data_25784 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR Assignment and structure of CssA Thermometer from Neisseria meningitidis ; _BMRB_accession_number 25784 _BMRB_flat_file_name bmr25784.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 . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 287 "13C chemical shifts" 31 "15N chemical shifts" 26 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' 25781 'CssA3 (top stem) of CssA thermometer' 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 'CssA Thermometer from Neisseria meningitidis' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'RNA (68-MER)' $RNA_(68-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_(68-MER) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common CssA_RNA_thermometer_(68-MER) _Molecular_mass 21654.873 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 68 _Mol_residue_sequence ; GGAAUUUAUGAGUACGUAGA GUAUAAUUAGUCUUCGGACU UCCUUAUACUUAUAUACUUA UAGAUUCC ; 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 G 17 17 U 18 18 A 19 19 G 20 20 A 21 21 G 22 22 U 23 23 A 24 24 U 25 25 A 26 26 A 27 27 U 28 28 U 29 29 A 30 30 G 31 31 U 32 32 C 33 33 U 34 34 U 35 35 C 36 36 G 37 37 G 38 38 A 39 39 C 40 40 U 41 41 U 42 42 C 43 43 C 44 44 U 45 45 U 46 46 A 47 47 U 48 48 A 49 49 C 50 50 U 51 51 U 52 52 A 53 53 U 54 54 A 55 55 U 56 56 A 57 57 C 58 58 U 59 59 U 60 60 A 61 61 U 62 62 A 63 63 G 64 64 A 65 65 U 66 66 U 67 67 C 68 68 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_(68-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_(68-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_(68-MER) . mM 0.4 1.1 'natural abundance' $RNA_(68-MER) . mM 0.4 1.1 '13C/15N-uniformly labeled' $RNA_(68-MER) . mM 0.4 1.1 '13C/15N-AU labeled' $RNA_(68-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 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-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_2D_DQF-COSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _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 273 . 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 1H-13C NOESY' 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 (68-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 5.764 0.05 . 2 1 1 G HO2' H 4.866 0.05 . 3 1 1 G H8 H 8.097 0.05 . 4 2 2 G H1 H 12.296 0.05 . 5 2 2 G H1' H 5.841 0.05 . 6 2 2 G H2' H 4.625 0.05 . 7 2 2 G H8 H 7.488 0.05 . 8 2 2 G N1 N 146.704 0.12 . 9 3 3 A H1' H 5.886 0.05 . 10 3 3 A H2 H 7.170 0.05 . 11 3 3 A H2' H 4.605 0.05 . 12 3 3 A H8 H 7.698 0.05 . 13 3 3 A C2 C 150.278 0.12 . 14 4 4 A H1' H 5.817 0.05 . 15 4 4 A H2 H 7.731 0.05 . 16 4 4 A H2' H 4.456 0.05 . 17 4 4 A H8 H 7.617 0.05 . 18 4 4 A C2 C 150.914 0.12 . 19 5 5 U H1' H 5.352 0.05 . 20 5 5 U H2' H 4.482 0.05 . 21 5 5 U H3 H 14.040 0.05 . 22 5 5 U H6 H 7.303 0.05 . 23 5 5 U N3 N 161.556 0.12 . 24 6 6 U H1' H 5.428 0.05 . 25 6 6 U H2' H 4.087 0.05 . 26 6 6 U H3 H 11.640 0.05 . 27 6 6 U H5 H 5.619 0.05 . 28 6 6 U H6 H 7.808 0.05 . 29 6 6 U N3 N 157.959 0.12 . 30 7 7 U H1' H 5.414 0.05 . 31 7 7 U H2' H 4.447 0.05 . 32 7 7 U H3 H 13.292 0.05 . 33 7 7 U H5 H 5.549 0.05 . 34 7 7 U H6 H 7.952 0.05 . 35 7 7 U N3 N 161.553 0.12 . 36 8 8 A H1' H 5.912 0.05 . 37 8 8 A H2 H 7.002 0.05 . 38 8 8 A H2' H 4.311 0.05 . 39 8 8 A H8 H 8.101 0.05 . 40 8 8 A C2 C 150.525 0.12 . 41 9 9 U H1' H 5.445 0.05 . 42 9 9 U H2' H 4.365 0.05 . 43 9 9 U H3 H 13.181 0.05 . 44 9 9 U H5 H 5.097 0.05 . 45 9 9 U H6 H 7.475 0.05 . 46 9 9 U C5 C 100.360 0.12 . 47 9 9 U N3 N 161.856 0.12 . 48 10 10 G H1 H 9.780 0.05 . 49 10 10 G H1' H 5.603 0.05 . 50 10 10 G H2' H 4.608 0.05 . 51 10 10 G H8 H 7.485 0.05 . 52 10 10 G H21 H 5.922 0.05 . 53 10 10 G N1 N 141.451 0.12 . 54 11 11 A H1' H 5.758 0.05 . 55 11 11 A H2 H 7.438 0.05 . 56 11 11 A H2' H 4.584 0.05 . 57 11 11 A H8 H 7.518 0.05 . 58 11 11 A C2 C 150.544 0.12 . 59 12 12 G H1 H 13.150 0.05 . 60 12 12 G H1' H 5.512 0.05 . 61 12 12 G H2' H 4.364 0.05 . 62 12 12 G H8 H 6.989 0.05 . 63 12 12 G C8 C 133.218 0.12 . 64 12 12 G N1 N 147.719 0.12 . 65 13 13 U H1' H 5.453 0.05 . 66 13 13 U H2' H 4.604 0.05 . 67 13 13 U H3 H 13.357 0.05 . 68 13 13 U H6 H 7.634 0.05 . 69 13 13 U N3 N 161.528 0.12 . 70 14 14 A H1' H 5.858 0.05 . 71 14 14 A H2 H 7.022 0.05 . 72 14 14 A H2' H 4.582 0.05 . 73 14 14 A H8 H 7.940 0.05 . 74 15 15 C H1' H 5.205 0.05 . 75 15 15 C H2' H 3.969 0.05 . 76 15 15 C H5 H 5.380 0.05 . 77 15 15 C H6 H 7.537 0.05 . 78 16 16 G H1' H 5.506 0.05 . 79 16 16 G H2' H 4.462 0.05 . 80 16 16 G H8 H 7.587 0.05 . 81 17 17 U H1' H 5.396 0.05 . 82 17 17 U H2' H 4.108 0.05 . 83 17 17 U H5 H 5.280 0.05 . 84 17 17 U H6 H 7.418 0.05 . 85 18 18 A H1' H 5.940 0.05 . 86 18 18 A H2' H 4.633 0.05 . 87 18 18 A H8 H 8.069 0.05 . 88 19 19 G H1' H 5.687 0.05 . 89 19 19 G H2' H 4.560 0.05 . 90 19 19 G H8 H 7.762 0.05 . 91 20 20 A H1' H 5.843 0.05 . 92 20 20 A H2 H 7.461 0.05 . 93 20 20 A H2' H 4.680 0.05 . 94 20 20 A H8 H 7.807 0.05 . 95 20 20 A C2 C 150.544 0.12 . 96 21 21 G H1 H 13.135 0.05 . 97 21 21 G H1' H 5.602 0.05 . 98 21 21 G H2' H 4.404 0.05 . 99 21 21 G H8 H 7.158 0.05 . 100 21 21 G N1 N 147.688 0.12 . 101 22 22 U H1' H 5.479 0.05 . 102 22 22 U H2' H 4.536 0.05 . 103 22 22 U H3 H 13.402 0.05 . 104 22 22 U H6 H 7.643 0.05 . 105 22 22 U N3 N 161.544 0.12 . 106 23 23 A H1' H 5.934 0.05 . 107 23 23 A H2 H 6.932 0.05 . 108 23 23 A H2' H 4.389 0.05 . 109 23 23 A H8 H 8.071 0.05 . 110 24 24 U H1' H 5.328 0.05 . 111 24 24 U H2' H 4.291 0.05 . 112 24 24 U H3 H 13.108 0.05 . 113 24 24 U H6 H 7.570 0.05 . 114 24 24 U N3 N 161.222 0.12 . 115 25 25 A H1' H 5.846 0.05 . 116 25 25 A H2 H 6.558 0.05 . 117 25 25 A H2' H 4.481 0.05 . 118 25 25 A H8 H 7.935 0.05 . 119 25 25 A H61 H 6.552 0.05 . 120 25 25 A H62 H 7.637 0.05 . 121 25 25 A C2 C 149.686 0.12 . 122 26 26 A H1' H 5.695 0.05 . 123 26 26 A H2 H 7.762 0.05 . 124 26 26 A H2' H 4.265 0.05 . 125 26 26 A H8 H 7.504 0.05 . 126 26 26 A C2 C 151.194 0.12 . 127 27 27 U H1' H 5.305 0.05 . 128 27 27 U H2' H 3.970 0.05 . 129 27 27 U H5 H 5.125 0.05 . 130 27 27 U H6 H 7.260 0.05 . 131 27 27 U C5 C 100.936 0.12 . 132 28 28 U H1' H 5.266 0.05 . 133 28 28 U H2' H 4.501 0.05 . 134 28 28 U H3 H 10.068 0.05 . 135 28 28 U H5 H 5.586 0.05 . 136 28 28 U H6 H 7.796 0.05 . 137 29 29 A H1' H 5.962 0.05 . 138 29 29 A H2 H 7.605 0.05 . 139 29 29 A H2' H 4.702 0.05 . 140 29 29 A H8 H 8.079 0.05 . 141 29 29 A C2 C 150.247 0.12 . 142 30 30 G H1 H 13.200 0.05 . 143 30 30 G H1' H 5.630 0.05 . 144 30 30 G H2' H 4.412 0.05 . 145 30 30 G H8 H 7.141 0.05 . 146 30 30 G H21 H 8.574 0.05 . 147 30 30 G N1 N 148.000 0.12 . 148 31 31 U H1' H 5.572 0.05 . 149 31 31 U H2' H 4.550 0.05 . 150 31 31 U H3 H 14.342 0.05 . 151 31 31 U H6 H 7.796 0.05 . 152 31 31 U N3 N 162.606 0.12 . 153 32 32 C H1' H 5.511 0.05 . 154 32 32 C H2' H 4.425 0.05 . 155 32 32 C H5 H 5.665 0.05 . 156 32 32 C H6 H 7.688 0.05 . 157 32 32 C H41 H 8.413 0.05 . 158 32 32 C C5 C 94.806 0.12 . 159 33 33 U H1' H 5.403 0.05 . 160 33 33 U H2' H 3.692 0.05 . 161 33 33 U H3 H 11.553 0.05 . 162 33 33 U H5 H 5.765 0.05 . 163 33 33 U H6 H 7.731 0.05 . 164 33 33 U C5 C 102.271 0.12 . 165 33 33 U N3 N 158.524 0.12 . 166 34 34 U H1' H 6.052 0.05 . 167 34 34 U H2' H 4.601 0.05 . 168 34 34 U H3 H 13.714 0.05 . 169 34 34 U H5 H 5.854 0.05 . 170 34 34 U H6 H 7.990 0.05 . 171 34 34 U C5 C 102.799 0.12 . 172 34 34 U C6 C 141.968 0.12 . 173 34 34 U N3 N 162.817 0.12 . 174 35 35 C H1' H 5.885 0.05 . 175 35 35 C H2' H 4.030 0.05 . 176 35 35 C H5 H 6.124 0.05 . 177 35 35 C H6 H 7.622 0.05 . 178 35 35 C H41 H 8.227 0.05 . 179 35 35 C C5 C 95.986 0.12 . 180 36 36 G H1 H 9.713 0.05 . 181 36 36 G H1' H 5.908 0.05 . 182 36 36 G H2' H 4.788 0.05 . 183 36 36 G H3' H 5.581 0.05 . 184 36 36 G H8 H 7.847 0.05 . 185 36 36 G N1 N 142.949 0.12 . 186 37 37 G H1 H 12.574 0.05 . 187 37 37 G H1' H 4.382 0.05 . 188 37 37 G H2' H 4.460 0.05 . 189 37 37 G H8 H 8.251 0.05 . 190 37 37 G N1 N 146.831 0.12 . 191 38 38 A H1' H 5.948 0.05 . 192 38 38 A H2 H 7.820 0.05 . 193 38 38 A H2' H 4.524 0.05 . 194 38 38 A H8 H 7.795 0.05 . 195 38 38 A C2 C 151.222 0.12 . 196 39 39 C H1' H 5.350 0.05 . 197 39 39 C H2' H 4.264 0.05 . 198 39 39 C H5 H 5.198 0.05 . 199 39 39 C H6 H 7.294 0.05 . 200 39 39 C C5 C 94.886 0.12 . 201 40 40 U H1' H 5.545 0.05 . 202 40 40 U H2' H 4.454 0.05 . 203 40 40 U H3 H 14.140 0.05 . 204 40 40 U H6 H 7.615 0.05 . 205 41 41 U H1' H 5.199 0.05 . 206 41 41 U H2' H 3.977 0.05 . 207 41 41 U H3 H 11.204 0.05 . 208 41 41 U H5 H 5.735 0.05 . 209 41 41 U H6 H 7.688 0.05 . 210 41 41 U C5 C 101.957 0.12 . 211 41 41 U N3 N 157.960 0.12 . 212 42 42 C H1' H 5.377 0.05 . 213 42 42 C H2' H 4.158 0.05 . 214 42 42 C H5 H 5.602 0.05 . 215 42 42 C H6 H 7.673 0.05 . 216 42 42 C C5 C 94.336 0.12 . 217 43 43 C H1' H 5.636 0.05 . 218 43 43 C H2' H 4.220 0.05 . 219 43 43 C H5 H 5.702 0.05 . 220 43 43 C H6 H 7.787 0.05 . 221 44 44 U H1' H 5.627 0.05 . 222 44 44 U H2' H 4.468 0.05 . 223 44 44 U H5 H 5.749 0.05 . 224 44 44 U H6 H 7.780 0.05 . 225 44 44 U C5 C 101.863 0.12 . 226 45 45 U H1' H 5.632 0.05 . 227 45 45 U H2' H 4.557 0.05 . 228 45 45 U H3 H 12.847 0.05 . 229 45 45 U H5 H 5.734 0.05 . 230 45 45 U H6 H 7.947 0.05 . 231 45 45 U C5 C 101.217 0.12 . 232 45 45 U N3 N 161.811 0.12 . 233 46 46 A H1' H 5.935 0.05 . 234 46 46 A H2 H 6.930 0.05 . 235 46 46 A H2' H 4.375 0.05 . 236 46 46 A H8 H 8.183 0.05 . 237 47 47 U H1' H 5.329 0.05 . 238 47 47 U H2' H 4.283 0.05 . 239 47 47 U H3 H 13.126 0.05 . 240 47 47 U H6 H 7.538 0.05 . 241 47 47 U N3 N 161.191 0.12 . 242 48 48 A H1' H 5.900 0.05 . 243 48 48 A H2 H 7.052 0.05 . 244 48 48 A H2' H 4.429 0.05 . 245 48 48 A H8 H 8.023 0.05 . 246 49 49 C H1' H 5.261 0.05 . 247 49 49 C H2' H 4.132 0.05 . 248 49 49 C H5 H 5.297 0.05 . 249 49 49 C H6 H 7.356 0.05 . 250 49 49 C C5 C 95.040 0.12 . 251 50 50 U H1' H 5.503 0.05 . 252 50 50 U H2' H 4.390 0.05 . 253 50 50 U H6 H 7.667 0.05 . 254 51 51 U H1' H 5.381 0.05 . 255 51 51 U H2' H 4.349 0.05 . 256 51 51 U H5 H 5.638 0.05 . 257 51 51 U H6 H 7.785 0.05 . 258 52 52 A H1' H 5.780 0.05 . 259 52 52 A H2 H 7.195 0.05 . 260 52 52 A H2' H 4.441 0.05 . 261 52 52 A H8 H 8.046 0.05 . 262 53 53 U H1' H 5.436 0.05 . 263 53 53 U H2' H 4.274 0.05 . 264 53 53 U H6 H 7.483 0.05 . 265 54 54 A H1' H 5.852 0.05 . 266 54 54 A H2 H 7.892 0.05 . 267 54 54 A H2' H 4.568 0.05 . 268 54 54 A H8 H 8.305 0.05 . 269 55 55 U H1' H 5.247 0.05 . 270 55 55 U H2' H 4.273 0.05 . 271 55 55 U H3 H 13.670 0.05 . 272 55 55 U H6 H 7.571 0.05 . 273 55 55 U N3 N 162.842 0.12 . 274 56 56 A H1' H 5.934 0.05 . 275 56 56 A H2 H 7.098 0.05 . 276 56 56 A H2' H 4.464 0.05 . 277 56 56 A H8 H 8.079 0.05 . 278 57 57 C H1' H 5.276 0.05 . 279 57 57 C H2' H 4.139 0.05 . 280 57 57 C H5 H 5.126 0.05 . 281 57 57 C H6 H 7.385 0.05 . 282 57 57 C C5 C 94.548 0.12 . 283 58 58 U H1' H 5.496 0.05 . 284 58 58 U H2' H 4.610 0.05 . 285 58 58 U H3 H 13.800 0.05 . 286 58 58 U H5 H 5.223 0.05 . 287 58 58 U H6 H 7.652 0.05 . 288 58 58 U N3 N 161.411 0.12 . 289 59 59 U H1' H 5.351 0.05 . 290 59 59 U H2' H 4.201 0.05 . 291 59 59 U H3 H 11.303 0.05 . 292 59 59 U H5 H 5.719 0.05 . 293 59 59 U H6 H 7.824 0.05 . 294 59 59 U N3 N 157.648 0.12 . 295 60 60 A H1' H 5.790 0.05 . 296 60 60 A H2 H 7.126 0.05 . 297 60 60 A H2' H 4.388 0.05 . 298 60 60 A H8 H 8.291 0.05 . 299 60 60 A C2 C 150.278 0.12 . 300 61 61 U H1' H 5.374 0.05 . 301 61 61 U H2' H 4.286 0.05 . 302 61 61 U H3 H 13.111 0.05 . 303 61 61 U H6 H 7.575 0.05 . 304 61 61 U N3 N 161.056 0.12 . 305 62 62 A H1' H 5.993 0.05 . 306 62 62 A H2 H 6.540 0.05 . 307 62 62 A H2' H 4.536 0.05 . 308 62 62 A H8 H 8.022 0.05 . 309 62 62 A C2 C 149.512 0.12 . 310 63 63 G H1 H 10.493 0.05 . 311 63 63 G H1' H 5.429 0.05 . 312 63 63 G H2' H 4.603 0.05 . 313 63 63 G H8 H 6.845 0.05 . 314 63 63 G H21 H 6.178 0.05 . 315 63 63 G C8 C 133.893 0.12 . 316 63 63 G N1 N 142.197 0.12 . 317 64 64 A H1' H 5.848 0.05 . 318 64 64 A H2 H 7.860 0.05 . 319 64 64 A H2' H 4.405 0.05 . 320 64 64 A H8 H 7.643 0.05 . 321 64 64 A C2 C 151.315 0.12 . 322 65 65 U H1' H 5.479 0.05 . 323 65 65 U H2' H 4.310 0.05 . 324 65 65 U H3 H 13.998 0.05 . 325 65 65 U H6 H 7.576 0.05 . 326 65 65 U N3 N 161.856 0.12 . 327 66 66 U H1' H 5.603 0.05 . 328 66 66 U H2' H 4.403 0.05 . 329 66 66 U H3 H 13.714 0.05 . 330 66 66 U H5 H 5.481 0.05 . 331 66 66 U H6 H 7.925 0.05 . 332 66 66 U C5 C 100.532 0.12 . 333 67 67 C H1' H 5.496 0.05 . 334 67 67 C H2' H 4.131 0.05 . 335 67 67 C H5 H 5.624 0.05 . 336 67 67 C H6 H 7.819 0.05 . 337 67 67 C H41 H 8.217 0.05 . 338 67 67 C H42 H 6.857 0.05 . 339 67 67 C C5 C 95.223 0.12 . 340 68 68 C H1' H 5.654 0.05 . 341 68 68 C H2' H 4.018 0.05 . 342 68 68 C H5 H 5.460 0.05 . 343 68 68 C H6 H 7.586 0.05 . 344 68 68 C C5 C 95.464 0.12 . stop_ save_