data_50346 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Assignment of base 15N and 1H chemical shifts for 5_SL5a ; _BMRB_accession_number 50346 _BMRB_flat_file_name bmr50346.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 . . 3 Schnieders Robbin . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 179 "13C chemical shifts" 261 "15N chemical shifts" 100 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-12-18 update BMRB 'update entry citation' 2020-12-10 update author 'update assignments' 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' 50347 'chemical shifts of the 5_SL4' 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 2020-06-23 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_SL5A _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 5_SL5A $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 33 _Mol_residue_sequence ; GGGCUGCUUACGGUUUCGUC CGUGUUGCAGCCC ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -1 G 2 188 G 3 189 G 4 190 C 5 191 U 6 192 G 7 193 C 8 194 U 9 195 U 10 196 A 11 197 C 12 198 G 13 199 G 14 200 U 15 201 U 16 202 U 17 203 C 18 204 G 19 205 U 20 206 C 21 207 C 22 208 G 23 209 U 24 210 G 25 211 U 26 212 U 27 213 G 28 214 C 29 215 A 30 216 G 31 217 C 32 218 C 33 1 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 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 _Isotopic_labeling $entity_1 807 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 SPARKY _Version 3.114 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 AVIII _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_NOESY-JR[15N]-Amino_1 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY-JR[15N]-Amino _Sample_label $sample_1 save_ save_HSQC[15N]_2 _Saveframe_category NMR_applied_experiment _Experiment_name HSQC[15N] _Sample_label $sample_1 save_ save_HSQC[15N]-2J_3 _Saveframe_category NMR_applied_experiment _Experiment_name HSQC[15N]-2J _Sample_label $sample_1 save_ save_HSQC[15N]-2J_4 _Saveframe_category NMR_applied_experiment _Experiment_name HSQC[15N]-2J _Sample_label $sample_1 save_ save_TROSY[15N]_5 _Saveframe_category NMR_applied_experiment _Experiment_name TROSY[15N] _Sample_label $sample_1 save_ save_HNN-COSY[15N]_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNN-COSY[15N] _Sample_label $sample_1 save_ save_HSQC[15N]-Amino_7 _Saveframe_category NMR_applied_experiment _Experiment_name HSQC[15N]-Amino _Sample_label $sample_1 save_ save_TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY _Sample_label $sample_1 save_ save_HNN-COSY[15N]_9 _Saveframe_category NMR_applied_experiment _Experiment_name HNN-COSY[15N] _Sample_label $sample_1 save_ save_2D_HSQC_HC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HSQC HC' _Sample_label $sample_1 save_ save_NOESY[15N]-Imino_11 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY[15N]-Imino _Sample_label $sample_1 save_ save_NOESY-JR[15N]-Amino_12 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY-JR[15N]-Amino _Sample_label $sample_1 save_ save_HSQC[15N]_13 _Saveframe_category NMR_applied_experiment _Experiment_name HSQC[15N] _Sample_label $sample_1 save_ save_HSQC[15N]-2J_14 _Saveframe_category NMR_applied_experiment _Experiment_name HSQC[15N]-2J _Sample_label $sample_1 save_ save_HSQC[15N]-2J_15 _Saveframe_category NMR_applied_experiment _Experiment_name HSQC[15N]-2J _Sample_label $sample_1 save_ save_TROSY[15N]_16 _Saveframe_category NMR_applied_experiment _Experiment_name TROSY[15N] _Sample_label $sample_1 save_ save_HNN-COSY[15N]_17 _Saveframe_category NMR_applied_experiment _Experiment_name HNN-COSY[15N] _Sample_label $sample_1 save_ save_HSQC[15N]-Amino_18 _Saveframe_category NMR_applied_experiment _Experiment_name HSQC[15N]-Amino _Sample_label $sample_1 save_ save_TOCSY_19 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY _Sample_label $sample_1 save_ save_HNN-COSY[15N]_20 _Saveframe_category NMR_applied_experiment _Experiment_name HNN-COSY[15N] _Sample_label $sample_1 save_ save_2D_HSQC_HC_21 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HSQC HC' _Sample_label $sample_1 save_ save_NOESY[15N]-Imino_22 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY[15N]-Imino _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 'ionic strength' 75 . mM pH 6.2 . pH pressure 1 . atm temperature 298 . 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 NOESY-JR[15N]-Amino HSQC[15N] HSQC[15N]-2J TROSY[15N] HNN-COSY[15N] HSQC[15N]-Amino TOCSY '2D HSQC HC' NOESY[15N]-Imino stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name 5_SL5A _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 5.833 0.001 . 2 -1 1 G H8 H 8.144 0.004 . 3 -1 1 G C8 C 139.095 0.000 . 4 -1 1 G N7 N 232.177 0.000 . 5 -1 1 G N9 N 169.075 0.000 . 6 188 2 G H1 H 12.853 0.001 . 7 188 2 G H1' H 5.935 0.004 . 8 188 2 G H8 H 7.556 0.003 . 9 188 2 G C1' C 92.817 0.033 . 10 188 2 G C2' C 75.322 0.000 . 11 188 2 G C3' C 72.820 0.000 . 12 188 2 G C4' C 82.158 0.000 . 13 188 2 G C5' C 66.175 0.000 . 14 188 2 G C8 C 136.787 0.018 . 15 188 2 G N1 N 147.864 0.000 . 16 188 2 G N7 N 234.072 0.000 . 17 188 2 G N9 N 169.815 0.046 . 18 189 3 G H1 H 13.277 0.004 . 19 189 3 G H1' H 5.796 0.004 . 20 189 3 G H8 H 7.255 0.006 . 21 189 3 G C1' C 93.119 0.048 . 22 189 3 G C2' C 75.286 0.000 . 23 189 3 G C3' C 72.753 0.000 . 24 189 3 G C4 C 151.768 0.000 . 25 189 3 G C4' C 81.984 0.000 . 26 189 3 G C5 C 119.292 0.000 . 27 189 3 G C5' C 65.505 0.000 . 28 189 3 G C6 C 161.766 0.000 . 29 189 3 G C8 C 135.973 0.053 . 30 189 3 G N1 N 148.994 0.000 . 31 189 3 G N7 N 234.246 0.000 . 32 189 3 G N9 N 169.310 0.055 . 33 190 4 C H1' H 5.534 0.002 . 34 190 4 C H5 H 5.235 0.002 . 35 190 4 C H6 H 7.585 0.003 . 36 190 4 C H41 H 8.612 0.002 . 37 190 4 C H42 H 6.929 0.003 . 38 190 4 C C1' C 94.074 0.025 . 39 190 4 C C2' C 75.462 0.000 . 40 190 4 C C3' C 72.198 0.000 . 41 190 4 C C4' C 81.823 0.000 . 42 190 4 C C5' C 64.628 0.000 . 43 190 4 C C6 C 140.970 0.030 . 44 190 4 C N1 N 151.070 0.000 . 45 190 4 C N3 N 197.760 0.000 . 46 190 4 C N4 N 98.617 0.013 . 47 191 5 U H1' H 5.547 0.003 . 48 191 5 U H3 H 13.495 0.004 . 49 191 5 U H5 H 5.447 0.004 . 50 191 5 U H6 H 7.819 0.002 . 51 191 5 U C1' C 93.735 0.034 . 52 191 5 U C2' C 75.180 0.000 . 53 191 5 U C3' C 72.398 0.000 . 54 191 5 U C4' C 81.838 0.000 . 55 191 5 U C5 C 103.953 0.000 . 56 191 5 U C5' C 64.848 0.000 . 57 191 5 U C6 C 141.589 0.017 . 58 191 5 U N1 N 145.866 0.004 . 59 191 5 U N3 N 162.202 0.000 . 60 192 6 G H1 H 12.515 0.002 . 61 192 6 G H1' H 5.808 0.004 . 62 192 6 G H8 H 7.780 0.004 . 63 192 6 G C1' C 92.465 0.048 . 64 192 6 G C2' C 75.536 0.000 . 65 192 6 G C3' C 72.542 0.000 . 66 192 6 G C4 C 151.847 0.000 . 67 192 6 G C4' C 81.780 0.000 . 68 192 6 G C5 C 118.725 0.000 . 69 192 6 G C5' C 65.179 0.000 . 70 192 6 G C6 C 161.308 0.000 . 71 192 6 G C8 C 136.436 0.031 . 72 192 6 G N1 N 147.655 0.000 . 73 192 6 G N7 N 234.849 0.000 . 74 192 6 G N9 N 170.051 0.057 . 75 193 7 C H1' H 5.451 0.002 . 76 193 7 C H5 H 5.227 0.003 . 77 193 7 C H6 H 7.446 0.002 . 78 193 7 C H41 H 8.250 0.003 . 79 193 7 C H42 H 6.908 0.006 . 80 193 7 C C1' C 93.790 0.013 . 81 193 7 C C2' C 75.655 0.000 . 82 193 7 C C3' C 72.221 0.000 . 83 193 7 C C4' C 81.852 0.000 . 84 193 7 C C5' C 64.892 0.000 . 85 193 7 C C6 C 140.505 0.015 . 86 193 7 C N1 N 151.335 0.005 . 87 193 7 C N3 N 196.527 0.000 . 88 193 7 C N4 N 98.779 0.006 . 89 194 8 U H1' H 5.623 0.001 . 90 194 8 U H3 H 11.253 0.003 . 91 194 8 U H4' H 4.366 0.000 . 92 194 8 U H5 H 5.586 0.004 . 93 194 8 U H6 H 7.735 0.002 . 94 194 8 U C1' C 94.052 0.041 . 95 194 8 U C2' C 75.686 0.000 . 96 194 8 U C3' C 72.216 0.000 . 97 194 8 U C4' C 82.605 0.054 . 98 194 8 U C5 C 104.722 0.000 . 99 194 8 U C5' C 64.533 0.000 . 100 194 8 U C6 C 141.057 0.028 . 101 194 8 U N1 N 146.206 0.021 . 102 195 9 U H1' H 5.609 0.008 . 103 195 9 U H4' H 4.422 0.001 . 104 195 9 U H5 H 5.608 0.006 . 105 195 9 U H5'' H 4.099 0.000 . 106 195 9 U H6 H 7.799 0.002 . 107 195 9 U C1' C 91.996 0.036 . 108 195 9 U C4' C 83.686 0.019 . 109 195 9 U C5 C 104.667 0.000 . 110 195 9 U C5' C 65.881 0.000 . 111 195 9 U C6 C 142.696 0.017 . 112 195 9 U N1 N 145.555 0.052 . 113 196 10 A H1' H 5.969 0.004 . 114 196 10 A H2 H 7.683 0.002 . 115 196 10 A H8 H 8.388 0.004 . 116 196 10 A C1' C 92.052 0.059 . 117 196 10 A C2 C 153.709 0.017 . 118 196 10 A C4 C 149.929 0.008 . 119 196 10 A C5 C 121.302 0.005 . 120 196 10 A C5' C 65.931 0.000 . 121 196 10 A C6 C 158.159 0.026 . 122 196 10 A C8 C 141.107 0.039 . 123 196 10 A N1 N 223.024 0.002 . 124 196 10 A N3 N 213.817 0.000 . 125 196 10 A N7 N 230.371 0.000 . 126 196 10 A N9 N 170.262 0.000 . 127 197 11 C H1' H 5.509 0.002 . 128 197 11 C H5 H 5.195 0.002 . 129 197 11 C H6 H 7.507 0.005 . 130 197 11 C H41 H 8.217 0.003 . 131 197 11 C H42 H 6.729 0.003 . 132 197 11 C C1' C 93.638 0.042 . 133 197 11 C C2' C 75.514 0.000 . 134 197 11 C C3' C 72.578 0.000 . 135 197 11 C C4' C 81.926 0.000 . 136 197 11 C C5' C 65.491 0.000 . 137 197 11 C C6 C 140.745 0.019 . 138 197 11 C N1 N 150.741 0.018 . 139 197 11 C N3 N 197.342 0.000 . 140 197 11 C N4 N 97.549 0.001 . 141 198 12 G H1 H 12.562 0.003 . 142 198 12 G H1' H 5.724 0.001 . 143 198 12 G H8 H 7.501 0.003 . 144 198 12 G C1' C 92.897 0.018 . 145 198 12 G C2' C 75.129 0.000 . 146 198 12 G C3' C 72.857 0.000 . 147 198 12 G C4' C 81.896 0.000 . 148 198 12 G C5' C 66.068 0.000 . 149 198 12 G C8 C 136.209 0.033 . 150 198 12 G N1 N 147.041 0.000 . 151 198 12 G N7 N 234.790 0.000 . 152 198 12 G N9 N 169.221 0.000 . 153 199 13 G H1 H 13.362 0.004 . 154 199 13 G H1' H 5.741 0.001 . 155 199 13 G H8 H 7.240 0.003 . 156 199 13 G C1' C 93.298 0.018 . 157 199 13 G C2' C 75.581 0.000 . 158 199 13 G C3' C 72.586 0.000 . 159 199 13 G C4 C 151.987 0.000 . 160 199 13 G C4' C 82.101 0.000 . 161 199 13 G C5 C 119.161 0.000 . 162 199 13 G C5' C 65.045 0.000 . 163 199 13 G C6 C 161.922 0.000 . 164 199 13 G C8 C 136.317 0.029 . 165 199 13 G N1 N 148.778 0.000 . 166 199 13 G N7 N 235.371 0.000 . 167 199 13 G N9 N 169.575 0.052 . 168 200 14 U H5 H 5.188 0.005 . 169 200 14 U H6 H 7.525 0.003 . 170 200 14 U C5 C 104.614 0.000 . 171 200 14 U C6 C 142.032 0.000 . 172 200 14 U N1 N 143.955 0.000 . 173 201 15 U H5 H 5.814 0.002 . 174 201 15 U H6 H 7.911 0.002 . 175 201 15 U C1' C 91.936 0.004 . 176 201 15 U C5 C 105.062 0.000 . 177 201 15 U C6 C 143.445 0.022 . 178 201 15 U N1 N 145.080 0.046 . 179 202 16 U H1' H 6.034 0.003 . 180 202 16 U H3' H 4.303 0.001 . 181 202 16 U H4' H 4.384 0.001 . 182 202 16 U H5 H 6.033 0.002 . 183 202 16 U H5' H 4.157 0.001 . 184 202 16 U H5'' H 4.034 0.000 . 185 202 16 U H6 H 7.855 0.003 . 186 202 16 U C1' C 89.193 0.026 . 187 202 16 U C2' C 74.964 0.000 . 188 202 16 U C3' C 77.451 0.024 . 189 202 16 U C4' C 86.579 0.048 . 190 202 16 U C5 C 105.749 0.000 . 191 202 16 U C5' C 67.986 0.009 . 192 202 16 U C6 C 144.348 0.006 . 193 202 16 U N1 N 143.188 0.000 . 194 203 17 C H1' H 5.854 0.003 . 195 203 17 C H2' H 4.052 0.001 . 196 203 17 C H3' H 4.476 0.000 . 197 203 17 C H4' H 3.693 0.000 . 198 203 17 C H5 H 5.927 0.006 . 199 203 17 C H5' H 3.694 0.000 . 200 203 17 C H5'' H 3.221 0.000 . 201 203 17 C H6 H 7.572 0.003 . 202 203 17 C H41 H 7.083 0.001 . 203 203 17 C H42 H 6.605 0.000 . 204 203 17 C C1' C 89.608 0.030 . 205 203 17 C C2' C 77.642 0.013 . 206 203 17 C C3' C 78.948 0.042 . 207 203 17 C C4' C 84.971 0.015 . 208 203 17 C C5 C 98.590 0.000 . 209 203 17 C C5' C 67.812 0.007 . 210 203 17 C C6 C 143.051 0.064 . 211 203 17 C N1 N 150.748 0.000 . 212 203 17 C N4 N 94.546 0.009 . 213 204 18 G H1' H 5.922 0.001 . 214 204 18 G H2' H 5.176 0.000 . 215 204 18 G H4' H 4.431 0.000 . 216 204 18 G H5' H 4.225 0.001 . 217 204 18 G H5'' H 4.184 0.001 . 218 204 18 G H8 H 7.878 0.004 . 219 204 18 G C1' C 92.384 0.066 . 220 204 18 G C2' C 76.853 0.018 . 221 204 18 G C3' C 75.251 0.000 . 222 204 18 G C4 C 153.927 0.000 . 223 204 18 G C4' C 84.824 0.020 . 224 204 18 G C5' C 68.769 0.006 . 225 204 18 G C8 C 141.906 0.030 . 226 204 18 G N7 N 234.250 0.000 . 227 204 18 G N9 N 169.551 0.000 . 228 205 19 U H5 H 5.973 0.002 . 229 205 19 U H6 H 7.895 0.002 . 230 205 19 U C5 C 105.440 0.000 . 231 205 19 U C6 C 143.930 0.000 . 232 205 19 U N1 N 144.461 0.000 . 233 206 20 C H1' H 5.278 0.003 . 234 206 20 C H5 H 5.746 0.003 . 235 206 20 C H6 H 7.798 0.001 . 236 206 20 C H41 H 8.558 0.002 . 237 206 20 C H42 H 7.183 0.003 . 238 206 20 C C1' C 94.085 0.014 . 239 206 20 C C2' C 75.379 0.000 . 240 206 20 C C3' C 72.302 0.000 . 241 206 20 C C4' C 82.231 0.000 . 242 206 20 C C5 C 98.095 0.000 . 243 206 20 C C5' C 64.847 0.000 . 244 206 20 C C6 C 141.686 0.020 . 245 206 20 C N1 N 151.886 0.009 . 246 206 20 C N3 N 198.146 0.000 . 247 206 20 C N4 N 97.994 0.002 . 248 207 21 C H1' H 5.548 0.002 . 249 207 21 C H5 H 5.610 0.002 . 250 207 21 C H6 H 7.798 0.002 . 251 207 21 C H41 H 8.401 0.004 . 252 207 21 C H42 H 6.846 0.003 . 253 207 21 C C1' C 93.863 0.013 . 254 207 21 C C2' C 75.328 0.000 . 255 207 21 C C3' C 72.249 0.000 . 256 207 21 C C4' C 81.793 0.000 . 257 207 21 C C5 C 98.197 0.000 . 258 207 21 C C5' C 64.745 0.000 . 259 207 21 C C6 C 140.977 0.027 . 260 207 21 C N1 N 150.744 0.015 . 261 207 21 C N3 N 196.224 0.000 . 262 207 21 C N4 N 98.024 0.000 . 263 208 22 G H1 H 12.815 0.003 . 264 208 22 G H1' H 5.707 0.002 . 265 208 22 G H8 H 7.508 0.002 . 266 208 22 G C1' C 93.170 0.021 . 267 208 22 G C2' C 75.277 0.000 . 268 208 22 G C3' C 72.838 0.000 . 269 208 22 G C4' C 82.101 0.000 . 270 208 22 G C5' C 65.797 0.000 . 271 208 22 G C8 C 136.263 0.039 . 272 208 22 G N1 N 147.447 0.000 . 273 208 22 G N7 N 235.844 0.000 . 274 208 22 G N9 N 169.124 0.000 . 275 209 23 U H1' H 5.586 0.002 . 276 209 23 U H3 H 13.715 0.004 . 277 209 23 U H5 H 5.069 0.004 . 278 209 23 U H6 H 7.572 0.002 . 279 209 23 U C1' C 93.054 0.041 . 280 209 23 U C2' C 75.595 0.000 . 281 209 23 U C3' C 72.919 0.000 . 282 209 23 U C4' C 82.450 0.000 . 283 209 23 U C5 C 103.198 0.000 . 284 209 23 U C5' C 64.891 0.000 . 285 209 23 U C6 C 141.013 0.017 . 286 209 23 U N1 N 145.563 0.029 . 287 209 23 U N3 N 161.691 0.000 . 288 210 24 G H1' H 5.654 0.004 . 289 210 24 G H4' H 4.465 0.001 . 290 210 24 G H8 H 7.697 0.004 . 291 210 24 G C1' C 91.929 0.042 . 292 210 24 G C2' C 75.601 0.000 . 293 210 24 G C3' C 74.851 0.000 . 294 210 24 G C4 C 152.994 0.000 . 295 210 24 G C4' C 83.640 0.054 . 296 210 24 G C5 C 119.002 0.000 . 297 210 24 G C5' C 66.771 0.000 . 298 210 24 G C6 C 160.715 0.000 . 299 210 24 G C8 C 137.708 0.050 . 300 210 24 G N7 N 237.155 0.000 . 301 210 24 G N9 N 168.880 0.036 . 302 211 25 U H1' H 5.647 0.004 . 303 211 25 U H4' H 4.424 0.001 . 304 211 25 U H5 H 5.392 0.005 . 305 211 25 U H5' H 4.327 0.000 . 306 211 25 U H5'' H 4.077 0.000 . 307 211 25 U H6 H 7.621 0.002 . 308 211 25 U C1' C 91.782 0.049 . 309 211 25 U C2' C 75.588 0.000 . 310 211 25 U C4' C 84.438 0.036 . 311 211 25 U C5 C 104.260 0.000 . 312 211 25 U C5' C 66.596 0.000 . 313 211 25 U C6 C 142.664 0.015 . 314 211 25 U N1 N 144.560 0.012 . 315 212 26 U H1' H 5.575 0.001 . 316 212 26 U H5 H 5.730 0.000 . 317 212 26 U H6 H 7.888 0.001 . 318 212 26 U C1' C 93.669 0.006 . 319 212 26 U C5 C 104.372 0.000 . 320 212 26 U C6 C 143.194 0.001 . 321 212 26 U N1 N 146.781 0.000 . 322 213 27 G H1 H 13.161 0.003 . 323 213 27 G H1' H 5.766 0.004 . 324 213 27 G H8 H 7.853 0.006 . 325 213 27 G C1' C 91.711 0.025 . 326 213 27 G C2' C 75.118 0.000 . 327 213 27 G C3' C 73.992 0.000 . 328 213 27 G C4 C 152.839 0.000 . 329 213 27 G C5 C 118.695 0.000 . 330 213 27 G C6 C 161.886 0.000 . 331 213 27 G C8 C 137.002 0.037 . 332 213 27 G N1 N 148.625 0.000 . 333 213 27 G N7 N 235.616 0.000 . 334 213 27 G N9 N 169.217 0.067 . 335 214 28 C H1' H 5.555 0.003 . 336 214 28 C H5 H 5.319 0.003 . 337 214 28 C H6 H 7.602 0.005 . 338 214 28 C H41 H 8.569 0.003 . 339 214 28 C H42 H 6.859 0.002 . 340 214 28 C C1' C 94.239 0.029 . 341 214 28 C C2' C 75.269 0.000 . 342 214 28 C C3' C 72.540 0.000 . 343 214 28 C C4' C 82.056 0.000 . 344 214 28 C C5 C 97.718 0.000 . 345 214 28 C C5' C 65.794 0.000 . 346 214 28 C C6 C 141.298 0.016 . 347 214 28 C N1 N 150.751 0.000 . 348 214 28 C N3 N 197.339 0.000 . 349 214 28 C N4 N 97.480 0.006 . 350 215 29 A H1' H 5.956 0.004 . 351 215 29 A H2 H 7.007 0.003 . 352 215 29 A H8 H 8.047 0.005 . 353 215 29 A C1' C 92.956 0.025 . 354 215 29 A C2 C 152.408 0.012 . 355 215 29 A C2' C 75.588 0.000 . 356 215 29 A C3' C 72.853 0.000 . 357 215 29 A C4 C 148.992 0.003 . 358 215 29 A C4' C 81.925 0.000 . 359 215 29 A C5 C 121.366 0.015 . 360 215 29 A C5' C 65.430 0.000 . 361 215 29 A C6 C 158.043 0.012 . 362 215 29 A C8 C 139.572 0.028 . 363 215 29 A N1 N 220.929 0.003 . 364 215 29 A N3 N 213.413 0.000 . 365 215 29 A N7 N 230.803 0.000 . 366 215 29 A N9 N 170.613 0.054 . 367 216 30 G H1 H 13.420 0.003 . 368 216 30 G H1' H 5.644 0.003 . 369 216 30 G H8 H 7.322 0.004 . 370 216 30 G C1' C 92.631 0.026 . 371 216 30 G C2' C 75.374 0.000 . 372 216 30 G C3' C 72.650 0.000 . 373 216 30 G C4 C 151.548 0.000 . 374 216 30 G C4' C 81.896 0.000 . 375 216 30 G C5 C 118.916 0.000 . 376 216 30 G C5' C 65.503 0.000 . 377 216 30 G C6 C 161.576 0.000 . 378 216 30 G C8 C 135.778 0.038 . 379 216 30 G N1 N 148.606 0.000 . 380 216 30 G N7 N 234.321 0.000 . 381 216 30 G N9 N 169.353 0.047 . 382 217 31 C H1' H 5.505 0.002 . 383 217 31 C H5 H 5.197 0.001 . 384 217 31 C H6 H 7.628 0.004 . 385 217 31 C H41 H 8.603 0.005 . 386 217 31 C H42 H 6.866 0.004 . 387 217 31 C C1' C 93.963 0.021 . 388 217 31 C C2' C 75.505 0.000 . 389 217 31 C C3' C 72.003 0.000 . 390 217 31 C C4' C 81.793 0.000 . 391 217 31 C C5' C 64.454 0.000 . 392 217 31 C C6 C 140.901 0.020 . 393 217 31 C N1 N 151.150 0.017 . 394 217 31 C N3 N 198.147 0.000 . 395 217 31 C N4 N 99.095 0.001 . 396 218 32 C H1' H 5.531 0.002 . 397 218 32 C H5 H 5.500 0.003 . 398 218 32 C H6 H 7.767 0.004 . 399 218 32 C H41 H 8.527 0.004 . 400 218 32 C H42 H 6.888 0.002 . 401 218 32 C C1' C 94.718 0.021 . 402 218 32 C C2' C 75.616 0.000 . 403 218 32 C C3' C 72.081 0.000 . 404 218 32 C C4' C 82.027 0.000 . 405 218 32 C C5 C 97.823 0.000 . 406 218 32 C C5' C 64.483 0.000 . 407 218 32 C C6 C 141.463 0.022 . 408 218 32 C N1 N 151.411 0.024 . 409 218 32 C N3 N 197.894 0.000 . 410 218 32 C N4 N 98.337 0.001 . 411 1 33 C H1' H 6.115 0.004 . 412 1 33 C H2' H 4.643 0.000 . 413 1 33 C H3' H 4.964 0.002 . 414 1 33 C H4' H 4.432 0.000 . 415 1 33 C H5 H 5.546 0.004 . 416 1 33 C H6 H 7.513 0.004 . 417 1 33 C H41 H 8.439 0.002 . 418 1 33 C H42 H 7.093 0.002 . 419 1 33 C C1' C 92.019 0.070 . 420 1 33 C C2' C 85.201 0.000 . 421 1 33 C C3' C 77.891 0.068 . 422 1 33 C C4' C 85.602 0.054 . 423 1 33 C C5 C 99.184 0.000 . 424 1 33 C C5' C 65.780 0.000 . 425 1 33 C C6 C 141.779 0.020 . 426 1 33 C N1 N 150.370 0.024 . 427 1 33 C N4 N 98.923 0.002 . stop_ save_ save_assigned_chemical_shifts_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_2 stop_ loop_ _Experiment_label NOESY-JR[15N]-Amino HSQC[15N] HSQC[15N]-2J TROSY[15N] HNN-COSY[15N] HSQC[15N]-Amino TOCSY '2D HSQC HC' NOESY[15N]-Imino stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_2 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name 5_SL5A _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 12.820 0.009 . 2 -1 1 G C6 C 162.409 0.000 . 3 -1 1 G N1 N 147.345 0.000 . 4 188 2 G H1 H 12.902 0.003 . 5 188 2 G H8 H 7.563 0.000 . 6 188 2 G C2 C 156.437 0.000 . 7 188 2 G C6 C 161.638 0.000 . 8 188 2 G C8 C 136.667 0.000 . 9 188 2 G N1 N 147.799 0.005 . 10 189 3 G H1 H 13.304 0.003 . 11 189 3 G H8 H 7.270 0.000 . 12 189 3 G C2 C 156.950 0.000 . 13 189 3 G C6 C 161.723 0.000 . 14 189 3 G C8 C 135.866 0.004 . 15 189 3 G N1 N 148.927 0.001 . 16 190 4 C H6 H 7.607 0.000 . 17 190 4 C C6 C 140.938 0.000 . 18 190 4 C N3 N 197.435 0.000 . 19 191 5 U H3 H 13.577 0.001 . 20 191 5 U C2 C 152.702 0.000 . 21 191 5 U C4 C 169.608 0.000 . 22 191 5 U C6 C 141.540 0.000 . 23 191 5 U N3 N 162.208 0.008 . 24 192 6 G H1 H 12.539 0.002 . 25 192 6 G H8 H 7.797 0.000 . 26 192 6 G C2 C 156.529 0.000 . 27 192 6 G C6 C 161.324 0.000 . 28 192 6 G C8 C 136.334 0.008 . 29 192 6 G N1 N 147.522 0.004 . 30 193 7 C H6 H 7.460 0.000 . 31 193 7 C H41 H 8.247 0.000 . 32 193 7 C H42 H 7.010 0.000 . 33 193 7 C C6 C 140.406 0.000 . 34 193 7 C N3 N 196.178 0.000 . 35 194 8 U H3 H 11.341 0.001 . 36 194 8 U H6 H 7.750 0.000 . 37 194 8 U C2 C 154.323 0.000 . 38 194 8 U C4 C 167.143 0.000 . 39 194 8 U C6 C 140.946 0.012 . 40 195 9 U H6 H 7.810 0.000 . 41 195 9 U C6 C 142.611 0.000 . 42 196 10 A H2 H 7.658 0.000 . 43 196 10 A H8 H 8.388 0.000 . 44 196 10 A C8 C 140.973 0.000 . 45 196 10 A N1 N 222.709 0.000 . 46 197 11 C H6 H 7.533 0.000 . 47 197 11 C C6 C 140.683 0.000 . 48 197 11 C N3 N 196.996 0.000 . 49 198 12 G H1 H 12.586 0.004 . 50 198 12 G C2 C 155.760 0.000 . 51 198 12 G C6 C 161.305 0.000 . 52 198 12 G C8 C 136.085 0.000 . 53 198 12 G N1 N 146.906 0.007 . 54 199 13 G H1 H 13.423 0.001 . 55 199 13 G H8 H 7.235 0.000 . 56 199 13 G C2 C 156.899 0.000 . 57 199 13 G C6 C 161.963 0.000 . 58 199 13 G C8 C 136.197 0.011 . 59 199 13 G N1 N 148.674 0.001 . 60 201 15 U H6 H 7.941 0.000 . 61 201 15 U C6 C 143.301 0.000 . 62 202 16 U H6 H 7.869 0.000 . 63 202 16 U C6 C 144.349 0.000 . 64 203 17 C H6 H 7.593 0.000 . 65 203 17 C C6 C 143.024 0.000 . 66 204 18 G H8 H 7.883 0.000 . 67 204 18 G C8 C 142.088 0.000 . 68 206 20 C N3 N 197.771 0.000 . 69 207 21 C H6 H 7.807 0.000 . 70 207 21 C C6 C 140.923 0.000 . 71 207 21 C N3 N 195.928 0.000 . 72 208 22 G H1 H 12.849 0.006 . 73 208 22 G C2 C 156.366 0.000 . 74 208 22 G C6 C 161.434 0.000 . 75 208 22 G C8 C 136.184 0.000 . 76 208 22 G N1 N 147.320 0.000 . 77 209 23 U H3 H 13.783 0.003 . 78 209 23 U H6 H 7.588 0.000 . 79 209 23 U C2 C 152.770 0.000 . 80 209 23 U C4 C 168.719 0.000 . 81 209 23 U C6 C 140.991 0.012 . 82 209 23 U N3 N 161.618 0.014 . 83 210 24 G H8 H 7.738 0.000 . 84 210 24 G C8 C 137.711 0.000 . 85 211 25 U H6 H 7.645 0.000 . 86 211 25 U C6 C 142.719 0.000 . 87 212 26 U H6 H 7.908 0.000 . 88 212 26 U C6 C 143.162 0.000 . 89 213 27 G H1 H 13.187 0.007 . 90 213 27 G H8 H 7.849 0.000 . 91 213 27 G C2 C 157.184 0.000 . 92 213 27 G C6 C 161.902 0.000 . 93 213 27 G C8 C 136.805 0.000 . 94 213 27 G N1 N 148.558 0.002 . 95 214 28 C H6 H 7.613 0.000 . 96 214 28 C C6 C 141.267 0.000 . 97 214 28 C N3 N 197.022 0.000 . 98 215 29 A H8 H 8.062 0.000 . 99 215 29 A C8 C 139.470 0.000 . 100 215 29 A N1 N 220.603 0.000 . 101 216 30 G H1 H 13.470 0.002 . 102 216 30 G H8 H 7.356 0.000 . 103 216 30 G C2 C 157.059 0.000 . 104 216 30 G C6 C 161.503 0.000 . 105 216 30 G C8 C 135.700 0.005 . 106 216 30 G N1 N 148.466 0.010 . 107 217 31 C H6 H 7.643 0.000 . 108 217 31 C C6 C 140.792 0.000 . 109 217 31 C N3 N 197.822 0.000 . 110 218 32 C H6 H 7.775 0.000 . 111 218 32 C C6 C 141.408 0.000 . 112 218 32 C N3 N 197.630 0.000 . 113 1 33 C N3 N 196.698 0.000 . stop_ save_