data_18894 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR solution structure of the d3'-hairpin including the exon binding site 1 (EBS1) of the group II intron Sc.ai5gamma ; _BMRB_accession_number 18894 _BMRB_flat_file_name bmr18894.str _Entry_type original _Submission_date 2012-12-12 _Accession_date 2012-12-12 _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 Kruschel Daniela . . 2 Skilandat Miriam . . 3 Sigel Roland 'K. O.' . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 223 "13C chemical shifts" 102 "15N chemical shifts" 18 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-02-17 update BMRB 'update entry citation' 2013-12-16 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 18893 'd3'-hairpin of the group II intron Sc.ai5gamma including EBS1 bound to IBS1' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR structure of the 5'-splice site in the group IIB intron Sc.ai5--conformational requirements for exon-intron recognition.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24448450 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kruschel Daniela . . 2 Skilandat Miriam . . 3 Sigel Roland K.O. . stop_ _Journal_abbreviation RNA _Journal_name_full 'RNA (New York, N.Y.)' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'd3'-hairpin including the exon binding site 1 (EBS1) of the group II intron Sc.ai5gamma' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'RNA (29-MER)' $RNA_(29-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_(29-MER) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common RNA_(29-MER) _Molecular_mass 9301.611 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 29 _Mol_residue_sequence ; GGAGUAUGUAUUGGCACUGA GCAUACUCC ; loop_ _Residue_seq_code _Residue_label 1 G 2 G 3 A 4 G 5 U 6 A 7 U 8 G 9 U 10 A 11 U 12 U 13 G 14 G 15 C 16 A 17 C 18 U 19 G 20 A 21 G 22 C 23 A 24 U 25 A 26 C 27 U 28 C 29 C 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 _Gene_mnemonic _Details $RNA_(29-MER) 'baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae cox1 'mitochondrial genome' 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 _Details $RNA_(29-MER) 'cell free synthesis' . not applicable . 'not applicable' 'not applicable' 'the sequence was produced by in-vitro transcription from a synthetic dsDNA template using T7 RNA-polymerase' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_unlabelled_d2o _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $RNA_(29-MER) . mM 0.4 1.2 'natural abundance' 'potassium chloride' 10 mM . . 'natural abundance' EDTA 10 uM . . 'natural abundance' D2O 100 % . . 'natural abundance' stop_ save_ save_unlabelled_h2o _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $RNA_(29-MER) . mM 0.4 1.2 'natural abundance' 'potassium chloride' 10 mM . . 'natural abundance' EDTA 10 uM . . 'natural abundance' D2O 10 % . . 'natural abundance' H2O 90 % . . 'natural abundance' stop_ save_ save_labelled_h2o _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNA_(29-MER) 0.7 mM '[U-100% 13C; U-100% 15N]' 'potassium chloride' 10 mM 'natural abundance' EDTA 10 uM 'natural abundance' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ save_labelled_h2o_phage _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNA_(29-MER) 0.7 mM '[U-100% 13C; U-100% 15N]' 'potassium chloride' 10 mM 'natural abundance' EDTA 10 uM 'natural abundance' 'Pf1 phage' 25.6 mg/mL 'natural abundance' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ save_labelled_d2o _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNA_(29-MER) 0.7 mM '[U-100% 13C; U-100% 15N]' 'potassium chloride' 10 mM 'natural abundance' EDTA 10 uM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_deuterated_d2o _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNA_(29-MER) 0.6 mM '[3',4',5',5'',5, 100% 2H]' 'potassium chloride' 10 mM 'natural abundance' EDTA 10 uM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version '1.3, 2.0, 2.1' loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.1 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_DYANA _Saveframe_category software _Name DYANA _Version 1.5 loop_ _Vendor _Address _Electronic_address 'Guntert, Braun and Wuthrich' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CNSSOLVE _Saveframe_category software _Name CNSSOLVE _Version 1.2 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version 2.24 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 Bruker _Model Avance _Field_strength 700 _Details 'CRYO TXI z-axis pulsed field gradient, inverse triple-resonance probehead' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details 'CRYO TCI inverse triple-resonance probehead with z-axis gradient' save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details 'CRYO QNP probehead, z-gradient coil' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $unlabelled_d2o save_ save_2D_1H-1H_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $unlabelled_d2o save_ save_2D_1H-1H_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $unlabelled_d2o save_ save_2D_1H-1H_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $unlabelled_h2o save_ save_2D_1H-1H_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $unlabelled_h2o save_ save_2D_1H-13C_HSQC_aliphatic_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $labelled_h2o save_ save_2D_1H-13C_HSQC_aromatic_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $labelled_h2o save_ save_2D_1H-15N_HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $labelled_h2o save_ save_2D_1H-13C_HSQC_aliphatic_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $labelled_h2o_phage save_ save_2D_1H-13C_HSQC_aromatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $labelled_h2o_phage save_ save_2D_JNN_HNN_COSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D JNN HNN COSY' _Sample_label $labelled_h2o save_ save_2D_1H-1H_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $unlabelled_d2o save_ save_2D_1H-1H_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $unlabelled_d2o save_ save_1D_31P_14 _Saveframe_category NMR_applied_experiment _Experiment_name '1D 31P' _Sample_label $unlabelled_d2o save_ save_2D_1H-1H_NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $deuterated_d2o save_ ####################### # Sample conditions # ####################### save_h2o_293K _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 10 . mM pH 6.8 . pH pressure 1 . atm temperature 293 . K stop_ save_ save_d2o_293K _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 10 . mM pD 6.8 . pH pressure 1 . atm temperature 293 . K stop_ save_ save_h2o_278K _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 10 . mM pH 6.8 . pH pressure 1 . atm temperature 278 . K stop_ save_ save_h2o_298K _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 10 . mM pH 6.8 . pH pressure 1 . atm temperature 298 . K stop_ save_ save_d2o_298K _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 10 . mM pD 6.8 . pH pressure 1 . atm temperature 298 . K stop_ save_ save_d2o_283K _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 10 . mM pD 6.8 . pH pressure 1 . atm temperature 283 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_DSS _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 external indirect . 'separate tube (no insert) similar to the experimental sample tube' . 0.251449530 DSS H 1 'methyl protons' ppm 0 external direct . 'separate tube (no insert) similar to the experimental sample tube' . 1.0 DSS N 15 'methyl protons' ppm 0 external 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-1H NOESY' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '2D 1H-15N HSQC' '2D JNN HNN COSY' stop_ loop_ _Sample_label $unlabelled_d2o $unlabelled_h2o $labelled_h2o stop_ _Sample_conditions_label $d2o_293K _Chem_shift_reference_set_label $DSS _Mol_system_component_name 'RNA (29-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 12.114 . 1 2 1 1 G H1' H 5.523 . 1 3 1 1 G H2' H 4.633 . 1 4 1 1 G H3' H 4.393 . 1 5 1 1 G H4' H 4.265 . 1 6 1 1 G H5'' H 3.963 . 1 7 1 1 G H8 H 7.828 . 1 8 1 1 G H21 H 7.326 . 1 9 1 1 G H22 H 5.318 . 1 10 1 1 G C1' C 85.848 . 1 11 1 1 G C2' C 69.786 . 1 12 1 1 G C8 C 133.457 . 1 13 1 1 G N1 N 146.533 . 1 14 2 2 G H1 H 11.766 . 1 15 2 2 G H1' H 5.609 . 1 16 2 2 G H2' H 4.394 . 1 17 2 2 G H3' H 4.267 . 1 18 2 2 G H4' H 4.299 . 1 19 2 2 G H5'' H 3.963 . 1 20 2 2 G H8 H 7.228 . 1 21 2 2 G H21 H 7.520 . 1 22 2 2 G H22 H 5.343 . 1 23 2 2 G C1' C 87.337 . 1 24 2 2 G C2' C 70.683 . 1 25 2 2 G N1 N 146.215 . 1 26 3 3 A H1' H 5.696 . 1 27 3 3 A H2 H 7.200 . 1 28 3 3 A H2' H 4.458 . 1 29 3 3 A H3' H 4.334 . 1 30 3 3 A H4' H 4.246 . 1 31 3 3 A H5' H 3.855 . 1 32 3 3 A H5'' H 3.785 . 1 33 3 3 A H8 H 7.453 . 1 34 3 3 A H61 H 7.704 . 1 35 3 3 A H62 H 6.383 . 1 36 3 3 A C1' C 85.657 . 1 37 3 3 A C2 C 147.753 . 1 38 3 3 A C2' C 69.606 . 1 39 3 3 A N1 N 219.963 . 1 40 4 4 G H1 H 12.722 . 1 41 4 4 G H1' H 5.255 . 1 42 4 4 G H2' H 4.128 . 1 43 4 4 G H3' H 4.031 . 1 44 4 4 G H4' H 4.173 . 1 45 4 4 G H5'' H 3.735 . 1 46 4 4 G H8 H 6.770 . 1 47 4 4 G H21 H 7.744 . 1 48 4 4 G H22 H 5.617 . 1 49 4 4 G C1' C 87.162 . 1 50 4 4 G C2' C 66.857 . 1 51 4 4 G C8 C 130.382 . 1 52 4 4 G N1 N 147.411 . 1 53 5 5 U H1' H 5.224 . 1 54 5 5 U H2' H 4.318 . 1 55 5 5 U H3 H 12.894 . 1 56 5 5 U H3' H 4.247 . 1 57 5 5 U H4' H 4.236 . 1 58 5 5 U H5 H 4.799 . 1 59 5 5 U H5'' H 3.786 . 1 60 5 5 U H6 H 7.383 . 1 61 5 5 U C1' C 88.172 . 1 62 5 5 U C2' C 70.033 . 1 63 5 5 U C5 C 97.561 . 1 64 5 5 U C6 C 136.794 . 1 65 5 5 U N3 N 161.157 . 1 66 6 6 A H1' H 5.696 . 1 67 6 6 A H2 H 6.737 . 1 68 6 6 A H2' H 4.206 . 1 69 6 6 A H3' H 4.349 . 1 70 6 6 A H4' H 4.270 . 1 71 6 6 A H5'' H 3.865 . 1 72 6 6 A H8 H 7.848 . 1 73 6 6 A H61 H 7.249 . 1 74 6 6 A H62 H 5.852 . 1 75 6 6 A C2 C 147.558 . 1 76 6 6 A C8 C 133.232 . 1 77 6 6 A N1 N 222.050 . 1 78 7 7 U H1' H 5.114 . 1 79 7 7 U H2' H 4.211 . 1 80 7 7 U H3 H 12.779 . 1 81 7 7 U H3' H 4.144 . 1 82 7 7 U H4' H 4.122 . 1 83 7 7 U H5 H 4.742 . 1 84 7 7 U H5'' H 3.791 . 1 85 7 7 U H6 H 7.287 . 1 86 7 7 U C1' C 87.512 . 1 87 7 7 U C2' C 69.963 . 1 88 7 7 U C5 C 97.482 . 1 89 7 7 U C6 C 135.704 . 1 90 7 7 U N3 N 161.254 . 1 91 8 8 G H1 H 12.099 . 1 92 8 8 G H1' H 5.445 . 1 93 8 8 G H2' H 4.236 . 1 94 8 8 G H3' H 4.142 . 1 95 8 8 G H8 H 7.282 . 1 96 8 8 G H21 H 7.244 . 1 97 8 8 G H22 H 5.347 . 1 98 8 8 G C1' C 85.613 . 1 99 8 8 G C2' C 66.699 . 1 100 8 8 G C8 C 135.222 . 1 101 8 8 G N1 N 146.971 . 1 102 9 9 U H1' H 5.293 . 1 103 9 9 U H2' H 3.913 . 1 104 9 9 U H3 H 11.374 . 1 105 9 9 U H3' H 4.257 . 1 106 9 9 U H5 H 5.110 . 1 107 9 9 U H6 H 7.330 . 1 108 9 9 U C1' C 88.530 . 1 109 9 9 U C2' C 70.735 . 1 110 9 9 U C5 C 98.786 . 1 111 9 9 U C6 C 131.806 . 1 112 9 9 U N3 N 157.396 . 1 113 10 10 A H1' H 5.707 . 1 114 10 10 A H2 H 7.540 . 1 115 10 10 A H2' H 4.379 . 1 116 10 10 A H3' H 4.320 . 1 117 10 10 A H4' H 4.220 . 1 118 10 10 A H5' H 4.024 . 1 119 10 10 A H5'' H 3.851 . 1 120 10 10 A H8 H 7.957 . 1 121 10 10 A C1' C 87.349 . 1 122 10 10 A C2 C 149.369 . 1 123 10 10 A C2' C 67.389 . 1 124 10 10 A C8 C 135.877 . 1 125 11 11 U H1' H 5.213 . 1 126 11 11 U H2' H 4.131 . 1 127 11 11 U H5 H 5.136 . 1 128 11 11 U H5'' H 3.817 . 1 129 11 11 U H6 H 7.396 . 1 130 11 11 U C1' C 87.301 . 1 131 11 11 U C2' C 69.875 . 1 132 11 11 U C5 C 98.692 . 1 133 11 11 U C6 C 137.396 . 1 134 12 12 U H1' H 5.328 . 1 135 12 12 U H2' H 3.971 . 1 136 12 12 U H3 H 9.870 . 1 137 12 12 U H3' H 4.216 . 1 138 12 12 U H4' H 4.029 . 1 139 12 12 U H5 H 5.362 . 1 140 12 12 U H5'' H 3.739 . 1 141 12 12 U H6 H 7.448 . 1 142 12 12 U C1' C 86.566 . 1 143 12 12 U C2' C 70.244 . 1 144 12 12 U C5 C 99.393 . 1 145 12 12 U C6 C 137.520 . 1 146 13 13 G H1' H 5.357 . 1 147 13 13 G H2' H 4.281 . 1 148 13 13 G H3' H 4.327 . 1 149 13 13 G H4' H 4.085 . 1 150 13 13 G H8 H 7.456 . 1 151 13 13 G C1' C 85.685 . 1 152 13 13 G C2' C 67.471 . 1 153 13 13 G C8 C 133.622 . 1 154 14 14 G H1' H 5.372 . 1 155 14 14 G H2' H 4.446 . 1 156 14 14 G H3' H 4.373 . 1 157 14 14 G H4' H 4.161 . 1 158 14 14 G H5'' H 3.821 . 1 159 14 14 G H8 H 7.517 . 1 160 14 14 G C1' C 84.642 . 1 161 14 14 G C2' C 70.322 . 1 162 14 14 G C8 C 133.937 . 1 163 15 15 C H1' H 5.472 . 1 164 15 15 C H2' H 3.957 . 1 165 15 15 C H3' H 4.228 . 1 166 15 15 C H4' H 3.925 . 1 167 15 15 C H5 H 5.444 . 1 168 15 15 C H5' H 3.761 . 1 169 15 15 C H5'' H 3.732 . 1 170 15 15 C H6 H 7.354 . 1 171 15 15 C C1' C 85.631 . 1 172 15 15 C C2' C 70.367 . 1 173 15 15 C C5 C 93.458 . 1 174 15 15 C C6 C 137.447 . 1 175 16 16 A H1' H 5.635 . 1 176 16 16 A H2 H 7.667 . 1 177 16 16 A H2' H 4.405 . 1 178 16 16 A H3' H 4.214 . 1 179 16 16 A H4' H 4.235 . 1 180 16 16 A H5' H 3.930 . 1 181 16 16 A H5'' H 3.796 . 1 182 16 16 A H8 H 7.919 . 1 183 16 16 A C1' C 85.225 . 1 184 16 16 A C2 C 149.537 . 1 185 16 16 A C2' C 70.068 . 1 186 16 16 A C8 C 135.842 . 1 187 17 17 C H1' H 5.451 . 1 188 17 17 C H2' H 4.109 . 1 189 17 17 C H3' H 4.052 . 1 190 17 17 C H5 H 5.495 . 1 191 17 17 C H5'' H 3.806 . 1 192 17 17 C H6 H 7.334 . 1 193 17 17 C C1' C 87.223 . 1 194 17 17 C C2' C 66.787 . 1 195 17 17 C C5 C 93.305 . 1 196 17 17 C C6 C 137.951 . 1 197 18 18 U H1' H 5.519 . 1 198 18 18 U H2' H 4.037 . 1 199 18 18 U H3' H 4.295 . 1 200 18 18 U H4' H 4.087 . 1 201 18 18 U H5 H 5.466 . 1 202 18 18 U H5'' H 3.829 . 1 203 18 18 U H6 H 7.439 . 1 204 18 18 U C1' C 85.683 . 1 205 18 18 U C2' C 70.126 . 1 206 18 18 U C5 C 99.705 . 1 207 18 18 U C6 C 138.183 . 1 208 19 19 G H1 H 11.255 . 1 209 19 19 G H1' H 5.314 . 1 210 19 19 G H2' H 4.383 . 1 211 19 19 G H3' H 4.131 . 1 212 19 19 G H4' H 3.806 . 1 213 19 19 G H5'' H 3.587 . 1 214 19 19 G H8 H 7.473 . 1 215 19 19 G C1' C 86.137 . 1 216 19 19 G C2' C 70.139 . 1 217 19 19 G C8 C 133.443 . 1 218 20 20 A H1' H 5.691 . 1 219 20 20 A H2 H 7.634 . 1 220 20 20 A H2' H 4.444 . 1 221 20 20 A H3' H 4.263 . 1 222 20 20 A H4' H 4.190 . 1 223 20 20 A H5'' H 3.821 . 1 224 20 20 A H8 H 7.716 . 1 225 20 20 A C1' C 87.276 . 1 226 20 20 A C2 C 149.031 . 1 227 20 20 A C8 C 135.205 . 1 228 21 21 G H1 H 10.361 . 1 229 21 21 G H1' H 5.240 . 1 230 21 21 G H2' H 4.300 . 1 231 21 21 G H3' H 4.093 . 1 232 21 21 G H8 H 7.244 . 1 233 21 21 G H21 H 7.255 . 1 234 21 21 G H22 H 5.704 . 1 235 21 21 G C1' C 87.433 . 1 236 21 21 G C2' C 69.963 . 1 237 21 21 G C8 C 130.536 . 1 238 21 21 G N1 N 143.872 . 1 239 22 22 C H1' H 5.056 . 1 240 22 22 C H2' H 4.102 . 1 241 22 22 C H3' H 4.249 . 1 242 22 22 C H4' H 4.194 . 1 243 22 22 C H5 H 5.104 . 1 244 22 22 C H6 H 7.358 . 1 245 22 22 C H41 H 7.666 . 1 246 22 22 C H42 H 6.298 . 1 247 22 22 C C1' C 88.144 . 1 248 22 22 C C5 C 92.217 . 1 249 22 22 C C6 C 136.025 . 1 250 22 22 C N3 N 195.590 . 1 251 23 23 A H1' H 5.628 . 1 252 23 23 A H2 H 6.989 . 1 253 23 23 A H2' H 4.175 . 1 254 23 23 A H3' H 4.404 . 1 255 23 23 A H4' H 4.190 . 1 256 23 23 A H5'' H 3.823 . 1 257 23 23 A H8 H 7.720 . 1 258 23 23 A H61 H 7.236 . 1 259 23 23 A H62 H 5.827 . 1 260 23 23 A C1' C 87.481 . 1 261 23 23 A C2 C 147.566 . 1 262 23 23 A C2' C 69.998 . 1 263 23 23 A C8 C 134.056 . 1 264 23 23 A N1 N 219.752 . 1 265 24 24 U H1' H 5.151 . 1 266 24 24 U H2' H 4.088 . 1 267 24 24 U H3 H 12.597 . 1 268 24 24 U H3' H 4.191 . 1 269 24 24 U H4' H 4.248 . 1 270 24 24 U H5 H 4.799 . 1 271 24 24 U H6 H 7.361 . 1 272 24 24 U C1' C 87.554 . 1 273 24 24 U C2' C 69.918 . 1 274 24 24 U C5 C 97.252 . 1 275 24 24 U C6 C 137.518 . 1 276 24 24 U N3 N 160.731 . 1 277 25 25 A H1' H 5.691 . 1 278 25 25 A H2 H 6.833 . 1 279 25 25 A H2' H 4.227 . 1 280 25 25 A H3' H 4.375 . 1 281 25 25 A H5'' H 3.877 . 1 282 25 25 A H8 H 7.844 . 1 283 25 25 A H61 H 7.277 . 1 284 25 25 A H62 H 5.823 . 1 285 25 25 A C1' C 85.500 . 1 286 25 25 A C2 C 147.842 . 1 287 25 25 A C2' C 69.963 . 1 288 25 25 A C8 C 134.214 . 1 289 25 25 A N1 N 221.457 . 1 290 26 26 C H1' H 5.059 . 1 291 26 26 C H2' H 3.881 . 1 292 26 26 C H3' H 4.051 . 1 293 26 26 C H4' H 3.865 . 1 294 26 26 C H5 H 4.900 . 1 295 26 26 C H5'' H 3.759 . 1 296 26 26 C H6 H 7.234 . 1 297 26 26 C H41 H 7.721 . 1 298 26 26 C H42 H 6.390 . 1 299 26 26 C C1' C 88.276 . 1 300 26 26 C C2' C 70.121 . 1 301 26 26 C C5 C 91.656 . 1 302 26 26 C C6 C 135.129 . 1 303 26 26 C N3 N 196.118 . 1 304 27 27 U H1' H 5.229 . 1 305 27 27 U H2' H 4.190 . 1 306 27 27 U H3 H 13.457 . 1 307 27 27 U H3' H 4.217 . 1 308 27 27 U H4' H 4.110 . 1 309 27 27 U H5 H 5.014 . 1 310 27 27 U H5'' H 3.760 . 1 311 27 27 U H6 H 7.600 . 1 312 27 27 U C1' C 87.079 . 1 313 27 27 U C2' C 66.717 . 1 314 27 27 U C5 C 97.615 . 1 315 27 27 U C6 C 136.985 . 1 316 27 27 U N3 N 162.060 . 1 317 28 28 C H1' H 5.288 . 1 318 28 28 C H2' H 3.909 . 1 319 28 28 C H3' H 4.158 . 1 320 28 28 C H4' H 4.098 . 1 321 28 28 C H5 H 5.327 . 1 322 28 28 C H5'' H 3.764 . 1 323 28 28 C H6 H 7.611 . 1 324 28 28 C H41 H 7.700 . 1 325 28 28 C H42 H 6.377 . 1 326 28 28 C C1' C 87.276 . 1 327 28 28 C C2' C 70.367 . 1 328 28 28 C C5 C 91.866 . 1 329 28 28 C C6 C 136.148 . 1 330 28 28 C N3 N 197.061 . 1 331 29 29 C H1' H 5.415 . 1 332 29 29 C H2' H 3.677 . 1 333 29 29 C H3' H 3.705 . 1 334 29 29 C H4' H 3.860 . 1 335 29 29 C H5 H 5.168 . 1 336 29 29 C H6 H 7.352 . 1 337 29 29 C H41 H 7.697 . 1 338 29 29 C H42 H 6.327 . 1 339 29 29 C C1' C 87.233 . 1 340 29 29 C C2' C 72.074 . 1 341 29 29 C C5 C 92.484 . 1 342 29 29 C C6 C 135.411 . 1 343 29 29 C N3 N 196.583 . 1 stop_ save_