data_17567 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 26 nt artificial stemloop TASL2 ; _BMRB_accession_number 17567 _BMRB_flat_file_name bmr17567.str _Entry_type original _Submission_date 2011-04-01 _Accession_date 2011-04-01 _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 Aeschbacher Thomas . . 2 Schubert Mario . . 3 Allain Frederic . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 101 "13C chemical shifts" 77 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-03-08 update BMRB 'update entry citation' 2012-01-24 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 17326 '20 nt RNA stem loop' 17559 'Assignment of the stem loop 2 of RsmZ' 17560 'Assignment of the stem loop 4 of RsmZ' 17566 '22 nt artificial stemloop TASL1' 17568 '30 nt artificial stemloop TASL3' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'A procedure to validate and correct the (13)C chemical shift calibration of RNA datasets.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22252483 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Aeschbacher Thomas . . 2 Schubert Mario . . 3 Allain 'Frederic H-T' . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full 'Journal of biomolecular NMR' _Journal_volume 52 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 179 _Page_last 190 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'TASL2 (monomer)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label TASL2 $TASL2 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_TASL2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common TASL2 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 26 _Mol_residue_sequence ; GGGAUUCAUGCUUCGGCAUG AAUCCC ; loop_ _Residue_seq_code _Residue_label 1 G 2 G 3 G 4 A 5 U 6 U 7 C 8 A 9 U 10 G 11 C 12 U 13 U 14 C 15 G 16 G 17 C 18 A 19 U 20 G 21 A 22 A 23 U 24 C 25 C 26 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 $TASL2 . . . . . . stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name _Details $TASL2 'cell free synthesis' . . . . 'not applicable' 'not applicable' ; Production method: In vitro transcription using a chemically synthesized DNA template ; 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 $TASL2 2 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $TASL2 2 mM 'natural abundance' 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_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 Avance _Field_strength 700 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_TOCSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _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_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _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_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 303 . K pH 7.4 . pH pressure 1 . atm 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 H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 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 TOCSY' '2D 1H-13C HSQC' '2D 1H-1H NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name TASL2 _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 5.852 0.150 . 2 1 1 G H8 H 8.159 0.002 . 3 1 1 G C1' C 91.552 0.050 . 4 1 1 G C8 C 139.237 0.050 . 5 2 2 G H1 H 12.697 0.002 . 6 2 2 G H1' H 5.959 0.002 . 7 2 2 G H8 H 7.559 0.002 . 8 2 2 G C1' C 92.914 0.100 . 9 2 2 G C8 C 136.916 0.050 . 10 3 3 G H1 H 12.377 0.002 . 11 3 3 G H1' H 5.816 0.002 . 12 3 3 G H8 H 7.243 0.002 . 13 3 3 G C1' C 93.042 0.100 . 14 3 3 G C8 C 136.291 0.050 . 15 4 4 A H1' H 6.012 0.002 . 16 4 4 A H2 H 7.813 0.002 . 17 4 4 A H8 H 7.742 0.002 . 18 4 4 A C1' C 93.286 0.050 . 19 4 4 A C2 C 153.989 0.050 . 20 4 4 A C8 C 139.530 0.100 . 21 5 5 U H1' H 5.500 0.002 . 22 5 5 U H3 H 14.121 0.002 . 23 5 5 U H5 H 5.082 0.002 . 24 5 5 U H6 H 7.569 0.002 . 25 5 5 U C1' C 93.778 0.150 . 26 5 5 U C5 C 102.948 0.100 . 27 5 5 U C6 C 141.506 0.050 . 28 6 6 U H1' H 5.669 0.002 . 29 6 6 U H3 H 13.703 0.002 . 30 6 6 U H5 H 5.558 0.002 . 31 6 6 U H6 H 7.970 0.002 . 32 6 6 U C1' C 93.797 0.050 . 33 6 6 U C5 C 103.432 0.050 . 34 6 6 U C6 C 142.423 0.050 . 35 7 7 C H1' H 5.506 0.002 . 36 7 7 C H5 H 5.703 0.002 . 37 7 7 C H6 H 7.869 0.003 . 38 7 7 C H41 H 8.267 0.009 . 39 7 7 C H42 H 6.884 0.002 . 40 7 7 C C1' C 94.011 0.150 . 41 7 7 C C5 C 97.941 0.050 . 42 7 7 C C6 C 141.598 0.100 . 43 8 8 A H1' H 5.887 0.002 . 44 8 8 A H2 H 7.265 0.003 . 45 8 8 A H8 H 8.095 0.002 . 46 8 8 A C1' C 93.044 0.150 . 47 8 8 A C2 C 153.170 0.050 . 48 8 8 A C8 C 139.324 0.100 . 49 9 9 U H1' H 5.489 0.002 . 50 9 9 U H3 H 13.426 0.002 . 51 9 9 U H5 H 5.033 0.003 . 52 9 9 U H6 H 7.632 0.002 . 53 9 9 U C1' C 92.995 0.050 . 54 9 9 U C5 C 103.202 0.050 . 55 9 9 U C6 C 140.995 0.050 . 56 10 10 G H1 H 12.552 0.002 . 57 10 10 G H1' H 5.815 0.002 . 58 10 10 G H8 H 7.702 0.002 . 59 10 10 G C1' C 92.390 0.050 . 60 10 10 G C8 C 136.274 0.050 . 61 11 11 C H1' H 5.463 0.002 . 62 11 11 C H5 H 5.177 0.002 . 63 11 11 C H6 H 7.456 0.004 . 64 11 11 C H41 H 8.509 0.009 . 65 11 11 C H42 H 6.839 0.002 . 66 11 11 C C1' C 93.894 0.050 . 67 11 11 C C5 C 97.238 0.050 . 68 11 11 C C6 C 140.590 0.050 . 69 12 12 U H1' H 5.658 0.003 . 70 12 12 U H2' H 3.793 0.002 . 71 12 12 U H5 H 5.713 0.002 . 72 12 12 U H6 H 7.768 0.004 . 73 12 12 U HO2' H 6.620 0.050 . 74 12 12 U C1' C 94.549 0.050 . 75 12 12 U C2' C 75.984 0.050 . 76 12 12 U C5 C 105.109 0.050 . 77 12 12 U C6 C 140.645 0.050 . 78 13 13 U H1' H 6.117 0.002 . 79 13 13 U H5 H 5.880 0.003 . 80 13 13 U H6 H 8.048 0.005 . 81 13 13 U C1' C 89.288 0.050 . 82 13 13 U C5 C 105.541 0.050 . 83 13 13 U C6 C 144.762 0.050 . 84 14 14 C H1' H 5.972 0.002 . 85 14 14 C H4' H 3.817 0.002 . 86 14 14 C H5 H 6.145 0.002 . 87 14 14 C H6 H 7.705 0.006 . 88 14 14 C C1' C 89.153 0.050 . 89 14 14 C C4' C 84.507 0.050 . 90 14 14 C C5 C 98.596 0.050 . 91 14 14 C C6 C 142.832 0.050 . 92 15 15 G H1 H 9.875 0.002 . 93 15 15 G H1' H 5.976 0.002 . 94 15 15 G H3' H 5.633 0.002 . 95 15 15 G H5' H 4.414 0.002 . 96 15 15 G H5'' H 4.206 0.002 . 97 15 15 G H8 H 7.874 0.002 . 98 15 15 G C1' C 94.567 0.050 . 99 15 15 G C3' C 75.926 0.050 . 100 15 15 G C5' C 69.012 0.050 . 101 15 15 G C8 C 142.921 0.050 . 102 16 16 G H1 H 13.364 0.002 . 103 16 16 G H1' H 4.467 0.002 . 104 16 16 G H5' H 4.512 0.002 . 105 16 16 G H5'' H 4.298 0.002 . 106 16 16 G H8 H 8.296 0.002 . 107 16 16 G C1' C 93.239 0.050 . 108 16 16 G C5' C 69.752 0.050 . 109 16 16 G C8 C 138.962 0.050 . 110 17 17 C H1' H 5.504 0.002 . 111 17 17 C H3' H 5.633 0.002 . 112 17 17 C H5 H 5.314 0.002 . 113 17 17 C H6 H 7.686 0.006 . 114 17 17 C H41 H 8.567 0.007 . 115 17 17 C H42 H 6.826 0.002 . 116 17 17 C C1' C 93.911 0.150 . 117 17 17 C C3' C 75.926 0.100 . 118 17 17 C C5 C 97.271 0.100 . 119 17 17 C C6 C 141.061 0.100 . 120 18 18 A H1' H 5.978 0.003 . 121 18 18 A H2 H 7.310 0.002 . 122 18 18 A H8 H 8.057 0.002 . 123 18 18 A C1' C 93.258 0.100 . 124 18 18 A C2 C 153.070 0.050 . 125 18 18 A C8 C 139.714 0.100 . 126 19 19 U H1' H 5.448 0.002 . 127 19 19 U H3 H 13.432 0.002 . 128 19 19 U H5 H 5.073 0.002 . 129 19 19 U H6 H 7.559 0.002 . 130 19 19 U C1' C 93.085 0.050 . 131 19 19 U C5 C 103.177 0.100 . 132 19 19 U C6 C 140.790 0.050 . 133 20 20 G H1 H 11.678 0.002 . 134 20 20 G H1' H 5.741 0.002 . 135 20 20 G H8 H 7.644 0.002 . 136 20 20 G C1' C 92.392 0.050 . 137 20 20 G C8 C 136.414 0.050 . 138 21 21 A H1' H 5.841 0.002 . 139 21 21 A H2 H 7.110 0.004 . 140 21 21 A H8 H 7.760 0.003 . 141 21 21 A C1' C 92.972 0.050 . 142 21 21 A C2 C 153.038 0.050 . 143 21 21 A C8 C 139.547 0.100 . 144 22 22 A H1' H 5.894 0.002 . 145 22 22 A H2 H 7.784 0.002 . 146 22 22 A H8 H 7.768 0.003 . 147 22 22 A C1' C 92.863 0.100 . 148 22 22 A C2 C 153.903 0.050 . 149 22 22 A C8 C 139.514 0.100 . 150 23 23 U H1' H 5.530 0.002 . 151 23 23 U H3 H 14.013 0.002 . 152 23 23 U H5 H 4.995 0.002 . 153 23 23 U H6 H 7.644 0.002 . 154 23 23 U C1' C 93.338 0.050 . 155 23 23 U C5 C 102.636 0.050 . 156 23 23 U C6 C 141.546 0.150 . 157 24 24 C H1' H 5.596 0.002 . 158 24 24 C H5 H 5.597 0.002 . 159 24 24 C H6 H 7.857 0.002 . 160 24 24 C H41 H 8.409 0.008 . 161 24 24 C H42 H 6.872 0.004 . 162 24 24 C C1' C 94.153 0.050 . 163 24 24 C C5 C 97.548 0.050 . 164 24 24 C C6 C 141.701 0.050 . 165 25 25 C H5 H 5.491 0.003 . 166 25 25 C H6 H 7.815 0.002 . 167 25 25 C H41 H 8.445 0.011 . 168 25 25 C H42 H 6.841 0.002 . 169 25 25 C C5 C 97.574 0.050 . 170 25 25 C C6 C 141.646 0.050 . 171 26 26 C H1' H 5.774 0.002 . 172 26 26 C H3' H 4.201 0.002 . 173 26 26 C H5 H 5.503 0.003 . 174 26 26 C H6 H 7.697 0.003 . 175 26 26 C C1' C 92.878 0.050 . 176 26 26 C C3' C 69.832 0.050 . 177 26 26 C C5 C 98.070 0.050 . 178 26 26 C C6 C 141.966 0.050 . stop_ save_