data_50097 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N chemical shift assignments of the imino groups of yeast tRNAPhe: influence of the post-transcriptional modifications ; _BMRB_accession_number 50097 _BMRB_flat_file_name bmr50097.str _Entry_type original _Submission_date 2019-11-28 _Accession_date 2019-11-28 _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 Catala Marjorie . . 2 Gato Alexandre . . 3 Tisne Carine . . 4 Barraud Pierre . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 28 "15N chemical shifts" 28 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-09-19 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 50095 '1H, 15N chemical shift assignments of the imino groups of yeast tRNAPhe: influence of the post-transcriptional modifications' 50096 '1H, 15N chemical shift assignments of the imino groups of yeast tRNAPhe: influence of the post-transcriptional modifications' stop_ _Original_release_date 2019-12-02 save_ ############################# # Citation for this entry # ############################# save_citations_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 15N chemical shift assignments of the imino groups of yeast tRNA Phe: influence of the post-transcriptional modifications ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 32239363 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Catala Marjorie . . 2 Gato Alexandre . . 3 Tisne Carine . . 4 Barraud Pierre . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 14 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 169 _Page_last 174 _Year 2020 _Details . loop_ _Keyword 'tRNA; imino groups; RNA resonance assignment; post-transcriptional modifications' stop_ save_ ################################## # Molecular system description # ################################## save_assembly_1 _Saveframe_category molecular_system _Mol_system_name 'matured yeast tRNAPhe' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label tRNAPhe $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 'matured yeast tRNAPhe' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 76 _Mol_residue_sequence ; GCGGAUUUAXCUCAGXXGGG AGAGCXCCAGAXUXAAXAXX UGGAGXUCXUGUGXCGXUCC ACAGAAUUCGCACCA ; loop_ _Residue_seq_code _Residue_label 1 G 2 C 3 G 4 G 5 A 6 U 7 U 8 U 9 A 10 M2G 11 C 12 U 13 C 14 A 15 G 16 D 17 D 18 G 19 G 20 G 21 A 22 G 23 A 24 G 25 C 26 M22G 27 C 28 C 29 A 30 G 31 A 32 CM 33 U 34 GM 35 A 36 A 37 YW 38 A 39 PSU 40 M5C 41 U 42 G 43 G 44 A 45 G 46 M7G 47 U 48 C 49 M5C 50 U 51 G 52 U 53 G 54 M5U 55 PSU 56 C 57 G 58 M1A 59 U 60 C 61 C 62 A 63 C 64 A 65 G 66 A 67 A 68 U 69 U 70 C 71 G 72 C 73 A 74 C 75 C 76 A stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value tRNADB tdbR00000083 . . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 "baker's yeast" 4932 Eukaryota Fungi Saccharomyces cerevisiae 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 _Details $entity_1 'obtained from a vendor' . . . . . 'MERCK - ref: R4018' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'matured yeast tRNAPhe' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.8 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name TOPSPIN _Version 3.5 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_software_2 _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _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-15N_BEST-TROSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N BEST-TROSY' _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' 20 . mM pH 6.5 . pH pressure 1 . atm temperature 311 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details 'DSS external referencing' 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 H 1 'methyl protons' ppm 0.00 external direct . . . 1 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 'imino groups of matured yeast tRNAPhe' loop_ _Experiment_label '2D 1H-1H NOESY' '2D 1H-15N BEST-TROSY' 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 tRNAPhe _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 12.468 0.020 1 2 1 1 G N1 N 148.471 0.200 1 3 3 3 G H1 H 12.273 0.020 1 4 3 3 G N1 N 147.815 0.200 1 5 4 4 G H1 H 10.319 0.020 1 6 4 4 G N1 N 143.589 0.200 1 7 6 6 U H3 H 14.335 0.020 1 8 6 6 U N3 N 163.167 0.200 1 9 7 7 U H3 H 13.239 0.020 1 10 7 7 U N3 N 161.174 0.200 1 11 8 8 U H3 H 14.354 0.020 1 12 8 8 U N3 N 164.510 0.200 1 13 10 10 M2G H1 H 12.686 0.020 1 14 10 10 M2G N1 N 148.402 0.200 1 15 12 12 U H3 H 13.712 0.020 1 16 12 12 U N3 N 160.869 0.200 1 17 15 15 G H1 H 12.080 0.020 1 18 15 15 G N1 N 147.866 0.200 1 19 18 18 G H1 H 9.797 0.020 1 20 18 18 G N1 N 147.178 0.200 1 21 22 22 G H1 H 12.899 0.020 1 22 22 22 G N1 N 148.461 0.200 1 23 24 24 G H1 H 13.609 0.020 1 24 24 24 G N1 N 148.872 0.200 1 25 30 30 G H1 H 12.485 0.020 1 26 30 30 G N1 N 147.674 0.200 1 27 41 41 U H3 H 13.182 0.020 1 28 41 41 U N3 N 162.388 0.200 1 29 42 42 G H1 H 12.093 0.020 1 30 42 42 G N1 N 147.047 0.200 1 31 43 43 G H1 H 12.530 0.020 1 32 43 43 G N1 N 148.182 0.200 1 33 46 46 M7G H1 H 13.360 0.020 1 34 46 46 M7G N1 N 151.913 0.200 1 35 50 50 U H3 H 13.201 0.020 1 36 50 50 U N3 N 162.569 0.200 1 37 51 51 G H1 H 12.356 0.020 1 38 51 51 G N1 N 147.807 0.200 1 39 52 52 U H3 H 13.710 0.020 1 40 52 52 U N3 N 163.315 0.200 1 41 53 53 G H1 H 12.503 0.020 1 42 53 53 G N1 N 147.803 0.200 1 43 54 54 M5U H3 H 12.431 0.020 1 44 54 54 M5U N3 N 158.311 0.200 1 45 55 55 PSU H1 H 10.315 0.020 1 46 55 55 PSU H3 H 11.589 0.020 1 47 55 55 PSU N1 N 135.952 0.200 1 48 55 55 PSU N3 N 160.807 0.200 1 49 65 65 G H1 H 12.453 0.020 1 50 65 65 G N1 N 147.719 0.200 1 51 68 68 U H3 H 13.837 0.020 1 52 68 68 U N3 N 161.777 0.200 1 53 69 69 U H3 H 11.727 0.020 1 54 69 69 U N3 N 159.194 0.200 1 55 71 71 G H1 H 12.884 0.020 1 56 71 71 G N1 N 148.374 0.200 1 stop_ save_