 34991 2 167 . 1 . 1 12 12 A H3' H 1 4.620 0.00 . 1 . . . . A 12 A H3' . 34991 2 168 . 1 . 1 12 12 A H4' H 1 4.569 0.00 . 1 . . . . A 12 A H4' . 34991 2 169 . 1 . 1 12 12 A H5' H 1 4.352 0.00 . . . . . . A 12 A H5' . 34991 2 170 . 1 . 1 12 12 A H5'' H 1 4.313 0.01 . . . . . . A 12 A H5'' . 34991 2 171 . 1 . 1 12 12 A H8 H 1 8.459 0.01 . 1 . . . . A 12 A H8 . 34991 2 172 . 1 . 1 12 12 A C1' C 13 91.847 0.00 . 1 . . . . A 12 A C1' . 34991 2 173 . 1 . 1 12 12 A C2 C 13 152.265 0.00 . 1 . . . . A 12 A C2 . 34991 2 174 . 1 . 1 12 12 A C2' C 13 75.907 0.00 . 1 . . . . A 12 A C2' . 34991 2 175 . 1 . 1 12 12 A C3' C 13 75.289 0.00 . 1 . . . . A 12 A C3' . 34991 2 176 . 1 . 1 12 12 A C4' C 13 83.686 0.01 . 1 . . . . A 12 A C4' . 34991 2 177 . 1 . 1 12 12 A C5' C 13 67.803 0.01 . 1 . . . . A 12 A C5' . 34991 2 178 . 1 . 1 12 12 A C8 C 13 142.212 0.01 . 1 . . . . A 12 A C8 . 34991 2 179 . 1 . 1 13 13 G H1 H 1 13.092 0.00 . 1 . . . . A 13 G H1 . 34991 2 180 . 1 . 1 13 13 G H1' H 1 5.314 0.02 . 1 . . . . A 13 G H1' . 34991 2 181 . 1 . 1 13 13 G H2' H 1 4.532 0.01 . 1 . . . . A 13 G H2' . 34991 2 182 . 1 . 1 13 13 G H3' H 1 4.386 0.00 . 1 . . . . A 13 G H3' . 34991 2 183 . 1 . 1 13 13 G H4' H 1 4.476 0.00 . 1 . . . . A 13 G H4' . 34991 2 184 . 1 . 1 13 13 G H5' H 1 4.383 0.00 . . . . . . A 13 G H5' . 34991 2 185 . 1 . 1 13 13 G H5'' H 1 4.148 0.00 . . . . . . A 13 G H5'' . 34991 2 186 . 1 . 1 13 13 G H8 H 1 7.463 0.00 . 1 . . . . A 13 G H8 . 34991 2 187 . 1 . 1 13 13 G C1' C 13 92.920 0.03 . 1 . . . . A 13 G C1' . 34991 2 188 . 1 . 1 13 13 G C2' C 13 74.929 0.03 . 1 . . . . A 13 G C2' . 34991 2 189 . 1 . 1 13 13 G C3' C 13 73.666 0.05 . 1 . . . . A 13 G C3' . 34991 2 190 . 1 . 1 13 13 G C4' C 13 82.757 0.00 . 1 . . . . A 13 G C4' . 34991 2 191 . 1 . 1 13 13 G C5' C 13 66.697 0.01 . 1 . . . . A 13 G C5' . 34991 2 192 . 1 . 1 13 13 G C8 C 13 136.967 0.03 . 1 . . . . A 13 G C8 . 34991 2 193 . 1 . 1 13 13 G N1 N 15 148.470 0.01 . 1 . . . . A 13 G N1 . 34991 2 194 . 1 . 1 14 14 U H1' H 1 5.589 0.01 . 1 . . . . A 14 U H1' . 34991 2 195 . 1 . 1 14 14 U H2' H 1 4.672 0.00 . 1 . . . . A 14 U H2' . 34991 2 196 . 1 . 1 14 14 U H3 H 1 13.598 0.00 . 1 . . . . A 14 U H3 . 34991 2 197 . 1 . 1 14 14 U H3' H 1 4.534 0.01 . 1 . . . . A 14 U H3' . 34991 2 198 . 1 . 1 14 14 U H4' H 1 4.465 0.00 . 1 . . . . A 14 U H4' . 34991 2 199 . 1 . 1 14 14 U H5 H 1 5.106 0.00 . 1 . . . . A 14 U H5 . 34991 2 200 . 1 . 1 14 14 U H5' H 1 4.548 0.01 . . . . . . A 14 U H5' . 34991 2 201 . 1 . 1 14 14 U H5'' H 1 4.121 0.00 . . . . . . A 14 U H5'' . 34991 2 202 . 1 . 1 14 14 U H6 H 1 7.717 0.01 . 1 . . . . A 14 U H6 . 34991 2 203 . 1 . 1 14 14 U C1' C 13 93.690 0.04 . 1 . . . . A 14 U C1' . 34991 2 204 . 1 . 1 14 14 U C2' C 13 75.324 0.05 . 1 . . . . A 14 U C2' . 34991 2 205 . 1 . 1 14 14 U C3' C 13 72.314 0.08 . 1 . . . . A 14 U C3' . 34991 2 206 . 1 . 1 14 14 U C4' C 13 82.193 0.01 . 1 . . . . A 14 U C4' . 34991 2 207 . 1 . 1 14 14 U C5' C 13 64.684 0.00 . 1 . . . . A 14 U C5' . 34991 2 208 . 1 . 1 14 14 U C6 C 13 141.487 0.02 . 1 . . . . A 14 U C6 . 34991 2 209 . 1 . 1 14 14 U N3 N 15 162.036 0.00 . 1 . . . . A 14 U N3 . 34991 2 210 . 1 . 1 15 15 G H1 H 1 11.677 0.00 . 1 . . . . A 15 G H1 . 34991 2 211 . 1 . 1 15 15 G H1' H 1 5.762 0.00 . 1 . . . . A 15 G H1' . 34991 2 212 . 1 . 1 15 15 G H2' H 1 4.596 0.00 . 1 . . . . A 15 G H2' . 34991 2 213 . 1 . 1 15 15 G H3' H 1 4.636 0.00 . 1 . . . . A 15 G H3' . 34991 2 214 . 1 . 1 15 15 G H4' H 1 4.524 0.01 . 1 . . . . A 15 G H4' . 34991 2 215 . 1 . 1 15 15 G H5' H 1 4.508 0.00 . . . . . . A 15 G H5' . 34991 2 216 . 1 . 1 15 15 G H5'' H 1 4.170 0.00 . . . . . . A 15 G H5'' . 34991 2 217 . 1 . 1 15 15 G H8 H 1 7.691 0.00 . 1 . . . . A 15 G H8 . 34991 2 218 . 1 . 1 15 15 G C1' C 13 92.523 0.03 . 1 . . . . A 15 G C1' . 34991 2 219 . 1 . 1 15 15 G C2' C 13 75.535 0.03 . 1 . . . . A 15 G C2' . 34991 2 220 . 1 . 1 15 15 G C3' C 13 73.278 0.03 . 1 . . . . A 15 G C3' . 34991 2 221 . 1 . 1 15 15 G C4' C 13 82.080 0.01 . 1 . . . . A 15 G C4' . 34991 2 222 . 1 . 1 15 15 G C5' C 13 65.925 0.02 . 1 . . . . A 15 G C5' . 34991 2 223 . 1 . 1 15 15 G C8 C 13 136.327 0.03 . 1 . . . . A 15 G C8 . 34991 2 224 . 1 . 1 15 15 G N1 N 15 146.279 0.02 . 1 . . . . A 15 G N1 . 34991 2 225 . 1 . 1 16 16 A H1' H 1 5.816 0.00 . 1 . . . . A 16 A H1' . 34991 2 226 . 1 . 1 16 16 A H2 H 1 7.063 0.00 . 1 . . . . A 16 A H2 . 34991 2 227 . 1 . 1 16 16 A H2' H 1 4.554 0.00 . 1 . . . . A 16 A H2' . 34991 2 228 . 1 . 1 16 16 A H3' H 1 4.663 0.00 . 1 . . . . A 16 A H3' . 34991 2 229 . 1 . 1 16 16 A H4' H 1 4.507 0.00 . 1 . . . . A 16 A H4' . 34991 2 230 . 1 . 1 16 16 A H5' H 1 4.578 0.00 . . . . . . A 16 A H5' . 34991 2 231 . 1 . 1 16 16 A H5'' H 1 4.149 0.01 . . . . . . A 16 A H5'' . 34991 2 232 . 1 . 1 16 16 A H8 H 1 7.779 0.01 . 1 . . . . A 16 A H8 . 34991 2 233 . 1 . 1 16 16 A C1' C 13 92.926 0.04 . 1 . . . . A 16 A C1' . 34991 2 234 . 1 . 1 16 16 A C2 C 13 152.933 0.00 . 1 . . . . A 16 A C2 . 34991 2 235 . 1 . 1 16 16 A C2' C 13 75.586 0.04 . 1 . . . . A 16 A C2' . 34991 2 236 . 1 . 1 16 16 A C3' C 13 72.926 0.03 . 1 . . . . A 16 A C3' . 34991 2 237 . 1 . 1 16 16 A C4' C 13 82.120 0.01 . 1 . . . . A 16 A C4' . 34991 2 238 . 1 . 1 16 16 A C5' C 13 65.278 0.03 . 1 . . . . A 16 A C5' . 34991 2 239 . 1 . 1 16 16 A C8 C 13 139.486 0.04 . 1 . . . . A 16 A C8 . 34991 2 240 . 1 . 1 17 17 A H1' H 1 5.878 0.00 . 1 . . . . A 17 A H1' . 34991 2 241 . 1 . 1 17 17 A H2 H 1 7.777 0.00 . 1 . . . . A 17 A H2 . 34991 2 242 . 1 . 1 17 17 A H2' H 1 4.485 0.01 . 1 . . . . A 17 A H2' . 34991 2 243 . 1 . 1 17 17 A H3' H 1 4.558 0.01 . 1 . . . . A 17 A H3' . 34991 2 244 . 1 . 1 17 17 A H5' H 1 4.559 0.00 . . . . . . A 17 A H5' . 34991 2 245 . 1 . 1 17 17 A H5'' H 1 4.109 0.00 . . . . . . A 17 A H5'' . 34991 2 246 . 1 . 1 17 17 A H8 H 1 7.773 0.00 . 1 . . . . A 17 A H8 . 34991 2 247 . 1 . 1 17 17 A C1' C 13 92.751 0.04 . 1 . . . . A 17 A C1' . 34991 2 248 . 1 . 1 17 17 A C2 C 13 153.917 0.00 . 1 . . . . A 17 A C2 . 34991 2 249 . 1 . 1 17 17 A C2' C 13 75.524 0.02 . 1 . . . . A 17 A C2' . 34991 2 250 . 1 . 1 17 17 A C3' C 13 72.606 0.06 . 1 . . . . A 17 A C3' . 34991 2 251 . 1 . 1 17 17 A C5' C 13 64.944 0.00 . 1 . . . . A 17 A C5' . 34991 2 252 . 1 . 1 17 17 A C8 C 13 138.965 0.04 . 1 . . . . A 17 A C8 . 34991 2 253 . 1 . 1 18 18 C H1' H 1 5.361 0.00 . 1 . . . . A 18 C H1' . 34991 2 254 . 1 . 1 18 18 C H2' H 1 4.065 0.00 . 1 . . . . A 18 C H2' . 34991 2 255 . 1 . 1 18 18 C H3' H 1 4.331 0.00 . 1 . . . . A 18 C H3' . 34991 2 256 . 1 . 1 18 18 C H4' H 1 4.562 0.00 . 1 . . . . A 18 C H4' . 34991 2 257 . 1 . 1 18 18 C H5 H 1 5.176 0.00 . 1 . . . . A 18 C H5 . 34991 2 258 . 1 . 1 18 18 C H5' H 1 4.489 0.01 . . . . . . A 18 C H5' . 34991 2 259 . 1 . 1 18 18 C H5'' H 1 4.000 0.00 . . . . . . A 18 C H5'' . 34991 2 260 . 1 . 1 18 18 C H6 H 1 7.406 0.00 . 1 . . . . A 18 C H6 . 34991 2 261 . 1 . 1 18 18 C H41 H 1 8.362 0.00 . . . . . . A 18 C H41 . 34991 2 262 . 1 . 1 18 18 C H42 H 1 6.991 0.03 . . . . . . A 18 C H42 . 34991 2 263 . 1 . 1 18 18 C C1' C 13 94.231 0.03 . 1 . . . . A 18 C C1' . 34991 2 264 . 1 . 1 18 18 C C2' C 13 75.743 0.01 . 1 . . . . A 18 C C2' . 34991 2 265 . 1 . 1 18 18 C C3' C 13 72.295 0.02 . 1 . . . . A 18 C C3' . 34991 2 266 . 1 . 1 18 18 C C4' C 13 82.069 0.00 . 1 . . . . A 18 C C4' . 34991 2 267 . 1 . 1 18 18 C C5' C 13 64.651 0.00 . 1 . . . . A 18 C C5' . 34991 2 268 . 1 . 1 18 18 C C6 C 13 140.681 0.01 . 1 . . . . A 18 C C6 . 34991 2 269 . 1 . 1 18 18 C N4 N 15 98.628 0.02 . 1 . . . . A 18 C N4 . 34991 2 270 . 1 . 1 19 19 C H1' H 1 6.111 0.00 . 1 . . . . A 19 C H1' . 34991 2 271 . 1 . 1 19 19 C H2' H 1 4.629 0.00 . 1 . . . . A 19 C H2' . 34991 2 272 . 1 . 1 19 19 C H3' H 1 4.934 0.00 . 1 . . . . A 19 C H3' . 34991 2 273 . 1 . 1 19 19 C H4' H 1 4.401 0.00 . 1 . . . . A 19 C H4' . 34991 2 274 . 1 . 1 19 19 C H5 H 1 5.471 0.00 . 1 . . . . A 19 C H5 . 34991 2 275 . 1 . 1 19 19 C H5' H 1 4.501 0.00 . . . . . . A 19 C H5' . 34991 2 276 . 1 . 1 19 19 C H5'' H 1 4.073 0.01 . . . . . . A 19 C H5'' . 34991 2 277 . 1 . 1 19 19 C H6 H 1 7.452 0.00 . 1 . . . . A 19 C H6 . 34991 2 278 . 1 . 1 19 19 C H41 H 1 8.525 0.00 . . . . . . A 19 C H41 . 34991 2 279 . 1 . 1 19 19 C C1' C 13 91.973 0.02 . 1 . . . . A 19 C C1' . 34991 2 280 . 1 . 1 19 19 C C2' C 13 85.175 0.04 . 1 . . . . A 19 C C2' . 34991 2 281 . 1 . 1 19 19 C C3' C 13 77.956 0.02 . 1 . . . . A 19 C C3' . 34991 2 282 . 1 . 1 19 19 C C4' C 13 85.526 0.01 . 1 . . . . A 19 C C4' . 34991 2 283 . 1 . 1 19 19 C C5' C 13 65.760 0.01 . 1 . . . . A 19 C C5' . 34991 2 284 . 1 . 1 19 19 C C6 C 13 141.771 0.01 . 1 . . . . A 19 C C6 . 34991 2 285 . 1 . 1 19 19 C N4 N 15 98.902 0.01 . 1 . . . . A 19 C N4 . 34991 2 stop_ save_