data_27552 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Chemical Shift Assignments for m62A-h45 ; _BMRB_accession_number 27552 _BMRB_flat_file_name bmr27552.str _Entry_type original _Submission_date 2018-07-18 _Accession_date 2018-07-18 _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 Liu Xiaodan . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 109 "13C chemical shifts" 2 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-06-03 original BMRB . stop_ _Original_release_date 2018-07-18 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Assigned Chemical Shifts for m62A-h45 ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Liu Xiaodan . . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name m62A-h45 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label m62A-h45 $m62A-h45 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_m62A-h45 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common m62A-h45 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 24 _Mol_residue_sequence ; UAAGUGUACUGGXXAGUGCA CUUG ; loop_ _Residue_seq_code _Residue_label 1 U 2 A 3 A 4 G 5 U 6 G 7 U 8 A 9 C 10 U 11 G 12 G 13 DMA 14 DMA 15 A 16 G 17 U 18 G 19 C 20 A 21 C 22 U 23 U 24 G 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 $m62A-h45 Human 9606 Eukaryota Metazoa Homo sapiens 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 $m62A-h45 'chemical synthesis' . Escherichia coli . puc19 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 $m62A-h45 1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Uniform NMR System' _Field_strength 600 _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_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 2 . mM pH 6.5 . pH pressure 1 . atm temperature 283 . 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 water H 1 protons ppm 0 internal direct . . . 1 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-1H 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 m62A-h45 _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 U H1' H 5.337 . . 2 1 1 U H2' H 4.140 . . 3 1 1 U H3 H 11.580 . . 4 1 1 U H3' H 4.472 . . 5 1 1 U H5 H 5.343 . . 6 1 1 U H6 H 7.718 . . 7 2 2 A H1' H 5.905 . . 8 2 2 A H2 H 7.169 . . 9 2 2 A H2' H 4.831 . . 10 2 2 A H3' H 4.550 . . 11 2 2 A H8 H 8.268 . . 12 3 3 A H1' H 5.960 . . 13 3 3 A H2 H 7.489 . . 14 3 3 A H2' H 4.677 . . 15 3 3 A H8 H 7.968 . . 16 4 4 G H1 H 13.454 . . 17 4 4 G H1' H 5.537 . . 18 4 4 G H2' H 4.344 . . 19 4 4 G H3' H 4.468 . . 20 4 4 G H8 H 7.140 . . 21 5 5 U H1' H 5.471 . . 22 5 5 U H3 H 13.663 . . 23 5 5 U H5 H 5.019 . . 24 5 5 U H6 H 7.647 . . 25 6 6 G H1 H 12.561 . . 26 6 6 G H1' H 5.777 . . 27 6 6 G H2' H 4.610 . . 28 6 6 G H8 H 7.614 . . 29 7 7 U H1' H 5.363 . . 30 7 7 U H2' H 4.175 . . 31 7 7 U H3 H 11.636 . . 32 7 7 U H3' H 4.596 . . 33 7 7 U H5 H 5.477 . . 34 7 7 U H6 H 7.743 . . 35 8 8 A H1' H 5.930 . . 36 8 8 A H2 H 7.190 . . 37 8 8 A H2' H 4.498 . . 38 8 8 A H8 H 8.339 . . 39 9 9 C H1' H 5.400 . . 40 9 9 C H2' H 4.073 . . 41 9 9 C H3' H 4.495 . . 42 9 9 C H4' H 4.362 . . 43 9 9 C H5 H 5.185 . . 44 9 9 C H6 H 7.504 . . 45 9 9 C H41 H 8.342 . . 46 9 9 C H42 H 6.954 . . 47 10 10 U H1' H 5.895 . . 48 10 10 U H3 H 13.507 . . 49 10 10 U H5 H 5.632 . . 50 10 10 U H6 H 7.786 . . 51 11 11 G H1 H 10.144 . . 52 11 11 G H1' H 5.716 . . 53 11 11 G H2' H 4.598 . . 54 11 11 G H8 H 7.872 . . 55 11 11 G H22 H 6.279 . . 56 12 12 G H1' H 5.700 . . 57 12 12 G H2' H 4.539 . . 58 12 12 G H8 H 7.555 . . 59 13 13 DMA H1' H 5.539 . . 60 13 13 DMA H2' H 4.596 . . 61 13 13 DMA H8 H 7.902 . . 62 13 13 DMA CH3 C 3.010 . . 63 14 14 DMA H1' H 6.279 . . 64 14 14 DMA H2 H 7.708 . . 65 14 14 DMA H8 H 7.656 . . 66 14 14 DMA CH3 C 3.279 . . 67 15 15 A H1' H 5.240 . . 68 15 15 A H2 H 7.474 . . 69 15 15 A H2' H 4.506 . . 70 15 15 A H3' H 4.188 . . 71 15 15 A H8 H 8.280 . . 72 16 16 G H1 H 12.687 . . 73 16 16 G H1' H 5.686 . . 74 16 16 G H2' H 4.305 . . 75 16 16 G H3' H 4.464 . . 76 16 16 G H8 H 7.231 . . 77 17 17 U H1' H 5.564 . . 78 17 17 U H2' H 4.497 . . 79 17 17 U H3 H 13.959 . . 80 17 17 U H5 H 5.125 . . 81 17 17 U H6 H 7.703 . . 82 18 18 G H1 H 10.750 . . 83 18 18 G H1' H 5.794 . . 84 18 18 G H2' H 4.380 . . 85 18 18 G H8 H 7.662 . . 86 19 19 C H1' H 5.351 . . 87 19 19 C H2' H 4.328 . . 88 19 19 C H5 H 5.353 . . 89 19 19 C H6 H 7.639 . . 90 19 19 C H41 H 8.085 . . 91 19 19 C H42 H 6.858 . . 92 20 20 A H1' H 5.886 . . 93 20 20 A H2 H 7.374 . . 94 20 20 A H2' H 4.543 . . 95 20 20 A H8 H 8.008 . . 96 21 21 C H1' H 5.383 . . 97 21 21 C H2' H 4.172 . . 98 21 21 C H5 H 5.205 . . 99 21 21 C H6 H 7.534 . . 100 21 21 C H41 H 8.224 . . 101 21 21 C H42 H 6.999 . . 102 22 22 U H1' H 5.494 . . 103 22 22 U H3 H 14.093 . . 104 22 22 U H5 H 5.318 . . 105 22 22 U H6 H 7.820 . . 106 23 23 U H1' H 5.700 . . 107 23 23 U H5 H 5.520 . . 108 23 23 U H6 H 7.816 . . 109 24 24 G H1 H 10.704 . . 110 24 24 G H1' H 5.684 . . 111 24 24 G H8 H 7.780 . . stop_ save_