data_50347 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Assignment of anomeric protons and base 1H, 13C and 15N chemical shifts for 5_SL4 ; _BMRB_accession_number 50347 _BMRB_flat_file_name bmr50347.str _Entry_type original _Submission_date 2020-06-23 _Accession_date 2020-06-23 _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 Schwalbe Harald . . 2 Richter Christian . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 172 "13C chemical shifts" 74 "15N chemical shifts" 105 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-12-18 update BMRB 'update entry citation' 2020-07-10 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 50339 'chemical shifts of the 5_SL5B+C' 50340 'chemical shifts of the 5_SL5stem' 50341 'chemical shifts of the 3_s2m' 50342 'chemical shifts of the 3_SL1' 50343 'chemical shifts of the 2_SL3' 50344 'chemical shifts of the 5_SL2+3' 50346 'chemical shifts of the 5_SL5a' 50348 'chemical shifts of the PK (Pseudoknot)' 50349 'chemical shifts of the 5_SL1' 50350 'chemical shifts of the 3_SL3base' 50351 'chemical shifts of the 5_SL6' 50352 'chemical shifts of the 5_SL8' stop_ _Original_release_date 2020-06-30 save_ ############################# # Citation for this entry # ############################# save_citations_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Secondary structure determination of conserved SARS-CoV-2 RNA elements by NMR spectroscopy ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 33167030 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wacker Anna . . 2 Weigand Julia E. . 3 Akabayov Sabine R. . 4 Altincekic Nadide . . 5 'Kaur Bains' Jasleen . . 6 Banijamali Elnaz . . 7 Binas Oliver . . 8 Castillo-Martinez Jesus . . 9 Cetiner Erhan . . 10 Ceylan Betul . . 11 Chiu Liang-Yuan . . 12 Davila-Calderon Jesse . . 13 'De Jesus' Vanessa . . 14 Dhamotharan Karthikeyan . . 15 Duchardt-Ferner Elke . . 16 Ferner Jan . . 17 Frydman Lucio . . 18 Furtig Boris . . 19 Gallego Jose . . 20 Grun 'J. Tassilo' . . 21 Hacker Carolin . . 22 Haddad Christina . . 23 Hahnke Martin . . 24 Hengesbach Martin . . 25 Hiller Fabian . . 26 Hohmann Katharina F. . 27 Hymon Daniel . . 28 Jonker Henry . . 29 Keller Heiko . . 30 Knezic Bozana . . 31 Landgraf Tom . . 32 Lohr Frank . . 33 Luo Luke . . 34 Mertinkus Klara R. . 35 Muhs Christina . . 36 Novakovic Mihajlo . . 37 Oxenfarth Andreas . . 38 Palomino-Schatzlein Martina . . 39 Petzold Katja . . 40 Peter Stephen A. . 41 Pyper Dennis J. . 42 Qureshi Nusrat S. . 43 Riad Magdalena . . 44 Richter Christian . . 45 Saxena Krishna . . 46 Schamber Tatjana . . 47 Scherf Tali . . 48 Schlagnitweit Judith . . 49 Schlundt Andreas . . 50 Schnieders Robbin . . 51 Schwalbe Harald . . 52 Simba-Lahuasi Alvaro . . 53 Sreeramulu Sridhar . . 54 Stirnal Elke . . 55 Sudakov Alexey . . 56 Tants Jan-Niklas . . 57 Tolbert Blanton S. . 58 Vogele Jenny . . 59 Weiss Lena . . 60 Wirmer-Bartoschek Julia . . 61 'Wirtz Martin' Maria A. . 62 Wohnert Jens . . 63 Zetzsche Heidi . . stop_ _Journal_abbreviation 'Nucleic Acids Res.' _Journal_name_full 'Nucleic acids research' _Journal_volume 48 _Journal_issue 22 _Journal_ISSN 1362-4962 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 12415 _Page_last 12435 _Year 2020 _Details . save_ ################################## # Molecular system description # ################################## save_assembly_1 _Saveframe_category molecular_system _Mol_system_name 5_SL4 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 5_SL4 $entity_1 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_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common entity_1 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 44 _Mol_residue_sequence ; GGGUGUGGCUGUCACUCGGC UGCAUGCUUAGUGCACUCAC GCCC ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -2 G 2 -1 G 3 86 G 4 87 U 5 88 G 6 89 U 7 90 G 8 91 G 9 92 C 10 93 U 11 94 G 12 95 U 13 96 C 14 97 A 15 98 C 16 99 U 17 100 C 18 101 G 19 102 G 20 103 C 21 104 U 22 105 G 23 106 C 24 107 A 25 108 U 26 109 G 27 110 C 28 111 U 29 112 U 30 113 A 31 114 G 32 115 U 33 116 G 34 117 C 35 118 A 36 119 C 37 120 U 38 121 C 39 122 A 40 123 C 41 124 G 42 125 C 43 1 C 44 2 C stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source_1 _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $entity_1 SARS-CoV-2 2697049 Viruses . Betacoronavirus HCoV-SARS SARS-CoV-2 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'reverse transcriptase' . . . . . 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 _Isotopic_labeling $entity_1 150 uM [U-15N] stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 550 uM [U-15N] 'potassium phosphate' 25 mM 'natural abundance' KCl 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name LOGS _Version 2.2 loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CARA _Version 1.9.1.7 loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name TOPSPIN _Version 3.6.2 loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Bruker Avance III HD 600 MHz' _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Bruker Avance III 800 MHz' _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_HSQC[15N]-2J_1 _Saveframe_category NMR_applied_experiment _Experiment_name HSQC[15N]-2J _Sample_label $sample_1 save_ save_NOESY[15N]-Imino_2 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY[15N]-Imino _Sample_label $sample_2 save_ save_HNN-COSY[15N]_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNN-COSY[15N] _Sample_label $sample_2 save_ save_HSQC[15N]_4 _Saveframe_category NMR_applied_experiment _Experiment_name HSQC[15N] _Sample_label $sample_2 save_ save_HSQC[15N]-Amino_5 _Saveframe_category NMR_applied_experiment _Experiment_name HSQC[15N]-Amino _Sample_label $sample_2 save_ save_NOESY[15N]-Imino_6 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY[15N]-Imino _Sample_label $sample_2 save_ save_NOESY[15N]CPMG_7 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY[15N]CPMG _Sample_label $sample_2 save_ save_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY _Sample_label $sample_2 save_ save_TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY _Sample_label $sample_2 save_ save_sfHMQC[13C]_10 _Saveframe_category NMR_applied_experiment _Experiment_name sfHMQC[13C] _Sample_label $sample_2 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' 0 . mM pH 7 . pH pressure 1 . atm temperature 283 . 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' 75 . mM pH 6.2 . pH pressure 1 . atm temperature 283 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_2 stop_ loop_ _Experiment_label HSQC[15N]-2J NOESY[15N]-Imino HNN-COSY[15N] HSQC[15N] HSQC[15N]-Amino NOESY[15N]CPMG NOESY TOCSY sfHMQC[13C] stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_2 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name 5_SL4 _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 -2 1 G H1 H 12.916 0.02 1 2 -2 1 G H8 H 7.554 0.02 1 3 -2 1 G C8 C 137.979 0.3 1 4 -2 1 G N1 N 147.702 0.3 1 5 -2 1 G N3 N 161.635 0.3 1 6 -2 1 G N7 N 233.706 0.3 1 7 -2 1 G N9 N 169.592 0.3 1 8 -1 2 G H1 H 12.821 0.02 1 9 -1 2 G H8 H 8.152 0.02 1 10 -1 2 G C8 C 140.35 0.3 1 11 -1 2 G N1 N 147.259 0.3 1 12 -1 2 G N3 N 162.093 0.3 1 13 -1 2 G N7 N 231.533 0.3 1 14 -1 2 G N9 N 168.777 0.3 1 15 86 3 G H1 H 13.429 0.02 1 16 86 3 G H8 H 7.18 0.02 1 17 86 3 G H21 H 6.166 0.02 1 18 86 3 G H22 H 8.611 0.02 1 19 86 3 G C8 C 137.08 0.3 1 20 86 3 G N1 N 148.687 0.3 1 21 86 3 G N2 N 75.376 0.3 1 22 86 3 G N3 N 162.523 0.3 1 23 86 3 G N7 N 235.383 0.3 1 24 86 3 G N9 N 169.722 0.3 1 25 87 4 U H1' H 5.55 0.02 1 26 87 4 U H3 H 11.807 0.02 1 27 87 4 U H5 H 5.411 0.02 1 28 87 4 U H6 H 7.637 0.02 1 29 87 4 U C5 C 103.261 0.3 1 30 87 4 U C6 C 141.745 0.3 1 31 87 4 U N1 N 145.051 0.3 1 32 87 4 U N3 N 159.043 0.3 1 33 88 5 G H1 H 12.871 0.02 1 34 88 5 G H8 H 7.875 0.02 1 35 88 5 G H21 H 5.988 0.02 1 36 88 5 G H22 H 8.096 0.02 1 37 88 5 G C8 C 138.674 0.3 1 38 88 5 G N1 N 147.722 0.3 1 39 88 5 G N2 N 74.609 0.3 1 40 88 5 G N3 N 162.952 0.3 1 41 88 5 G N7 N 234.904 0.3 1 42 88 5 G N9 N 169.292 0.3 1 43 89 6 U H1' H 5.511 0.02 1 44 89 6 U H3 H 13.584 0.02 1 45 89 6 U H5 H 5.109 0.02 1 46 89 6 U H6 H 7.764 0.02 1 47 89 6 U C5 C 103.028 0.3 1 48 89 6 U C6 C 142.646 0.3 1 49 89 6 U N1 N 145.664 0.3 1 50 89 6 U N3 N 161.827 0.3 1 51 90 7 G H1 H 12.059 0.02 1 52 90 7 G H8 H 7.704 0.02 1 53 90 7 G H21 H 5.774 0.02 1 54 90 7 G H22 H 7.624 0.02 1 55 90 7 G C8 C 137.474 0.3 1 56 90 7 G N1 N 146.967 0.3 1 57 90 7 G N2 N 74.046 0.3 1 58 90 7 G N3 N 161.417 0.3 1 59 90 7 G N7 N 233.62 0.3 1 60 90 7 G N9 N 169.795 0.3 1 61 91 8 G H1 H 11.386 0.02 1 62 91 8 G H8 H 7.154 0.02 1 63 91 8 G H21 H 6.229 0.02 1 64 91 8 G H22 H 6.229 0.02 1 65 91 8 G C8 C 138.391 0.3 1 66 91 8 G N1 N 145.369 0.3 1 67 91 8 G N2 N 72.716 0.3 1 68 91 8 G N7 N 234.955 0.3 1 69 91 8 G N9 N 169.47 0.3 1 70 92 9 C H1' H 5.548 0.02 1 71 92 9 C H5 H 5.278 0.02 1 72 92 9 C H6 H 7.264 0.02 1 73 92 9 C C5 C 97.398 0.3 1 74 92 9 C C6 C 142.854 0.3 1 75 93 10 U H1' H 5.644 0.02 1 76 93 10 U H3 H 14.09 0.02 1 77 93 10 U H5 H 5.629 0.02 1 78 93 10 U H6 H 7.857 0.02 1 79 93 10 U C5 C 104.89 0.3 1 80 93 10 U C6 C 142.586 0.3 1 81 93 10 U N3 N 163.137 0.3 1 82 94 11 G H1 H 12.238 0.02 1 83 94 11 G H8 H 7.809 0.02 1 84 94 11 G C8 C 138.77 0.3 1 85 94 11 G N1 N 147.592 0.3 1 86 94 11 G N3 N 162.155 0.3 1 87 94 11 G N7 N 237.591 0.3 1 88 94 11 G N9 N 168.206 0.3 1 89 95 12 U H1' H 6.01 0.02 1 90 95 12 U H5 H 5.886 0.02 1 91 95 12 U H6 H 7.886 0.02 1 92 95 12 U C5 C 105.325 0.3 1 93 95 12 U C6 C 145.201 0.3 1 94 96 13 C H1' H 5.547 0.02 1 95 96 13 C H5 H 5.504 0.02 1 96 96 13 C H6 H 7.724 0.02 1 97 96 13 C H41 H 6.643 0.02 1 98 96 13 C H42 H 8.105 0.02 1 99 96 13 C C5 C 98.208 0.3 1 100 96 13 C C6 C 143.863 0.3 1 101 96 13 C N4 N 94.966 0.3 1 102 97 14 A H1' H 5.946 0.02 1 103 97 14 A H2 H 7.415 0.02 1 104 97 14 A H8 H 8.18 0.02 1 105 97 14 A H61 H 6.4 0.02 1 106 97 14 A H62 H 7.635 0.02 1 107 97 14 A C2 C 154.586 0.3 1 108 97 14 A C8 C 141.375 0.3 1 109 97 14 A N1 N 221.374 0.3 1 110 97 14 A N3 N 212.899 0.3 1 111 97 14 A N6 N 82.921 0.3 1 112 97 14 A N7 N 229.485 0.3 1 113 97 14 A N9 N 170.152 0.3 1 114 98 15 C H1' H 5.421 0.02 1 115 98 15 C H5 H 5.12 0.02 1 116 98 15 C H6 H 7.556 0.02 1 117 98 15 C H41 H 6.981 0.02 1 118 98 15 C H42 H 8.28 0.02 1 119 98 15 C C5 C 96.683 0.3 1 120 98 15 C C6 C 142.341 0.3 1 121 98 15 C N4 N 98.423 0.3 1 122 99 16 U H1' H 5.544 0.02 1 123 99 16 U H3 H 13.603 0.02 1 124 99 16 U H5 H 5.294 0.02 1 125 99 16 U H6 H 7.866 0.02 1 126 99 16 U C5 C 103.208 0.3 1 127 99 16 U C6 C 143.698 0.3 1 128 99 16 U N3 N 161.681 0.3 1 129 100 17 C H1' H 5.807 0.02 1 130 100 17 C H5 H 5.589 0.02 1 131 100 17 C H6 H 7.825 0.02 1 132 100 17 C C5 C 97.644 0.3 1 133 100 17 C C6 C 143.189 0.3 1 134 101 18 G H1 H 10.65 0.02 1 135 101 18 G H8 H 7.456 0.02 1 136 101 18 G H21 H 6.177 0.02 1 137 101 18 G H22 H 6.177 0.02 1 138 101 18 G C8 C 138.417 0.3 1 139 101 18 G N1 N 143.579 0.3 1 140 101 18 G N2 N 72.125 0.3 1 141 101 18 G N3 N 165.739 0.3 1 142 101 18 G N7 N 233.768 0.3 1 143 101 18 G N9 N 169.991 0.3 1 144 102 19 G H1 H 13.438 0.02 1 145 102 19 G H8 H 7.21 0.02 1 146 102 19 G H21 H 6.658 0.02 1 147 102 19 G H22 H 8.963 0.02 1 148 102 19 G C8 C 137.442 0.3 1 149 102 19 G N1 N 148.599 0.3 1 150 102 19 G N2 N 76.352 0.3 1 151 102 19 G N3 N 160.862 0.3 1 152 102 19 G N7 N 233.535 0.3 1 153 102 19 G N9 N 169.415 0.3 1 154 103 20 C H1' H 5.545 0.02 1 155 103 20 C H5 H 5.163 0.02 1 156 103 20 C H6 H 7.465 0.02 1 157 103 20 C H41 H 7.116 0.02 1 158 103 20 C H42 H 8.52 0.02 1 159 103 20 C C5 C 97.404 0.3 1 160 103 20 C C6 C 142.148 0.3 1 161 103 20 C N4 N 98.94 0.3 1 162 104 21 U H1' H 5.677 0.02 1 163 104 21 U H5 H 5.454 0.02 1 164 104 21 U H6 H 7.659 0.02 1 165 104 21 U C5 C 104.709 0.3 1 166 104 21 U C6 C 142.747 0.3 1 167 105 22 G H8 H 7.95 0.02 1 168 105 22 G C8 C 141.306 0.3 1 169 105 22 G N7 N 236.598 0.3 1 170 105 22 G N9 N 166.064 0.3 1 171 106 23 C H5 H 5.708 0.02 1 172 106 23 C H6 H 7.514 0.02 1 173 106 23 C H41 H 6.68 0.02 1 174 106 23 C H42 H 7.201 0.02 1 175 106 23 C C5 C 98.816 0.3 1 176 106 23 C C6 C 143.057 0.3 1 177 106 23 C N4 N 95.142 0.3 1 178 107 24 A H1' H 6.062 0.02 1 179 107 24 A H2 H 8.058 0.02 1 180 107 24 A H8 H 8.24 0.02 1 181 107 24 A H61 H 6.782 0.02 1 182 107 24 A H62 H 6.782 0.02 1 183 107 24 A C2 C 156.182 0.3 1 184 107 24 A C8 C 143.37 0.3 1 185 107 24 A N1 N 223.024 0.3 1 186 107 24 A N3 N 216.742 0.3 1 187 107 24 A N6 N 80.183 0.3 1 188 107 24 A N7 N 232.046 0.3 1 189 107 24 A N9 N 169.781 0.3 1 190 108 25 U H5 H 5.899 0.02 1 191 108 25 U H6 H 7.869 0.02 1 192 108 25 U C5 C 105.267 0.3 1 193 108 25 U C6 C 145.476 0.3 1 194 109 26 G H1 H 13.207 0.02 1 195 109 26 G H8 H 7.442 0.02 1 196 109 26 G H21 H 6.07 0.02 1 197 109 26 G H22 H 6.07 0.02 1 198 109 26 G C8 C 138.368 0.3 1 199 109 26 G N1 N 148.588 0.3 1 200 109 26 G N7 N 233.381 0.3 1 201 109 26 G N9 N 168.847 0.3 1 202 110 27 C H1' H 5.561 0.02 1 203 110 27 C H5 H 5.193 0.02 1 204 110 27 C H6 H 7.565 0.02 1 205 110 27 C H41 H 6.985 0.02 1 206 110 27 C H42 H 8.584 0.02 1 207 110 27 C C5 C 97.18 0.3 1 208 110 27 C C6 C 142.224 0.3 1 209 110 27 C N4 N 98.869 0.3 1 210 111 28 U H1' H 5.687 0.02 1 211 111 28 U H3 H 11.962 0.02 1 212 111 28 U H5 H 5.655 0.02 1 213 111 28 U H6 H 7.726 0.02 1 214 111 28 U C5 C 104.983 0.3 1 215 111 28 U C6 C 142.438 0.3 1 216 111 28 U N1 N 146.499 0.3 1 217 111 28 U N3 N 158.402 0.3 1 218 112 29 U H1' H 5.451 0.02 1 219 112 29 U H5 H 5.401 0.02 1 220 112 29 U H6 H 7.993 0.02 1 221 112 29 U C5 C 104.297 0.3 1 222 112 29 U C6 C 143.754 0.3 1 223 113 30 A H1' H 5.901 0.02 1 224 113 30 A H2 H 7.306 0.02 1 225 113 30 A H8 H 8.048 0.02 1 226 113 30 A H61 H 6.395 0.02 1 227 113 30 A H62 H 7.909 0.02 1 228 113 30 A C2 C 154.544 0.3 1 229 113 30 A C8 C 140.551 0.3 1 230 113 30 A N1 N 221.429 0.3 1 231 113 30 A N3 N 212.596 0.3 1 232 113 30 A N6 N 82.141 0.3 1 233 113 30 A N7 N 230.745 0.3 1 234 113 30 A N9 N 170.476 0.3 1 235 114 31 G H1 H 13.494 0.02 1 236 114 31 G H8 H 7.281 0.02 1 237 114 31 G H21 H 6.221 0.02 1 238 114 31 G H22 H 8.469 0.02 1 239 114 31 G C8 C 137.16 0.3 1 240 114 31 G N1 N 148.137 0.3 1 241 114 31 G N2 N 74.977 0.3 1 242 114 31 G N7 N 234.476 0.3 1 243 114 31 G N9 N 169.601 0.3 1 244 115 32 U H1' H 5.471 0.02 1 245 115 32 U H3 H 13.795 0.02 1 246 115 32 U H5 H 5.034 0.02 1 247 115 32 U H6 H 7.599 0.02 1 248 115 32 U C5 C 103.154 0.3 1 249 115 32 U C6 C 141.945 0.3 1 250 115 32 U N1 N 145.256 0.3 1 251 115 32 U N3 N 162.527 0.3 1 252 116 33 G H1 H 12.467 0.02 1 253 116 33 G H8 H 7.548 0.02 1 254 116 33 G C8 C 136.862 0.3 1 255 116 33 G N1 N 147.612 0.3 1 256 116 33 G N7 N 235.422 0.3 1 257 116 33 G N9 N 169.068 0.3 1 258 117 34 C H5 H 5.284 0.02 1 259 117 34 C H6 H 7.614 0.02 1 260 117 34 C H41 H 6.757 0.02 1 261 117 34 C H42 H 8.351 0.02 1 262 117 34 C C5 C 96.997 0.3 1 263 117 34 C C6 C 141.82 0.3 1 264 117 34 C N4 N 98.771 0.3 1 265 118 35 A H1' H 5.813 0.02 1 266 118 35 A H2 H 7.324 0.02 1 267 118 35 A H8 H 7.879 0.02 1 268 118 35 A H61 H 6.38 0.02 1 269 118 35 A H62 H 7.86 0.02 1 270 118 35 A C2 C 154.065 0.3 1 271 118 35 A C8 C 140.291 0.3 1 272 118 35 A N1 N 222.227 0.3 1 273 118 35 A N3 N 214.153 0.3 1 274 118 35 A N6 N 82.212 0.3 1 275 118 35 A N7 N 231.019 0.3 1 276 118 35 A N9 N 170.638 0.3 1 277 119 36 C H1' H 5.187 0.02 1 278 119 36 C H5 H 5.126 0.02 1 279 119 36 C H6 H 7.288 0.02 1 280 119 36 C H41 H 6.889 0.02 1 281 119 36 C H42 H 6.889 0.02 1 282 119 36 C C5 C 97.064 0.3 1 283 119 36 C C6 C 141.557 0.3 1 284 119 36 C N4 N 95.397 0.3 1 285 120 37 U H1' H 5.844 0.02 1 286 120 37 U H5 H 5.606 0.02 1 287 120 37 U H6 H 7.891 0.02 1 288 120 37 U C5 C 104.025 0.3 1 289 120 37 U C6 C 143.04 0.3 1 290 121 38 C H1' H 5.548 0.02 1 291 121 38 C H5 H 5.746 0.02 1 292 121 38 C H6 H 7.908 0.02 1 293 121 38 C H41 H 7.019 0.02 1 294 121 38 C H42 H 8.529 0.02 1 295 121 38 C C5 C 98.266 0.3 1 296 121 38 C C6 C 143.751 0.3 1 297 121 38 C N4 N 97.526 0.3 1 298 122 39 A H1' H 5.909 0.02 1 299 122 39 A H2 H 7.388 0.02 1 300 122 39 A H8 H 8.142 0.02 1 301 122 39 A H61 H 6.428 0.02 1 302 122 39 A H62 H 8.106 0.02 1 303 122 39 A C2 C 154.501 0.3 1 304 122 39 A C8 C 141.012 0.3 1 305 122 39 A N1 N 221.558 0.3 1 306 122 39 A N3 N 212.557 0.3 1 307 122 39 A N6 N 84.314 0.3 1 308 122 39 A N7 N 229.737 0.3 1 309 122 39 A N9 N 170.758 0.3 1 310 123 40 C H1' H 5.509 0.02 1 311 123 40 C H5 H 5.222 0.02 1 312 123 40 C H6 H 7.571 0.02 1 313 123 40 C H41 H 6.958 0.02 1 314 123 40 C H42 H 8.443 0.02 1 315 123 40 C C5 C 97.393 0.3 1 316 123 40 C C6 C 142.495 0.3 1 317 123 40 C N4 N 97.971 0.3 1 318 124 41 G H1 H 11.07 0.02 1 319 124 41 G H8 H 7.532 0.02 1 320 124 41 G H21 H 6.377 0.02 1 321 124 41 G H22 H 6.377 0.02 1 322 124 41 G C8 C 138.319 0.3 1 323 124 41 G N1 N 144.828 0.3 1 324 124 41 G N2 N 73.903 0.3 1 325 124 41 G N3 N 165.618 0.3 1 326 124 41 G N7 N 234.271 0.3 1 327 124 41 G N9 N 169.158 0.3 1 328 125 42 C H1' H 5.507 0.02 1 329 125 42 C H5 H 5.296 0.02 1 330 125 42 C H6 H 7.766 0.02 1 331 125 42 C H41 H 7.042 0.02 1 332 125 42 C H42 H 8.441 0.02 1 333 125 42 C C5 C 97.008 0.3 1 334 125 42 C C6 C 142.369 0.3 1 335 125 42 C N4 N 99.803 0.3 1 336 1 43 C H1' H 5.522 0.02 1 337 1 43 C H5 H 5.455 0.02 1 338 1 43 C H6 H 7.797 0.02 1 339 1 43 C H41 H 6.98 0.02 1 340 1 43 C H42 H 8.52 0.02 1 341 1 43 C C5 C 97.612 0.3 1 342 1 43 C C6 C 142.892 0.3 1 343 1 43 C N4 N 98.678 0.3 1 344 2 44 C H1' H 6.117 0.02 1 345 2 44 C H5 H 5.532 0.02 1 346 2 44 C H6 H 7.509 0.02 1 347 2 44 C H41 H 7.191 0.02 1 348 2 44 C H42 H 8.522 0.02 1 349 2 44 C C5 C 99.129 0.3 1 350 2 44 C C6 C 144.73 0.3 1 351 2 44 C N4 N 99.166 0.3 1 stop_ save_