data_18616 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Relaxation rates for accurate spectral density mapping for unbiased analysis of nucleic acid motions probed by carbon-13 NMR relaxation ; _BMRB_accession_number 18616 _BMRB_flat_file_name bmr18616.str _Entry_type original _Submission_date 2012-07-26 _Accession_date 2012-07-26 _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 Kaderavek Pavel . . 2 Zapletal Vojtech . . 3 Fiala Radovan . . 4 Sklenar Vladimir . . 5 Zidek Lukas . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count heteronucl_NOE 4 T1_relaxation 3 T1rho_relaxation 3 stop_ loop_ _Data_type _Data_type_count "T1 relaxation values" 39 "T1rho relaxation values" 39 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-08-30 original BMRB . stop_ _Original_release_date 2012-07-26 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Spectral density mapping at multiple magnetic fields suitable for (13)C NMR relaxation studies ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27003380 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kaderavek Pavel . . 2 Zapletal Vojtech . . 3 Fiala Radovan . . 4 Srb Pavel . . 5 Padrta Petr . . 6 Precechtelova 'Jana Pavlikova' P. . 7 Soltesova Maria . . 8 Kowalewski Jozef . . 9 Widmalm Goran . . 10 Chmelik Josef . . 11 Sklenar Vladimir . . 12 Zidek Lukas . . stop_ _Journal_abbreviation 'J. Magn. Reson.' _Journal_name_full 'Journal of magnetic resonance (San Diego, Calif. : 1997)' _Journal_volume 266 _Journal_issue . _Journal_ISSN 1096-0856 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 23 _Page_last 40 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'UUCG tetraloop' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'UUCG teraloop' $UUCG_tetraloop 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_UUCG_tetraloop _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common UUCG_tetraloop _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 14 _Mol_residue_sequence ; GGCACUUCGGUGCC ; loop_ _Residue_seq_code _Residue_label 1 G 2 G 3 C 4 A 5 C 6 U 7 U 8 C 9 G 10 G 11 U 12 G 13 C 14 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 _Details $UUCG_tetraloop . . . . . . 'multiple natural sources' 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 $UUCG_tetraloop 'chemical synthesis' . . . . . 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 $UUCG_tetraloop 3.0 mM '[U-13C; U-15N]' EDTA 0.2 mM 'natural abundance' 'sodium phosphate' 10 mM 'natural abundance' 'sodium azide' 0.05 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Unity _Field_strength 400 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Unity _Field_strength 500 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Unity _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_R1_13C,1H_correlation_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D R1 13C,1H correlation' _Sample_label $sample_1 save_ save_2D_R1rho_13C,1H_correlation_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D R1rho 13C,1H correlation' _Sample_label $sample_1 save_ save_2D_NOE_13C,1H_correlation_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOE 13C,1H correlation' _Sample_label $sample_1 save_ save_2D_constant-time_13C(coupled),1H_correlation_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D constant-time 13C(coupled),1H correlation' _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 pH* 6.7 . pH pressure 1 . atm temperature 298.15 0.1 K stop_ save_ save_heteronuclear_T1_list_1 _Saveframe_category T1_relaxation _Details 'Reported as R1' loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 400 _T1_coherence_type Sz _T1_value_units s-1 _Mol_system_component_name 'UUCG teraloop' _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 1 G C8 7.56477 0.22903 2 2 G C8 5.89530 0.08106 3 4 A C8 5.44834 0.04913 4 4 A C2 5.34609 0.05806 5 5 C C6 6.14737 0.03797 6 7 U C6 4.67068 0.01668 7 8 C C6 5.51259 0.02683 8 9 G C8 5.12843 0.17876 9 10 G C8 5.48470 0.04006 10 11 U C6 6.13515 0.03116 11 12 G C8 5.50404 0.05034 12 13 C C6 6.08180 0.03820 13 14 C C6 5.97961 0.03570 stop_ save_ save_heteronuclear_T1_list_2 _Saveframe_category T1_relaxation _Details 'Reported as R1' loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 500 _T1_coherence_type Sz _T1_value_units s-1 _Mol_system_component_name 'UUCG teraloop' _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 1 G C8 5.25146 0.20523 2 2 G C8 4.44008 0.06095 3 4 A C8 4.00849 0.02776 4 4 A C2 4.09065 0.02852 5 5 C C6 4.84269 0.02046 6 7 U C6 3.69959 0.01029 7 8 C C6 4.31182 0.01503 8 9 G C8 4.07252 0.22933 9 10 G C8 4.10598 0.02431 10 11 U C6 4.86654 0.01748 11 12 G C8 4.12041 0.02622 12 13 C C6 4.70720 0.02013 13 14 C C6 4.69710 0.02027 stop_ save_ save_heteronuclear_T1_list_3 _Saveframe_category T1_relaxation _Details 'Reported as R1' loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _T1_coherence_type Sz _T1_value_units s-1 _Mol_system_component_name 'UUCG teraloop' _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 1 G C8 4.81380 0.38560 2 2 G C8 3.42796 0.12140 3 4 A C8 3.18802 0.08384 4 4 A C2 3.35667 0.08209 5 5 C C6 4.00853 0.06425 6 7 U C6 3.11479 0.03394 7 8 C C6 3.57908 0.04156 8 9 G C8 2.88906 0.26609 9 10 G C8 3.20217 0.06017 10 11 U C6 4.05652 0.05173 11 12 G C8 3.23591 0.08353 12 13 C C6 3.93162 0.05713 13 14 C C6 3.89141 0.05102 stop_ save_ save_heteronuclear_T1rho_list_1 _Saveframe_category T1rho_relaxation _Details ; spin lock field strength: 2783.96 Hz spin lock carrier frequency: 137.331 ppm ; loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 400 _T1rho_coherence_type S(+,-) _T1rho_value_units s-1 _Text_data_format . _Text_data . loop_ _T1rho_ID _Residue_seq_code _Residue_label _Atom_name _T1rho_value _T1rho_value_error 1 1 G C8 23.46330 139.50764 2 2 G C8 18.58348 6.38361 3 4 A C8 16.37127 4.58792 4 4 A C2 14.93758 3.87634 5 5 C C6 18.40135 3.03657 6 7 U C6 13.36913 1.13049 7 8 C C6 17.36475 1.92082 8 9 G C8 15.59618 66.71552 9 10 G C8 16.64735 3.34256 10 11 U C6 18.10312 2.40324 11 12 G C8 16.14761 3.26559 12 13 C C6 18.38015 2.84777 13 14 C C6 17.94060 2.51593 stop_ save_ save_heteronuclear_T1rho_list_2 _Saveframe_category T1rho_relaxation _Details ; spin lock field strength: 1964.06 Hz spin lock carrier frequency: 138.124 ppm ; loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 500 _T1rho_coherence_type S(+,-) _T1rho_value_units s-1 _Text_data_format . _Text_data . loop_ _T1rho_ID _Residue_seq_code _Residue_label _Atom_name _T1rho_value _T1rho_value_error 1 1 G C8 23.64497 3.77748 2 2 G C8 20.22571 0.95293 3 4 A C8 17.10419 0.38266 4 4 A C2 12.88546 0.28459 5 5 C C6 19.84867 0.25809 6 7 U C6 13.97558 0.12228 7 8 C C6 19.10169 0.20865 8 9 G C8 17.70647 3.27717 9 10 G C8 17.50221 0.33925 10 11 U C6 20.07738 0.22573 11 12 G C8 15.82181 0.32160 12 13 C C6 20.27356 0.26680 13 14 C C6 19.40426 0.25063 stop_ save_ save_heteronuclear_T1rho_list_3 _Saveframe_category T1rho_relaxation _Details ; spin lock field strength: 4807.69 Hz spin lock carrier frequency: 137.348 ppm ; loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _T1rho_coherence_type S(+,-) _T1rho_value_units s-1 _Text_data_format . _Text_data . loop_ _T1rho_ID _Residue_seq_code _Residue_label _Atom_name _T1rho_value _T1rho_value_error 1 1 G C8 24.10197 4.30856 2 2 G C8 20.07290 2.18692 3 4 A C8 17.03804 0.75518 4 4 A C2 16.57740 0.71166 5 5 C C6 21.25115 0.54240 6 7 U C6 14.75440 0.33443 7 8 C C6 19.60336 0.80864 8 9 G C8 16.04717 2.37112 9 10 G C8 16.92867 0.53894 10 11 U C6 21.19497 0.50104 11 12 G C8 16.80581 0.67866 12 13 C C6 21.50914 1.38548 13 14 C C6 20.65178 1.20740 stop_ save_ save_heteronuclear_noe_list_1 _Saveframe_category heteronuclear_NOE _Details ; interscan delay: 3.0s proton saturation period: 3.0s ; loop_ _Experiment_label '2D NOE 13C,1H correlation' stop_ loop_ _Sample_label . stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 400 _Mol_system_component_name 'UUCG teraloop' _Atom_one_atom_name C8 _Atom_two_atom_name H8 _Heteronuclear_NOE_value_type 'peak height' _NOE_reference_value 0 _NOE_reference_description 'not applicable' _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 1 G 1.12467 0.11064 2 G 1.16818 0.05824 4 A 1.17063 0.03980 4 A 1.16351 0.03867 5 C 1.15718 0.02456 7 U 1.23950 0.01632 8 C 1.16018 0.01989 9 G 1.17160 0.14611 10 G 1.21208 0.03689 11 U 1.13037 0.01926 12 G 1.14615 0.03487 13 C 1.16021 0.02381 14 C 1.17322 0.02371 stop_ save_ save_heteronuclear_noe_list_2 _Saveframe_category heteronuclear_NOE _Details ; interscan delay: 5.0s proton saturation period 1.5s ; loop_ _Experiment_label '2D NOE 13C,1H correlation' stop_ loop_ _Sample_label . stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 500 _Mol_system_component_name 'UUCG teraloop' _Atom_one_atom_name C8 _Atom_two_atom_name H8 _Heteronuclear_NOE_value_type 'peak height' _NOE_reference_value 0 _NOE_reference_description 'not applicable' _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 1 G 1.11533 0.05685 2 G 1.15588 0.02118 4 A 1.15855 0.00993 4 A 1.13787 0.00891 5 C 1.12992 0.00787 7 U 1.22633 0.00577 8 C 1.15226 0.00657 9 G 1.14694 0.07919 10 G 1.16511 0.00870 11 U 1.13258 0.00754 12 G 1.15688 0.00944 13 C 1.14350 0.00817 14 C 1.14281 0.00836 stop_ save_ save_heteronuclear_noe_list_3 _Saveframe_category heteronuclear_NOE _Details ; interscan delay: 3.5s proton saturation period: 3.0s ; loop_ _Experiment_label '2D NOE 13C,1H correlation' stop_ loop_ _Sample_label . stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 500 _Mol_system_component_name 'UUCG teraloop' _Atom_one_atom_name C8 _Atom_two_atom_name H8 _Heteronuclear_NOE_value_type 'peak height' _NOE_reference_value 0 _NOE_reference_description 'not applicable' _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 1 G 1.14724 0.04114 2 G 1.15858 0.01490 4 A 1.15073 0.00697 4 A 1.13093 0.00625 5 C 1.13640 0.00562 7 U 1.22371 0.00406 8 C 1.14590 0.00461 9 G 1.13964 0.06008 10 G 1.16577 0.00617 11 U 1.13568 0.00533 12 G 1.15243 0.00663 13 C 1.13687 0.00573 14 C 1.14169 0.00587 stop_ save_ save_heteronuclear_noe_list_4 _Saveframe_category heteronuclear_NOE _Details ; interscan delay: 3.0s proton saturation period: 3.0s ; loop_ _Experiment_label '2D NOE 13C,1H correlation' stop_ loop_ _Sample_label . stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _Mol_system_component_name 'UUCG teraloop' _Atom_one_atom_name C8 _Atom_two_atom_name H8 _Heteronuclear_NOE_value_type 'peak height' _NOE_reference_value 0 _NOE_reference_description 'not applicable' _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 1 G 1.10521 0.13670 2 G 1.13248 0.04723 4 A 1.13402 0.02875 4 A 1.10851 0.03011 5 C 1.10733 0.01561 7 U 1.21410 0.01084 8 C 1.12866 0.01335 9 G 1.13827 0.11132 10 G 1.14404 0.02454 11 U 1.10875 0.01409 12 G 1.13112 0.02875 13 C 1.10864 0.01626 14 C 1.12010 0.01598 stop_ save_