data_25777 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR structure of Tetrahymena telomerase RNA pseudoknot ; _BMRB_accession_number 25777 _BMRB_flat_file_name bmr25777.str _Entry_type original _Submission_date 2015-08-27 _Accession_date 2015-08-27 _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 Cash Darian D. . 2 Feigon Juli . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 184 "13C chemical shifts" 80 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-08-04 update BMRB 'update entry citation' 2015-10-26 original author 'original release' stop_ _Original_release_date 2015-10-26 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structure of Tetrahymena telomerase reveals new subunits, functions, and interactions ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26472759 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Jiang Jiansen . . 2 Chan Henry . . 3 Cash Darian D. . 4 Miracco Edward J. . 5 'Ogorzalek Loo' Rachel R. . 6 Cascio Dulio . . 7 "O'Brien Johnson" Reid . . 8 Upton Heather E. . 9 Collins Kathleen . . 10 Loo Joseph A. . 11 Zhou Hong . . 12 Feigon Juli . . stop_ _Journal_abbreviation Science _Journal_volume 350 _Journal_issue 6260 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 4070 _Page_last 4070 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Tetrahymena telomerase RNA pseudoknot' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'RNA (31-MER)' $RNA_(31-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_(31-MER) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common RNA_(31-MER) _Molecular_mass 9888.990 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 31 _Mol_residue_sequence ; XACCUUCACCAAUUAGGUUC AAAUAAGUGGU ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 2 ADN 2 3 A 3 4 C 4 5 C 5 6 U 6 7 U 7 8 C 8 9 A 9 10 C 10 11 C 11 12 A 12 13 A 13 14 U 14 15 U 15 16 A 16 17 G 17 18 G 18 19 U 19 20 U 20 21 C 21 22 A 22 23 A 23 24 A 24 25 U 25 26 A 26 27 A 27 28 G 28 29 U 29 30 G 30 31 G 31 32 U stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ###################### # Polymer residues # ###################### save_chem_comp_ADN _Saveframe_category polymer_residue _Mol_type NON-POLYMER _Name_common ADENOSINE _BMRB_code ADN _PDB_code ADN _Standard_residue_derivative . _Molecular_mass 267.241 _Mol_paramagnetic . _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons O5' O5' O . 0 . ? C5' C5' C . 0 . ? C4' C4' C . 0 . ? O4' O4' O . 0 . ? C3' C3' C . 0 . ? O3' O3' O . 0 . ? C2' C2' C . 0 . ? O2' O2' O . 0 . ? C1' C1' C . 0 . ? N9 N9 N . 0 . ? C8 C8 C . 0 . ? N7 N7 N . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? N6 N6 N . 0 . ? N1 N1 N . 0 . ? C2 C2 C . 0 . ? N3 N3 N . 0 . ? C4 C4 C . 0 . ? HO5' HO5' H . 0 . ? H5'1 H5'1 H . 0 . ? H5'2 H5'2 H . 0 . ? H4' H4' H . 0 . ? H3' H3' H . 0 . ? HO3' HO3' H . 0 . ? H2' H2' H . 0 . ? HO2' HO2' H . 0 . ? H1' H1' H . 0 . ? H8 H8 H . 0 . ? HN61 HN61 H . 0 . ? HN62 HN62 H . 0 . ? H2 H2 H . 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 SING O5' C5' ? ? SING O5' HO5' ? ? SING C5' C4' ? ? SING C5' H5'1 ? ? SING C5' H5'2 ? ? 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 ? ? SING C6 N6 ? ? DOUB C6 N1 ? ? SING N6 HN61 ? ? SING N6 HN62 ? ? SING N1 C2 ? ? DOUB C2 N3 ? ? SING C2 H2 ? ? 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_(31-MER) ciliates 5911 Eukaryota . Tetrahymena thermophila stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $RNA_(31-MER) 'chemical synthesis' . . . . 'not applicable' 'not applicable' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNA_(31-MER) 10 mM 'natural abundance' 'sodium phosphate' 10 mM 'natural abundance' KCl 50 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2_D2O _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNA_(31-MER) 10 mM 'natural abundance' 'sodium phosphate' 10 mM 'natural abundance' KCl 50 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_sample_3_AU _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNA_(31-MER) 10 mM 'natural abundance' 'sodium phosphate' 10 mM 'natural abundance' KCl 50 mM 'natural abundance' ADENOSINE-5'-MONOPHOSPHATE 100 % '[U-13C; U-15N]' URIDINE-5'-MONOPHOSPHATE 100 % '[U-13C; U-15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_4_GC _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNA_(31-MER) 10 mM 'natural abundance' 'sodium phosphate' 10 mM 'natural abundance' KCl 50 mM 'natural abundance' CYTIDINE-5'-MONOPHOSPHATE 100 % '[U-13C; U-15N]' GUANOSINE-5'-MONOPHOSPHATE 100 % '[U-13C; U-15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_5_AUGC _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNA_(31-MER) 10 mM 'natural abundance' 'sodium phosphate' 10 mM 'natural abundance' KCl 50 mM 'natural abundance' CYTIDINE-5'-MONOPHOSPHATE 100 % '[U-13C; U-15N]' GUANOSINE-5'-MONOPHOSPHATE 100 % '[U-13C; U-15N]' ADENOSINE-5'-MONOPHOSPHATE 100 % '[U-13C; U-15N]' CYTIDINE-5'-MONOPHOSPHATE 100 % '[U-13C; U-15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ 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 'structure solution' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_imino_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D imino NOESY' _Sample_label $sample_1 save_ save_2D_D2O_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D D2O NOESY' _Sample_label $sample_2_D2O save_ save_2D_1H-13C_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_3_AU save_ save_2D_1H-13C_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_4_GC save_ save_2D_TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY' _Sample_label $sample_2_D2O save_ save_2D_1H-15N_HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_3_AU save_ save_2D_1H-15N_HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_4_GC save_ save_jNN-COSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name jNN-COSY _Sample_label $sample_3_AU save_ save_jNN-COSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name jNN-COSY _Sample_label $sample_4_GC save_ save_2D_HCCH-COSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HCCH-COSY' _Sample_label $sample_3_AU save_ save_2D_HCCH-COSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HCCH-COSY' _Sample_label $sample_4_GC save_ save_3D_HCCH-TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_3_AU save_ save_3D_HCCH-TOCSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_4_GC save_ save_2D_filtered/edited_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D filtered/edited NOESY' _Sample_label $sample_3_AU save_ save_2D_filtered/edited_NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D filtered/edited NOESY' _Sample_label $sample_4_GC save_ save_2D-HSQC-TROSY_16 _Saveframe_category NMR_applied_experiment _Experiment_name 2D-HSQC-TROSY _Sample_label $sample_5_AUGC save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 6.3 . pH pressure 1 . atm temperature 283 . 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 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_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D imino NOESY' '2D D2O NOESY' '2D 1H-13C HSQC' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $sample_1 $sample_2_D2O $sample_3_AU $sample_4_GC stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'RNA (31-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 2 1 ADN C2 C 150.7 0.010 1 2 2 1 ADN C2' C 75.36 0.010 1 3 2 1 ADN C8 C 139.1 0.010 1 4 2 1 ADN H1' H 5.982 0.010 1 5 2 1 ADN H2 H 7.318 0.010 1 6 2 1 ADN H2' H 4.919 0.010 1 7 2 1 ADN H3' H 4.707 0.010 1 8 2 1 ADN H8 H 8.554 0.010 1 9 3 2 A H1' H 6.163 0.010 1 10 3 2 A H2 H 8.194 0.010 1 11 3 2 A H2' H 4.909 0.010 1 12 3 2 A H3' H 4.767 0.010 1 13 3 2 A H4' H 4.699 0.010 1 14 3 2 A H8 H 8.205 0.010 1 15 3 2 A C1' C 92.56 0.010 1 16 3 2 A C2 C 151.9 0.010 1 17 3 2 A C2' C 75.61 0.010 1 18 3 2 A C3' C 72.97 0.010 1 19 3 2 A C4' C 82.16 0.010 1 20 3 2 A C8 C 137.2 0.010 1 21 4 3 C H1' H 5.585 0.010 1 22 4 3 C H2' H 4.29 0.010 1 23 4 3 C H3' H 4.421 0.010 1 24 4 3 C H4' H 4.613 0.010 1 25 4 3 C H5 H 5.436 0.010 1 26 4 3 C H6 H 7.464 0.010 1 27 4 3 C H41 H 8.505 0.010 1 28 4 3 C H42 H 7.162 0.010 1 29 4 3 C C6 C 138.3 0.010 1 30 5 4 C H1' H 5.584 0.010 1 31 5 4 C H2' H 4.78 0.010 1 32 5 4 C H3' H 4.406 0.010 1 33 5 4 C H4' H 4.075 0.010 1 34 5 4 C H5 H 5.595 0.010 1 35 5 4 C H6 H 7.848 0.010 1 36 5 4 C H41 H 8.573 0.010 1 37 5 4 C H42 H 6.95 0.010 1 38 5 4 C C5 C 97.85 0.010 1 39 5 4 C C6 C 139.5 0.010 1 40 6 5 U H1' H 6.094 0.010 1 41 6 5 U H5 H 5.9 0.010 1 42 6 5 U H6 H 7.943 0.010 1 43 7 6 U H1' H 5.791 0.010 1 44 7 6 U H2' H 3.915 0.010 1 45 7 6 U H3 H 13.72 0.010 1 46 7 6 U H3' H 4.729 0.010 1 47 7 6 U H4' H 4.644 0.010 1 48 7 6 U H5 H 5.991 0.010 1 49 7 6 U H6 H 7.961 0.010 1 50 7 6 U C1' C 92.53 0.010 1 51 7 6 U C2' C 76.71 0.010 1 52 7 6 U C5 C 105.9 0.010 1 53 7 6 U C6 C 142 0.010 1 54 8 7 C H1' H 5.987 0.010 1 55 8 7 C H2' H 4.633 0.010 1 56 8 7 C H3' H 4.688 0.010 1 57 8 7 C H5 H 5.888 0.010 1 58 8 7 C H6 H 7.944 0.010 1 59 8 7 C H41 H 6.809 0.010 1 60 8 7 C H42 H 5.884 0.010 1 61 9 8 A H1' H 6.14 0.010 1 62 9 8 A H2 H 7.547 0.010 1 63 9 8 A H2' H 4.73 0.010 1 64 9 8 A H3' H 4.861 0.010 1 65 9 8 A H4' H 4.642 0.010 1 66 9 8 A H8 H 8.792 0.010 1 67 9 8 A C1' C 93.54 0.010 1 68 9 8 A C2 C 72.4 0.010 1 69 9 8 A C2' C 72.4 0.010 1 70 9 8 A C8 C 139.7 0.010 1 71 10 9 C H1' H 5.509 0.010 1 72 10 9 C H2' H 4.215 0.010 1 73 10 9 C H3' H 4.624 0.010 1 74 10 9 C H5 H 5.069 0.010 1 75 10 9 C H6 H 8.063 0.010 1 76 10 9 C H41 H 6.883 0.010 1 77 10 9 C H42 H 5.069 0.010 1 78 10 9 C C5 C 97.76 0.010 1 79 10 9 C C6 C 139.5 0.010 1 80 11 10 C H1' H 5.524 0.010 1 81 11 10 C H2' H 4.65 0.010 1 82 11 10 C H3' H 4.708 0.010 1 83 11 10 C H4' H 4.495 0.010 1 84 11 10 C H5 H 5.406 0.010 1 85 11 10 C H6 H 7.974 0.010 1 86 11 10 C H41 H 6.806 0.010 1 87 11 10 C H42 H 5.409 0.010 1 88 11 10 C C5 C 97.75 0.010 1 89 11 10 C C6 C 138.9 0.010 1 90 12 11 A H1' H 5.893 0.010 1 91 12 11 A H2 H 6.646 0.010 1 92 12 11 A H2' H 4.532 0.010 1 93 12 11 A H3' H 4.848 0.010 1 94 12 11 A H4' H 4.634 0.010 1 95 12 11 A H8 H 8.075 0.010 1 96 12 11 A H61 H 7.71 0.010 1 97 12 11 A H62 H 6.475 0.010 1 98 12 11 A C1' C 92.84 0.010 1 99 12 11 A C2 C 149.5 0.010 1 100 12 11 A C2' C 76.32 0.010 1 101 12 11 A C8 C 137.6 0.010 1 102 13 12 A H1' H 6.166 0.010 1 103 13 12 A H2 H 8.299 0.010 1 104 13 12 A H2' H 4.714 0.010 1 105 13 12 A H8 H 8.379 0.010 1 106 13 12 A H61 H 10.85 0.010 1 107 13 12 A H62 H 9.53 0.010 1 108 13 12 A C8 C 138.7 0.010 1 109 14 13 U H1' H 5.555 0.010 1 110 14 13 U H2' H 4.54 0.010 1 111 14 13 U H3 H 14.39 0.010 1 112 14 13 U H3' H 4.498 0.010 1 113 14 13 U H5 H 5.355 0.010 1 114 14 13 U H6 H 7.628 0.010 1 115 14 13 U C1' C 93.54 0.010 1 116 14 13 U C2' C 75.62 0.010 1 117 14 13 U C5 C 104.2 0.010 1 118 14 13 U C6 C 138.2 0.010 1 119 15 14 U H1' H 5.368 0.010 1 120 15 14 U H2' H 4.715 0.010 1 121 15 14 U H3 H 12.95 0.010 1 122 15 14 U H3' H 4.383 0.010 1 123 15 14 U H5 H 5.499 0.010 1 124 15 14 U H6 H 7.656 0.010 1 125 15 14 U C1' C 94.74 0.010 1 126 15 14 U C2' C 75.79 0.010 1 127 15 14 U C5 C 104.7 0.010 1 128 15 14 U C6 C 138.8 0.010 1 129 16 15 A H1' H 5.682 0.010 1 130 16 15 A H2 H 6.247 0.010 1 131 16 15 A H2' H 4.609 0.010 1 132 16 15 A H3' H 4.68 0.010 1 133 16 15 A H8 H 8.012 0.010 1 134 16 15 A C1' C 93.01 0.010 1 135 16 15 A C2 C 149.3 0.010 1 136 16 15 A C2' C 75.11 0.010 1 137 16 15 A C8 C 136.6 0.010 1 138 17 16 G H1 H 12.71 0.010 1 139 17 16 G H1' H 5.545 0.010 1 140 17 16 G H2' H 4.716 0.010 1 141 17 16 G H3' H 4.558 0.010 1 142 17 16 G H4' H 4.495 0.010 1 143 17 16 G H8 H 7.173 0.010 1 144 17 16 G H21 H 8.3111 0.010 1 145 17 16 G H22 H 6.749 0.010 1 146 17 16 G C8 C 133.4 0.010 1 147 18 17 G H1 H 13.65 0.010 1 148 18 17 G H1' H 5.912 0.010 1 149 18 17 G H2' H 4.753 0.010 1 150 18 17 G H8 H 7.273 0.010 1 151 18 17 G H21 H 9.207 0.010 1 152 18 17 G H22 H 6.523 0.010 1 153 18 17 G C8 C 134.2 0.010 1 154 19 18 U H1' H 6.243 0.010 1 155 19 18 U H2' H 4.508 0.010 1 156 19 18 U H3 H 14.94 0.010 1 157 19 18 U H3' H 4.76 0.010 1 158 19 18 U H4' H 3.939 0.010 1 159 19 18 U H5 H 5.152 0.010 1 160 19 18 U H5' H 4.825 0.010 1 161 19 18 U H5'' H 4.035 0.010 1 162 19 18 U H6 H 8.21 0.010 1 163 19 18 U C1' C 89.43 0.010 1 164 19 18 U C2' C 76.13 0.010 1 165 19 18 U C3' C 80.48 0.010 1 166 19 18 U C4' C 86.19 0.010 1 167 19 18 U C5' C 67.37 0.010 1 168 19 18 U C6 C 140.7 0.010 1 169 20 19 U H1' H 6.589 0.010 1 170 20 19 U H2' H 4.807 0.010 1 171 20 19 U H3' H 4.72 0.010 1 172 20 19 U H4' H 4.648 0.010 1 173 20 19 U H5 H 5.896 0.010 1 174 20 19 U H6 H 8.264 0.010 1 175 20 19 U C1' C 94.89 0.010 1 176 20 19 U C2' C 74.47 0.010 1 177 20 19 U C3' C 72.42 0.010 1 178 20 19 U C4' C 82.73 0.010 1 179 20 19 U C5 C 104.8 0.010 1 180 20 19 U C6 C 142.4 0.010 1 181 21 20 C H1' H 5.929 0.010 1 182 21 20 C H5 H 6.415 0.010 1 183 21 20 C H6 H 7.671 0.010 1 184 21 20 C C5 C 100.5 0.010 1 185 21 20 C C6 C 141.3 0.010 1 186 22 21 A H1' H 5.939 0.010 1 187 22 21 A H2 H 8.01 0.010 1 188 22 21 A H5'' H 153.9 0.010 1 189 22 21 A H8 H 7.772 0.010 1 190 23 22 A H1' H 5.762 0.010 1 191 23 22 A H2 H 8.355 0.010 1 192 23 22 A H8 H 8.34 0.010 1 193 23 22 A C2 C 153 0.010 1 194 23 22 A C8 C 139 0.010 1 195 24 23 A H2 H 8.208 0.010 1 196 24 23 A H8 H 8.352 0.010 1 197 24 23 A C2 C 153 0.010 1 198 24 23 A C8 C 140 0.010 1 199 25 24 U H1' H 5.35 0.010 1 200 25 24 U H2' H 4.101 0.010 1 201 25 24 U H3 H 13.29 0.010 1 202 25 24 U H3' H 4.883 0.010 1 203 25 24 U H5 H 5.325 0.010 1 204 25 24 U H6 H 7.931 0.010 1 205 25 24 U C1' C 93.56 0.010 1 206 25 24 U C2' C 76.35 0.010 1 207 25 24 U C5 C 102.9 0.010 1 208 26 25 A H1' H 5.987 0.010 1 209 26 25 A H2 H 6.444 0.010 1 210 26 25 A H2' H 4.817 0.010 1 211 26 25 A H8 H 7.683 0.010 1 212 26 25 A H61 H 7.226 0.010 1 213 26 25 A H62 H 6.625 0.010 1 214 26 25 A C1' C 95.63 0.010 1 215 26 25 A C2 C 149.3 0.010 1 216 26 25 A C8 C 137.5 0.010 1 217 27 26 A H1' H 6.129 0.010 1 218 27 26 A H2 H 7.574 0.010 1 219 27 26 A H2' H 5.187 0.010 1 220 27 26 A H3' H 4.744 0.010 1 221 27 26 A H4' H 4.525 0.010 1 222 27 26 A H8 H 7.849 0.010 1 223 27 26 A H61 H 7.646 0.010 1 224 27 26 A H62 H 7.286 0.010 1 225 27 26 A C1' C 93.92 0.010 1 226 27 26 A C2 C 151.3 0.010 1 227 27 26 A C2' C 77.51 0.010 1 228 27 26 A C8 C 138.4 0.010 1 229 28 27 G H1 H 13.55 0.010 1 230 28 27 G H1' H 6.308 0.010 1 231 28 27 G H2' H 4.835 0.010 1 232 28 27 G H3' H 4.482 0.010 1 233 28 27 G H4' H 4.787 0.010 1 234 28 27 G H5' H 5.272 0.010 1 235 28 27 G H8 H 8.025 0.010 1 236 28 27 G C8 C 137.4 0.010 1 237 29 28 U H1' H 5.859 0.010 1 238 29 28 U H2' H 4.588 0.010 1 239 29 28 U H3 H 13.23 0.010 1 240 29 28 U H3' H 4.771 0.010 1 241 29 28 U H5 H 5.211 0.010 1 242 29 28 U H6 H 8.137 0.010 1 243 29 28 U C1' C 93.12 0.010 1 244 29 28 U C2' C 72.38 0.010 1 245 29 28 U C5 C 103.5 0.010 1 246 29 28 U C6 C 139.3 0.010 1 247 30 29 G H1 H 12.2 0.010 1 248 30 29 G H1' H 5.881 0.010 1 249 30 29 G H2' H 4.769 0.010 1 250 30 29 G H4' H 4.588 0.010 1 251 30 29 G H8 H 7.857 0.010 1 252 30 29 G C8 C 134.4 0.010 1 253 31 30 G H1 H 13.4 0.010 1 254 31 30 G H1' H 5.665 0.010 1 255 31 30 G H2' H 4.479 0.010 1 256 31 30 G H3' H 4.522 0.010 1 257 31 30 G H8 H 7.219 0.010 1 258 31 30 G C8 C 133.5 0.010 1 259 32 31 U H1' H 5.541 0.010 1 260 32 31 U H2' H 4.661 0.010 1 261 32 31 U H5 H 5.209 0.010 1 262 32 31 U H6 H 7.734 0.010 1 263 32 31 U C5 C 103.7 0.010 1 264 32 31 U C6 C 138.7 0.010 1 stop_ save_