data_25780 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure of CssA4 (bottom stem) of CssA thermometer ; _BMRB_accession_number 25780 _BMRB_flat_file_name bmr25780.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" 215 "13C chemical shifts" 76 "15N chemical shifts" 17 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 25781 'CssA3 (top 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 'CssA4 (bottom stem) of CssA thermometer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'RNA (36-MER)' $RNA_(36-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_(36-MER) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common RNA_(36-MER) _Molecular_mass 11474.870 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 36 _Mol_residue_sequence ; GGAAUUUAUGAGUACCUUCG GAUACUUAUAGAUUCC ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 G 2 2 G 3 3 A 4 4 A 5 5 U 6 6 U 7 7 U 8 8 A 9 9 U 10 10 G 11 11 A 12 12 G 13 13 U 14 14 A 15 15 C 16 16 C 17 17 U 18 18 U 19 19 C 20 20 G 21 21 G 22 22 A 23 23 U 24 24 A 25 25 C 26 26 U 27 27 U 28 28 A 29 29 U 30 30 A 31 31 G 32 32 A 33 33 U 34 34 U 35 35 C 36 36 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_(36-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_type _Vector_name $RNA_(36-MER) 'in vitro transcription' . . . . 'DNA template' . 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_(36-MER) . mM 0.4 1.1 'natural abundance' $RNA_(36-MER) . mM 0.4 1.1 '13C/15N-uniformly labeled' $RNA_(36-MER) . mM 0.4 1.1 '13C/15N-AU labeled' $RNA_(36-MER) . mM 0.4 1.1 'partially deuterated' H2O 95 % . . 'natural abundance' D2O 5 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection 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_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_ 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 'peak picking' refinement 'structure solution' 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-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_DQF-COSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _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_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _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_ _Software_label $TOPSPIN stop_ loop_ _Experiment_label '2D 1H-1H NOESY' '2D 1H-1H TOCSY' '2D 1H-13C HSQC' '2D 1H-15N HSQC' '3D 1H-13C NOESY' '3D HCCH-TOCSY' 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 (36-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 C8 C 136.435 0.12 . 2 1 1 G H1' H 5.693 0.05 . 3 1 1 G H2' H 4.803 0.05 . 4 1 1 G H8 H 8.041 0.05 . 5 2 2 G H1 H 12.252 0.05 . 6 2 2 G H1' H 5.787 0.05 . 7 2 2 G H2' H 4.581 0.05 . 8 2 2 G H3' H 4.475 0.05 . 9 2 2 G H8 H 7.448 0.05 . 10 2 2 G C1' C 90.191 0.12 . 11 2 2 G C8 C 134.391 0.12 . 12 2 2 G N1 N 146.706 0.12 . 13 3 3 A H1' H 5.840 0.05 . 14 3 3 A H2 H 7.104 0.05 . 15 3 3 A H2' H 4.569 0.05 . 16 3 3 A H8 H 7.662 0.05 . 17 3 3 A C1' C 90.792 0.12 . 18 3 3 A C2 C 150.258 0.12 . 19 3 3 A C8 C 136.754 0.12 . 20 4 4 A H1' H 5.751 0.05 . 21 4 4 A H2 H 7.666 0.05 . 22 4 4 A H2' H 4.421 0.05 . 23 4 4 A H8 H 7.578 0.05 . 24 4 4 A C2 C 150.880 0.12 . 25 4 4 A C8 C 136.509 0.12 . 26 5 5 U H1' H 5.297 0.05 . 27 5 5 U H2' H 4.435 0.05 . 28 5 5 U H3 H 13.982 0.05 . 29 5 5 U H5 H 4.871 0.05 . 30 5 5 U H6 H 7.257 0.05 . 31 5 5 U C1' C 90.926 0.12 . 32 5 5 U C5 C 100.600 0.12 . 33 5 5 U C6 C 138.160 0.12 . 34 5 5 U N3 N 161.556 0.12 . 35 6 6 U H1' H 5.366 0.05 . 36 6 6 U H2' H 4.042 0.05 . 37 6 6 U H3 H 11.598 0.05 . 38 6 6 U H3' H 4.104 0.05 . 39 6 6 U H5 H 5.561 0.05 . 40 6 6 U H6 H 7.742 0.05 . 41 6 6 U C5 C 102.398 0.12 . 42 6 6 U N3 N 157.940 0.12 . 43 7 7 U H1' H 5.354 0.05 . 44 7 7 U H2' H 4.409 0.05 . 45 7 7 U H3 H 13.207 0.05 . 46 7 7 U H3' H 4.471 0.05 . 47 7 7 U H5 H 5.523 0.05 . 48 7 7 U H6 H 7.906 0.05 . 49 7 7 U C5 C 100.918 0.12 . 50 7 7 U C6 C 140.199 0.12 . 51 7 7 U N3 N 161.513 0.12 . 52 8 8 A H1' H 5.862 0.05 . 53 8 8 A H2 H 6.950 0.05 . 54 8 8 A H2' H 4.272 0.05 . 55 8 8 A H8 H 8.065 0.05 . 56 8 8 A C1' C 90.279 0.12 . 57 8 8 A C2 C 150.498 0.12 . 58 8 8 A C8 C 137.271 0.12 . 59 9 9 U H1' H 5.391 0.05 . 60 9 9 U H2' H 4.339 0.05 . 61 9 9 U H3 H 13.395 0.05 . 62 9 9 U H3' H 4.353 0.05 . 63 9 9 U H5 H 4.965 0.05 . 64 9 9 U H6 H 7.437 0.05 . 65 9 9 U C1' C 89.620 0.12 . 66 9 9 U C5 C 100.415 0.12 . 67 9 9 U C6 C 138.398 0.12 . 68 9 9 U N3 N 161.800 0.12 . 69 10 10 G H1 H 9.780 0.05 . 70 10 10 G H1' H 5.547 0.05 . 71 10 10 G H2' H 4.621 0.05 . 72 10 10 G H3' H 4.200 0.05 . 73 10 10 G H8 H 7.456 0.05 . 74 10 10 G H21 H 5.862 0.05 . 75 10 10 G C8 C 134.540 0.12 . 76 10 10 G N1 N 141.559 0.12 . 77 11 11 A H1' H 5.729 0.05 . 78 11 11 A H2 H 7.392 0.05 . 79 11 11 A H2' H 4.571 0.05 . 80 11 11 A H3' H 4.502 0.05 . 81 11 11 A H8 H 7.485 0.05 . 82 11 11 A C1' C 90.339 0.12 . 83 11 11 A C2 C 150.569 0.12 . 84 11 11 A C8 C 136.526 0.12 . 85 12 12 G H1 H 13.157 0.05 . 86 12 12 G H1' H 5.468 0.05 . 87 12 12 G H2' H 4.337 0.05 . 88 12 12 G H3' H 4.231 0.05 . 89 12 12 G H8 H 6.953 0.05 . 90 12 12 G H21 H 8.320 0.05 . 91 12 12 G C1' C 90.479 0.12 . 92 12 12 G C8 C 133.291 0.12 . 93 12 12 G N1 N 147.823 0.12 . 94 13 13 U H1' H 5.421 0.05 . 95 13 13 U H2' H 4.569 0.05 . 96 13 13 U H3 H 13.296 0.05 . 97 13 13 U H3' H 4.333 0.05 . 98 13 13 U H5 H 4.950 0.05 . 99 13 13 U H6 H 7.588 0.05 . 100 13 13 U C5 C 100.173 0.12 . 101 13 13 U N3 N 161.569 0.12 . 102 14 14 A H1' H 5.845 0.05 . 103 14 14 A H2 H 7.047 0.05 . 104 14 14 A H2' H 4.538 0.05 . 105 14 14 A H3' H 4.427 0.05 . 106 14 14 A H8 H 7.952 0.05 . 107 14 14 A H61 H 6.403 0.05 . 108 14 14 A H62 H 7.626 0.05 . 109 14 14 A C2 C 150.498 0.12 . 110 14 14 A C8 C 136.991 0.12 . 111 15 15 C H1' H 5.189 0.05 . 112 15 15 C H2' H 3.903 0.05 . 113 15 15 C H3' H 4.370 0.05 . 114 15 15 C H5 H 5.392 0.05 . 115 15 15 C H6 H 7.692 0.05 . 116 15 15 C H41 H 7.131 0.05 . 117 15 15 C H42 H 6.650 0.05 . 118 15 15 C C1' C 90.498 0.12 . 119 15 15 C C5 C 95.623 0.12 . 120 15 15 C C6 C 138.568 0.12 . 121 16 16 C H1' H 5.492 0.05 . 122 16 16 C H2' H 4.214 0.05 . 123 16 16 C H3' H 4.097 0.05 . 124 16 16 C H5 H 5.400 0.05 . 125 16 16 C H6 H 7.569 0.05 . 126 16 16 C H41 H 8.511 0.05 . 127 16 16 C H42 H 6.916 0.05 . 128 16 16 C C1' C 90.947 0.12 . 129 16 16 C C5 C 95.046 0.12 . 130 17 17 U H1' H 5.370 0.05 . 131 17 17 U HO2' H 6.450 0.05 . 132 17 17 U H2' H 3.597 0.05 . 133 17 17 U H3' H 4.382 0.05 . 134 17 17 U H4' H 4.202 0.05 . 135 17 17 U H5 H 5.538 0.05 . 136 17 17 U H6 H 7.637 0.05 . 137 17 17 U C5 C 102.491 0.12 . 138 17 17 U C6 C 137.988 0.12 . 139 18 18 U H1' H 5.977 0.05 . 140 18 18 U H2' H 4.521 0.05 . 141 18 18 U H3' H 3.971 0.05 . 142 18 18 U H5 H 5.756 0.05 . 143 18 18 U H5' H 4.099 0.05 . 144 18 18 U H5'' H 4.100 0.05 . 145 18 18 U H6 H 7.900 0.05 . 146 18 18 U C1' C 86.530 0.12 . 147 18 18 U C5 C 102.861 0.12 . 148 18 18 U C6 C 142.000 0.12 . 149 19 19 C H1' H 5.834 0.05 . 150 19 19 C H2' H 3.970 0.05 . 151 19 19 C H3' H 4.350 0.05 . 152 19 19 C H4' H 3.662 0.05 . 153 19 19 C H5 H 5.988 0.05 . 154 19 19 C H5' H 3.477 0.05 . 155 19 19 C H5'' H 2.579 0.05 . 156 19 19 C H6 H 7.560 0.05 . 157 19 19 C H41 H 7.019 0.05 . 158 19 19 C H42 H 6.167 0.05 . 159 19 19 C C1' C 86.403 0.12 . 160 19 19 C C5 C 96.011 0.12 . 161 20 20 G H1 H 9.704 0.05 . 162 20 20 G H1' H 5.861 0.05 . 163 20 20 G H2' H 4.730 0.05 . 164 20 20 G H3' H 5.529 0.05 . 165 20 20 G H4' H 4.288 0.05 . 166 20 20 G H5' H 4.287 0.05 . 167 20 20 G H5'' H 4.058 0.05 . 168 20 20 G H8 H 7.764 0.05 . 169 20 20 G C1' C 91.812 0.12 . 170 20 20 G C8 C 139.782 0.12 . 171 20 20 G N1 N 143.156 0.12 . 172 21 21 G H1 H 12.708 0.05 . 173 21 21 G H1' H 4.331 0.05 . 174 21 21 G H2' H 4.409 0.05 . 175 21 21 G H3' H 4.998 0.05 . 176 21 21 G H4' H 4.276 0.05 . 177 21 21 G H8 H 8.270 0.05 . 178 21 21 G H21 H 7.534 0.05 . 179 21 21 G H22 H 6.170 0.05 . 180 21 21 G C8 C 136.714 0.12 . 181 21 21 G N1 N 147.250 0.12 . 182 22 22 A H1' H 5.985 0.05 . 183 22 22 A H2 H 8.155 0.05 . 184 22 22 A H2' H 4.527 0.05 . 185 22 22 A H3' H 4.428 0.05 . 186 22 22 A H8 H 7.796 0.05 . 187 22 22 A H61 H 6.402 0.05 . 188 22 22 A H62 H 9.977 0.05 . 189 22 22 A C1' C 90.989 0.12 . 190 22 22 A C2 C 145.180 0.12 . 191 23 23 U H1' H 5.286 0.05 . 192 23 23 U H2' H 4.273 0.05 . 193 23 23 U H3 H 13.652 0.05 . 194 23 23 U H3' H 4.435 0.05 . 195 23 23 U H5 H 5.340 0.05 . 196 23 23 U H6 H 7.534 0.05 . 197 23 23 U C1' C 90.501 0.12 . 198 23 23 U C5 C 100.987 0.12 . 199 23 23 U N3 N 162.854 0.12 . 200 24 24 A H1' H 5.892 0.05 . 201 24 24 A H2 H 7.032 0.05 . 202 24 24 A H2' H 4.432 0.05 . 203 24 24 A H3' H 4.540 0.05 . 204 24 24 A H8 H 8.039 0.05 . 205 24 24 A C1' C 90.003 0.12 . 206 24 24 A C2 C 150.621 0.12 . 207 24 24 A C8 C 137.072 0.12 . 208 25 25 C H1' H 5.209 0.05 . 209 25 25 C H2' H 4.113 0.05 . 210 25 25 C H3' H 4.165 0.05 . 211 25 25 C H5 H 5.086 0.05 . 212 25 25 C H6 H 7.321 0.05 . 213 25 25 C H41 H 8.142 0.05 . 214 25 25 C H42 H 6.810 0.05 . 215 25 25 C C1' C 91.071 0.12 . 216 25 25 C C5 C 94.600 0.12 . 217 25 25 C C6 C 137.985 0.12 . 218 26 26 U H1' H 5.409 0.05 . 219 26 26 U H2' H 4.572 0.05 . 220 26 26 U H3 H 13.747 0.05 . 221 26 26 U H3' H 4.232 0.05 . 222 26 26 U H5 H 5.205 0.05 . 223 26 26 U H6 H 7.598 0.05 . 224 26 26 U C1' C 91.272 0.12 . 225 26 26 U C5 C 100.906 0.12 . 226 26 26 U N3 N 161.453 0.12 . 227 27 27 U H1' H 5.299 0.05 . 228 27 27 U H2' H 4.170 0.05 . 229 27 27 U H3 H 11.288 0.05 . 230 27 27 U H3' H 4.454 0.05 . 231 27 27 U H5 H 5.669 0.05 . 232 27 27 U H6 H 7.764 0.05 . 233 27 27 U C1' C 91.362 0.12 . 234 27 27 U C5 C 102.392 0.12 . 235 27 27 U N3 N 157.712 0.12 . 236 28 28 A H1' H 5.738 0.05 . 237 28 28 A H2 H 7.079 0.05 . 238 28 28 A H2' H 4.360 0.05 . 239 28 28 A H8 H 8.252 0.05 . 240 28 28 A C2 C 150.260 0.12 . 241 28 28 A C8 C 138.084 0.12 . 242 29 29 U H1' H 5.323 0.05 . 243 29 29 U H2' H 4.276 0.05 . 244 29 29 U H3 H 13.094 0.05 . 245 29 29 U H5 H 4.955 0.05 . 246 29 29 U H6 H 7.519 0.05 . 247 29 29 U C1' C 90.606 0.12 . 248 29 29 U C5 C 100.173 0.12 . 249 29 29 U N3 N 161.121 0.12 . 250 30 30 A H1' H 5.941 0.05 . 251 30 30 A H2 H 6.491 0.05 . 252 30 30 A H2' H 4.500 0.05 . 253 30 30 A H3' H 4.591 0.05 . 254 30 30 A H8 H 7.981 0.05 . 255 30 30 A C1' C 89.363 0.12 . 256 30 30 A C2 C 149.524 0.12 . 257 30 30 A C8 C 137.130 0.12 . 258 31 31 G H1 H 10.461 0.05 . 259 31 31 G H1' H 5.359 0.05 . 260 31 31 G H2' H 4.571 0.05 . 261 31 31 G H3' H 4.105 0.05 . 262 31 31 G H8 H 6.789 0.05 . 263 31 31 G H21 H 6.125 0.05 . 264 31 31 G H22 H 6.110 0.05 . 265 31 31 G C8 C 133.929 0.12 . 266 31 31 G N1 N 142.294 0.12 . 267 32 32 A H1' H 5.796 0.05 . 268 32 32 A H2 H 7.808 0.05 . 269 32 32 A HO2' H 4.374 0.05 . 270 32 32 A H2' H 4.344 0.05 . 271 32 32 A H8 H 7.607 0.05 . 272 32 32 A C1' C 90.597 0.12 . 273 32 32 A C2 C 151.311 0.12 . 274 32 32 A C8 C 136.726 0.12 . 275 33 33 U H1' H 5.416 0.05 . 276 33 33 U H2' H 4.282 0.05 . 277 33 33 U H3 H 13.921 0.05 . 278 33 33 U H3' H 4.313 0.05 . 279 33 33 U H5' H 4.851 0.05 . 280 33 33 U H5'' H 4.860 0.05 . 281 33 33 U H6 H 7.511 0.05 . 282 33 33 U C5 C 99.926 0.12 . 283 33 33 U N3 N 161.884 0.12 . 284 34 34 U H1' H 5.538 0.05 . 285 34 34 U H2' H 4.364 0.05 . 286 34 34 U H3 H 13.658 0.05 . 287 34 34 U H3' H 4.383 0.05 . 288 34 34 U H5 H 5.429 0.05 . 289 34 34 U H6 H 7.873 0.05 . 290 34 34 U C5 C 100.594 0.12 . 291 34 34 U C6 C 139.835 0.12 . 292 34 34 U N3 N 161.896 0.12 . 293 35 35 C H1' H 5.446 0.05 . 294 35 35 C H2' H 4.094 0.05 . 295 35 35 C H5 H 5.551 0.05 . 296 35 35 C H6 H 7.759 0.05 . 297 35 35 C H41 H 8.228 0.05 . 298 35 35 C H42 H 6.815 0.05 . 299 35 35 C C1' C 91.652 0.12 . 300 35 35 C C5 C 94.853 0.12 . 301 36 36 C H1' H 5.607 0.05 . 302 36 36 C H2' H 3.864 0.05 . 303 36 36 C H5 H 5.367 0.05 . 304 36 36 C H6 H 7.528 0.05 . 305 36 36 C H41 H 8.084 0.05 . 306 36 36 C H42 H 6.864 0.05 . 307 36 36 C C1' C 90.130 0.12 . 308 36 36 C C5 C 95.508 0.12 . stop_ save_