data_19040 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; structure of 2'-5' AG1 lariat forming ribozyme in its inactive state ; _BMRB_accession_number 19040 _BMRB_flat_file_name bmr19040.str _Entry_type original _Submission_date 2013-02-18 _Accession_date 2013-02-18 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Carlomagno Teresa . . 2 Amata Irene . . 3 Codutti Luca . . 4 Falb Melanie . . 5 Fohrer Jorg . . 6 Simon Bernd . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 430 "13C chemical shifts" 347 "15N chemical shifts" 12 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-04-01 original author . stop_ _Original_release_date 2013-04-01 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title "Structural principles of RNA catalysis in a 2'-5' lariat-forming ribozyme" _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23472843 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Carlomagno Teresa . . 2 Amata Irene . . 3 Codutti Luca . . 4 Falb Melanie . . 5 Fohrer Jorg . . 6 Simon Bernd . . stop_ _Journal_abbreviation 'J. Am. Chem. Soc.' _Journal_volume 135 _Journal_issue 11 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 4403 _Page_last 4411 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name "2'-5' AG1 lariat forming ribozyme" _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'RNA (59-MER)' $RNA_(59-MER) stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_RNA_(59-MER) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common RNA_(59-MER) _Molecular_mass 19163.486 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 59 _Mol_residue_sequence ; XGAAGAAAGGGCUUCGGCCA CUCAAACUACAGAGACGCCA GUCACUCAGAUAUCCUGGU ; loop_ _Residue_seq_code _Residue_label 1 GTP 2 G 3 A 4 A 5 G 6 A 7 A 8 A 9 G 10 G 11 G 12 C 13 U 14 U 15 C 16 G 17 G 18 C 19 C 20 A 21 C 22 U 23 C 24 A 25 A 26 A 27 C 28 U 29 A 30 C 31 A 32 G 33 A 34 G 35 A 36 C 37 G 38 C 39 C 40 A 41 G 42 U 43 C 44 A 45 C 46 U 47 C 48 A 49 G 50 A 51 U 52 A 53 U 54 C 55 C 56 U 57 G 58 G 59 U stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ###################### # Polymer residues # ###################### save_chem_comp_GTP _Saveframe_category polymer_residue _Mol_type 'RNA LINKING' _Name_common GUANOSINE-5'-TRIPHOSPHATE _BMRB_code GTP _PDB_code GTP _Standard_residue_derivative . _Molecular_mass 523.180 _Mol_paramagnetic . _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C1' C1' C . 0 . ? C2 C2 C . 0 . ? C2' C2' C . 0 . ? C3' C3' C . 0 . ? C4 C4 C . 0 . ? C4' C4' C . 0 . ? C5 C5 C . 0 . ? C5' C5' C . 0 . ? C6 C6 C . 0 . ? C8 C8 C . 0 . ? H1' H1' H . 0 . ? H2' H2' H . 0 . ? H3' H3' H . 0 . ? H4' H4' H . 0 . ? H5' H5' H . 0 . ? H5'' H5'' H . 0 . ? H8 H8 H . 0 . ? HN1 HN1 H . 0 . ? HN21 HN21 H . 0 . ? HN22 HN22 H . 0 . ? HO2' HO2' H . 0 . ? HO3' HO3' H . 0 . ? HOA2 HOA2 H . 0 . ? HOB2 HOB2 H . 0 . ? HOG2 HOG2 H . 0 . ? HOG3 HOG3 H . 0 . ? N1 N1 N . 0 . ? N2 N2 N . 0 . ? N3 N3 N . 0 . ? N7 N7 N . 0 . ? N9 N9 N . 0 . ? O1A O1A O . 0 . ? O1B O1B O . 0 . ? O1G O1G O . 0 . ? O2' O2' O . 0 . ? O2A O2A O . 0 . ? O2B O2B O . 0 . ? O2G O2G O . 0 . ? O3' O3' O . 0 . ? O3A O3A O . 0 . ? O3B O3B O . 0 . ? O3G O3G O . 0 . ? O4' O4' O . 0 . ? O5' O5' O . 0 . ? O6 O6 O . 0 . ? PA PA P . 0 . ? PB PB P . 0 . ? PG PG P . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name DOUB PG O1G ? ? SING PG O2G ? ? SING PG O3G ? ? SING PG O3B ? ? SING O2G HOG2 ? ? SING O3G HOG3 ? ? SING O3B PB ? ? DOUB PB O1B ? ? SING PB O2B ? ? SING PB O3A ? ? SING O2B HOB2 ? ? SING O3A PA ? ? DOUB PA O1A ? ? SING PA O2A ? ? SING PA O5' ? ? SING O2A HOA2 ? ? SING O5' C5' ? ? SING C5' C4' ? ? SING C5' H5' ? ? SING C5' H5'' ? ? SING C4' O4' ? ? SING C4' C3' ? ? SING C4' H4' ? ? SING O4' C1' ? ? SING C3' O3' ? ? SING C3' C2' ? ? SING C3' H3' ? ? SING O3' HO3' ? ? SING C2' O2' ? ? SING C2' C1' ? ? SING C2' H2' ? ? SING O2' HO2' ? ? SING C1' N9 ? ? SING C1' H1' ? ? SING N9 C8 ? ? SING N9 C4 ? ? DOUB C8 N7 ? ? SING C8 H8 ? ? SING N7 C5 ? ? SING C5 C6 ? ? DOUB C5 C4 ? ? DOUB C6 O6 ? ? SING C6 N1 ? ? SING N1 C2 ? ? SING N1 HN1 ? ? SING C2 N2 ? ? DOUB C2 N3 ? ? SING N2 HN21 ? ? SING N2 HN22 ? ? SING N3 C4 ? ? stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $RNA_(59-MER) . . . . . . stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $RNA_(59-MER) 'enzymatic semisynthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details A-labelled loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling ADENOSINE-5'-MONOPHOSPHATE 400 uM '[U-100% 13C; U-100% 15N]' D2O 100 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling GUANOSINE-5'-MONOPHOSPHATE 300 uM '[U-100% 13C; U-100% 15N]' GUANOSINE-5'-TRIPHOSPHATE 300 uM '[U-100% 13C; U-100% 15N]' D2O 100 % 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling CYTIDINE-5'-MONOPHOSPHATE 500 uM '[U-100% 13C; U-100% 15N]' D2O 100 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling URIDINE-5'-MONOPHOSPHATE 300 uM '[U-100% 13C; U-100% 15N]' D2O 100 % 'natural abundance' stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling ADENOSINE-5'-MONOPHOSPHATE 500 uM '[U-100% 13C; U-100% 15N]' URIDINE-5'-MONOPHOSPHATE 500 uM '[U-100% 13C; U-100% 15N]' D2O 100 % 'natural abundance' stop_ save_ save_sample_6 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling ADENOSINE-5'-MONOPHOSPHATE 670 uM '[U-100% 13C; U-100% 15N]' URIDINE-5'-MONOPHOSPHATE 670 uM '[U-100% 13C; U-100% 15N]' CYTIDINE-5'-MONOPHOSPHATE 670 uM '[U-100% 13C; U-100% 15N]' GUANOSINE-5'-MONOPHOSPHATE 670 uM '[U-100% 13C; U-100% 15N]' D2O 100 % 'natural abundance' stop_ save_ save_sample_7 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling ADENOSINE-5'-MONOPHOSPHATE 300 uM 'natural abundance' URIDINE-5'-MONOPHOSPHATE 300 uM 'natural abundance' CYTIDINE-5'-MONOPHOSPHATE 300 uM 'natural abundance' GUANOSINE-5'-MONOPHOSPHATE 300 uM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_Felix _Saveframe_category software _Name Felix _Version . loop_ _Vendor _Address _Electronic_address 'Accelrys Software Inc.' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_ARIA _Saveframe_category software _Name ARIA _Version . loop_ _Vendor _Address _Electronic_address 'Linge, O'Donoghue and Nilges' . . stop_ loop_ _Task 'structure solution' refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_ribose_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC ribose' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_base_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC base' _Sample_label $sample_1 save_ save_2D_HNN-COSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HNN-COSY' _Sample_label $sample_6 save_ save_2D_imino_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D imino NOESY' _Sample_label $sample_7 save_ save_3D_HsCNb/HbCNb_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HsCNb/HbCNb' _Sample_label $sample_6 save_ save_3D_HCCH-COSY-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY-TOCSY' _Sample_label $sample_1 save_ save_3D_13C-edited/_12C-filtered_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-edited/ 12C-filtered NOESY' _Sample_label $sample_1 save_ save_3D_13C-edited/_13C-filtered_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-edited/ 13C-filtered NOESY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_ribose_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC ribose' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_base_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC base' _Sample_label $sample_2 save_ save_3D_HCCH-COSY-TOCSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY-TOCSY' _Sample_label $sample_2 save_ save_3D_13C-edited/_12C-filtered_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-edited/ 12C-filtered NOESY' _Sample_label $sample_2 save_ save_3D_13C-edited/_13C-filtered_NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-edited/ 13C-filtered NOESY' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_3 save_ save_2D_1H-13C_HSQC_ribose_17 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC ribose' _Sample_label $sample_3 save_ save_2D_1H-13C_HSQC_base_18 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC base' _Sample_label $sample_3 save_ save_3D_HCCH-COSY-TOCSY_19 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY-TOCSY' _Sample_label $sample_3 save_ save_3D_13C-edited/_12C-filtered_NOESY_20 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-edited/ 12C-filtered NOESY' _Sample_label $sample_3 save_ save_3D_13C-edited/_13C-filtered_NOESY_21 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-edited/ 13C-filtered NOESY' _Sample_label $sample_3 save_ save_2D_1H-15N_HSQC_22 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_4 save_ save_2D_1H-13C_HSQC_ribose_23 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC ribose' _Sample_label $sample_4 save_ save_2D_1H-13C_HSQC_base_24 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC base' _Sample_label $sample_4 save_ save_3D_HCCH-COSY-TOCSY_25 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY-TOCSY' _Sample_label $sample_4 save_ save_3D_13C-edited/_12C-filtered_NOESY_26 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-edited/ 12C-filtered NOESY' _Sample_label $sample_4 save_ save_3D_13C-edited/_13C-filtered_NOESY_27 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-edited/ 13C-filtered NOESY' _Sample_label $sample_4 save_ save_2D_1H-15N_HSQC_28 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_5 save_ save_2D_1H-13C_HSQC_ribose_29 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC ribose' _Sample_label $sample_5 save_ save_2D_1H-13C_HSQC_base_30 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC base' _Sample_label $sample_5 save_ save_3D_HCCH-COSY-TOCSY_31 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY-TOCSY' _Sample_label $sample_5 save_ save_3D_13C-edited/_12C-filtered_NOESY_32 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-edited/ 12C-filtered NOESY' _Sample_label $sample_5 save_ save_3D_13C-edited/_13C-filtered_NOESY_33 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-edited/ 13C-filtered NOESY' _Sample_label $sample_5 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 298 . K pH 6.6 . pH pressure 1 . atm 'ionic strength' 0.020 . M stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.00 internal direct . 'separate tube (no insert) similar to the experimental sample tube' . 1.000000000 DSS C 13 'methyl protons' ppm 0.00 na indirect . 'separate tube (no insert) similar to the experimental sample tube' . 0.251449530 DSS N 15 'methyl protons' ppm 0.00 na indirect . 'separate tube (no insert) similar to the experimental sample tube' . 0.101329118 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC ribose' '2D 1H-13C HSQC base' '2D HNN-COSY' '3D HCCH-COSY-TOCSY' '3D 13C-edited/ 12C-filtered NOESY' '3D 13C-edited/ 13C-filtered NOESY' stop_ loop_ _Sample_label $sample_1 $sample_6 $sample_2 $sample_3 $sample_4 $sample_5 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'RNA (59-MER)' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 GTP C1' C 91.099 0.10 1 2 1 1 GTP C2' C 75.699 0.10 1 3 1 1 GTP C3' C 75.499 0.10 1 4 1 1 GTP C4' C 84.399 0.10 1 5 1 1 GTP C5' C 67.699 0.10 1 6 1 1 GTP C8 C 139.599 0.10 1 7 1 1 GTP H1' H 5.723 0.05 1 8 1 1 GTP H2' H 4.723 0.05 1 9 1 1 GTP H3' H 4.683 0.05 1 10 1 1 GTP H4' H 4.473 0.05 1 11 1 1 GTP H5' H 4.273 0.05 2 12 1 1 GTP H5'' H 4.183 0.05 2 13 1 1 GTP H8 H 8.043 0.05 1 14 2 2 G H1' H 5.653 0.05 1 15 2 2 G H2' H 4.703 0.05 1 16 2 2 G H3' H 4.663 0.05 1 17 2 2 G H4' H 4.503 0.05 1 18 2 2 G H8 H 7.613 0.05 1 19 2 2 G C1' C 91.399 0.10 1 20 2 2 G C2' C 75.199 0.10 1 21 2 2 G C3' C 75.199 0.10 1 22 2 2 G C8 C 138.599 0.10 1 23 3 3 A H1' H 5.833 0.05 1 24 3 3 A H2 H 7.863 0.05 1 25 3 3 A H2' H 4.673 0.05 1 26 3 3 A H3' H 4.713 0.05 1 27 3 3 A H4' H 4.483 0.05 1 28 3 3 A H5' H 4.343 0.05 2 29 3 3 A H5'' H 4.173 0.05 2 30 3 3 A H8 H 8.123 0.05 1 31 3 3 A C1' C 90.899 0.10 1 32 3 3 A C2 C 154.699 0.10 1 33 3 3 A C2' C 75.799 0.10 1 34 3 3 A C3' C 75.499 0.10 1 35 3 3 A C4' C 84.199 0.10 1 36 3 3 A C5' C 66.999 0.10 1 37 3 3 A C8 C 140.999 0.10 1 38 4 4 A H1' H 5.773 0.05 1 39 4 4 A H2 H 7.853 0.05 1 40 4 4 A H2' H 4.583 0.05 1 41 4 4 A H3' H 4.693 0.05 1 42 4 4 A H4' H 4.483 0.05 1 43 4 4 A H5' H 4.343 0.05 2 44 4 4 A H5'' H 4.183 0.05 2 45 4 4 A H8 H 8.033 0.05 1 46 4 4 A C1' C 90.999 0.10 1 47 4 4 A C2' C 75.799 0.10 1 48 4 4 A C3' C 75.599 0.10 1 49 4 4 A C4' C 84.099 0.10 1 50 4 4 A C5' C 66.999 0.10 1 51 4 4 A C8 C 140.699 0.10 1 52 5 5 G H1' H 5.503 0.05 1 53 5 5 G H2' H 4.623 0.05 1 54 5 5 G H3' H 4.673 0.05 1 55 5 5 G H4' H 4.473 0.05 1 56 5 5 G H5' H 4.303 0.05 2 57 5 5 G H5'' H 4.113 0.05 2 58 5 5 G H8 H 7.643 0.05 1 59 5 5 G C1' C 90.999 0.10 1 60 5 5 G C2' C 75.499 0.10 1 61 5 5 G C4' C 84.199 0.10 1 62 5 5 G C5' C 67.299 0.10 1 63 5 5 G C8 C 138.399 0.10 1 64 6 6 A H1' H 5.813 0.05 1 65 6 6 A H2 H 7.693 0.05 1 66 6 6 A H2' H 4.683 0.05 1 67 6 6 A H3' H 4.673 0.05 1 68 6 6 A H4' H 4.493 0.05 1 69 6 6 A H5' H 4.383 0.05 2 70 6 6 A H5'' H 4.203 0.05 2 71 6 6 A H8 H 8.003 0.05 1 72 6 6 A C1' C 91.499 0.10 1 73 6 6 A C2 C 154.199 0.10 1 74 6 6 A C2' C 75.799 0.10 1 75 6 6 A C3' C 74.799 0.10 1 76 6 6 A C4' C 83.999 0.10 1 77 6 6 A C5' C 66.799 0.10 1 78 6 6 A C8 C 140.599 0.10 1 79 7 7 A H1' H 5.643 0.05 1 80 7 7 A H2 H 7.663 0.05 1 81 7 7 A H2' H 4.643 0.05 1 82 7 7 A H8 H 7.893 0.05 1 83 7 7 A C1' C 91.999 0.10 1 84 7 7 A C2 C 154.199 0.10 1 85 7 7 A C8 C 139.799 0.10 1 86 8 8 A H1' H 5.643 0.05 1 87 8 8 A H2 H 7.873 0.05 1 88 8 8 A H2' H 4.463 0.05 1 89 8 8 A H3' H 4.683 0.05 1 90 8 8 A H4' H 4.493 0.05 1 91 8 8 A H5' H 4.343 0.05 2 92 8 8 A H5'' H 4.143 0.05 2 93 8 8 A H8 H 7.923 0.05 1 94 8 8 A C1' C 91.999 0.10 1 95 8 8 A C2 C 154.799 0.10 1 96 8 8 A C2' C 75.799 0.10 1 97 8 8 A C3' C 74.099 0.10 1 98 8 8 A C4' C 83.399 0.10 1 99 8 8 A C5' C 66.999 0.10 1 100 8 8 A C8 C 139.999 0.10 1 101 9 9 G H1' H 5.673 0.05 1 102 9 9 G H2' H 4.713 0.05 1 103 9 9 G H4' H 4.523 0.05 1 104 9 9 G H5' H 4.363 0.05 2 105 9 9 G H5'' H 4.123 0.05 2 106 9 9 G H8 H 7.603 0.05 1 107 9 9 G C1' C 91.299 0.10 1 108 9 9 G C5' C 66.899 0.10 1 109 10 10 G H1 H 13.363 0.05 1 110 10 10 G H1' H 5.803 0.05 1 111 10 10 G H2' H 4.703 0.05 1 112 10 10 G H3' H 4.593 0.05 1 113 10 10 G H4' H 4.493 0.05 1 114 10 10 G H5' H 4.543 0.05 2 115 10 10 G H5'' H 4.123 0.05 2 116 10 10 G H8 H 7.453 0.05 1 117 10 10 G C1' C 93.099 0.10 1 118 10 10 G C2' C 75.399 0.10 1 119 10 10 G C3' C 73.299 0.10 1 120 10 10 G C4' C 82.299 0.10 1 121 10 10 G C8 C 136.399 0.10 1 122 11 11 G H1 H 13.094 0.05 1 123 11 11 G H1' H 5.793 0.05 1 124 11 11 G H2' H 4.523 0.05 1 125 11 11 G H3' H 4.553 0.05 1 126 11 11 G H4' H 4.483 0.05 1 127 11 11 G H5' H 4.533 0.05 2 128 11 11 G H5'' H 4.123 0.05 2 129 11 11 G H8 H 7.483 0.05 1 130 11 11 G C1' C 92.699 0.10 1 131 11 11 G C2' C 75.599 0.10 1 132 11 11 G C3' C 72.499 0.10 1 133 11 11 G C5' C 65.199 0.10 1 134 11 11 G C8 C 136.499 0.10 1 135 11 11 G N1 N 148.549 0.10 1 136 12 12 C H1' H 5.553 0.05 1 137 12 12 C H2' H 4.553 0.05 1 138 12 12 C H3' H 4.273 0.05 1 139 12 12 C H4' H 4.473 0.05 1 140 12 12 C H5 H 5.263 0.05 1 141 12 12 C H5' H 4.063 0.05 2 142 12 12 C H5'' H 4.523 0.05 2 143 12 12 C H6 H 7.453 0.05 1 144 12 12 C H41 H 6.953 0.05 1 145 12 12 C H42 H 8.603 0.05 1 146 12 12 C C1' C 93.899 0.10 1 147 12 12 C C2' C 75.599 0.10 1 148 12 12 C C3' C 71.999 0.10 1 149 12 12 C C4' C 81.899 0.10 1 150 12 12 C C5 C 97.299 0.10 1 151 12 12 C C5' C 67.199 0.10 1 152 12 12 C C6 C 140.499 0.10 1 153 12 12 C N4 N 99.155 0.10 1 154 13 13 U H1' H 5.713 0.05 1 155 13 13 U H2' H 3.843 0.05 1 156 13 13 U H3' H 4.563 0.05 1 157 13 13 U H4' H 4.413 0.05 1 158 13 13 U H5 H 5.753 0.05 1 159 13 13 U H5' H 4.163 0.05 2 160 13 13 U H5'' H 4.683 0.05 2 161 13 13 U H6 H 7.803 0.05 1 162 13 13 U C1' C 94.699 0.10 1 163 13 13 U C2' C 75.999 0.10 1 164 13 13 U C3' C 73.299 0.10 1 165 13 13 U C4' C 82.399 0.10 1 166 13 13 U C5 C 104.999 0.10 1 167 13 13 U C5' C 64.099 0.10 1 168 13 13 U C6 C 140.899 0.10 1 169 14 14 U H1' H 6.133 0.05 1 170 14 14 U H2' H 4.713 0.05 1 171 14 14 U H3' H 4.063 0.05 1 172 14 14 U H4' H 4.513 0.05 1 173 14 14 U H5 H 5.903 0.05 1 174 14 14 U H5' H 4.093 0.05 2 175 14 14 U H5'' H 4.263 0.05 2 176 14 14 U H6 H 8.063 0.05 1 177 14 14 U C1' C 89.199 0.10 1 178 14 14 U C2' C 74.549 0.10 1 179 14 14 U C3' C 77.899 0.10 1 180 14 14 U C4' C 87.099 0.10 1 181 14 14 U C5 C 105.499 0.10 1 182 14 14 U C5' C 67.899 0.10 1 183 14 14 U C6 C 144.799 0.10 1 184 15 15 C H1' H 6.013 0.05 1 185 15 15 C H2' H 4.133 0.05 1 186 15 15 C H3' H 4.523 0.05 1 187 15 15 C H4' H 3.833 0.05 1 188 15 15 C H5 H 6.183 0.05 1 189 15 15 C H5' H 3.643 0.05 2 190 15 15 C H5'' H 2.753 0.05 2 191 15 15 C H6 H 7.743 0.05 1 192 15 15 C C1' C 89.099 0.10 1 193 15 15 C C2' C 77.599 0.10 1 194 15 15 C C3' C 80.299 0.10 1 195 15 15 C C4' C 84.399 0.10 1 196 15 15 C C5 C 98.499 0.10 1 197 15 15 C C5' C 67.399 0.10 1 198 15 15 C C6 C 142.799 0.10 1 199 16 16 G H1 H 9.701 0.05 1 200 16 16 G H1' H 5.983 0.05 1 201 16 16 G H2' H 4.873 0.05 1 202 16 16 G H3' H 5.653 0.05 1 203 16 16 G H4' H 4.433 0.05 1 204 16 16 G H5' H 4.433 0.05 2 205 16 16 G H5'' H 4.223 0.05 2 206 16 16 G H8 H 7.873 0.05 1 207 16 16 G C1' C 94.799 0.10 1 208 16 16 G C2' C 77.499 0.10 1 209 16 16 G C3' C 75.999 0.10 1 210 16 16 G C4' C 83.299 0.10 1 211 16 16 G C5' C 68.999 0.10 1 212 16 16 G C8 C 143.099 0.10 1 213 16 16 G N1 N 143.354 0.10 1 214 17 17 G H1 H 13.328 0.05 1 215 17 17 G H1' H 4.463 0.05 1 216 17 17 G H2' H 4.463 0.05 1 217 17 17 G H3' H 4.283 0.05 1 218 17 17 G H4' H 4.433 0.05 1 219 17 17 G H5' H 4.523 0.05 2 220 17 17 G H5'' H 4.283 0.05 2 221 17 17 G H8 H 8.313 0.05 1 222 17 17 G C1' C 93.219 0.10 1 223 17 17 G C2' C 75.399 0.10 1 224 17 17 G C3' C 75.099 0.10 1 225 17 17 G C4' C 83.099 0.10 1 226 17 17 G C5' C 69.699 0.10 1 227 17 17 G C8 C 138.899 0.10 1 228 17 17 G N1 N 148.524 0.10 1 229 18 18 C H1' H 5.563 0.05 1 230 18 18 C H2' H 4.463 0.05 1 231 18 18 C H3' H 4.473 0.05 1 232 18 18 C H4' H 4.403 0.05 1 233 18 18 C H5 H 5.303 0.05 1 234 18 18 C H6 H 7.723 0.05 1 235 18 18 C H41 H 6.903 0.05 1 236 18 18 C H42 H 8.803 0.05 1 237 18 18 C C1' C 93.999 0.10 1 238 18 18 C C2' C 75.599 0.10 1 239 18 18 C C3' C 71.999 0.10 1 240 18 18 C C4' C 81.899 0.10 1 241 18 18 C C5 C 96.749 0.10 1 242 18 18 C C6 C 141.199 0.10 1 243 18 18 C N4 N 98.355 0.10 1 244 19 19 C H1' H 5.573 0.05 1 245 19 19 C H2' H 4.483 0.05 1 246 19 19 C H3' H 4.513 0.05 1 247 19 19 C H4' H 4.433 0.05 1 248 19 19 C H5 H 5.573 0.05 1 249 19 19 C H5' H 4.543 0.05 2 250 19 19 C H5'' H 4.133 0.05 2 251 19 19 C H6 H 7.683 0.05 1 252 19 19 C H41 H 6.903 0.05 1 253 19 19 C H42 H 8.353 0.05 1 254 19 19 C C1' C 93.999 0.10 1 255 19 19 C C2' C 75.599 0.10 1 256 19 19 C C3' C 72.899 0.10 1 257 19 19 C C4' C 81.899 0.10 1 258 19 19 C C5 C 98.199 0.10 1 259 19 19 C C5' C 64.799 0.10 1 260 19 19 C C6 C 140.799 0.10 1 261 19 19 C N4 N 97.555 0.10 1 262 20 20 A H1' H 5.923 0.05 1 263 20 20 A H2 H 7.373 0.05 1 264 20 20 A H2' H 4.503 0.05 1 265 20 20 A H3' H 4.573 0.05 1 266 20 20 A H4' H 4.483 0.05 1 267 20 20 A H5' H 4.463 0.05 2 268 20 20 A H5'' H 4.143 0.05 2 269 20 20 A H8 H 8.113 0.05 1 270 20 20 A C1' C 92.399 0.10 1 271 20 20 A C2 C 154.299 0.10 1 272 20 20 A C3' C 73.599 0.10 1 273 20 20 A C4' C 82.999 0.10 1 274 20 20 A C5' C 65.599 0.10 1 275 20 20 A C8 C 139.699 0.10 1 276 21 21 C H1' H 5.413 0.05 1 277 21 21 C H2' H 4.193 0.05 1 278 21 21 C H3' H 4.363 0.05 1 279 21 21 C H4' H 4.353 0.05 1 280 21 21 C H5 H 5.433 0.05 1 281 21 21 C H5' H 4.093 0.05 2 282 21 21 C H5'' H 4.393 0.05 2 283 21 21 C H6 H 7.483 0.05 1 284 21 21 C C1' C 93.399 0.10 1 285 21 21 C C2' C 75.899 0.10 1 286 21 21 C C3' C 73.199 0.10 1 287 21 21 C C4' C 82.799 0.10 1 288 21 21 C C5 C 97.699 0.10 1 289 21 21 C C5' C 65.299 0.10 1 290 21 21 C C6 C 141.469 0.10 1 291 22 22 U H1' H 5.643 0.05 1 292 22 22 U H2' H 4.323 0.05 1 293 22 22 U H3' H 4.463 0.05 1 294 22 22 U H4' H 4.373 0.05 1 295 22 22 U H5 H 5.553 0.05 1 296 22 22 U H5' H 4.353 0.05 2 297 22 22 U H5'' H 4.093 0.05 2 298 22 22 U H6 H 7.743 0.05 1 299 22 22 U C1' C 92.599 0.10 1 300 22 22 U C2' C 75.599 0.10 1 301 22 22 U C3' C 73.999 0.10 1 302 22 22 U C4' C 83.499 0.10 1 303 22 22 U C5 C 104.199 0.10 1 304 22 22 U C6 C 142.299 0.10 1 305 23 23 C H1' H 5.673 0.05 1 306 23 23 C H2' H 4.373 0.05 1 307 23 23 C H3' H 4.523 0.05 1 308 23 23 C H4' H 4.353 0.05 1 309 23 23 C H5 H 5.713 0.05 1 310 23 23 C H5' H 4.113 0.05 2 311 23 23 C H5'' H 4.363 0.05 2 312 23 23 C H6 H 7.773 0.05 1 313 23 23 C C1' C 92.899 0.10 1 314 23 23 C C2' C 75.799 0.10 1 315 23 23 C C3' C 74.299 0.10 1 316 23 23 C C4' C 83.199 0.10 1 317 23 23 C C5 C 98.099 0.10 1 318 23 23 C C5' C 65.999 0.10 1 319 23 23 C C6 C 141.999 0.10 1 320 24 24 A H1' H 5.783 0.05 1 321 24 24 A H2 H 7.473 0.05 1 322 24 24 A H2' H 4.673 0.05 1 323 24 24 A H3' H 4.663 0.05 1 324 24 24 A H4' H 4.483 0.05 1 325 24 24 A H5' H 4.373 0.05 2 326 24 24 A H5'' H 4.163 0.05 2 327 24 24 A H8 H 8.093 0.05 1 328 24 24 A C1' C 91.799 0.10 1 329 24 24 A C2 C 154.099 0.10 1 330 24 24 A C2' C 75.699 0.10 1 331 24 24 A C3' C 74.699 0.10 1 332 24 24 A C4' C 83.699 0.10 1 333 24 24 A C5' C 66.999 0.10 1 334 24 24 A C8 C 140.499 0.10 1 335 25 25 A H1' H 5.613 0.05 1 336 25 25 A H2 H 7.733 0.05 1 337 25 25 A H2' H 4.613 0.05 1 338 25 25 A H3' H 4.633 0.05 1 339 25 25 A H4' H 4.483 0.05 1 340 25 25 A H5' H 4.423 0.05 2 341 25 25 A H5'' H 4.183 0.05 2 342 25 25 A H8 H 7.873 0.05 1 343 25 25 A C1' C 91.899 0.10 1 344 25 25 A C2 C 154.299 0.10 1 345 25 25 A C2' C 75.599 0.10 1 346 25 25 A C3' C 74.199 0.10 1 347 25 25 A C4' C 83.299 0.10 1 348 25 25 A C5' C 66.299 0.10 1 349 25 25 A C8 C 139.899 0.10 1 350 26 26 A H1' H 5.693 0.05 1 351 26 26 A H2 H 7.993 0.05 1 352 26 26 A H2' H 4.453 0.05 1 353 26 26 A H3' H 4.543 0.05 1 354 26 26 A H4' H 4.453 0.05 1 355 26 26 A H8 H 7.873 0.05 1 356 26 26 A C1' C 91.899 0.10 1 357 26 26 A C2 C 154.999 0.10 1 358 26 26 A C2' C 75.799 0.10 1 359 26 26 A C3' C 73.699 0.10 1 360 26 26 A C4' C 83.099 0.10 1 361 26 26 A C8 C 139.799 0.10 1 362 27 27 C H1' H 5.463 0.05 1 363 27 27 C H2' H 4.203 0.05 1 364 27 27 C H3' H 4.383 0.05 1 365 27 27 C H4' H 4.343 0.05 1 366 27 27 C H5 H 5.433 0.05 1 367 27 27 C H5' H 4.073 0.05 2 368 27 27 C H5'' H 4.363 0.05 2 369 27 27 C H6 H 7.453 0.05 1 370 27 27 C C1' C 92.949 0.10 1 371 27 27 C C2' C 75.899 0.10 1 372 27 27 C C3' C 73.799 0.10 1 373 27 27 C C4' C 83.099 0.10 1 374 27 27 C C5 C 97.699 0.10 1 375 27 27 C C5' C 65.499 0.10 1 376 27 27 C C6 C 141.349 0.10 1 377 28 28 U H1' H 5.733 0.05 1 378 28 28 U H2' H 4.273 0.05 1 379 28 28 U H3' H 4.533 0.05 1 380 28 28 U H4' H 4.343 0.05 1 381 28 28 U H5 H 5.653 0.05 1 382 28 28 U H5' H 4.083 0.05 2 383 28 28 U H6 H 7.723 0.05 1 384 28 28 U C1' C 91.699 0.10 1 385 28 28 U C2' C 75.599 0.10 1 386 28 28 U C3' C 75.599 0.10 1 387 28 28 U C4' C 83.999 0.10 1 388 28 28 U C5 C 104.799 0.10 1 389 28 28 U C5' C 66.599 0.10 1 390 28 28 U C6 C 142.499 0.10 1 391 29 29 A H1' H 5.913 0.05 1 392 29 29 A H2 H 8.003 0.05 1 393 29 29 A H2' H 4.643 0.05 1 394 29 29 A H3' H 4.643 0.05 1 395 29 29 A H4' H 4.483 0.05 1 396 29 29 A H5' H 4.333 0.05 2 397 29 29 A H5'' H 4.143 0.05 2 398 29 29 A H8 H 8.223 0.05 1 399 29 29 A C1' C 91.399 0.10 1 400 29 29 A C2 C 154.899 0.10 1 401 29 29 A C2' C 75.699 0.10 1 402 29 29 A C3' C 75.299 0.10 1 403 29 29 A C4' C 84.099 0.10 1 404 29 29 A C5' C 66.799 0.10 1 405 29 29 A C8 C 140.899 0.10 1 406 30 30 C H1' H 5.533 0.05 1 407 30 30 C H2' H 4.233 0.05 1 408 30 30 C H3' H 4.473 0.05 1 409 30 30 C H4' H 4.333 0.05 1 410 30 30 C H5 H 5.463 0.05 1 411 30 30 C H5' H 4.103 0.05 2 412 30 30 C H5'' H 4.323 0.05 2 413 30 30 C H6 H 7.493 0.05 1 414 30 30 C C1' C 92.599 0.10 1 415 30 30 C C2' C 75.799 0.10 1 416 30 30 C C3' C 74.599 0.10 1 417 30 30 C C4' C 83.299 0.10 1 418 30 30 C C5 C 97.899 0.10 1 419 30 30 C C5' C 66.199 0.10 1 420 30 30 C C6 C 141.799 0.10 1 421 31 31 A H1' H 5.833 0.05 1 422 31 31 A H2 H 7.853 0.05 1 423 31 31 A H2' H 4.573 0.05 1 424 31 31 A H3' H 4.633 0.05 1 425 31 31 A H4' H 4.423 0.05 1 426 31 31 A H5' H 4.223 0.05 2 427 31 31 A H5'' H 4.103 0.05 2 428 31 31 A H8 H 8.143 0.05 1 429 31 31 A C1' C 91.199 0.10 1 430 31 31 A C2 C 154.899 0.10 1 431 31 31 A C2' C 75.799 0.10 1 432 31 31 A C4' C 83.799 0.10 1 433 31 31 A C8 C 140.899 0.10 1 434 32 32 G H1' H 5.433 0.05 1 435 32 32 G H2' H 4.503 0.05 1 436 32 32 G H3' H 4.613 0.05 1 437 32 32 G H4' H 4.363 0.05 1 438 32 32 G H5' H 4.363 0.05 2 439 32 32 G H5'' H 4.123 0.05 2 440 32 32 G H8 H 7.603 0.05 1 441 32 32 G C1' C 90.999 0.10 1 442 32 32 G C2' C 75.199 0.10 1 443 32 32 G C3' C 75.499 0.10 1 444 32 32 G C4' C 84.199 0.10 1 445 32 32 G C5' C 67.299 0.10 1 446 32 32 G C8 C 138.849 0.10 1 447 33 33 A H1' H 5.833 0.05 1 448 33 33 A H2 H 7.883 0.05 1 449 33 33 A H2' H 4.743 0.05 1 450 33 33 A H8 H 8.073 0.05 1 451 33 33 A C1' C 90.699 0.10 1 452 33 33 A C2 C 154.899 0.10 1 453 33 33 A C2' C 76.099 0.10 1 454 33 33 A C8 C 141.099 0.10 1 455 34 34 G H1' H 5.533 0.05 1 456 34 34 G H2' H 4.693 0.05 1 457 34 34 G H8 H 7.643 0.05 1 458 34 34 G C1' C 90.699 0.10 1 459 34 34 G C8 C 139.499 0.10 1 460 35 35 A H1' H 5.773 0.05 1 461 35 35 A H2 H 7.813 0.05 1 462 35 35 A H2' H 4.683 0.05 1 463 35 35 A H3' H 4.603 0.05 1 464 35 35 A H8 H 8.123 0.05 1 465 35 35 A C1' C 91.499 0.10 1 466 35 35 A C2 C 154.699 0.10 1 467 35 35 A C2' C 76.399 0.10 1 468 35 35 A C3' C 75.799 0.10 1 469 35 35 A C8 C 141.099 0.10 1 470 36 36 C H1' H 6.033 0.05 1 471 36 36 C H2' H 4.483 0.05 1 472 36 36 C H3' H 4.613 0.05 1 473 36 36 C H4' H 4.613 0.05 1 474 36 36 C H6 H 7.863 0.05 1 475 36 36 C C1' C 91.399 0.10 1 476 36 36 C C2' C 75.849 0.10 1 477 36 36 C C3' C 76.499 0.10 1 478 36 36 C C4' C 84.299 0.10 1 479 36 36 C C6 C 142.999 0.10 1 480 37 37 G H1' H 5.773 0.05 1 481 37 37 G H2' H 4.723 0.05 1 482 37 37 G H3' H 4.483 0.05 1 483 37 37 G H4' H 4.543 0.05 1 484 37 37 G H8 H 8.053 0.05 1 485 37 37 G C1' C 93.699 0.10 1 486 37 37 G C2' C 75.099 0.10 1 487 37 37 G C3' C 73.499 0.10 1 488 37 37 G C4' C 82.899 0.10 1 489 37 37 G C8 C 138.499 0.10 1 490 38 38 C H1' H 5.493 0.05 1 491 38 38 C H2' H 4.323 0.05 1 492 38 38 C H3' H 4.543 0.05 1 493 38 38 C H4' H 4.443 0.05 1 494 38 38 C H5 H 5.463 0.05 1 495 38 38 C H5' H 4.533 0.05 2 496 38 38 C H5'' H 4.143 0.05 2 497 38 38 C H6 H 7.793 0.05 1 498 38 38 C H41 H 6.333 0.05 1 499 38 38 C H42 H 7.183 0.05 1 500 38 38 C C1' C 93.949 0.10 1 501 38 38 C C2' C 75.499 0.10 1 502 38 38 C C4' C 81.899 0.10 1 503 38 38 C C5 C 97.099 0.10 1 504 38 38 C C5' C 64.199 0.10 1 505 38 38 C C6 C 140.799 0.10 1 506 38 38 C N4 N 93.455 0.10 1 507 39 39 C H1' H 5.503 0.05 1 508 39 39 C H2' H 4.323 0.05 1 509 39 39 C H3' H 4.593 0.05 1 510 39 39 C H4' H 4.443 0.05 1 511 39 39 C H5 H 5.543 0.05 1 512 39 39 C H5' H 4.533 0.05 2 513 39 39 C H5'' H 4.083 0.05 2 514 39 39 C H6 H 7.763 0.05 1 515 39 39 C H41 H 6.903 0.05 1 516 39 39 C H42 H 8.303 0.05 1 517 39 39 C C1' C 93.899 0.10 1 518 39 39 C C2' C 75.499 0.10 1 519 39 39 C C3' C 72.199 0.10 1 520 39 39 C C4' C 81.899 0.10 1 521 39 39 C C5 C 97.899 0.10 1 522 39 39 C C5' C 64.299 0.10 1 523 39 39 C C6 C 140.899 0.10 1 524 39 39 C N4 N 97.855 0.10 1 525 40 40 A H1' H 5.903 0.05 1 526 40 40 A H2 H 7.123 0.05 1 527 40 40 A H2' H 4.663 0.05 1 528 40 40 A H4' H 4.513 0.05 1 529 40 40 A H8 H 7.973 0.05 1 530 40 40 A C1' C 93.099 0.10 1 531 40 40 A C2 C 152.499 0.10 1 532 40 40 A C2' C 75.799 0.10 1 533 40 40 A C4' C 83.599 0.10 1 534 40 40 A C8 C 139.499 0.10 1 535 41 41 G H1 H 10.624 0.05 1 536 41 41 G H1' H 5.613 0.05 1 537 41 41 G H2' H 4.313 0.05 1 538 41 41 G H3' H 4.183 0.05 1 539 41 41 G H4' H 4.443 0.05 1 540 41 41 G H5' H 4.483 0.05 2 541 41 41 G H5'' H 4.043 0.05 2 542 41 41 G H8 H 7.193 0.05 1 543 41 41 G C1' C 92.299 0.10 1 544 41 41 G C2' C 76.099 0.10 1 545 41 41 G C4' C 83.299 0.10 1 546 41 41 G C5' C 65.799 0.10 1 547 41 41 G C8 C 136.299 0.10 1 548 41 41 G N1 N 144.407 0.10 1 549 42 42 U H1' H 5.733 0.05 1 550 42 42 U H2' H 4.343 0.05 1 551 42 42 U H5 H 5.553 0.05 1 552 42 42 U H6 H 7.703 0.05 1 553 42 42 U C1' C 91.999 0.10 1 554 42 42 U C2' C 75.499 0.10 1 555 42 42 U C5 C 104.699 0.10 1 556 42 42 U C6 C 142.199 0.10 1 557 43 43 C H1' H 5.733 0.05 1 558 43 43 C H2' H 4.493 0.05 1 559 43 43 C H3' H 4.603 0.05 1 560 43 43 C H4' H 4.453 0.05 1 561 43 43 C H5 H 5.733 0.05 1 562 43 43 C H6 H 7.913 0.05 1 563 43 43 C C1' C 93.699 0.10 1 564 43 43 C C2' C 75.599 0.10 1 565 43 43 C C3' C 73.799 0.10 1 566 43 43 C C4' C 83.099 0.10 1 567 43 43 C C5 C 97.899 0.10 1 568 43 43 C C6 C 143.499 0.10 1 569 44 44 A H1' H 5.913 0.05 1 570 44 44 A H2 H 7.863 0.05 1 571 44 44 A H2' H 4.633 0.05 1 572 44 44 A H3' H 4.633 0.05 1 573 44 44 A H8 H 8.183 0.05 1 574 44 44 A C1' C 92.499 0.10 1 575 44 44 A C2 C 154.899 0.10 1 576 44 44 A C2' C 75.699 0.10 1 577 44 44 A C3' C 73.999 0.10 1 578 44 44 A C8 C 140.499 0.10 1 579 45 45 C H1' H 5.643 0.05 1 580 45 45 C H2' H 4.263 0.05 1 581 45 45 C H3' H 4.543 0.05 1 582 45 45 C H4' H 4.323 0.05 1 583 45 45 C H5 H 5.513 0.05 1 584 45 45 C H5' H 4.443 0.05 2 585 45 45 C H5'' H 4.083 0.05 2 586 45 45 C H6 H 7.593 0.05 1 587 45 45 C C1' C 92.599 0.10 1 588 45 45 C C2' C 75.999 0.10 1 589 45 45 C C3' C 74.499 0.10 1 590 45 45 C C5 C 97.899 0.10 1 591 45 45 C C5' C 65.699 0.10 1 592 45 45 C C6 C 141.699 0.10 1 593 46 46 U H1' H 5.813 0.05 1 594 46 46 U H2' H 4.323 0.05 1 595 46 46 U H3' H 4.523 0.05 1 596 46 46 U H4' H 4.393 0.05 1 597 46 46 U H5 H 5.703 0.05 1 598 46 46 U H5' H 4.243 0.05 2 599 46 46 U H5'' H 4.073 0.05 2 600 46 46 U H6 H 7.763 0.05 1 601 46 46 U C1' C 91.099 0.10 1 602 46 46 U C2' C 75.599 0.10 1 603 46 46 U C3' C 75.999 0.10 1 604 46 46 U C4' C 84.699 0.10 1 605 46 46 U C5 C 104.999 0.10 1 606 46 46 U C5' C 66.899 0.10 1 607 46 46 U C6 C 142.999 0.10 1 608 47 47 C H1' H 5.763 0.05 1 609 47 47 C H2' H 4.283 0.05 1 610 47 47 C H3' H 4.523 0.05 1 611 47 47 C H4' H 4.223 0.05 1 612 47 47 C H5 H 5.973 0.05 1 613 47 47 C H5' H 4.073 0.05 2 614 47 47 C H5'' H 4.043 0.05 2 615 47 47 C H6 H 7.723 0.05 1 616 47 47 C C1' C 91.549 0.10 1 617 47 47 C C2' C 75.799 0.10 1 618 47 47 C C3' C 75.999 0.10 1 619 47 47 C C4' C 84.099 0.10 1 620 47 47 C C5 C 98.999 0.10 1 621 47 47 C C5' C 67.199 0.10 1 622 47 47 C C6 C 143.499 0.10 1 623 48 48 A H1' H 6.253 0.05 1 624 48 48 A H2' H 5.403 0.05 1 625 48 48 A H3' H 5.173 0.05 1 626 48 48 A H4' H 4.573 0.05 1 627 48 48 A H5' H 4.413 0.05 2 628 48 48 A H5'' H 4.193 0.05 2 629 48 48 A H8 H 8.283 0.05 1 630 48 48 A C1' C 91.799 0.10 1 631 48 48 A C2' C 83.399 0.10 1 632 48 48 A C3' C 79.999 0.10 1 633 48 48 A C4' C 86.599 0.10 1 634 48 48 A C5' C 67.799 0.10 1 635 48 48 A C8 C 142.699 0.10 1 636 49 49 G H1' H 5.493 0.05 1 637 49 49 G H2' H 4.633 0.05 1 638 49 49 G H3' H 4.763 0.05 1 639 49 49 G H4' H 4.383 0.05 1 640 49 49 G H5' H 4.183 0.05 2 641 49 49 G H5'' H 4.083 0.05 2 642 49 49 G H8 H 7.693 0.05 1 643 49 49 G C1' C 90.299 0.10 1 644 49 49 G C2' C 75.499 0.10 1 645 49 49 G C3' C 75.499 0.10 1 646 49 49 G C4' C 84.299 0.10 1 647 49 49 G C5' C 67.599 0.10 1 648 49 49 G C8 C 139.199 0.10 1 649 50 50 A H1' H 5.913 0.05 1 650 50 50 A H2 H 7.843 0.05 1 651 50 50 A H2' H 4.753 0.05 1 652 50 50 A H3' H 4.623 0.05 1 653 50 50 A H4' H 4.503 0.05 1 654 50 50 A H5' H 4.343 0.05 2 655 50 50 A H5'' H 4.203 0.05 2 656 50 50 A H8 H 8.123 0.05 1 657 50 50 A C1' C 90.299 0.10 1 658 50 50 A C2 C 154.799 0.10 1 659 50 50 A C2' C 75.799 0.10 1 660 50 50 A C3' C 75.799 0.10 1 661 50 50 A C4' C 84.499 0.10 1 662 50 50 A C5' C 67.299 0.10 1 663 50 50 A C8 C 141.399 0.10 1 664 51 51 U H1' H 5.793 0.05 1 665 51 51 U H2' H 4.363 0.05 1 666 51 51 U H3' H 4.623 0.05 1 667 51 51 U H4' H 4.443 0.05 1 668 51 51 U H5 H 5.653 0.05 1 669 51 51 U H5' H 4.253 0.05 2 670 51 51 U H5'' H 4.163 0.05 2 671 51 51 U H6 H 7.723 0.05 1 672 51 51 U C1' C 91.099 0.10 1 673 51 51 U C2' C 75.799 0.10 1 674 51 51 U C3' C 75.799 0.10 1 675 51 51 U C4' C 84.699 0.10 1 676 51 51 U C5 C 104.899 0.10 1 677 51 51 U C5' C 67.299 0.10 1 678 51 51 U C6 C 143.049 0.10 1 679 52 52 A H1' H 5.803 0.05 1 680 52 52 A H2 H 7.803 0.05 1 681 52 52 A H2' H 4.553 0.05 1 682 52 52 A H3' H 4.683 0.05 1 683 52 52 A H4' H 4.293 0.05 1 684 52 52 A H5' H 4.103 0.05 2 685 52 52 A H5'' H 4.023 0.05 2 686 52 52 A H8 H 8.153 0.05 1 687 52 52 A C1' C 90.299 0.10 1 688 52 52 A C2 C 154.799 0.10 1 689 52 52 A C2' C 75.999 0.10 1 690 52 52 A C3' C 76.099 0.10 1 691 52 52 A C4' C 84.399 0.10 1 692 52 52 A C5' C 67.699 0.10 1 693 53 53 U H1' H 5.543 0.05 1 694 53 53 U H2' H 4.353 0.05 1 695 53 53 U H3' H 4.483 0.05 1 696 53 53 U H4' H 4.433 0.05 1 697 53 53 U H5 H 5.463 0.05 1 698 53 53 U H5' H 4.133 0.05 2 699 53 53 U H5'' H 4.353 0.05 2 700 53 53 U H6 H 7.573 0.05 1 701 53 53 U C1' C 92.099 0.10 1 702 53 53 U C2' C 75.499 0.10 1 703 53 53 U C3' C 74.499 0.10 1 704 53 53 U C4' C 83.899 0.10 1 705 53 53 U C5 C 104.199 0.10 1 706 53 53 U C5' C 65.999 0.10 1 707 53 53 U C6 C 141.999 0.10 1 708 54 54 C H1' H 6.053 0.05 1 709 54 54 C H2' H 4.493 0.05 1 710 54 54 C H3' H 4.633 0.05 1 711 54 54 C H4' H 4.623 0.05 1 712 54 54 C H5 H 5.863 0.05 1 713 54 54 C H5' H 4.403 0.05 2 714 54 54 C H5'' H 4.253 0.05 2 715 54 54 C H6 H 7.873 0.05 1 716 54 54 C C1' C 91.199 0.10 1 717 54 54 C C2' C 75.799 0.10 1 718 54 54 C C3' C 76.699 0.10 1 719 54 54 C C4' C 84.299 0.10 1 720 54 54 C C5 C 98.799 0.10 1 721 54 54 C C5' C 67.399 0.10 1 722 54 54 C C6 C 143.199 0.10 1 723 55 55 C H1' H 5.513 0.05 1 724 55 55 C H2' H 4.383 0.05 1 725 55 55 C H3' H 4.513 0.05 1 726 55 55 C H5 H 5.833 0.05 1 727 55 55 C H6 H 7.913 0.05 1 728 55 55 C H41 H 6.993 0.05 1 729 55 55 C H42 H 8.373 0.05 1 730 55 55 C C5 C 98.299 0.10 1 731 55 55 C C6 C 141.799 0.10 1 732 55 55 C N4 N 99.755 0.10 1 733 56 56 U H1' H 5.603 0.05 1 734 56 56 U H2' H 4.673 0.05 1 735 56 56 U H3' H 4.653 0.05 1 736 56 56 U H4' H 4.443 0.05 1 737 56 56 U H5 H 5.533 0.05 1 738 56 56 U H5' H 4.553 0.05 2 739 56 56 U H5'' H 4.143 0.05 2 740 56 56 U H6 H 7.963 0.05 1 741 56 56 U C1' C 93.349 0.10 1 742 56 56 U C2' C 75.299 0.10 1 743 56 56 U C3' C 72.499 0.10 1 744 56 56 U C4' C 82.199 0.10 1 745 56 56 U C5 C 103.699 0.10 1 746 56 56 U C5' C 64.599 0.10 1 747 56 56 U C6 C 141.999 0.10 1 748 57 57 G H1 H 13.162 0.05 1 749 57 57 G H1' H 5.823 0.05 1 750 57 57 G H2' H 4.633 0.05 1 751 57 57 G H3' H 4.593 0.05 1 752 57 57 G H4' H 4.503 0.05 1 753 57 57 G H5' H 4.503 0.05 2 754 57 57 G H5'' H 4.163 0.05 2 755 57 57 G H8 H 7.723 0.05 1 756 57 57 G C1' C 92.499 0.10 1 757 57 57 G C2' C 75.499 0.10 1 758 57 57 G C3' C 73.099 0.10 1 759 57 57 G C4' C 81.999 0.10 1 760 57 57 G C5' C 65.799 0.10 1 761 57 57 G C8 C 136.499 0.10 1 762 57 57 G N1 N 148.485 0.10 1 763 58 58 G H1 H 11.854 0.05 1 764 58 58 G H1' H 5.663 0.05 1 765 58 58 G H2' H 4.523 0.05 1 766 58 58 G H3' H 4.343 0.05 1 767 58 58 G H4' H 4.443 0.05 1 768 58 58 G H5' H 4.483 0.05 2 769 58 58 G H5'' H 4.043 0.05 2 770 58 58 G H8 H 7.173 0.05 1 771 58 58 G C1' C 93.099 0.10 1 772 58 58 G C2' C 75.399 0.10 1 773 58 58 G C3' C 72.599 0.10 1 774 58 58 G C4' C 83.399 0.10 1 775 58 58 G C5' C 65.199 0.10 1 776 58 58 G C8 C 135.799 0.10 1 777 58 58 G N1 N 146.556 0.10 1 778 59 59 U H1' H 5.513 0.05 1 779 59 59 U H2' H 4.203 0.05 1 780 59 59 U H3' H 4.533 0.05 1 781 59 59 U H4' H 4.343 0.05 1 782 59 59 U H5 H 5.383 0.05 1 783 59 59 U H6 H 7.543 0.05 1 784 59 59 U C1' C 93.599 0.10 1 785 59 59 U C2' C 75.799 0.10 1 786 59 59 U C3' C 72.799 0.10 1 787 59 59 U C4' C 82.799 0.10 1 788 59 59 U C5 C 104.099 0.10 1 789 59 59 U C6 C 140.299 0.10 1 stop_ save_