data_25781 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR Assignment and NMR Structure of CssA3 (top stem) of CssA thermometer ; _BMRB_accession_number 25781 _BMRB_flat_file_name bmr25781.str _Entry_type original _Submission_date 2015-08-28 _Accession_date 2015-08-28 _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 Barnwal Ravi P. . 2 Godin Kate S. . 3 Varani Gabriele . . 4 Loh Edmund . . 5 Yip Jordan . . 6 Tang Christoph M. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 231 "13C chemical shifts" 67 "15N chemical shifts" 14 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-03-21 update BMRB 'update entry citation' 2016-07-26 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 25780 'CssA4 (bottom stem) of CssA thermometer' 25784 'CssA Thermometer from Neisseria meningitidis' 25785 'CssA5 (middle region) of CssA thermometer' stop_ _Original_release_date 2016-07-26 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structure and mechanism of a molecular rheostat, an RNA thermometer that modulates immune evasion by Neisseria meningitidis ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27369378 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Barnwal Ravi P. . 2 Loh Edmund . . 3 Godin Kate S. . 4 Yip Jordan . . 5 Lavender Hayley . . 6 Tang Christoph M. . 7 Varani Gabriele . . stop_ _Journal_abbreviation 'Nucleic Acids Res.' _Journal_volume 44 _Journal_issue 19 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 9426 _Page_last 9437 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'CssA3 (top stem) of CssA thermometer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'RNA (42-MER)' $RNA_(42-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_(42-MER) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common CssA3_RNA_(42-MER) _Molecular_mass 13348.949 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 42 _Mol_residue_sequence ; GGGUAGAGUAUAAUUAGUCU UCGGACUUCCUUAUACUUAU CC ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 G 2 2 G 3 3 G 4 4 U 5 5 A 6 6 G 7 7 A 8 8 G 9 9 U 10 10 A 11 11 U 12 12 A 13 13 A 14 14 U 15 15 U 16 16 A 17 17 G 18 18 U 19 19 C 20 20 U 21 21 U 22 22 C 23 23 G 24 24 G 25 25 A 26 26 C 27 27 U 28 28 U 29 29 C 30 30 C 31 31 U 32 32 U 33 33 A 34 34 U 35 35 A 36 36 C 37 37 U 38 38 U 39 39 A 40 40 U 41 41 C 42 42 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_(42-MER) b-proteobacteria 487 Bacteria . Neisseria meningitidis 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_(42-MER) 'in vitro transcription' . . . . . 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_(42-MER) . mM 0.4 1.1 'natural abundance' $RNA_(42-MER) . mM 0.4 1.1 '13C/15N-uniformly labeled' $RNA_(42-MER) . mM 0.4 1.1 '13C/15N-AU labeled' $RNA_(42-MER) . mM 0.4 1.1 'partially deuterated' H2O 95 % . . 'natural abundance' D2O 5 % . . '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 refinement 'structure solution' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Agilent _Model INOVA _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_2D_DQF-COSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _Sample_label $sample_1 save_ save_ARTSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name ARTSY _Sample_label $sample_1 save_ save_ARTSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name ARTSY _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 . pH pressure 1 . atm temperature 280 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 . pH pressure 1 . atm temperature 298 . 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 DSS P 31 'methyl protons' ppm 0.00 na indirect . . . 0.404808636 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '2D 1H-1H NOESY' '3D HCCH-TOCSY' '3D 1H-13C NOESY' '2D DQF-COSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'RNA (42-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 11.559 0.05 . 2 1 1 G H1' H 5.797 0.05 . 3 1 1 G H2' H 4.893 0.05 . 4 1 1 G H8 H 8.124 0.05 . 5 1 1 G N1 N 144.938 0.12 . 6 2 2 G H1 H 12.663 0.05 . 7 2 2 G H1' H 5.936 0.05 . 8 2 2 G H2' H 4.636 0.05 . 9 2 2 G H3' H 4.508 0.05 . 10 2 2 G H8 H 7.630 0.05 . 11 2 2 G C8 C 135.989 0.12 . 12 2 2 G N1 N 147.617 0.12 . 13 3 3 G H1 H 10.207 0.05 . 14 3 3 G H1' H 5.754 0.05 . 15 3 3 G H2' H 4.635 0.05 . 16 3 3 G H3' H 4.148 0.05 . 17 3 3 G H4' H 4.444 0.05 . 18 3 3 G H8 H 7.186 0.05 . 19 3 3 G C1' C 90.850 0.12 . 20 3 3 G C8 C 134.411 0.12 . 21 4 4 U H1' H 5.494 0.05 . 22 4 4 U H2' H 4.266 0.05 . 23 4 4 U H3 H 13.421 0.05 . 24 4 4 U H3' H 4.333 0.05 . 25 4 4 U H5 H 5.258 0.05 . 26 4 4 U H6 H 7.576 0.05 . 27 4 4 U C5 C 100.924 0.12 . 28 5 5 A H1' H 5.944 0.05 . 29 5 5 A H2 H 6.789 0.05 . 30 5 5 A H2' H 4.459 0.05 . 31 5 5 A H8 H 8.066 0.05 . 32 5 5 A C2 C 150.494 0.12 . 33 6 6 G H1' H 5.650 0.05 . 34 6 6 G H2' H 4.474 0.05 . 35 6 6 G H8 H 7.647 0.05 . 36 6 6 G C1' C 90.097 0.12 . 37 6 6 G C8 C 134.637 0.12 . 38 7 7 A H1' H 5.888 0.05 . 39 7 7 A H2 H 7.472 0.05 . 40 7 7 A H2' H 4.726 0.05 . 41 7 7 A H8 H 7.921 0.05 . 42 7 7 A C2 C 150.550 0.12 . 43 8 8 G H1 H 13.158 0.05 . 44 8 8 G H1' H 5.661 0.05 . 45 8 8 G H2' H 4.424 0.05 . 46 8 8 G H8 H 7.280 0.05 . 47 8 8 G C8 C 133.995 0.12 . 48 8 8 G N1 N 147.890 0.12 . 49 9 9 U H1' H 5.510 0.05 . 50 9 9 U H2' H 4.552 0.05 . 51 9 9 U H3 H 13.383 0.05 . 52 9 9 U H5 H 5.043 0.05 . 53 9 9 U H6 H 7.691 0.05 . 54 9 9 U N3 N 161.697 0.12 . 55 10 10 A H1' H 5.960 0.05 . 56 10 10 A H2 H 6.929 0.05 . 57 10 10 A H2' H 4.377 0.05 . 58 10 10 A H8 H 8.106 0.05 . 59 10 10 A H61 H 6.317 0.05 . 60 10 10 A H62 H 7.640 0.05 . 61 10 10 A C2 C 150.354 0.12 . 62 11 11 U H1' H 5.352 0.05 . 63 11 11 U H2' H 4.283 0.05 . 64 11 11 U H3 H 13.085 0.05 . 65 11 11 U H5 H 5.011 0.05 . 66 11 11 U H6 H 7.584 0.05 . 67 11 11 U C1' C 90.525 0.12 . 68 11 11 U N3 N 161.396 0.12 . 69 12 12 A H1' H 5.874 0.05 . 70 12 12 A H2 H 6.545 0.05 . 71 12 12 A H2' H 4.488 0.05 . 72 12 12 A H8 H 7.979 0.05 . 73 12 12 A H61 H 6.228 0.05 . 74 12 12 A H62 H 7.635 0.05 . 75 12 12 A C2 C 149.740 0.12 . 76 12 12 A C8 C 137.038 0.12 . 77 13 13 A H1' H 5.718 0.05 . 78 13 13 A H2 H 7.753 0.05 . 79 13 13 A H2' H 4.268 0.05 . 80 13 13 A H3' H 4.368 0.05 . 81 13 13 A H8 H 7.533 0.05 . 82 13 13 A C1' C 89.923 0.12 . 83 13 13 A C2 C 151.301 0.12 . 84 13 13 A C8 C 136.503 0.12 . 85 14 14 U H1' H 5.312 0.05 . 86 14 14 U H2' H 3.917 0.05 . 87 14 14 U H3' H 4.204 0.05 . 88 14 14 U H5 H 5.123 0.05 . 89 14 14 U H6 H 7.292 0.05 . 90 14 14 U C1' C 89.869 0.12 . 91 14 14 U C5 C 100.936 0.12 . 92 14 14 U C6 C 138.517 0.12 . 93 15 15 U H1' H 5.374 0.05 . 94 15 15 U H2' H 4.521 0.05 . 95 15 15 U H3 H 9.995 0.05 . 96 15 15 U H3' H 4.439 0.05 . 97 15 15 U H5 H 5.630 0.05 . 98 15 15 U H6 H 7.841 0.05 . 99 15 15 U C1' C 90.532 0.12 . 100 15 15 U C5 C 101.061 0.12 . 101 16 16 A H1' H 5.989 0.05 . 102 16 16 A H2 H 7.599 0.05 . 103 16 16 A H2' H 4.690 0.05 . 104 16 16 A H8 H 8.093 0.05 . 105 16 16 A C1' C 89.556 0.12 . 106 16 16 A C2 C 150.279 0.12 . 107 17 17 G H1 H 13.227 0.05 . 108 17 17 G H1' H 5.647 0.05 . 109 17 17 G H2' H 4.386 0.05 . 110 17 17 G H8 H 7.158 0.05 . 111 17 17 G H21 H 8.574 0.05 . 112 17 17 G H22 H 6.272 0.05 . 113 17 17 G C1' C 89.617 0.12 . 114 17 17 G C8 C 133.781 0.12 . 115 17 17 G N1 N 148.216 0.12 . 116 18 18 U H1' H 5.605 0.05 . 117 18 18 U H2' H 4.555 0.05 . 118 18 18 U H3 H 14.330 0.05 . 119 18 18 U H5 H 5.000 0.05 . 120 18 18 U H6 H 7.814 0.05 . 121 18 18 U C1' C 90.981 0.12 . 122 18 18 U N3 N 162.753 0.12 . 123 19 19 C H1' H 5.520 0.05 . 124 19 19 C H2' H 4.413 0.05 . 125 19 19 C H5 H 5.585 0.05 . 126 19 19 C H6 H 7.689 0.05 . 127 19 19 C H41 H 8.464 0.05 . 128 19 19 C H42 H 6.879 0.05 . 129 19 19 C C5 C 94.829 0.12 . 130 19 19 C C6 C 138.476 0.12 . 131 20 20 U H1' H 5.495 0.05 . 132 20 20 U HO2' H 6.547 0.05 . 133 20 20 U H2' H 3.674 0.05 . 134 20 20 U H3 H 11.654 0.05 . 135 20 20 U H5 H 5.690 0.05 . 136 20 20 U H6 H 7.745 0.05 . 137 20 20 U C5 C 102.234 0.12 . 138 20 20 U C6 C 139.459 0.12 . 139 21 21 U H1' H 6.071 0.05 . 140 21 21 U H2' H 4.586 0.05 . 141 21 21 U H3 H 11.404 0.05 . 142 21 21 U H3' H 4.150 0.05 . 143 21 21 U H4' H 4.397 0.05 . 144 21 21 U H5 H 5.819 0.05 . 145 21 21 U H5' H 4.156 0.05 . 146 21 21 U H5'' H 3.900 0.05 . 147 21 21 U H6 H 7.993 0.05 . 148 21 21 U C5 C 102.785 0.12 . 149 21 21 U C6 C 141.995 0.12 . 150 22 22 C H1' H 5.924 0.05 . 151 22 22 C H2' H 4.038 0.05 . 152 22 22 C H3' H 4.416 0.05 . 153 22 22 C H4' H 3.717 0.05 . 154 22 22 C H5 H 6.081 0.05 . 155 22 22 C H5' H 3.500 0.05 . 156 22 22 C H5'' H 2.586 0.05 . 157 22 22 C H6 H 7.644 0.05 . 158 22 22 C C5 C 95.961 0.12 . 159 23 23 G H1 H 9.709 0.05 . 160 23 23 G H1' H 5.933 0.05 . 161 23 23 G H2' H 4.808 0.05 . 162 23 23 G H3' H 5.618 0.05 . 163 23 23 G H5' H 4.341 0.05 . 164 23 23 G H5'' H 4.111 0.05 . 165 23 23 G H8 H 7.826 0.05 . 166 23 23 G H21 H 6.248 0.05 . 167 23 23 G C1' C 91.841 0.12 . 168 23 23 G N1 N 143.170 0.12 . 169 24 24 G H1 H 12.610 0.05 . 170 24 24 G H1' H 4.364 0.05 . 171 24 24 G H2' H 4.442 0.05 . 172 24 24 G H8 H 8.280 0.05 . 173 24 24 G H21 H 8.048 0.05 . 174 24 24 G H22 H 6.216 0.05 . 175 24 24 G C8 C 136.336 0.12 . 176 24 24 G N1 N 147.018 0.12 . 177 25 25 A H1' H 5.957 0.05 . 178 25 25 A H2 H 7.805 0.05 . 179 25 25 A H2' H 4.524 0.05 . 180 25 25 A H3' H 4.559 0.05 . 181 25 25 A H8 H 7.829 0.05 . 182 25 25 A H61 H 6.516 0.05 . 183 25 25 A H62 H 8.226 0.05 . 184 25 25 A C2 C 151.219 0.12 . 185 25 25 A C8 C 136.826 0.12 . 186 26 26 C H1' H 5.363 0.05 . 187 26 26 C H2' H 4.255 0.05 . 188 26 26 C H3' H 4.167 0.05 . 189 26 26 C H5 H 5.200 0.05 . 190 26 26 C H6 H 7.309 0.05 . 191 26 26 C H41 H 8.436 0.05 . 192 26 26 C H42 H 7.003 0.05 . 193 26 26 C C1' C 91.091 0.12 . 194 26 26 C C5 C 94.907 0.12 . 195 26 26 C C6 C 137.829 0.12 . 196 27 27 U H1' H 5.573 0.05 . 197 27 27 U H2' H 4.469 0.05 . 198 27 27 U H3 H 14.081 0.05 . 199 27 27 U H5 H 5.378 0.05 . 200 27 27 U H6 H 7.639 0.05 . 201 27 27 U C1' C 90.502 0.12 . 202 27 27 U C5 C 101.413 0.12 . 203 27 27 U N3 N 162.181 0.12 . 204 28 28 U H1' H 5.182 0.05 . 205 28 28 U H2' H 3.923 0.05 . 206 28 28 U H3 H 11.105 0.05 . 207 28 28 U H3' H 4.310 0.05 . 208 28 28 U H5 H 5.602 0.05 . 209 28 28 U H6 H 7.715 0.05 . 210 28 28 U C1' C 91.388 0.12 . 211 28 28 U C6 C 138.036 0.12 . 212 28 28 U N3 N 157.486 0.12 . 213 29 29 C H1' H 5.385 0.05 . 214 29 29 C H2' H 4.184 0.05 . 215 29 29 C H5 H 5.458 0.05 . 216 29 29 C H6 H 7.670 0.05 . 217 29 29 C C5 C 94.323 0.12 . 218 30 30 C H1' H 5.658 0.05 . 219 30 30 C H2' H 4.209 0.05 . 220 30 30 C H5 H 5.745 0.05 . 221 30 30 C H6 H 7.803 0.05 . 222 30 30 C C5 C 95.596 0.12 . 223 31 31 U H1' H 5.591 0.05 . 224 31 31 U H2' H 4.466 0.05 . 225 31 31 U H3 H 12.998 0.05 . 226 31 31 U H5 H 5.718 0.05 . 227 31 31 U H6 H 7.792 0.05 . 228 31 31 U C5 C 101.949 0.12 . 229 32 32 U H1' H 5.647 0.05 . 230 32 32 U H2' H 4.537 0.05 . 231 32 32 U H3 H 12.795 0.05 . 232 32 32 U H5 H 5.707 0.05 . 233 32 32 U H6 H 7.974 0.05 . 234 32 32 U C5 C 101.283 0.12 . 235 32 32 U C6 C 140.363 0.12 . 236 32 32 U N3 N 161.808 0.12 . 237 33 33 A H1' H 5.956 0.05 . 238 33 33 A H2 H 6.939 0.05 . 239 33 33 A H2' H 4.354 0.05 . 240 33 33 A H8 H 8.211 0.05 . 241 33 33 A H61 H 6.377 0.05 . 242 33 33 A H62 H 7.541 0.05 . 243 33 33 A C2 C 150.354 0.12 . 244 33 33 A C8 C 137.537 0.12 . 245 34 34 U H1' H 5.354 0.05 . 246 34 34 U H2' H 4.265 0.05 . 247 34 34 U H3 H 13.111 0.05 . 248 34 34 U H5 H 5.077 0.05 . 249 34 34 U H6 H 7.614 0.05 . 250 34 34 U C1' C 90.365 0.12 . 251 34 34 U N3 N 161.379 0.12 . 252 35 35 A H1' H 5.934 0.05 . 253 35 35 A H2 H 7.077 0.05 . 254 35 35 A H2' H 4.423 0.05 . 255 35 35 A H3' H 4.579 0.05 . 256 35 35 A H8 H 8.072 0.05 . 257 35 35 A H61 H 6.217 0.05 . 258 35 35 A H62 H 7.752 0.05 . 259 35 35 A C2 C 150.652 0.12 . 260 36 36 C H1' H 5.305 0.05 . 261 36 36 C H2' H 4.161 0.05 . 262 36 36 C H3' H 4.227 0.05 . 263 36 36 C H4' H 4.307 0.05 . 264 36 36 C H5 H 5.143 0.05 . 265 36 36 C H6 H 7.413 0.05 . 266 36 36 C H41 H 8.178 0.05 . 267 36 36 C H42 H 6.755 0.05 . 268 36 36 C C1' C 91.076 0.12 . 269 36 36 C C5 C 94.609 0.12 . 270 36 36 C C6 C 137.984 0.12 . 271 37 37 U H1' H 5.564 0.05 . 272 37 37 U H2' H 4.305 0.05 . 273 37 37 U H3' H 4.462 0.05 . 274 37 37 U H5 H 5.359 0.05 . 275 37 37 U H6 H 7.714 0.05 . 276 37 37 U C1' C 91.040 0.12 . 277 37 37 U C5 C 101.086 0.12 . 278 38 38 U H1' H 5.413 0.05 . 279 38 38 U H2' H 4.437 0.05 . 280 38 38 U H5 H 5.714 0.05 . 281 38 38 U H6 H 7.926 0.05 . 282 38 38 U C1' C 90.825 0.12 . 283 38 38 U C5 C 101.614 0.12 . 284 38 38 U C6 C 139.431 0.12 . 285 39 39 A H1' H 5.871 0.05 . 286 39 39 A H2 H 7.185 0.05 . 287 39 39 A H2' H 4.491 0.05 . 288 39 39 A H8 H 8.102 0.05 . 289 39 39 A C2 C 150.842 0.12 . 290 40 40 U H1' H 5.229 0.05 . 291 40 40 U H2' H 3.926 0.05 . 292 40 40 U H3 H 11.107 0.05 . 293 40 40 U H5 H 5.367 0.05 . 294 40 40 U H6 H 7.610 0.05 . 295 40 40 U C1' C 90.528 0.12 . 296 40 40 U C5 C 101.264 0.12 . 297 40 40 U N3 N 157.486 0.12 . 298 41 41 C H1' H 5.519 0.05 . 299 41 41 C H2' H 4.123 0.05 . 300 41 41 C H5 H 5.607 0.05 . 301 41 41 C H6 H 7.888 0.05 . 302 41 41 C H41 H 8.425 0.05 . 303 41 41 C H42 H 6.794 0.05 . 304 41 41 C C5 C 95.213 0.12 . 305 41 41 C C6 C 139.894 0.12 . 306 42 42 C H1' H 5.681 0.05 . 307 42 42 C H2' H 3.934 0.05 . 308 42 42 C H5 H 5.502 0.05 . 309 42 42 C H6 H 7.632 0.05 . 310 42 42 C H41 H 7.312 0.05 . 311 42 42 C H42 H 8.050 0.05 . 312 42 42 C C5 C 95.489 0.12 . stop_ save_