data_25654 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of the II-III-VI three-way junction from the VS ribozyme ; _BMRB_accession_number 25654 _BMRB_flat_file_name bmr25654.str _Entry_type original _Submission_date 2015-06-09 _Accession_date 2015-06-09 _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 Bonneau Eric . . 2 Girard Nicolas . . 3 Lemieux Sebastien . . 4 Legault Pascale . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 511 "13C chemical shifts" 394 "15N chemical shifts" 51 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-08-16 update BMRB 'update entry citation' 2015-07-03 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 25655 'II-III-VI three-way junction from the VS ribozyme in complex with MAGNESIUM' stop_ _Original_release_date 2015-07-03 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; The NMR structure of the II-III-VI three-way junction from the Neurospora VS ribozyme reveals a critical tertiary interaction and provides new insights into the global ribozyme structure ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26124200 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bonneau Eric . . 2 Girard Nicolas . . 3 Lemieux Sebastien . . 4 Legault Pascale . . stop_ _Journal_abbreviation RNA _Journal_volume 21 _Journal_issue 9 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1621 _Page_last 1632 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'II-III-VI three-way junction from the VS ribozyme' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'RNA (62-MER)' $RNA_(62-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_(62-MER) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common RNA_(62-MER) _Molecular_mass 20022.115 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 62 _Mol_residue_sequence ; GCAGCAGGGAACUCACGCUU GCGUAGAGGCUAAGUGCUUC GGCACAGCACAAGCCCGCUG CG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 G 2 2 C 3 3 A 4 4 G 5 5 C 6 6 A 7 7 G 8 8 G 9 9 G 10 10 A 11 11 A 12 12 C 13 13 U 14 14 C 15 15 A 16 16 C 17 17 G 18 18 C 19 19 U 20 20 U 21 21 G 22 22 C 23 23 G 24 24 U 25 25 A 26 26 G 27 27 A 28 28 G 29 29 G 30 30 C 31 31 U 32 32 A 33 33 A 34 34 G 35 35 U 36 36 G 37 37 C 38 38 U 39 39 U 40 40 C 41 41 G 42 42 G 43 43 C 44 44 A 45 45 C 46 46 A 47 47 G 48 48 C 49 49 A 50 50 C 51 51 A 52 52 A 53 53 G 54 54 C 55 55 C 56 56 C 57 57 G 58 58 C 59 59 U 60 60 G 61 61 C 62 62 G stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $RNA_(62-MER) 'red bread mold' 5141 Eukaryota Fungi Neurospora crassa 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_(62-MER) 'recombinant technology' . Escherichia coli . 'pTZ19R-derived pTR-4' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_J236-15N _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNA_(62-MER) 2 mM [U-15N] D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' NaCacodylate 10 mM 'natural abundance' KCl 50 mM 'natural abundance' NaN3 0.05 mM 'natural abundance' MgCl2 5 mM 'natural abundance' stop_ save_ save_J236-13C-15N _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNA_(62-MER) 2 mM '[U-13C; U-15N]' D2O 100 % 'natural abundance' NaCacodylate 10 mM 'natural abundance' KCl 50 mM 'natural abundance' NaN3 0.05 mM 'natural abundance' MgCl2 5 mM 'natural abundance' stop_ save_ save_J236-ATP-13C-15N _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNA_(62-MER) 2 mM '[U-13C; U-15N]-Ade' D2O 100 % 'natural abundance' NaCacodylate 10 mM 'natural abundance' KCl 50 mM 'natural abundance' NaN3 0.05 mM 'natural abundance' MgCl2 5 mM 'natural abundance' stop_ save_ save_J236-CTP-13C-15N _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNA_(62-MER) 2 mM '[U-13C; U-15N]-Cyt' D2O 100 % 'natural abundance' NaCacodylate 10 mM 'natural abundance' KCl 50 mM 'natural abundance' NaN3 0.05 mM 'natural abundance' MgCl2 5 mM 'natural abundance' stop_ save_ save_J236-GTP-13C-15N _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNA_(62-MER) 2.5 mM '[U-13C; U-15N]-Gua' D2O 100 % 'natural abundance' NaCacodylate 10 mM 'natural abundance' KCl 50 mM 'natural abundance' NaN3 0.05 mM 'natural abundance' MgCl2 5 mM 'natural abundance' stop_ save_ save_J236-13C-15N-H2O _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNA_(62-MER) 2 mM '[U-13C; U-15N]' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' NaCacodylate 10 mM 'natural abundance' KCl 50 mM 'natural abundance' NaN3 0.05 mM 'natural abundance' MgCl2 5 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'data analysis' processing stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'data analysis' processing stop_ _Details . save_ save_CCPNMR _Saveframe_category software _Name CCPNMR _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name X-PLOR_NIH _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Unity _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_1D_1H_watergate_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1D 1H watergate' _Sample_label $J236-15N save_ save_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $J236-15N save_ save_2D_1H-15N_HSQC_NH2_only_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC NH2 only' _Sample_label $J236-15N save_ save_2D_HNN_COSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HNN COSY' _Sample_label $J236-15N save_ save_2D_1H-1H_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $J236-15N save_ save_2D_1H-15N_CPMG-NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N CPMG-NOESY' _Sample_label $J236-15N save_ save_3D_15N-edited_NOESY-HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-edited NOESY-HSQC' _Sample_label $J236-15N save_ save_3D_15N/13C-edited_NOESY-HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N/13C-edited NOESY-HSQC' _Sample_label $J236-13C-15N-H2O save_ save_2D_G-specific_H(NC)-TOCSY-(C)H_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D G-specific H(NC)-TOCSY-(C)H' _Sample_label $J236-13C-15N-H2O save_ save_2D_A-specific_H(NC)-TOCSY-(C)H_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D A-specific H(NC)-TOCSY-(C)H' _Sample_label $J236-13C-15N-H2O save_ save_2D_1H-15N_MQ-(HC)N(C)H_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N MQ-(HC)N(C)H' _Sample_label $J236-13C-15N save_ save_2D_1H-13C_HSQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $J236-13C-15N save_ save_2D_1H-13C_HMQC_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HMQC' _Sample_label $J236-13C-15N save_ save_3D_HCCH-COSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $J236-13C-15N save_ save_3D_HCCH-TOCSY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $J236-13C-15N save_ save_3D_13C-edited_NOESY-HSQC_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-edited NOESY-HSQC' _Sample_label $J236-13C-15N save_ save_2D_1H-13C_HSQC_17 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $J236-ATP-13C-15N save_ save_2D_1H-13C_HMQC_18 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HMQC' _Sample_label $J236-ATP-13C-15N save_ save_3D_HCCH-COSY_19 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $J236-ATP-13C-15N save_ save_3D_HCCH-TOCSY_20 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $J236-ATP-13C-15N save_ save_3D_13C-edited_NOESY-HSQC_21 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-edited NOESY-HSQC' _Sample_label $J236-ATP-13C-15N save_ save_2D_1H-13C_HSQC_22 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $J236-CTP-13C-15N save_ save_2D_1H-13C_HMQC_23 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HMQC' _Sample_label $J236-CTP-13C-15N save_ save_3D_HCCH-COSY_24 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $J236-CTP-13C-15N save_ save_3D_HCCH-TOCSY_25 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $J236-CTP-13C-15N save_ save_3D_13C-edited_NOESY-HSQC_26 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-edited NOESY-HSQC' _Sample_label $J236-CTP-13C-15N save_ save_2D_1H-13C_HSQC_27 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $J236-GTP-13C-15N save_ save_2D_1H-13C_HMQC_28 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HMQC' _Sample_label $J236-GTP-13C-15N save_ save_3D_HCCH-COSY_29 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $J236-GTP-13C-15N save_ save_3D_HCCH-TOCSY_30 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $J236-GTP-13C-15N save_ save_3D_13C-edited_NOESY-HSQC_31 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-edited NOESY-HSQC' _Sample_label $J236-GTP-13C-15N save_ ####################### # Sample conditions # ####################### save_Sample_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 . pH pressure 1 . atm temperature 273 . K stop_ save_ save_Sample_condition_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 . pH pressure 1 . atm temperature 273 . K 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 C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 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-15N HSQC NH2 only' '2D 1H-13C HSQC' stop_ loop_ _Sample_label $J236-15N $J236-13C-15N stop_ _Sample_conditions_label $Sample_condition_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'RNA (62-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 G H1 H 12.981 0.02 1 2 1 1 G H1' H 5.836 0.01 1 3 1 1 G H2' H 4.748 0.01 1 4 1 1 G H3' H 4.578 0.01 1 5 1 1 G H4' H 4.439 0.01 1 6 1 1 G H5' H 4.136 0.01 1 7 1 1 G H5'' H 3.957 0.01 1 8 1 1 G H8 H 8.125 0.01 1 9 1 1 G C1' C 93.311 0.20 1 10 1 1 G C2' C 75.027 0.20 1 11 1 1 G C3' C 73.764 0.20 1 12 1 1 G C4' C 84.691 0.20 1 13 1 1 G C5' C 62.296 0.20 1 14 1 1 G C8 C 138.555 0.20 1 15 1 1 G N1 N 148.106 0.10 1 16 2 2 C H1' H 5.586 0.01 1 17 2 2 C H2' H 4.570 0.01 1 18 2 2 C H3' H 4.620 0.01 1 19 2 2 C H4' H 4.486 0.01 1 20 2 2 C H5 H 5.276 0.01 1 21 2 2 C H5' H 4.103 0.01 1 22 2 2 C H5'' H 4.618 0.01 1 23 2 2 C H6 H 7.895 0.01 1 24 2 2 C H41 H 6.762 0.02 1 25 2 2 C H42 H 8.480 0.02 1 26 2 2 C C1' C 93.707 0.20 1 27 2 2 C C2' C 75.236 0.20 1 28 2 2 C C3' C 72.067 0.20 1 29 2 2 C C4' C 81.837 0.20 1 30 2 2 C C5 C 96.966 0.20 1 31 2 2 C C5' C 64.175 0.20 1 32 2 2 C C6 C 141.507 0.20 1 33 2 2 C N4 N 98.840 0.10 1 34 3 3 A H1' H 5.927 0.01 1 35 3 3 A H2 H 7.045 0.01 1 36 3 3 A H2' H 4.679 0.01 1 37 3 3 A H3' H 4.636 0.01 1 38 3 3 A H4' H 4.476 0.01 1 39 3 3 A H5' H 4.654 0.01 1 40 3 3 A H5'' H 4.159 0.01 1 41 3 3 A H8 H 7.988 0.01 1 42 3 3 A C1' C 93.063 0.20 1 43 3 3 A C2 C 152.550 0.20 1 44 3 3 A C2' C 75.622 0.20 1 45 3 3 A C3' C 72.130 0.20 1 46 3 3 A C4' C 81.872 0.20 1 47 3 3 A C5' C 64.926 0.20 1 48 3 3 A C8 C 139.277 0.20 1 49 4 4 G H1 H 13.431 0.02 1 50 4 4 G H1' H 5.596 0.01 1 51 4 4 G H2' H 4.302 0.01 1 52 4 4 G H3' H 4.453 0.01 1 53 4 4 G H4' H 4.260 0.01 1 54 4 4 G H5' H 4.525 0.01 1 55 4 4 G H5'' H 4.138 0.01 1 56 4 4 G H8 H 7.221 0.01 1 57 4 4 G C1' C 92.895 0.20 1 58 4 4 G C2' C 75.238 0.20 1 59 4 4 G C3' C 72.508 0.20 1 60 4 4 G C4' C 82.357 0.20 1 61 4 4 G C5' C 64.937 0.20 1 62 4 4 G C8 C 135.456 0.20 1 63 4 4 G N1 N 147.961 0.10 1 64 5 5 C H1' H 5.713 0.01 1 65 5 5 C H2' H 4.271 0.01 1 66 5 5 C H3' H 4.725 0.01 1 67 5 5 C H4' H 4.462 0.01 1 68 5 5 C H5 H 5.132 0.01 1 69 5 5 C H6 H 7.593 0.01 1 70 5 5 C H41 H 6.482 0.02 1 71 5 5 C H42 H 8.419 0.02 1 72 5 5 C C1' C 92.311 0.20 1 73 5 5 C C2' C 78.071 0.20 1 74 5 5 C C3' C 72.724 0.20 1 75 5 5 C C4' C 81.651 0.20 1 76 5 5 C C5 C 97.375 0.20 1 77 5 5 C C6 C 140.879 0.20 1 78 5 5 C N4 N 97.860 0.10 1 79 6 6 A H1' H 7.156 0.01 1 80 6 6 A H2 H 6.953 0.01 1 81 6 6 A H2' H 4.621 0.01 1 82 6 6 A H3' H 5.210 0.01 1 83 6 6 A H4' H 4.460 0.01 1 84 6 6 A H5' H 4.309 0.01 1 85 6 6 A H5'' H 4.259 0.01 1 86 6 6 A H8 H 8.355 0.01 1 87 6 6 A C1' C 90.374 0.20 1 88 6 6 A C2 C 152.739 0.20 1 89 6 6 A C2' C 77.738 0.20 1 90 6 6 A C3' C 73.870 0.20 1 91 6 6 A C4' C 81.832 0.20 1 92 6 6 A C5' C 65.731 0.20 1 93 6 6 A C8 C 143.029 0.20 1 94 7 7 G H1 H 12.237 0.02 1 95 7 7 G H1' H 5.863 0.01 1 96 7 7 G H2' H 4.505 0.01 1 97 7 7 G H3' H 4.255 0.01 1 98 7 7 G H8 H 7.543 0.01 1 99 7 7 G C1' C 93.290 0.20 1 100 7 7 G C2' C 74.456 0.20 1 101 7 7 G C3' C 75.237 0.20 1 102 7 7 G C8 C 136.608 0.20 1 103 7 7 G N1 N 146.554 0.10 1 104 8 8 G H1 H 12.602 0.02 1 105 8 8 G H1' H 5.739 0.01 1 106 8 8 G H2' H 4.588 0.01 1 107 8 8 G H3' H 4.316 0.01 1 108 8 8 G H8 H 7.087 0.01 1 109 8 8 G C1' C 92.643 0.20 1 110 8 8 G C2' C 75.233 0.20 1 111 8 8 G C3' C 73.167 0.20 1 112 8 8 G C8 C 136.275 0.20 1 113 8 8 G N1 N 147.162 0.10 1 114 9 9 G H1 H 12.595 0.02 1 115 9 9 G H1' H 5.594 0.01 1 116 9 9 G H2' H 4.259 0.01 1 117 9 9 G H3' H 4.453 0.01 1 118 9 9 G H8 H 7.069 0.01 1 119 9 9 G C1' C 93.703 0.20 1 120 9 9 G C2' C 74.843 0.20 1 121 9 9 G C3' C 72.505 0.20 1 122 9 9 G C8 C 136.621 0.20 1 123 9 9 G N1 N 147.201 0.10 1 124 10 10 A H1' H 6.050 0.01 1 125 10 10 A H2 H 7.613 0.01 1 126 10 10 A H2' H 4.144 0.01 1 127 10 10 A H3' H 4.853 0.01 1 128 10 10 A H4' H 4.647 0.01 1 129 10 10 A H5' H 4.346 0.01 1 130 10 10 A H5'' H 4.211 0.01 1 131 10 10 A H8 H 8.291 0.01 1 132 10 10 A H61 H 6.526 0.02 1 133 10 10 A C1' C 93.099 0.20 1 134 10 10 A C2 C 154.144 0.20 1 135 10 10 A C2' C 76.210 0.20 1 136 10 10 A C3' C 74.654 0.20 1 137 10 10 A C4' C 82.605 0.20 1 138 10 10 A C5' C 67.502 0.20 1 139 10 10 A C8 C 140.514 0.20 1 140 10 10 A N6 N 71.934 0.10 1 141 11 11 A H1' H 6.324 0.01 1 142 11 11 A H2 H 8.132 0.01 1 143 11 11 A H2' H 5.328 0.01 1 144 11 11 A H3' H 4.664 0.01 1 145 11 11 A H4' H 4.768 0.01 1 146 11 11 A H5' H 4.388 0.01 1 147 11 11 A H5'' H 4.352 0.01 1 148 11 11 A H8 H 8.828 0.01 1 149 11 11 A C1' C 88.467 0.20 1 150 11 11 A C2 C 155.393 0.20 1 151 11 11 A C2' C 76.046 0.20 1 152 11 11 A C3' C 78.722 0.20 1 153 11 11 A C4' C 87.468 0.20 1 154 11 11 A C5' C 68.428 0.20 1 155 11 11 A C8 C 143.312 0.20 1 156 12 12 C H1' H 5.542 0.01 1 157 12 12 C H2' H 4.894 0.01 1 158 12 12 C H3' H 4.839 0.01 1 159 12 12 C H4' H 4.442 0.01 1 160 12 12 C H5 H 5.998 0.01 1 161 12 12 C H5' H 4.314 0.01 1 162 12 12 C H5'' H 4.653 0.01 1 163 12 12 C H6 H 8.413 0.01 1 164 12 12 C H41 H 7.370 0.02 1 165 12 12 C H42 H 8.595 0.02 1 166 12 12 C C1' C 94.873 0.20 1 167 12 12 C C2' C 75.222 0.20 1 168 12 12 C C3' C 72.506 0.20 1 169 12 12 C C4' C 85.116 0.20 1 170 12 12 C C5 C 97.457 0.20 1 171 12 12 C C5' C 64.954 0.20 1 172 12 12 C C6 C 143.226 0.20 1 173 12 12 C N4 N 97.178 0.10 1 174 13 13 U H1' H 5.908 0.01 1 175 13 13 U H2' H 4.780 0.01 1 176 13 13 U H3 H 15.177 0.02 1 177 13 13 U H3' H 4.653 0.01 1 178 13 13 U H4' H 4.707 0.01 1 179 13 13 U H5 H 5.746 0.01 1 180 13 13 U H6 H 8.243 0.01 1 181 13 13 U C1' C 91.719 0.20 1 182 13 13 U C2' C 74.848 0.20 1 183 13 13 U C3' C 71.785 0.20 1 184 13 13 U C4' C 82.403 0.20 1 185 13 13 U C5 C 102.634 0.20 1 186 13 13 U C6 C 142.674 0.20 1 187 13 13 U N3 N 164.103 0.10 1 188 14 14 C H1' H 5.212 0.01 1 189 14 14 C H2' H 4.210 0.01 1 190 14 14 C H3' H 4.375 0.01 1 191 14 14 C H4' H 3.376 0.01 1 192 14 14 C H5 H 5.684 0.01 1 193 14 14 C H5' H 4.072 0.01 1 194 14 14 C H5'' H 4.548 0.01 1 195 14 14 C H6 H 7.890 0.01 1 196 14 14 C H41 H 6.892 0.02 1 197 14 14 C H42 H 8.117 0.02 1 198 14 14 C C1' C 93.768 0.20 1 199 14 14 C C2' C 74.646 0.20 1 200 14 14 C C3' C 72.303 0.20 1 201 14 14 C C4' C 80.868 0.20 1 202 14 14 C C5 C 97.384 0.20 1 203 14 14 C C5' C 64.153 0.20 1 204 14 14 C C6 C 141.491 0.20 1 205 14 14 C N4 N 98.528 0.10 1 206 15 15 A H1' H 5.750 0.01 1 207 15 15 A H2 H 7.157 0.01 1 208 15 15 A H2' H 4.382 0.01 1 209 15 15 A H3' H 4.625 0.01 1 210 15 15 A H4' H 4.319 0.01 1 211 15 15 A H5' H 4.380 0.01 1 212 15 15 A H5'' H 3.982 0.01 1 213 15 15 A H8 H 7.965 0.01 1 214 15 15 A C1' C 92.737 0.20 1 215 15 15 A C2 C 153.655 0.20 1 216 15 15 A C2' C 75.420 0.20 1 217 15 15 A C3' C 72.121 0.20 1 218 15 15 A C4' C 81.823 0.20 1 219 15 15 A C5' C 64.161 0.20 1 220 15 15 A C8 C 139.249 0.20 1 221 16 16 C H1' H 5.206 0.01 1 222 16 16 C H2' H 4.043 0.01 1 223 16 16 C H3' H 4.418 0.01 1 224 16 16 C H4' H 4.294 0.01 1 225 16 16 C H5 H 5.277 0.01 1 226 16 16 C H5' H 4.110 0.01 1 227 16 16 C H5'' H 4.503 0.01 1 228 16 16 C H6 H 7.478 0.01 1 229 16 16 C H41 H 6.503 0.02 1 230 16 16 C H42 H 8.129 0.02 1 231 16 16 C C1' C 93.298 0.20 1 232 16 16 C C2' C 75.235 0.20 1 233 16 16 C C3' C 71.747 0.20 1 234 16 16 C C4' C 81.458 0.20 1 235 16 16 C C5 C 97.573 0.20 1 236 16 16 C C5' C 64.182 0.20 1 237 16 16 C C6 C 139.922 0.20 1 238 16 16 C N4 N 97.648 0.10 1 239 17 17 G H1 H 12.771 0.02 1 240 17 17 G H1' H 6.017 0.01 1 241 17 17 G H2' H 4.678 0.01 1 242 17 17 G H3' H 4.961 0.01 1 243 17 17 G H4' H 4.439 0.01 1 244 17 17 G H5' H 4.413 0.01 1 245 17 17 G H5'' H 4.079 0.01 1 246 17 17 G H8 H 7.521 0.01 1 247 17 17 G C1' C 91.492 0.20 1 248 17 17 G C2' C 84.743 0.20 1 249 17 17 G C3' C 78.360 0.20 1 250 17 17 G C4' C 85.916 0.20 1 251 17 17 G C5' C 65.922 0.20 1 252 17 17 G C8 C 138.006 0.20 1 253 17 17 G N1 N 146.759 0.10 1 254 18 18 C H1' H 5.820 0.01 1 255 18 18 C H2' H 4.196 0.01 1 256 18 18 C H3' H 4.643 0.01 1 257 18 18 C H4' H 4.440 0.01 1 258 18 18 C H5 H 5.535 0.01 1 259 18 18 C H5' H 4.011 0.01 1 260 18 18 C H5'' H 4.388 0.01 1 261 18 18 C H6 H 7.500 0.01 1 262 18 18 C H42 H 7.003 0.02 1 263 18 18 C C1' C 89.535 0.20 1 264 18 18 C C2' C 75.812 0.20 1 265 18 18 C C3' C 72.114 0.20 1 266 18 18 C C4' C 81.760 0.20 1 267 18 18 C C5 C 99.124 0.20 1 268 18 18 C C5' C 67.067 0.20 1 269 18 18 C C6 C 141.861 0.20 1 270 18 18 C N4 N 95.751 0.10 1 271 19 19 U H1' H 6.108 0.01 1 272 19 19 U H2' H 4.486 0.01 1 273 19 19 U H3 H 11.221 0.02 1 274 19 19 U H3' H 4.559 0.01 1 275 19 19 U H4' H 4.365 0.01 1 276 19 19 U H5 H 6.010 0.01 1 277 19 19 U H5' H 4.073 0.01 1 278 19 19 U H5'' H 4.209 0.01 1 279 19 19 U H6 H 8.076 0.01 1 280 19 19 U C1' C 89.265 0.20 1 281 19 19 U C2' C 76.389 0.20 1 282 19 19 U C3' C 79.899 0.20 1 283 19 19 U C4' C 86.872 0.20 1 284 19 19 U C5 C 105.519 0.20 1 285 19 19 U C5' C 67.844 0.20 1 286 19 19 U C6 C 144.339 0.20 1 287 19 19 U N3 N 157.756 0.10 1 288 20 20 U H1' H 4.969 0.01 1 289 20 20 U H2' H 3.985 0.01 1 290 20 20 U H3 H 10.328 0.02 1 291 20 20 U H3' H 4.467 0.01 1 292 20 20 U H4' H 4.296 0.01 1 293 20 20 U H5 H 5.348 0.01 1 294 20 20 U H5' H 3.896 0.01 1 295 20 20 U H5'' H 4.054 0.01 1 296 20 20 U H6 H 7.746 0.01 1 297 20 20 U C1' C 89.416 0.20 1 298 20 20 U C2' C 77.726 0.20 1 299 20 20 U C3' C 80.465 0.20 1 300 20 20 U C4' C 85.331 0.20 1 301 20 20 U C5 C 104.370 0.20 1 302 20 20 U C5' C 68.405 0.20 1 303 20 20 U C6 C 144.205 0.20 1 304 20 20 U N3 N 155.320 0.10 1 305 21 21 G H1 H 13.192 0.02 1 306 21 21 G H1' H 5.628 0.01 1 307 21 21 G H2' H 4.976 0.01 1 308 21 21 G H3' H 4.849 0.01 1 309 21 21 G H4' H 4.463 0.01 1 310 21 21 G H5' H 4.054 0.01 1 311 21 21 G H5'' H 3.980 0.01 1 312 21 21 G H8 H 8.020 0.01 1 313 21 21 G C1' C 86.859 0.20 1 314 21 21 G C2' C 74.245 0.20 1 315 21 21 G C3' C 77.526 0.20 1 316 21 21 G C4' C 85.333 0.20 1 317 21 21 G C5' C 69.789 0.20 1 318 21 21 G C8 C 137.757 0.20 1 319 21 21 G N1 N 148.612 0.10 1 320 22 22 C H1' H 5.754 0.01 1 321 22 22 C H2' H 4.856 0.01 1 322 22 22 C H3' H 4.640 0.01 1 323 22 22 C H4' H 4.641 0.01 1 324 22 22 C H5 H 5.380 0.01 1 325 22 22 C H5' H 4.354 0.01 1 326 22 22 C H5'' H 4.640 0.01 1 327 22 22 C H6 H 7.578 0.01 1 328 22 22 C H41 H 6.431 0.02 1 329 22 22 C H42 H 8.225 0.02 1 330 22 22 C C1' C 94.248 0.20 1 331 22 22 C C2' C 72.499 0.20 1 332 22 22 C C3' C 83.203 0.20 1 333 22 22 C C4' C 83.582 0.20 1 334 22 22 C C5 C 97.950 0.20 1 335 22 22 C C5' C 69.975 0.20 1 336 22 22 C C6 C 141.893 0.20 1 337 22 22 C N4 N 96.259 0.10 1 338 23 23 G H1 H 13.191 0.02 1 339 23 23 G H1' H 5.802 0.01 1 340 23 23 G H2' H 4.391 0.01 1 341 23 23 G H3' H 4.575 0.01 1 342 23 23 G H4' H 4.516 0.01 1 343 23 23 G H5' H 4.543 0.01 1 344 23 23 G H5'' H 4.180 0.01 1 345 23 23 G H8 H 7.623 0.01 1 346 23 23 G C1' C 93.313 0.20 1 347 23 23 G C2' C 75.414 0.20 1 348 23 23 G C3' C 73.290 0.20 1 349 23 23 G C4' C 82.414 0.20 1 350 23 23 G C5' C 66.098 0.20 1 351 23 23 G C8 C 136.415 0.20 1 352 23 23 G N1 N 147.638 0.10 1 353 24 24 U H1' H 5.854 0.01 1 354 24 24 U H2' H 4.324 0.01 1 355 24 24 U H3' H 4.691 0.01 1 356 24 24 U H4' H 4.469 0.01 1 357 24 24 U H5 H 5.124 0.01 1 358 24 24 U H6 H 7.663 0.01 1 359 24 24 U C1' C 91.002 0.20 1 360 24 24 U C2' C 76.401 0.20 1 361 24 24 U C3' C 76.012 0.20 1 362 24 24 U C4' C 85.329 0.20 1 363 24 24 U C5 C 103.788 0.20 1 364 24 24 U C6 C 142.264 0.20 1 365 25 25 A H1' H 6.159 0.01 1 366 25 25 A H2 H 8.146 0.01 1 367 25 25 A H2' H 4.853 0.01 1 368 25 25 A H3' H 4.852 0.01 1 369 25 25 A H4' H 4.582 0.01 1 370 25 25 A H5' H 4.325 0.01 1 371 25 25 A H5'' H 4.245 0.01 1 372 25 25 A H8 H 8.388 0.01 1 373 25 25 A H61 H 6.003 0.02 1 374 25 25 A C1' C 90.393 0.20 1 375 25 25 A C2 C 155.392 0.20 1 376 25 25 A C2' C 76.010 0.20 1 377 25 25 A C3' C 76.014 0.20 1 378 25 25 A C4' C 84.724 0.20 1 379 25 25 A C5' C 67.469 0.20 1 380 25 25 A C8 C 142.198 0.20 1 381 25 25 A N6 N 78.691 0.10 1 382 26 26 G H1 H 11.733 0.02 1 383 26 26 G H1' H 5.602 0.01 1 384 26 26 G H2' H 4.789 0.01 1 385 26 26 G H3' H 4.577 0.01 1 386 26 26 G H4' H 4.486 0.01 1 387 26 26 G H5' H 4.574 0.01 1 388 26 26 G H5'' H 4.141 0.01 1 389 26 26 G H8 H 7.735 0.01 1 390 26 26 G H21 H 5.657 0.02 1 391 26 26 G C1' C 93.688 0.20 1 392 26 26 G C2' C 74.845 0.20 1 393 26 26 G C3' C 72.503 0.20 1 394 26 26 G C4' C 81.836 0.20 1 395 26 26 G C5' C 64.904 0.20 1 396 26 26 G C8 C 137.786 0.20 1 397 26 26 G N1 N 146.178 0.10 1 398 26 26 G N2 N 71.316 0.10 1 399 27 27 A H1' H 5.873 0.01 1 400 27 27 A H2 H 7.467 0.01 1 401 27 27 A H2' H 4.516 0.01 1 402 27 27 A H3' H 4.782 0.01 1 403 27 27 A H4' H 4.515 0.01 1 404 27 27 A H5' H 4.602 0.01 1 405 27 27 A H5'' H 4.148 0.01 1 406 27 27 A H8 H 7.935 0.01 1 407 27 27 A C1' C 92.926 0.20 1 408 27 27 A C2 C 153.158 0.20 1 409 27 27 A C2' C 75.614 0.20 1 410 27 27 A C3' C 72.317 0.20 1 411 27 27 A C4' C 81.856 0.20 1 412 27 27 A C5' C 64.927 0.20 1 413 27 27 A C8 C 139.523 0.20 1 414 28 28 G H1 H 12.771 0.02 1 415 28 28 G H1' H 6.019 0.01 1 416 28 28 G H2' H 4.200 0.01 1 417 28 28 G H3' H 4.699 0.01 1 418 28 28 G H4' H 4.464 0.01 1 419 28 28 G H5' H 4.616 0.01 1 420 28 28 G H5'' H 4.125 0.01 1 421 28 28 G H8 H 7.361 0.01 1 422 28 28 G H21 H 8.560 0.02 1 423 28 28 G H22 H 8.034 0.02 1 424 28 28 G C1' C 91.498 0.20 1 425 28 28 G C2' C 76.980 0.20 1 426 28 28 G C3' C 71.945 0.20 1 427 28 28 G C4' C 81.248 0.20 1 428 28 28 G C5' C 64.942 0.20 1 429 28 28 G C8 C 136.149 0.20 1 430 28 28 G N1 N 147.913 0.10 1 431 28 28 G N2 N 78.113 0.10 1 432 29 29 G H1 H 12.263 0.02 1 433 29 29 G H1' H 5.924 0.01 1 434 29 29 G H2' H 4.681 0.01 1 435 29 29 G H3' H 4.236 0.01 1 436 29 29 G H4' H 4.416 0.01 1 437 29 29 G H5' H 4.472 0.01 1 438 29 29 G H5'' H 4.230 0.01 1 439 29 29 G H8 H 8.360 0.01 1 440 29 29 G C1' C 94.731 0.20 1 441 29 29 G C2' C 75.620 0.20 1 442 29 29 G C3' C 74.070 0.20 1 443 29 29 G C4' C 83.165 0.20 1 444 29 29 G C5' C 70.953 0.20 1 445 29 29 G C8 C 139.140 0.20 1 446 29 29 G N1 N 147.557 0.10 1 447 30 30 C H1' H 5.551 0.01 1 448 30 30 C H2' H 4.575 0.01 1 449 30 30 C H3' H 4.570 0.01 1 450 30 30 C H4' H 4.432 0.01 1 451 30 30 C H5 H 4.989 0.01 1 452 30 30 C H5' H 4.092 0.01 1 453 30 30 C H5'' H 4.522 0.01 1 454 30 30 C H6 H 7.769 0.01 1 455 30 30 C H41 H 6.457 0.02 1 456 30 30 C H42 H 8.332 0.02 1 457 30 30 C C1' C 93.631 0.20 1 458 30 30 C C2' C 75.303 0.20 1 459 30 30 C C3' C 71.919 0.20 1 460 30 30 C C4' C 81.628 0.20 1 461 30 30 C C5 C 96.311 0.20 1 462 30 30 C C5' C 64.271 0.20 1 463 30 30 C C6 C 141.851 0.20 1 464 30 30 C N4 N 97.067 0.10 1 465 31 31 U H1' H 5.807 0.01 1 466 31 31 U H2' H 4.492 0.01 1 467 31 31 U H3 H 13.837 0.02 1 468 31 31 U H3' H 4.564 0.01 1 469 31 31 U H5 H 4.652 0.01 1 470 31 31 U H6 H 7.578 0.01 1 471 31 31 U C1' C 92.608 0.20 1 472 31 31 U C2' C 76.007 0.20 1 473 31 31 U C3' C 72.302 0.20 1 474 31 31 U C5 C 102.258 0.20 1 475 31 31 U C6 C 141.894 0.20 1 476 31 31 U N3 N 160.003 0.10 1 477 32 32 A H1' H 6.312 0.01 1 478 32 32 A H2 H 8.085 0.01 1 479 32 32 A H2' H 4.504 0.01 1 480 32 32 A H3' H 4.556 0.01 1 481 32 32 A H4' H 4.614 0.01 1 482 32 32 A H5' H 4.438 0.01 1 483 32 32 A H5'' H 4.071 0.01 1 484 32 32 A H8 H 8.843 0.01 1 485 32 32 A C1' C 88.722 0.20 1 486 32 32 A C2 C 156.284 0.20 1 487 32 32 A C2' C 75.598 0.20 1 488 32 32 A C3' C 72.520 0.20 1 489 32 32 A C4' C 82.432 0.20 1 490 32 32 A C5' C 65.321 0.20 1 491 32 32 A C8 C 141.851 0.20 1 492 33 33 A H1' H 6.266 0.01 1 493 33 33 A H2 H 8.324 0.01 1 494 33 33 A H2' H 4.938 0.01 1 495 33 33 A H3' H 4.956 0.01 1 496 33 33 A H4' H 4.751 0.01 1 497 33 33 A H5' H 4.443 0.01 1 498 33 33 A H5'' H 4.281 0.01 1 499 33 33 A H8 H 8.515 0.01 1 500 33 33 A C1' C 89.063 0.20 1 501 33 33 A C2 C 155.822 0.20 1 502 33 33 A C2' C 76.234 0.20 1 503 33 33 A C3' C 78.354 0.20 1 504 33 33 A C4' C 86.705 0.20 1 505 33 33 A C5' C 68.632 0.20 1 506 33 33 A C8 C 142.465 0.20 1 507 34 34 G H1 H 12.513 0.02 1 508 34 34 G H1' H 4.656 0.01 1 509 34 34 G H2' H 4.298 0.01 1 510 34 34 G H3' H 4.452 0.01 1 511 34 34 G H4' H 4.451 0.01 1 512 34 34 G H5' H 4.527 0.01 1 513 34 34 G H5'' H 4.058 0.01 1 514 34 34 G H8 H 7.197 0.01 1 515 34 34 G C1' C 93.098 0.20 1 516 34 34 G C2' C 74.640 0.20 1 517 34 34 G C3' C 72.507 0.20 1 518 34 34 G C4' C 81.963 0.20 1 519 34 34 G C5' C 64.820 0.20 1 520 34 34 G C8 C 137.977 0.20 1 521 34 34 G N1 N 148.203 0.10 1 522 35 35 U H1' H 5.542 0.01 1 523 35 35 U H2' H 4.560 0.01 1 524 35 35 U H3 H 13.888 0.02 1 525 35 35 U H3' H 4.633 0.01 1 526 35 35 U H4' H 4.477 0.01 1 527 35 35 U H5 H 5.075 0.01 1 528 35 35 U H6 H 7.930 0.01 1 529 35 35 U C1' C 93.322 0.20 1 530 35 35 U C2' C 75.180 0.20 1 531 35 35 U C3' C 72.141 0.20 1 532 35 35 U C4' C 81.985 0.20 1 533 35 35 U C5 C 102.464 0.20 1 534 35 35 U C6 C 142.072 0.20 1 535 35 35 U N3 N 162.588 0.10 1 536 36 36 G H1 H 12.596 0.02 1 537 36 36 G H1' H 5.835 0.01 1 538 36 36 G H2' H 4.482 0.01 1 539 36 36 G H3' H 4.597 0.01 1 540 36 36 G H4' H 4.482 0.01 1 541 36 36 G H5' H 4.560 0.01 1 542 36 36 G H5'' H 4.136 0.01 1 543 36 36 G H8 H 7.727 0.01 1 544 36 36 G C1' C 92.356 0.20 1 545 36 36 G C2' C 75.425 0.20 1 546 36 36 G C3' C 72.505 0.20 1 547 36 36 G C4' C 81.836 0.20 1 548 36 36 G C5' C 64.922 0.20 1 549 36 36 G C8 C 136.156 0.20 1 550 36 36 G N1 N 147.418 0.10 1 551 37 37 C H1' H 5.451 0.01 1 552 37 37 C H2' H 4.260 0.01 1 553 37 37 C H3' H 4.382 0.01 1 554 37 37 C H4' H 4.339 0.01 1 555 37 37 C H5 H 5.195 0.01 1 556 37 37 C H5' H 4.065 0.01 1 557 37 37 C H5'' H 4.514 0.01 1 558 37 37 C H6 H 7.470 0.01 1 559 37 37 C H41 H 6.637 0.02 1 560 37 37 C H42 H 8.402 0.02 1 561 37 37 C C1' C 93.686 0.20 1 562 37 37 C C2' C 75.601 0.20 1 563 37 37 C C3' C 72.061 0.20 1 564 37 37 C C4' C 82.024 0.20 1 565 37 37 C C5 C 97.344 0.20 1 566 37 37 C C5' C 64.530 0.20 1 567 37 37 C C6 C 140.318 0.20 1 568 37 37 C N4 N 99.384 0.10 1 569 38 38 U H1' H 5.644 0.01 1 570 38 38 U H2' H 3.770 0.01 1 571 38 38 U H3' H 4.531 0.01 1 572 38 38 U H4' H 4.362 0.01 1 573 38 38 U H5 H 5.707 0.01 1 574 38 38 U H5' H 4.079 0.01 1 575 38 38 U H5'' H 4.532 0.01 1 576 38 38 U H6 H 7.776 0.01 1 577 38 38 U C1' C 94.464 0.20 1 578 38 38 U C2' C 75.993 0.20 1 579 38 38 U C3' C 73.105 0.20 1 580 38 38 U C4' C 82.419 0.20 1 581 38 38 U C5 C 105.051 0.20 1 582 38 38 U C5' C 64.500 0.20 1 583 38 38 U C6 C 140.746 0.20 1 584 39 39 U H1' H 6.100 0.01 1 585 39 39 U H2' H 4.655 0.01 1 586 39 39 U H3' H 4.021 0.01 1 587 39 39 U H4' H 4.484 0.01 1 588 39 39 U H5 H 5.860 0.01 1 589 39 39 U H5' H 4.024 0.01 1 590 39 39 U H5'' H 4.239 0.01 1 591 39 39 U H6 H 8.023 0.01 1 592 39 39 U C1' C 89.271 0.20 1 593 39 39 U C2' C 74.620 0.20 1 594 39 39 U C3' C 77.751 0.20 1 595 39 39 U C4' C 86.927 0.20 1 596 39 39 U C5 C 105.514 0.20 1 597 39 39 U C5' C 67.847 0.20 1 598 39 39 U C6 C 144.641 0.20 1 599 40 40 C H1' H 5.961 0.01 1 600 40 40 C H2' H 4.107 0.01 1 601 40 40 C H3' H 4.502 0.01 1 602 40 40 C H4' H 3.810 0.01 1 603 40 40 C H5 H 6.129 0.01 1 604 40 40 C H5' H 2.719 0.01 1 605 40 40 C H5'' H 3.620 0.01 1 606 40 40 C H6 H 7.701 0.01 1 607 40 40 C H41 H 6.180 0.02 1 608 40 40 C H42 H 7.043 0.02 1 609 40 40 C C1' C 89.159 0.20 1 610 40 40 C C2' C 77.572 0.20 1 611 40 40 C C3' C 80.284 0.20 1 612 40 40 C C4' C 84.558 0.20 1 613 40 40 C C5 C 98.539 0.20 1 614 40 40 C C5' C 67.299 0.20 1 615 40 40 C C6 C 142.828 0.20 1 616 40 40 C N4 N 93.721 0.10 1 617 41 41 G H1 H 9.867 0.02 1 618 41 41 G H1' H 5.979 0.01 1 619 41 41 G H2' H 4.842 0.01 1 620 41 41 G H3' H 5.638 0.01 1 621 41 41 G H4' H 4.430 0.01 1 622 41 41 G H5' H 4.428 0.01 1 623 41 41 G H5'' H 4.207 0.01 1 624 41 41 G H8 H 7.871 0.01 1 625 41 41 G C1' C 94.569 0.20 1 626 41 41 G C2' C 77.187 0.20 1 627 41 41 G C3' C 75.822 0.20 1 628 41 41 G C4' C 83.150 0.20 1 629 41 41 G C5' C 69.018 0.20 1 630 41 41 G C8 C 143.008 0.20 1 631 41 41 G N1 N 143.362 0.10 1 632 42 42 G H1 H 13.339 0.02 1 633 42 42 G H1' H 4.430 0.01 1 634 42 42 G H2' H 4.420 0.01 1 635 42 42 G H3' H 4.506 0.01 1 636 42 42 G H4' H 4.424 0.01 1 637 42 42 G H8 H 8.344 0.01 1 638 42 42 G C1' C 93.291 0.20 1 639 42 42 G C2' C 75.053 0.20 1 640 42 42 G C3' C 73.675 0.20 1 641 42 42 G C4' C 82.431 0.20 1 642 42 42 G C8 C 139.007 0.20 1 643 42 42 G N1 N 148.287 0.10 1 644 43 43 C H1' H 5.481 0.01 1 645 43 43 C H2' H 4.270 0.01 1 646 43 43 C H3' H 4.530 0.01 1 647 43 43 C H4' H 4.400 0.01 1 648 43 43 C H5 H 5.270 0.01 1 649 43 43 C H6 H 7.796 0.01 1 650 43 43 C H41 H 6.731 0.02 1 651 43 43 C H42 H 8.563 0.02 1 652 43 43 C C1' C 93.694 0.20 1 653 43 43 C C2' C 75.597 0.20 1 654 43 43 C C3' C 71.925 0.20 1 655 43 43 C C4' C 81.737 0.20 1 656 43 43 C C5 C 96.971 0.20 1 657 43 43 C C6 C 141.271 0.20 1 658 43 43 C N4 N 97.789 0.10 1 659 44 44 A H1' H 5.937 0.01 1 660 44 44 A H2 H 7.284 0.01 1 661 44 44 A H2' H 4.493 0.01 1 662 44 44 A H3' H 4.608 0.01 1 663 44 44 A H4' H 4.552 0.01 1 664 44 44 A H5' H 4.585 0.01 1 665 44 44 A H5'' H 4.190 0.01 1 666 44 44 A H8 H 8.010 0.01 1 667 44 44 A C1' C 92.906 0.20 1 668 44 44 A C2 C 152.890 0.20 1 669 44 44 A C2' C 75.465 0.20 1 670 44 44 A C3' C 72.491 0.20 1 671 44 44 A C4' C 81.832 0.20 1 672 44 44 A C5' C 65.108 0.20 1 673 44 44 A C8 C 139.293 0.20 1 674 45 45 C H1' H 5.438 0.01 1 675 45 45 C H2' H 4.108 0.01 1 676 45 45 C H3' H 4.490 0.01 1 677 45 45 C H4' H 4.488 0.01 1 678 45 45 C H5 H 4.939 0.01 1 679 45 45 C H5' H 4.180 0.01 1 680 45 45 C H5'' H 4.605 0.01 1 681 45 45 C H6 H 7.366 0.01 1 682 45 45 C H41 H 6.475 0.02 1 683 45 45 C H42 H 7.525 0.02 1 684 45 45 C C1' C 93.457 0.20 1 685 45 45 C C2' C 75.478 0.20 1 686 45 45 C C3' C 71.927 0.20 1 687 45 45 C C4' C 81.836 0.20 1 688 45 45 C C5 C 96.616 0.20 1 689 45 45 C C5' C 64.559 0.20 1 690 45 45 C C6 C 140.502 0.20 1 691 45 45 C N4 N 95.592 0.10 1 692 46 46 A H1' H 5.739 0.01 1 693 46 46 A H2 H 7.705 0.01 1 694 46 46 A H2' H 4.757 0.01 1 695 46 46 A H3' H 4.665 0.01 1 696 46 46 A H4' H 4.501 0.01 1 697 46 46 A H5' H 4.621 0.01 1 698 46 46 A H5'' H 4.212 0.01 1 699 46 46 A H8 H 7.907 0.01 1 700 46 46 A C1' C 92.770 0.20 1 701 46 46 A C2 C 153.684 0.20 1 702 46 46 A C2' C 76.203 0.20 1 703 46 46 A C3' C 73.872 0.20 1 704 46 46 A C4' C 81.835 0.20 1 705 46 46 A C5' C 64.561 0.20 1 706 46 46 A C8 C 140.296 0.20 1 707 47 47 G H1 H 13.193 0.02 1 708 47 47 G H1' H 5.744 0.01 1 709 47 47 G H2' H 4.488 0.01 1 710 47 47 G H3' H 4.640 0.01 1 711 47 47 G H4' H 4.314 0.01 1 712 47 47 G H5' H 4.488 0.01 1 713 47 47 G H5'' H 4.055 0.01 1 714 47 47 G H8 H 7.515 0.01 1 715 47 47 G C1' C 92.901 0.20 1 716 47 47 G C2' C 75.511 0.20 1 717 47 47 G C3' C 72.215 0.20 1 718 47 47 G C4' C 82.016 0.20 1 719 47 47 G C5' C 64.174 0.20 1 720 47 47 G C8 C 136.209 0.20 1 721 47 47 G N1 N 147.636 0.10 1 722 48 48 C H1' H 5.434 0.01 1 723 48 48 C H2' H 4.435 0.01 1 724 48 48 C H3' H 4.230 0.01 1 725 48 48 C H4' H 4.435 0.01 1 726 48 48 C H5 H 5.025 0.01 1 727 48 48 C H5' H 4.090 0.01 1 728 48 48 C H5'' H 4.507 0.01 1 729 48 48 C H6 H 7.473 0.01 1 730 48 48 C H41 H 6.466 0.02 1 731 48 48 C H42 H 7.560 0.02 1 732 48 48 C C1' C 93.690 0.20 1 733 48 48 C C2' C 75.414 0.20 1 734 48 48 C C3' C 71.763 0.20 1 735 48 48 C C4' C 81.736 0.20 1 736 48 48 C C5 C 97.021 0.20 1 737 48 48 C C5' C 64.185 0.20 1 738 48 48 C C6 C 139.929 0.20 1 739 48 48 C N4 N 97.672 0.10 1 740 49 49 A H1' H 5.858 0.01 1 741 49 49 A H2 H 6.883 0.01 1 742 49 49 A H2' H 4.461 0.01 1 743 49 49 A H3' H 4.356 0.01 1 744 49 49 A H4' H 4.443 0.01 1 745 49 49 A H5' H 4.452 0.01 1 746 49 49 A H5'' H 4.049 0.01 1 747 49 49 A H8 H 7.774 0.01 1 748 49 49 A C1' C 93.683 0.20 1 749 49 49 A C2 C 153.698 0.20 1 750 49 49 A C2' C 75.206 0.20 1 751 49 49 A C3' C 72.902 0.20 1 752 49 49 A C4' C 82.435 0.20 1 753 49 49 A C5' C 65.343 0.20 1 754 49 49 A C8 C 138.945 0.20 1 755 50 50 C H1' H 5.607 0.01 1 756 50 50 C H2' H 4.077 0.01 1 757 50 50 C H3' H 4.541 0.01 1 758 50 50 C H4' H 4.374 0.01 1 759 50 50 C H5 H 5.289 0.01 1 760 50 50 C H5' H 4.020 0.01 1 761 50 50 C H5'' H 4.425 0.01 1 762 50 50 C H6 H 7.384 0.01 1 763 50 50 C H42 H 6.577 0.02 1 764 50 50 C C1' C 91.576 0.20 1 765 50 50 C C2' C 76.393 0.20 1 766 50 50 C C3' C 76.202 0.20 1 767 50 50 C C4' C 84.160 0.20 1 768 50 50 C C5 C 97.569 0.20 1 769 50 50 C C5' C 65.879 0.20 1 770 50 50 C C6 C 141.453 0.20 1 771 50 50 C N4 N 69.955 0.10 1 772 51 51 A H1' H 5.928 0.01 1 773 51 51 A H2 H 7.740 0.01 1 774 51 51 A H2' H 4.945 0.01 1 775 51 51 A H3' H 4.575 0.01 1 776 51 51 A H4' H 4.535 0.01 1 777 51 51 A H5' H 4.556 0.01 1 778 51 51 A H5'' H 4.197 0.01 1 779 51 51 A H8 H 8.299 0.01 1 780 51 51 A H61 H 6.813 0.02 1 781 51 51 A C1' C 93.882 0.20 1 782 51 51 A C2 C 152.928 0.20 1 783 51 51 A C2' C 75.136 0.20 1 784 51 51 A C3' C 74.468 0.20 1 785 51 51 A C4' C 82.999 0.20 1 786 51 51 A C5' C 64.547 0.20 1 787 51 51 A C8 C 141.483 0.20 1 788 51 51 A N6 N 78.673 0.10 1 789 52 52 A H1' H 5.865 0.01 1 790 52 52 A H2 H 7.935 0.01 1 791 52 52 A H2' H 4.429 0.01 1 792 52 52 A H3' H 4.746 0.01 1 793 52 52 A H4' H 4.522 0.01 1 794 52 52 A H5' H 4.583 0.01 1 795 52 52 A H5'' H 4.182 0.01 1 796 52 52 A H8 H 8.032 0.01 1 797 52 52 A H61 H 6.875 0.02 1 798 52 52 A C1' C 91.812 0.20 1 799 52 52 A C2 C 154.678 0.20 1 800 52 52 A C2' C 76.393 0.20 1 801 52 52 A C3' C 72.732 0.20 1 802 52 52 A C4' C 81.848 0.20 1 803 52 52 A C5' C 64.924 0.20 1 804 52 52 A C8 C 139.299 0.20 1 805 52 52 A N6 N 78.207 0.10 1 806 53 53 G H1 H 14.323 0.02 1 807 53 53 G H1' H 5.758 0.01 1 808 53 53 G H2' H 4.527 0.01 1 809 53 53 G H3' H 4.605 0.01 1 810 53 53 G H4' H 4.486 0.01 1 811 53 53 G H5' H 4.530 0.01 1 812 53 53 G H5'' H 4.142 0.01 1 813 53 53 G H8 H 7.368 0.01 1 814 53 53 G H21 H 7.859 0.02 1 815 53 53 G H22 H 6.359 0.02 1 816 53 53 G C1' C 92.187 0.20 1 817 53 53 G C2' C 75.605 0.20 1 818 53 53 G C3' C 72.494 0.20 1 819 53 53 G C4' C 81.953 0.20 1 820 53 53 G C5' C 64.951 0.20 1 821 53 53 G C8 C 136.143 0.20 1 822 53 53 G N1 N 153.129 0.10 1 823 53 53 G N2 N 81.428 0.10 1 824 54 54 C H1' H 5.590 0.01 1 825 54 54 C H2' H 4.297 0.01 1 826 54 54 C H3' H 4.520 0.01 1 827 54 54 C H4' H 4.460 0.01 1 828 54 54 C H5 H 5.136 0.01 1 829 54 54 C H5' H 4.094 0.01 1 830 54 54 C H5'' H 4.604 0.01 1 831 54 54 C H6 H 7.644 0.01 1 832 54 54 C H41 H 6.649 0.02 1 833 54 54 C H42 H 8.169 0.02 1 834 54 54 C C1' C 94.533 0.20 1 835 54 54 C C2' C 75.238 0.20 1 836 54 54 C C3' C 71.925 0.20 1 837 54 54 C C4' C 82.425 0.20 1 838 54 54 C C5 C 97.001 0.20 1 839 54 54 C C5' C 64.180 0.20 1 840 54 54 C C6 C 140.870 0.20 1 841 54 54 C N4 N 97.969 0.10 1 842 55 55 C H1' H 5.484 0.01 1 843 55 55 C H2' H 4.745 0.01 1 844 55 55 C H3' H 4.547 0.01 1 845 55 55 C H5 H 5.320 0.01 1 846 55 55 C H6 H 7.883 0.01 1 847 55 55 C H41 H 6.684 0.02 1 848 55 55 C H42 H 8.482 0.02 1 849 55 55 C C1' C 94.469 0.20 1 850 55 55 C C2' C 75.026 0.20 1 851 55 55 C C3' C 71.920 0.20 1 852 55 55 C C5 C 96.979 0.20 1 853 55 55 C C6 C 141.490 0.20 1 854 55 55 C N4 N 97.742 0.10 1 855 56 56 C H1' H 5.416 0.01 1 856 56 56 C H2' H 4.543 0.01 1 857 56 56 C H3' H 4.370 0.01 1 858 56 56 C H4' H 4.370 0.01 1 859 56 56 C H5 H 5.414 0.01 1 860 56 56 C H6 H 7.788 0.01 1 861 56 56 C H41 H 6.511 0.02 1 862 56 56 C H42 H 8.154 0.02 1 863 56 56 C C1' C 93.850 0.20 1 864 56 56 C C2' C 75.619 0.20 1 865 56 56 C C3' C 72.140 0.20 1 866 56 56 C C4' C 81.760 0.20 1 867 56 56 C C5 C 97.813 0.20 1 868 56 56 C C6 C 141.272 0.20 1 869 56 56 C N4 N 98.029 0.10 1 870 57 57 G H1 H 12.847 0.02 1 871 57 57 G H1' H 5.673 0.01 1 872 57 57 G H2' H 4.472 0.01 1 873 57 57 G H3' H 4.650 0.01 1 874 57 57 G H4' H 4.472 0.01 1 875 57 57 G H5' H 4.516 0.01 1 876 57 57 G H5'' H 4.136 0.01 1 877 57 57 G H8 H 7.617 0.01 1 878 57 57 G C1' C 92.896 0.20 1 879 57 57 G C2' C 75.070 0.20 1 880 57 57 G C3' C 72.245 0.20 1 881 57 57 G C4' C 81.839 0.20 1 882 57 57 G C5' C 64.184 0.20 1 883 57 57 G C8 C 136.041 0.20 1 884 57 57 G N1 N 147.847 0.10 1 885 58 58 C H1' H 5.489 0.01 1 886 58 58 C H2' H 4.530 0.01 1 887 58 58 C H3' H 4.587 0.01 1 888 58 58 C H4' H 4.431 0.01 1 889 58 58 C H5 H 5.265 0.01 1 890 58 58 C H5' H 4.089 0.01 1 891 58 58 C H5'' H 4.529 0.01 1 892 58 58 C H6 H 7.782 0.01 1 893 58 58 C H41 H 6.639 0.02 1 894 58 58 C H42 H 8.452 0.02 1 895 58 58 C C1' C 93.775 0.20 1 896 58 58 C C2' C 75.231 0.20 1 897 58 58 C C3' C 71.920 0.20 1 898 58 58 C C4' C 81.814 0.20 1 899 58 58 C C5 C 96.974 0.20 1 900 58 58 C C5' C 64.186 0.20 1 901 58 58 C C6 C 140.742 0.20 1 902 58 58 C N4 N 99.385 0.10 1 903 59 59 U H1' H 5.536 0.01 1 904 59 59 U H2' H 4.556 0.01 1 905 59 59 U H3 H 13.505 0.02 1 906 59 59 U H3' H 4.626 0.01 1 907 59 59 U H4' H 4.485 0.01 1 908 59 59 U H5 H 5.410 0.01 1 909 59 59 U H6 H 7.941 0.01 1 910 59 59 U C1' C 93.324 0.20 1 911 59 59 U C2' C 75.247 0.20 1 912 59 59 U C3' C 72.174 0.20 1 913 59 59 U C4' C 82.014 0.20 1 914 59 59 U C5 C 103.400 0.20 1 915 59 59 U C6 C 141.650 0.20 1 916 59 59 U N3 N 161.672 0.10 1 917 60 60 G H1 H 12.600 0.02 1 918 60 60 G H1' H 5.792 0.01 1 919 60 60 G H2' H 4.478 0.01 1 920 60 60 G H3' H 4.591 0.01 1 921 60 60 G H4' H 4.478 0.01 1 922 60 60 G H5' H 4.587 0.01 1 923 60 60 G H5'' H 4.133 0.01 1 924 60 60 G H8 H 7.721 0.01 1 925 60 60 G C1' C 92.716 0.20 1 926 60 60 G C2' C 75.432 0.20 1 927 60 60 G C3' C 72.510 0.20 1 928 60 60 G C4' C 81.838 0.20 1 929 60 60 G C5' C 64.961 0.20 1 930 60 60 G C8 C 136.154 0.20 1 931 60 60 G N1 N 147.633 0.10 1 932 61 61 C H1' H 5.785 0.01 1 933 61 61 C H2' H 4.362 0.01 1 934 61 61 C H3' H 4.434 0.01 1 935 61 61 C H4' H 4.334 0.01 1 936 61 61 C H5 H 5.197 0.01 1 937 61 61 C H6 H 7.464 0.01 1 938 61 61 C H41 H 6.535 0.02 1 939 61 61 C H42 H 8.177 0.02 1 940 61 61 C C1' C 92.728 0.20 1 941 61 61 C C2' C 74.651 0.20 1 942 61 61 C C3' C 71.755 0.20 1 943 61 61 C C4' C 81.646 0.20 1 944 61 61 C C5 C 97.262 0.20 1 945 61 61 C C6 C 139.953 0.20 1 946 61 61 C N4 N 98.520 0.10 1 947 62 62 G H1' H 5.770 0.01 1 948 62 62 G H2' H 4.029 0.01 1 949 62 62 G H3' H 4.234 0.01 1 950 62 62 G H4' H 4.185 0.01 1 951 62 62 G H8 H 7.606 0.01 1 952 62 62 G C1' C 91.737 0.20 1 953 62 62 G C2' C 77.761 0.20 1 954 62 62 G C3' C 70.281 0.20 1 955 62 62 G C4' C 83.947 0.20 1 956 62 62 G C8 C 137.521 0.20 1 stop_ save_