data_15859 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR solution structure of the d3'-stem closed by a GAAA tetraloop of the group II intron Sc.ai5(gamma) ; _BMRB_accession_number 15859 _BMRB_flat_file_name bmr15859.str _Entry_type original _Submission_date 2008-07-04 _Accession_date 2008-07-04 _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 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" 183 "13C chemical shifts" 58 "15N chemical shifts" 11 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-10-13 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 15856 'NMR data related to NMR solution structure of the d3'-hairpin including EBS1 of the group II intron Sc.ai5(gamma)' 15857 'NMR data related to NMR solution structure of the d3'-hairpin including EBS1 and IBS1 of the group II intron Sc.ai5(gamma)' 15858 'NMR data related to NMR solution structure of the exon/intron binding site 1 (EBS1/IBS1) of the group II intron Sc.ai5(gamma)' 15859 'NMR data related to NMR solution structure of the d3'-stem closed by a GAAA tetraloop of the group II intron Sc.ai5(gamma)' 5962 'NMR data related to solution structure of domain 5 from the ai5(gamma) group II intron' 6756 'NMR data related to solution structure of domain 6 from the ai5(gamma)group II intron' stop_ _Original_release_date 2009-10-13 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the 5'-splice site of a group II intron ribozyme' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kruschel Daniela . . 2 Sigel Roland 'K. O.' . stop_ _Journal_abbreviation 'Not known' _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 . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 29-MER _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'RNA (22-MER)' $RNA_(22-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_(22-MER) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common RNA_(22-MER) _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 22 _Mol_residue_sequence ; GGAGUAUGUGAAAGCAUACU CC ; 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 G 11 A 12 A 13 A 14 G 15 C 16 A 17 U 18 A 19 C 20 U 21 C 22 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 $RNA_(22-MER) 'Baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae 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 _Details $RNA_(22-MER) 'in vitro transcription' . Saccharomyces cerevisiae . . 'The sequence was synthesized in vitro using T7 polymerase and synthetic DNA oligonucleotides.' 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $RNA_(22-MER) 0.9-1.3 mM 0.9 1.3 'natural abundance' 'potassium chloride' 10 mM . . 'natural abundance' EDTA 10 uM . . 'natural abundance' D2O 100 % . . '[U-100% 2H]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $RNA_(22-MER) 0.9-1.3 mM 0.9 1.3 'natural abundance' 'potassium chloride' 10 mM . . 'natural abundance' EDTA 10 uM . . 'natural abundance' H2O 90 % . . 'natural abundance' D2O 10 % . . '[U-100% 2H]' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNA_(22-MER) 1.0 mM '[U-100% 13C; U-100% 15N]' 'potassium chloride' 10 mM 'natural abundance' EDTA 10 uM 'natural abundance' D2O 100 % '[U-100% 2H]' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNA_(22-MER) 1.0 mM '[U-100% 13C; U-100% 15N]' 'potassium chloride' 10 mM 'natural abundance' EDTA 10 uM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % '[U-100% 2H]' 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 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 'structure solution' 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 'structure solution' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version 2.16 loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details 'equipped with a CRYO TXI (1H; 13C; 15N) with an actively shielded 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 $sample_1 save_ save_2D_1H-1H_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_3 save_ save_2D_1H-15N_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_4 save_ save_2D_JNN_HNN-COSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D JNN HNN-COSY' _Sample_label $sample_4 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' 10 . mM pD 6.45 0.05 pH pressure 1 . atm temperature 293 . K stop_ save_ save_sample_conditions_5 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 10 . mM pD 6.45 0.05 pH pressure 1 . atm temperature 303 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 10 . mM pH 6.2 . pH pressure 1 . atm temperature 278 . K stop_ save_ save_sample_conditions_6 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 10 . mM pH 6.2 . pH pressure 1 . atm temperature 293 . K stop_ save_ save_sample_conditions_3 _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 303 . K stop_ save_ save_sample_conditions_4 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 10 . mM pH 6.4 . pH pressure 1 . atm temperature 278 . 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 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . 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-1H NOESY' '2D 1H-13C HSQC' '2D 1H-15N HSQC' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 $sample_4 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'RNA (22-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 12.462 0.005 1 2 1 1 G H1' H 5.781 0.005 1 3 1 1 G H2' H 4.883 0.005 1 4 1 1 G H3' H 4.655 0.005 1 5 1 1 G H4' H 4.514 0.005 1 6 1 1 G H5' H 4.365 0.005 1 7 1 1 G H5'' H 4.229 0.005 1 8 1 1 G H8 H 8.074 0.005 1 9 1 1 G H21 H 7.891 0.005 1 10 1 1 G H22 H 5.604 0.005 1 11 1 1 G C1' C 88.78 0.05 1 12 1 1 G C8 C 136.31 0.05 1 13 1 1 G N1 N 146.59 0.05 1 14 2 2 G H1 H 12.085 0.005 1 15 2 2 G H1' H 5.854 0.005 1 16 2 2 G H2' H 4.652 0.005 1 17 2 2 G H3' H 4.528 0.005 1 18 2 2 G H4' H 4.547 0.005 1 19 2 2 G H5' H 4.437 0.005 1 20 2 2 G H5'' H 4.233 0.005 1 21 2 2 G H8 H 7.489 0.005 1 22 2 2 G H21 H 7.822 0.005 1 23 2 2 G H22 H 5.665 0.005 1 24 2 2 G C1' C 90.06 0.05 1 25 2 2 G C8 C 136.72 0.05 1 26 2 2 G N1 N 146.26 0.05 1 27 3 3 A H1' H 5.954 0.005 1 28 3 3 A H2 H 7.465 0.005 1 29 3 3 A H2' H 4.716 0.005 1 30 3 3 A H3' H 4.590 0.005 1 31 3 3 A H4' H 4.487 0.005 1 32 3 3 A H5'' H 4.127 0.005 1 33 3 3 A H8 H 7.710 0.005 1 34 3 3 A H61 H 8.049 0.005 1 35 3 3 A H62 H 6.710 0.005 1 36 3 3 A C1' C 90.2 0.05 1 37 3 3 A C2 C 150.65 0.05 1 38 3 3 A C8 C 137 0.05 1 39 4 4 G H1 H 13.040 0.005 1 40 4 4 G H1' H 5.511 0.005 1 41 4 4 G H2' H 4.390 0.005 1 42 4 4 G H3' H 4.289 0.005 1 43 4 4 G H4' H 4.434 0.005 1 44 4 4 G H5' H 4.370 0.005 1 45 4 4 G H5'' H 3.997 0.005 1 46 4 4 G H8 H 7.012 0.005 1 47 4 4 G H21 H 8.082 0.005 1 48 4 4 G H22 H 5.943 0.005 1 49 4 4 G C1' C 90.23 0.05 1 50 4 4 G C8 C 133.23 0.05 1 51 4 4 G N1 N 147.44 0.05 1 52 5 5 U H1' H 5.485 0.005 1 53 5 5 U H2' H 4.558 0.005 1 54 5 5 U H3 H 13.209 0.005 1 55 5 5 U H3' H 4.510 0.005 1 56 5 5 U H4' H 4.412 0.005 1 57 5 5 U H5 H 5.058 0.005 1 58 5 5 U H5'' H 4.053 0.005 1 59 5 5 U H6 H 7.629 0.005 1 60 5 5 U C1' C 90.81 0.05 1 61 5 5 U C5 C 100.44 0.05 1 62 5 5 U C6 C 138.42 0.05 1 63 5 5 U N3 N 161.24 0.05 1 64 6 6 A H1' H 5.959 0.005 1 65 6 6 A H2 H 7.007 0.005 1 66 6 6 A H2' H 4.443 0.005 1 67 6 6 A H3' H 4.619 0.005 1 68 6 6 A H4' H 4.525 0.005 1 69 6 6 A H5'' H 4.137 0.005 1 70 6 6 A H8 H 8.111 0.005 1 71 6 6 A H61 H 7.573 0.005 1 72 6 6 A H62 H 6.181 0.005 1 73 6 6 A C1' C 88.76 0.05 1 74 6 6 A C2 C 150.5 0.05 1 75 6 6 A C8 C 137.07 0.05 1 76 7 7 U H1' H 5.382 0.005 1 77 7 7 U H2' H 4.396 0.005 1 78 7 7 U H3 H 13.137 0.005 1 79 7 7 U H4' H 4.486 0.005 1 80 7 7 U H5 H 4.985 0.005 1 81 7 7 U H6 H 7.554 0.005 1 82 7 7 U C1' C 90.42 0.05 1 83 7 7 U C5 C 100.46 0.05 1 84 7 7 U C6 C 137.54 0.05 1 85 7 7 U N3 N 161.52 0.05 1 86 8 8 G H1 H 12.298 0.005 1 87 8 8 G H1' H 5.719 0.005 1 88 8 8 G H2' H 4.403 0.005 1 89 8 8 G H3' H 4.431 0.005 1 90 8 8 G H5'' H 4.058 0.005 1 91 8 8 G H8 H 7.507 0.005 1 92 8 8 G H21 H 7.628 0.005 1 93 8 8 G H22 H 5.726 0.005 1 94 8 8 G C1' C 90.05 0.05 1 95 8 8 G C8 C 133.19 0.05 1 96 8 8 G N1 N 146.55 0.05 1 97 9 9 U H1' H 5.351 0.005 1 98 9 9 U H2' H 4.184 0.005 1 99 9 9 U H3 H 11.203 0.005 1 100 9 9 U H3' H 4.418 0.005 1 101 9 9 U H4' H 4.299 0.005 1 102 9 9 U H5 H 5.312 0.005 1 103 9 9 U H5' H 4.050 0.005 1 104 9 9 U H5'' H 4.018 0.005 1 105 9 9 U H6 H 7.488 0.005 1 106 9 9 U C1' C 90.96 0.05 1 107 9 9 U C5 C 102.01 0.05 1 108 9 9 U C6 C 134.31 0.05 1 109 9 9 U N3 N 156.77 0.05 1 110 10 10 G H1 H 10.387 0.005 1 111 10 10 G H1' H 5.555 0.005 1 112 10 10 G H2' H 4.510 0.005 1 113 10 10 G H3' H 4.666 0.005 1 114 10 10 G H4' H 4.402 0.005 1 115 10 10 G H5' H 4.331 0.005 1 116 10 10 G H5'' H 4.053 0.005 1 117 10 10 G H8 H 7.656 0.005 1 118 10 10 G H22 H 5.931 0.005 1 119 10 10 G C1' C 88.87 0.05 1 120 10 10 G C8 C 134.2 0.05 1 121 10 10 G N1 N 145.59 0.05 1 122 11 11 A H1' H 5.628 0.005 1 123 11 11 A H2 H 7.764 0.005 1 124 11 11 A H2' H 4.617 0.005 1 125 11 11 A H3' H 4.428 0.005 1 126 11 11 A H4' H 4.089 0.005 1 127 11 11 A H5'' H 3.936 0.005 1 128 11 11 A H8 H 8.296 0.005 1 129 11 11 A C1' C 88.71 0.05 1 130 11 11 A C2 C 151.66 0.05 1 131 11 11 A C8 C 139.59 0.05 1 132 12 12 A H1' H 5.465 0.005 1 133 12 12 A H2 H 7.700 0.005 1 134 12 12 A H2' H 4.365 0.005 1 135 12 12 A H3' H 4.583 0.005 1 136 12 12 A H4' H 4.266 0.005 1 137 12 12 A H5' H 3.962 0.005 1 138 12 12 A H5'' H 3.855 0.005 1 139 12 12 A H8 H 7.914 0.005 1 140 12 12 A C1' C 89.44 0.05 1 141 12 12 A C2 C 151.75 0.05 1 142 13 13 A H1' H 5.984 0.005 1 143 13 13 A H2 H 8.087 0.005 1 144 13 13 A H2' H 4.586 0.005 1 145 13 13 A H3' H 5.005 0.005 1 146 13 13 A H4' H 4.454 0.005 1 147 13 13 A H5'' H 4.275 0.005 1 148 13 13 A H8 H 8.153 0.005 1 149 13 13 A C1' C 90.02 0.05 1 150 13 13 A C2 C 152.71 0.05 1 151 13 13 A C8 C 137.92 0.05 1 152 14 14 G H1 H 10.983 0.005 1 153 14 14 G H1' H 4.053 0.005 1 154 14 14 G H2' H 4.331 0.005 1 155 14 14 G H3' H 4.266 0.005 1 156 14 14 G H5'' H 3.914 0.005 1 157 14 14 G H8 H 7.701 0.005 1 158 14 14 G H21 H 8.070 0.005 1 159 14 14 G H22 H 5.937 0.005 1 160 14 14 G C8 C 134.68 0.05 1 161 14 14 G N1 N 144.07 0.05 1 162 15 15 C H1' H 5.360 0.005 1 163 15 15 C H2' H 4.371 0.005 1 164 15 15 C H3' H 4.482 0.005 1 165 15 15 C H5 H 5.288 0.005 1 166 15 15 C H6 H 7.569 0.005 1 167 15 15 C H41 H 8.072 0.005 1 168 15 15 C H42 H 6.702 0.005 1 169 15 15 C C1' C 90.59 0.05 1 170 15 15 C C5 C 94.75 0.05 1 171 15 15 C C6 C 138.53 0.05 1 172 16 16 A H1' H 5.880 0.005 1 173 16 16 A H2 H 7.208 0.005 1 174 16 16 A H2' H 4.412 0.005 1 175 16 16 A H3' H 4.643 0.005 1 176 16 16 A H4' H 4.443 0.005 1 177 16 16 A H5'' H 4.091 0.005 1 178 16 16 A H8 H 7.983 0.005 1 179 16 16 A H61 H 7.559 0.005 1 180 16 16 A H62 H 6.180 0.005 1 181 16 16 A C1' C 90.35 0.05 1 182 16 16 A C2 C 150.45 0.05 1 183 16 16 A C8 C 136.9 0.05 1 184 17 17 U H1' H 5.382 0.005 1 185 17 17 U H2' H 4.336 0.005 1 186 17 17 U H3 H 12.918 0.005 1 187 17 17 U H3' H 4.444 0.005 1 188 17 17 U H4' H 4.378 0.005 1 189 17 17 U H5 H 5.052 0.005 1 190 17 17 U H6 H 7.569 0.005 1 191 17 17 U C1' C 90.28 0.05 1 192 17 17 U C5 C 100.11 0.05 1 193 17 17 U C6 C 138.04 0.05 1 194 17 17 U N3 N 160.68 0.05 1 195 18 18 A H1' H 5.933 0.005 1 196 18 18 A H2 H 7.083 0.005 1 197 18 18 A H2' H 4.484 0.005 1 198 18 18 A H3' H 4.601 0.005 1 199 18 18 A H4' H 4.456 0.005 1 200 18 18 A H5'' H 4.116 0.005 1 201 18 18 A H8 H 8.067 0.005 1 202 18 18 A H61 H 7.658 0.005 1 203 18 18 A H62 H 6.165 0.005 1 204 18 18 A C1' C 90.04 0.05 1 205 18 18 A C2 C 150.68 0.05 1 206 18 18 A C8 C 136.92 0.05 1 207 19 19 C H1' H 5.298 0.005 1 208 19 19 C H2' H 4.142 0.005 1 209 19 19 C H3' H 4.283 0.005 1 210 19 19 C H4' H 4.349 0.005 1 211 19 19 C H5 H 5.158 0.005 1 212 19 19 C H5'' H 4.014 0.005 1 213 19 19 C H6 H 7.435 0.005 1 214 19 19 C H41 H 8.057 0.005 1 215 19 19 C H42 H 6.738 0.005 1 216 19 19 C C1' C 91.07 0.05 1 217 19 19 C C5 C 94.46 0.05 1 218 19 19 C C6 C 137.88 0.05 1 219 20 20 U H1' H 5.488 0.005 1 220 20 20 U H2' H 4.439 0.005 1 221 20 20 U H3 H 13.774 0.005 1 222 20 20 U H3' H 4.469 0.005 1 223 20 20 U H5 H 5.267 0.005 1 224 20 20 U H5'' H 4.019 0.005 1 225 20 20 U H6 H 7.837 0.005 1 226 20 20 U C1' C 91.07 0.05 1 227 20 20 U C5 C 100.5 0.05 1 228 20 20 U C6 C 139.81 0.05 1 229 20 20 U N1 N 162.1 0.05 1 230 21 21 C H1' H 5.544 0.005 1 231 21 21 C H2' H 4.160 0.005 1 232 21 21 C H3' H 4.367 0.005 1 233 21 21 C H5 H 5.589 0.005 1 234 21 21 C H5'' H 4.021 0.005 1 235 21 21 C H6 H 7.853 0.005 1 236 21 21 C H41 H 8.051 0.005 1 237 21 21 C H42 H 6.703 0.005 1 238 21 21 C C1' C 91.5 0.05 1 239 21 21 C C5 C 94.56 0.05 1 240 21 21 C C6 C 139.02 0.05 1 241 22 22 C H1' H 5.681 0.005 1 242 22 22 C H2' H 3.936 0.005 1 243 22 22 C H3' H 4.117 0.005 1 244 22 22 C H4' H 4.441 0.005 1 245 22 22 C H5 H 5.436 0.005 1 246 22 22 C H5'' H 3.974 0.005 1 247 22 22 C H6 H 7.608 0.005 1 248 22 22 C H41 H 7.950 0.005 1 249 22 22 C H42 H 6.710 0.005 1 250 22 22 C C1' C 90.04 0.05 1 251 22 22 C C5 C 95.33 0.05 1 252 22 22 C C6 C 139.45 0.05 1 stop_ save_