################################### # 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 4547 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _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 $sample_1 . 4547 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 DA H2 H 1 8.037 . . 1 . . . . . . . . 4547 1 2 . 1 1 1 1 DA H8 H 1 8.234 . . 1 . . . . . . . . 4547 1 3 . 1 1 1 1 DA H1' H 1 6.252 . . 1 . . . . . . . . 4547 1 4 . 1 1 1 1 DA H2' H 1 2.720 . . 1 . . . . . . . . 4547 1 5 . 1 1 1 1 DA H2'' H 1 2.838 . . 1 . . . . . . . . 4547 1 6 . 1 1 1 1 DA H3' H 1 4.867 . . 1 . . . . . . . . 4547 1 7 . 1 1 1 1 DA H4' H 1 4.268 . . 1 . . . . . . . . 4547 1 8 . 1 1 1 1 DA H5' H 1 3.842 . . 2 . . . . . . . . 4547 1 9 . 1 1 1 1 DA H5'' H 1 3.842 . . 2 . . . . . . . . 4547 1 10 . 1 1 2 2 DT H6 H 1 7.480 . . 1 . . . . . . . . 4547 1 11 . 1 1 2 2 DT H71 H 1 1.487 . . 1 . . . . . . . . 4547 1 12 . 1 1 2 2 DT H72 H 1 1.487 . . 1 . . . . . . . . 4547 1 13 . 1 1 2 2 DT H73 H 1 1.487 . . 1 . . . . . . . . 4547 1 14 . 1 1 2 2 DT H1' H 1 6.090 . . 1 . . . . . . . . 4547 1 15 . 1 1 2 2 DT H2' H 1 2.356 . . 1 . . . . . . . . 4547 1 16 . 1 1 2 2 DT H2'' H 1 2.627 . . 1 . . . . . . . . 4547 1 17 . 1 1 2 2 DT H3' H 1 4.916 . . 1 . . . . . . . . 4547 1 18 . 1 1 2 2 DT H4' H 1 4.326 . . 1 . . . . . . . . 4547 1 19 . 1 1 2 2 DT H5' H 1 4.196 . . 2 . . . . . . . . 4547 1 20 . 1 1 2 2 DT H5'' H 1 4.146 . . 2 . . . . . . . . 4547 1 21 . 1 1 2 2 DT P P 31 -0.53 . . 1 . . . . . . . . 4547 1 22 . 1 1 3 3 DG H1 H 1 12.45 . . 1 . . . . . . . . 4547 1 23 . 1 1 3 3 DG H8 H 1 7.776 . . 1 . . . . . . . . 4547 1 24 . 1 1 3 3 DG H1' H 1 5.948 . . 1 . . . . . . . . 4547 1 25 . 1 1 3 3 DG H2' H 1 2.625 . . 1 . . . . . . . . 4547 1 26 . 1 1 3 3 DG H2'' H 1 2.768 . . 1 . . . . . . . . 4547 1 27 . 1 1 3 3 DG H3' H 1 4.961 . . 1 . . . . . . . . 4547 1 28 . 1 1 3 3 DG H4' H 1 4.416 . . 1 . . . . . . . . 4547 1 29 . 1 1 3 3 DG H5' H 1 4.203 . . 2 . . . . . . . . 4547 1 30 . 1 1 3 3 DG H5'' H 1 4.203 . . 2 . . . . . . . . 4547 1 31 . 1 1 3 3 DG P P 31 -0.44 . . 1 . . . . . . . . 4547 1 32 . 1 1 4 4 DG H1 H 1 12.90 . . 1 . . . . . . . . 4547 1 33 . 1 1 4 4 DG H8 H 1 7.519 . . 1 . . . . . . . . 4547 1 34 . 1 1 4 4 DG H1' H 1 5.974 . . 1 . . . . . . . . 4547 1 35 . 1 1 4 4 DG H2' H 1 2.619 . . 1 . . . . . . . . 4547 1 36 . 1 1 4 4 DG H2'' H 1 2.706 . . 1 . . . . . . . . 4547 1 37 . 1 1 4 4 DG H3' H 1 4.982 . . 1 . . . . . . . . 4547 1 38 . 1 1 4 4 DG H4' H 1 4.434 . . 1 . . . . . . . . 4547 1 39 . 1 1 4 4 DG H5' H 1 4.225 . . 2 . . . . . . . . 4547 1 40 . 1 1 4 4 DG H5'' H 1 4.225 . . 2 . . . . . . . . 4547 1 41 . 1 1 4 4 DG P P 31 -0.42 . . 1 . . . . . . . . 4547 1 42 . 1 1 5 5 T3P H3 H 1 13.29 . . 1 . . . . . . . . 4547 1 43 . 1 1 5 5 T3P H6 H 1 7.403 . . 1 . . . . . . . . 4547 1 44 . 1 1 5 5 T3P H51 H 1 1.295 . . 1 . . . . . . . . 4547 1 45 . 1 1 5 5 T3P H52 H 1 1.295 . . 1 . . . . . . . . 4547 1 46 . 1 1 5 5 T3P H53 H 1 1.295 . . 1 . . . . . . . . 4547 1 47 . 1 1 5 5 T3P H1' H 1 6.342 . . 1 . . . . . . . . 4547 1 48 . 1 1 5 5 T3P H2' H 1 3.090 . . 1 . . . . . . . . 4547 1 49 . 1 1 5 5 T3P H2'' H 1 2.094 . . 1 . . . . . . . . 4547 1 50 . 1 1 5 5 T3P H3' H 1 5.096 . . 1 . . . . . . . . 4547 1 51 . 1 1 5 5 T3P H4' H 1 4.821 . . 1 . . . . . . . . 4547 1 52 . 1 1 5 5 T3P H5' H 1 4.100 . . 1 . . . . . . . . 4547 1 53 . 1 1 5 5 T3P H5'' H 1 3.945 . . 1 . . . . . . . . 4547 1 54 . 1 1 5 5 T3P P P 31 -1.92 . . 1 . . . . . . . . 4547 1 55 . 1 1 6 6 DG H1 H 1 12.38 . . 1 . . . . . . . . 4547 1 56 . 1 1 6 6 DG H8 H 1 7.622 . . 1 . . . . . . . . 4547 1 57 . 1 1 6 6 DG H1' H 1 6.025 . . 1 . . . . . . . . 4547 1 58 . 1 1 6 6 DG H2' H 1 2.779 . . 1 . . . . . . . . 4547 1 59 . 1 1 6 6 DG H2'' H 1 2.701 . . 1 . . . . . . . . 4547 1 60 . 1 1 6 6 DG H3' H 1 4.619 . . 1 . . . . . . . . 4547 1 61 . 1 1 6 6 DG H4' H 1 4.384 . . 1 . . . . . . . . 4547 1 62 . 1 1 6 6 DG H5' H 1 4.175 . . 2 . . . . . . . . 4547 1 63 . 1 1 6 6 DG H5'' H 1 4.175 . . 2 . . . . . . . . 4547 1 64 . 1 1 6 6 DG P P 31 0.52 . . 1 . . . . . . . . 4547 1 65 . 1 1 7 7 DC H41 H 1 8.39 . . 1 . . . . . . . . 4547 1 66 . 1 1 7 7 DC H42 H 1 6.58 . . 1 . . . . . . . . 4547 1 67 . 1 1 7 7 DC H5 H 1 5.117 . . 1 . . . . . . . . 4547 1 68 . 1 1 7 7 DC H6 H 1 7.444 . . 1 . . . . . . . . 4547 1 69 . 1 1 7 7 DC H1' H 1 5.846 . . 1 . . . . . . . . 4547 1 70 . 1 1 7 7 DC H2' H 1 2.331 . . 1 . . . . . . . . 4547 1 71 . 1 1 7 7 DC H2'' H 1 2.570 . . 1 . . . . . . . . 4547 1 72 . 1 1 7 7 DC H3' H 1 4.601 . . 1 . . . . . . . . 4547 1 73 . 1 1 7 7 DC H4' H 1 4.245 . . 1 . . . . . . . . 4547 1 74 . 1 1 7 7 DC H5' H 1 4.187 . . 2 . . . . . . . . 4547 1 75 . 1 1 7 7 DC H5'' H 1 4.126 . . 2 . . . . . . . . 4547 1 76 . 1 1 7 7 DC P P 31 -0.47 . . 1 . . . . . . . . 4547 1 77 . 1 1 8 8 DT H3 H 1 13.85 . . 1 . . . . . . . . 4547 1 78 . 1 1 8 8 DT H6 H 1 7.657 . . 1 . . . . . . . . 4547 1 79 . 1 1 8 8 DT H71 H 1 1.492 . . 1 . . . . . . . . 4547 1 80 . 1 1 8 8 DT H72 H 1 1.492 . . 1 . . . . . . . . 4547 1 81 . 1 1 8 8 DT H73 H 1 1.492 . . 1 . . . . . . . . 4547 1 82 . 1 1 8 8 DT H1' H 1 6.092 . . 1 . . . . . . . . 4547 1 83 . 1 1 8 8 DT H2' H 1 2.323 . . 1 . . . . . . . . 4547 1 84 . 1 1 8 8 DT H2'' H 1 2.614 . . 1 . . . . . . . . 4547 1 85 . 1 1 8 8 DT H3' H 1 4.838 . . 1 . . . . . . . . 4547 1 86 . 1 1 8 8 DT H4' H 1 4.224 . . 1 . . . . . . . . 4547 1 87 . 1 1 8 8 DT H5' H 1 4.186 . . 2 . . . . . . . . 4547 1 88 . 1 1 8 8 DT H5'' H 1 4.119 . . 2 . . . . . . . . 4547 1 89 . 1 1 8 8 DT P P 31 -0.96 . . 1 . . . . . . . . 4547 1 90 . 1 1 9 9 DC H41 H 1 8.22 . . 1 . . . . . . . . 4547 1 91 . 1 1 9 9 DC H42 H 1 6.85 . . 1 . . . . . . . . 4547 1 92 . 1 1 9 9 DC H5 H 1 5.630 . . 1 . . . . . . . . 4547 1 93 . 1 1 9 9 DC H6 H 1 7.623 . . 1 . . . . . . . . 4547 1 94 . 1 1 9 9 DC H1' H 1 6.264 . . 1 . . . . . . . . 4547 1 95 . 1 1 9 9 DC H2' H 1 2.171 . . 1 . . . . . . . . 4547 1 96 . 1 1 9 9 DC H2'' H 1 2.258 . . 1 . . . . . . . . 4547 1 97 . 1 1 9 9 DC H3' H 1 4.524 . . 1 . . . . . . . . 4547 1 98 . 1 1 9 9 DC H4' H 1 4.040 . . 1 . . . . . . . . 4547 1 99 . 1 1 9 9 DC H5' H 1 4.195 . . 2 . . . . . . . . 4547 1 100 . 1 1 9 9 DC H5'' H 1 4.093 . . 2 . . . . . . . . 4547 1 101 . 1 1 9 9 DC P P 31 -0.45 . . 1 . . . . . . . . 4547 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_chemical_shift_set_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_2 _Assigned_chem_shift_list.Entry_ID 4547 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _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 $sample_1 . 4547 2 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 . 2 2 1 1 G H8 H 1 7.970 . . 1 . . . . . . . . 4547 2 2 . 2 2 1 1 G H1' H 1 5.631 . . 1 . . . . . . . . 4547 2 3 . 2 2 1 1 G H2' H 1 4.814 . . 1 . . . . . . . . 4547 2 4 . 2 2 1 1 G H3' H 1 4.621 . . 1 . . . . . . . . 4547 2 5 . 2 2 1 1 G H4' H 1 4.338 . . 1 . . . . . . . . 4547 2 6 . 2 2 1 1 G H5' H 1 3.988 . . 1 . . . . . . . . 4547 2 7 . 2 2 1 1 G H5'' H 1 3.889 . . 1 . . . . . . . . 4547 2 8 . 2 2 2 2 A H2 H 1 7.742 . . 1 . . . . . . . . 4547 2 9 . 2 2 2 2 A H8 H 1 8.057 . . 1 . . . . . . . . 4547 2 10 . 2 2 2 2 A H1' H 1 6.034 . . 1 . . . . . . . . 4547 2 11 . 2 2 2 2 A H2' H 1 4.805 . . 1 . . . . . . . . 4547 2 12 . 2 2 2 2 A H3' H 1 4.743 . . 1 . . . . . . . . 4547 2 13 . 2 2 2 2 A H4' H 1 4.542 . . 1 . . . . . . . . 4547 2 14 . 2 2 2 2 A H5' H 1 4.272 . . 2 . . . . . . . . 4547 2 15 . 2 2 2 2 A H5'' H 1 4.272 . . 2 . . . . . . . . 4547 2 16 . 2 2 2 2 A P P 31 -0.11 . . 1 . . . . . . . . 4547 2 17 . 2 2 3 3 G H1 H 1 13.22 . . 1 . . . . . . . . 4547 2 18 . 2 2 3 3 G H8 H 1 7.255 . . 1 . . . . . . . . 4547 2 19 . 2 2 3 3 G H1' H 1 5.564 . . 1 . . . . . . . . 4547 2 20 . 2 2 3 3 G H2' H 1 4.448 . . 1 . . . . . . . . 4547 2 21 . 2 2 3 3 G H3' H 1 4.392 . . 1 . . . . . . . . 4547 2 22 . 2 2 3 3 G H4' H 1 4.471 . . 1 . . . . . . . . 4547 2 23 . 2 2 3 3 G H5' H 1 4.113 . . 2 . . . . . . . . 4547 2 24 . 2 2 3 3 G H5'' H 1 4.113 . . 2 . . . . . . . . 4547 2 25 . 2 2 3 3 G P P 31 -0.22 . . 1 . . . . . . . . 4547 2 26 . 2 2 4 4 C H41 H 1 8.34 . . 1 . . . . . . . . 4547 2 27 . 2 2 4 4 C H42 H 1 6.76 . . 1 . . . . . . . . 4547 2 28 . 2 2 4 4 C H5 H 1 5.194 . . 1 . . . . . . . . 4547 2 29 . 2 2 4 4 C H6 H 1 7.549 . . 1 . . . . . . . . 4547 2 30 . 2 2 4 4 C H1' H 1 5.409 . . 1 . . . . . . . . 4547 2 31 . 2 2 4 4 C H2' H 1 4.563 . . 1 . . . . . . . . 4547 2 32 . 2 2 4 4 C H3' H 1 4.468 . . 1 . . . . . . . . 4547 2 33 . 2 2 4 4 C H4' H 1 4.414 . . 1 . . . . . . . . 4547 2 34 . 2 2 4 4 C H5' H 1 4.084 . . 2 . . . . . . . . 4547 2 35 . 2 2 4 4 C H5'' H 1 4.084 . . 2 . . . . . . . . 4547 2 36 . 2 2 4 4 C P P 31 -0.66 . . 1 . . . . . . . . 4547 2 37 . 2 2 5 5 A H2 H 1 7.338 . . 1 . . . . . . . . 4547 2 38 . 2 2 5 5 A H8 H 1 8.037 . . 1 . . . . . . . . 4547 2 39 . 2 2 5 5 A H1' H 1 5.888 . . 1 . . . . . . . . 4547 2 40 . 2 2 5 5 A H2' H 1 4.598 . . 1 . . . . . . . . 4547 2 41 . 2 2 5 5 A H3' H 1 4.637 . . 1 . . . . . . . . 4547 2 42 . 2 2 5 5 A H4' H 1 4.471 . . 1 . . . . . . . . 4547 2 43 . 2 2 5 5 A H5' H 1 4.132 . . 2 . . . . . . . . 4547 2 44 . 2 2 5 5 A H5'' H 1 4.132 . . 2 . . . . . . . . 4547 2 45 . 2 2 5 5 A P P 31 -0.39 . . 1 . . . . . . . . 4547 2 46 . 2 2 6 6 C H41 H 1 8.31 . . 1 . . . . . . . . 4547 2 47 . 2 2 6 6 C H42 H 1 6.89 . . 1 . . . . . . . . 4547 2 48 . 2 2 6 6 C H5 H 1 5.238 . . 1 . . . . . . . . 4547 2 49 . 2 2 6 6 C H6 H 1 7.515 . . 1 . . . . . . . . 4547 2 50 . 2 2 6 6 C H1' H 1 5.303 . . 1 . . . . . . . . 4547 2 51 . 2 2 6 6 C H2' H 1 4.273 . . 1 . . . . . . . . 4547 2 52 . 2 2 6 6 C H3' H 1 4.350 . . 1 . . . . . . . . 4547 2 53 . 2 2 6 6 C H4' H 1 4.335 . . 1 . . . . . . . . 4547 2 54 . 2 2 6 6 C H5' H 1 4.051 . . 2 . . . . . . . . 4547 2 55 . 2 2 6 6 C H5'' H 1 4.051 . . 2 . . . . . . . . 4547 2 56 . 2 2 6 6 C P P 31 -0.65 . . 1 . . . . . . . . 4547 2 57 . 2 2 7 7 C H41 H 1 8.44 . . 1 . . . . . . . . 4547 2 58 . 2 2 7 7 C H42 H 1 6.99 . . 1 . . . . . . . . 4547 2 59 . 2 2 7 7 C H5 H 1 5.526 . . 1 . . . . . . . . 4547 2 60 . 2 2 7 7 C H6 H 1 7.753 . . 1 . . . . . . . . 4547 2 61 . 2 2 7 7 C H1' H 1 5.427 . . 1 . . . . . . . . 4547 2 62 . 2 2 7 7 C H2' H 1 4.361 . . 1 . . . . . . . . 4547 2 63 . 2 2 7 7 C H3' H 1 4.531 . . 1 . . . . . . . . 4547 2 64 . 2 2 7 7 C H4' H 1 4.527 . . 1 . . . . . . . . 4547 2 65 . 2 2 7 7 C H5' H 1 4.075 . . 2 . . . . . . . . 4547 2 66 . 2 2 7 7 C H5'' H 1 4.075 . . 2 . . . . . . . . 4547 2 67 . 2 2 7 7 C P P 31 -0.72 . . 1 . . . . . . . . 4547 2 68 . 2 2 8 8 A H2 H 1 7.640 . . 1 . . . . . . . . 4547 2 69 . 2 2 8 8 A H8 H 1 8.201 . . 1 . . . . . . . . 4547 2 70 . 2 2 8 8 A H1' H 1 5.991 . . 1 . . . . . . . . 4547 2 71 . 2 2 8 8 A H2' H 1 4.382 . . 1 . . . . . . . . 4547 2 72 . 2 2 8 8 A H3' H 1 4.711 . . 1 . . . . . . . . 4547 2 73 . 2 2 8 8 A H4' H 1 4.466 . . 1 . . . . . . . . 4547 2 74 . 2 2 8 8 A H5' H 1 4.133 . . 2 . . . . . . . . 4547 2 75 . 2 2 8 8 A H5'' H 1 4.133 . . 2 . . . . . . . . 4547 2 76 . 2 2 8 8 A P P 31 -0.49 . . 1 . . . . . . . . 4547 2 77 . 2 2 9 9 U H5 H 1 5.358 . . 1 . . . . . . . . 4547 2 78 . 2 2 9 9 U H6 H 1 7.577 . . 1 . . . . . . . . 4547 2 79 . 2 2 9 9 U H1' H 1 5.750 . . 1 . . . . . . . . 4547 2 80 . 2 2 9 9 U H2' H 1 4.042 . . 1 . . . . . . . . 4547 2 81 . 2 2 9 9 U H3' H 1 4.173 . . 1 . . . . . . . . 4547 2 82 . 2 2 9 9 U H4' H 1 4.382 . . 1 . . . . . . . . 4547 2 83 . 2 2 9 9 U P P 31 -0.43 . . 1 . . . . . . . . 4547 2 stop_ save_