data_27794 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N chemical shift assignments of the GTP 9-12 RNA aptamer in complex with GTP ; _BMRB_accession_number 27794 _BMRB_flat_file_name bmr27794.str _Entry_type original _Submission_date 2019-02-20 _Accession_date 2019-02-20 _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 Wolter Antje C. . 2 Pianu Angela . . 3 Kremser Johannes . . 4 Strebitzer Elisabeth . . 5 Kreutz Christoph . . 6 Duchardt-Ferner Elke . . 7 Woehnert Jens . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 351 "13C chemical shifts" 324 "15N chemical shifts" 146 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-04-29 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 25661 'GTP binding aptamers 9-12 and class II derive from same SELEX procedure' stop_ _Original_release_date 2019-02-20 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR resonance assignments for the GTP-binding RNA aptamer 9-12 in complex with GTP ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31030336 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wolter Antje C. . 2 Pianu Angela . . 3 Kremser Johannes . . 4 Strebitzer Elisabeth . . 5 Schnieders Robbin . . 6 Fuertig Boris . . 7 Kreutz Christoph . . 8 Duchardt-Ferner Elke . . 9 Woehnert Jens . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _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 2019 _Details . loop_ _Keyword GTP NMR RNA aptamer 'selective labeling' 'triple resonance assignmnet' stop_ save_ ####################################### # Cited references within the entry # ####################################### save_reference_1 _Saveframe_category citation _Citation_full . _Citation_title ; Isolation of high-affinity GTP aptamers from partially structured RNA libraries ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 12185247 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Davis Jonathan H. . 2 Szostak Jack W. . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_name_full . _Journal_volume 99 _Journal_issue 18 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 11616 _Page_last 11621 _Year 2002 _Details . save_ save_reference_2 _Saveframe_category citation _Citation_full . _Citation_title ; Informational Complexity and Functional Activity of RNA Structures ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15099096 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Carothers James M. . 2 Oestreich Stephanie C. . 3 Davis Jonathan H. . 4 Szostak Jack W. . stop_ _Journal_abbreviation 'J. Am. Chem. Soc.' _Journal_name_full . _Journal_volume 126 _Journal_issue 16 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 5130 _Page_last 5137 _Year 2004 _Details . save_ save_reference_3 _Saveframe_category citation _Citation_full . _Citation_title ; Aptamers selected for higher-affinity binding are not more specific for the target ligand ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16771507 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Carothers James M. . 2 Oestreich Stephanie C. . 3 Szostak Jack W. . stop_ _Journal_abbreviation 'J. Am. Chem. Soc.' _Journal_name_full . _Journal_volume 128 _Journal_issue 24 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 7929 _Page_last 7937 _Year 2006 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'RNA-ligand complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label RNA $GTP_9-12_aptamer ligand $entity_GTP Mg $entity_MG stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'specific ligand binding' stop_ _Database_query_date . _Details ; The RNA-aptamer GTP 9-12 in complex with it's cognate ligand GTP in presence of Mg2+. The ligand is nucleoside triphosphate GTP. ; save_ ######################## # Monomeric polymers # ######################## save_GTP_9-12_aptamer _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common GTP_9-12_aptamer _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function 'specific ligand binding' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 39 _Mol_residue_sequence ; GGGAGCAGUUCAGGUAACCA CGUAAGAUACGGUGCUCCC ; loop_ _Residue_seq_code _Residue_label 1 G 2 G 3 G 4 A 5 G 6 C 7 A 8 G 9 U 10 U 11 C 12 A 13 G 14 G 15 U 16 A 17 A 18 C 19 C 20 A 21 C 22 G 23 U 24 A 25 A 26 G 27 A 28 U 29 A 30 C 31 G 32 G 33 U 34 G 35 C 36 U 37 C 38 C 39 C stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_GTP _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_GTP (GUANOSINE-5'-TRIPHOSPHATE)" _BMRB_code GTP _PDB_code GTP _Molecular_mass 523.180 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic yes _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons PG PG P . 0 . ? O1G O1G O . 0 . ? O2G O2G O . 0 . ? O3G O3G O . 0 . ? O3B O3B O . 0 . ? PB PB P . 0 . ? O1B O1B O . 0 . ? O2B O2B O . 0 . ? O3A O3A O . 0 . ? PA PA P . 0 . ? O1A O1A O . 0 . ? O2A O2A O . 0 . ? O5' O5' O . 0 . ? C5' C5' C . 0 . ? C4' C4' C . 0 . ? O4' O4' O . 0 . ? C3' C3' C . 0 . ? O3' O3' O . 0 . ? C2' C2' C . 0 . ? O2' O2' O . 0 . ? C1' C1' C . 0 . ? N9 N9 N . 0 . ? C8 C8 C . 0 . ? N7 N7 N . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? O6 O6 O . 0 . ? N1 N1 N . 0 . ? C2 C2 C . 0 . ? N2 N2 N . 0 . ? N3 N3 N . 0 . ? C4 C4 C . 0 . ? HOG2 HOG2 H . 0 . ? HOG3 HOG3 H . 0 . ? HOB2 HOB2 H . 0 . ? HOA2 HOA2 H . 0 . ? H5' H5' H . 0 . ? H5'' H5'' H . 0 . ? H4' H4' H . 0 . ? H3' H3' H . 0 . ? HO3' HO3' H . 0 . ? H2' H2' H . 0 . ? HO2' HO2' H . 0 . ? H1' H1' H . 0 . ? H8 H8 H . 0 . ? HN1 HN1 H . 0 . ? HN21 HN21 H . 0 . ? HN22 HN22 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name DOUB PG O1G ? ? SING PG O2G ? ? SING PG O3G ? ? SING PG O3B ? ? SING O2G HOG2 ? ? SING O3G HOG3 ? ? SING O3B PB ? ? DOUB PB O1B ? ? SING PB O2B ? ? SING PB O3A ? ? SING O2B HOB2 ? ? SING O3A PA ? ? DOUB PA O1A ? ? SING PA O2A ? ? SING PA O5' ? ? SING O2A HOA2 ? ? SING O5' C5' ? ? SING C5' C4' ? ? SING C5' H5' ? ? SING C5' H5'' ? ? SING C4' O4' ? ? SING C4' C3' ? ? SING C4' H4' ? ? SING O4' C1' ? ? SING C3' O3' ? ? SING C3' C2' ? ? SING C3' H3' ? ? SING O3' HO3' ? ? SING C2' O2' ? ? SING C2' C1' ? ? SING C2' H2' ? ? SING O2' HO2' ? ? SING C1' N9 ? ? SING C1' H1' ? ? SING N9 C8 ? ? SING N9 C4 ? ? DOUB C8 N7 ? ? SING C8 H8 ? ? SING N7 C5 ? ? SING C5 C6 ? ? DOUB C5 C4 ? ? DOUB C6 O6 ? ? SING C6 N1 ? ? SING N1 C2 ? ? SING N1 HN1 ? ? SING C2 N2 ? ? DOUB C2 N3 ? ? SING N2 HN21 ? ? SING N2 HN22 ? ? SING N3 C4 ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ save_MG _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_MG (MAGNESIUM ION)" _BMRB_code MG _PDB_code MG _Molecular_mass 24.305 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons MG MG MG . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_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 $GTP_9-12_aptamer . . . . . . 'SELEX derived sequence' 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 $GTP_9-12_aptamer 'in vitro transcription' . . . . pSP64 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_unlabeled_H2O _Saveframe_category sample _Sample_type solution _Details 'unlabeled GTP 9-12-RNA with unlabeled GTP' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $GTP_9-12_aptamer 0.86 mM 'natural abundance' $entity_GTP 1.29 mM 'natural abundance' $entity_MG 2.5 mM 'natural abundance' 'potassium chloride' 25 mM 'natural abundance' 'potassium phosphate' 25 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_unlabeled_GTP-13C15N_H2O _Saveframe_category sample _Sample_type solution _Details 'unlabeled GTP 9-12-RNA with GTP-13C15N' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $GTP_9-12_aptamer 0.86 mM 'natural abundance' $entity_GTP 1.29 mM '[U-13C; U-15N]' $entity_MG 2.5 mM 'natural abundance' 'potassium chloride' 25 mM 'natural abundance' 'potassium phosphate' 25 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_unlabeled_GTP-13C15N_D2O _Saveframe_category sample _Sample_type solution _Details 'unlabeled GTP 9-12-RNA with GTP-13C15N in D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $GTP_9-12_aptamer 0.86 mM 'natural abundance' $entity_GTP 1.29 mM '[U-13C; U-15N]' $entity_MG 2.5 mM 'natural abundance' 'potassium chloride' 25 mM 'natural abundance' 'potassium phosphate' 25 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_15N_H2O _Saveframe_category sample _Sample_type solution _Details 'uniformely 15N-labeled GTP 9-12-RNA with GTP-15N' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $GTP_9-12_aptamer 1.035 mM [U-15N] $entity_GTP 1.55 mM [U-15N] $entity_MG 2.5 mM 'natural abundance' 'potassium chloride' 25 mM 'natural abundance' 'potassium phosphate' 25 mM 'natural abundance' D2O 5 % 'natural abundance' H2O 95 % 'natural abundance' stop_ save_ save_13C15N-A-C_H2O _Saveframe_category sample _Sample_type solution _Details '13C15N-A/C-labeled GTP 9-12-RNA with unlabeled GTP' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $GTP_9-12_aptamer 1.24 mM '[U-13C; U-15N]-Ade/Cyt' $entity_GTP 1.86 mM 'natural abundance' $entity_MG 2.5 mM 'natural abundance' 'potassium chloride' 25 mM 'natural abundance' 'potassium phosphate' 25 mM 'natural abundance' D2O 5 % 'natural abundance' H2O 95 % 'natural abundance' stop_ save_ save_13C15N-A-C_D2O _Saveframe_category sample _Sample_type solution _Details '13C15N-A/C-labeled GTP 9-12-RNA with unlabeled GTP in D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $GTP_9-12_aptamer 1.24 mM '[U-13C; U-15N]-Ade/Cyt' $entity_GTP 1.86 mM 'natural abundance' $entity_MG 2.5 mM 'natural abundance' 'potassium chloride' 25 mM 'natural abundance' 'potassium phosphate' 25 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_13C15N-G-U_H2O _Saveframe_category sample _Sample_type solution _Details '13C15N-G/U-labeled GTP 9-12-RNA with unlabeled GTP' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $GTP_9-12_aptamer 1.13 mM '[U-13C; U-15N]-Ade/Cyt' $entity_GTP 1.7 mM 'natural abundance' $entity_MG 2.5 mM 'natural abundance' 'potassium chloride' 25 mM 'natural abundance' 'potassium phosphate' 25 mM 'natural abundance' D2O 5 % 'natural abundance' H2O 95 % 'natural abundance' stop_ save_ save_13C15N-G-U_D2O _Saveframe_category sample _Sample_type solution _Details '13C15N-G/U-labeled GTP 9-12-RNA with unlabeled GTP in D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $GTP_9-12_aptamer 1.13 mM '[U-13C; U-15N]-Ade/Cyt' $entity_GTP 1.7 mM 'natural abundance' $entity_MG 2.5 mM 'natural abundance' 'potassium chloride' 25 mM 'natural abundance' 'potassium phosphate' 25 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_13C15N_H2O _Saveframe_category sample _Sample_type solution _Details 'uniformely 13C15N-labeled GTP 9-12-RNA with unlabeled GTP' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $GTP_9-12_aptamer 0.67 mM '[U-13C; U-15N]' $entity_GTP 1.34 mM 'natural abundance' $entity_MG 2.5 mM 'natural abundance' 'potassium chloride' 25 mM 'natural abundance' 'potassium phosphate' 25 mM 'natural abundance' D2O 5 % 'natural abundance' H2O 95 % 'natural abundance' stop_ save_ save_sel_2H_H2O _Saveframe_category sample _Sample_type solution _Details 'selectively deuterated GTP 9-12-RNA with uniformely deuterated GTP' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $GTP_9-12_aptamer 1 mM [U-2H] $entity_GTP 1.5 mM [U-2H] $entity_MG 2.5 mM 'natural abundance' 'potassium chloride' 25 mM 'natural abundance' 'potassium phosphate' 25 mM 'natural abundance' D2O 5 % 'natural abundance' H2O 95 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CARA _Saveframe_category software _Name CARA _Version 1.8.4.2. loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' 'Institute of Molecular Biology and Biophysics, ETH Zuerich' . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details 'RNA repository, Computer Aided Resonance Assignment' save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version '2.1 to 3.5' loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details 'Bruker Biospin software for data aquisition, processing and analysis' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_950_MHz _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 950 _Details . save_ save_800_MHz _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_700_MHz _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_600_MHz _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $15N_H2O save_ save_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $13C15N-G-U_H2O save_ save_2D_1H-15N_HSQC_NH2_only_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC NH2 only' _Sample_label $15N_H2O save_ save_2D_1H-15N_HSQC_NH2_only_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC NH2 only' _Sample_label $13C15N-A-C_H2O save_ save_2D_1H-15N_HSQC_NH2_only_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC NH2 only' _Sample_label $13C15N-G-U_H2O save_ save_2D_1H-13C_HSQC_aromatic_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $13C15N_H2O save_ save_2D_1H-13C_HSQC_aromatic_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $13C15N-A-C_D2O save_ save_2D_1H-13C_HSQC_aromatic_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $13C15N-G-U_H2O save_ save_2D_1H-13C_HSQC_aliphatic_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $13C15N-A-C_D2O save_ save_2D_1H-13C_HSQC_aliphatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $13C15N-G-U_D2O save_ save_3D_HCCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $13C15N-A-C_D2O save_ save_3D_HCCH-TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $13C15N-G-U_D2O save_ save_3D_HCCH-COSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $13C15N-A-C_D2O save_ save_3D_HCCH-COSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $13C15N-G-U_D2O save_ save_2D_1H-1H_NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $unlabeled_H2O save_ save_2D_1H-1H_NOESY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sel_2H_H2O save_ save_3D_1H-13C_NOESY_aromatic_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $13C15N-A-C_H2O save_ save_3D_1H-13C_NOESY_aromatic_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $13C15N-G-U_H2O save_ save_3D_1H-13C_NOESY_aliphatic_19 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $13C15N-A-C_D2O save_ save_3D_1H-13C_NOESY_aliphatic_20 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $13C15N-G-U_D2O save_ save_3D_1H-15N_NOESY_21 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $15N_H2O save_ save_2D_1H-13C_H(N)CO_22 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C H(N)CO' _Sample_label $13C15N-G-U_H2O save_ save_HNN-COSY_23 _Saveframe_category NMR_applied_experiment _Experiment_name HNN-COSY _Sample_label $15N_H2O save_ save_SELLR_HNN-COSY_24 _Saveframe_category NMR_applied_experiment _Experiment_name 'SELLR HNN-COSY' _Sample_label $15N_H2O save_ save_amino_HNN-COSY_25 _Saveframe_category NMR_applied_experiment _Experiment_name 'amino HNN-COSY' _Sample_label $15N_H2O save_ save_2D_lr-1H-13C-HSQC_26 _Saveframe_category NMR_applied_experiment _Experiment_name '2D lr-1H-13C-HSQC' _Sample_label $13C15N-G-U_H2O save_ save_2D_H(C)N_aromatic_27 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H(C)N aromatic' _Sample_label $13C15N-A-C_D2O save_ save_2D_H(C)N_aromatic_28 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H(C)N aromatic' _Sample_label $13C15N-G-U_D2O save_ save_2D_H(C)N_aliphatic_29 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H(C)N aliphatic' _Sample_label $13C15N-A-C_D2O save_ save_2D_H(C)N_aliphatic_30 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H(C)N aliphatic' _Sample_label $13C15N-G-U_D2O save_ save_2D_H5(C5C4N3)H3_31 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H5(C5C4N3)H3' _Sample_label $13C15N-G-U_H2O save_ save_2D_H5(C5C4N4)H4_32 _Saveframe_category NMR_applied_experiment _Experiment_name '2D H5(C5C4N4)H4' _Sample_label $13C15N-A-C_H2O save_ save_TROSY_relayed_HCCH_COSY_33 _Saveframe_category NMR_applied_experiment _Experiment_name 'TROSY relayed HCCH COSY' _Sample_label $13C15N-A-C_D2O save_ save_2D_13C-15N_HSQC_34 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 13C-15N HSQC' _Sample_label $13C15N_H2O save_ save_2D_1H-15N_HSQC_35 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $unlabeled_GTP-13C15N_H2O save_ save_2D_1H-15N_HSQC_NH2_only_36 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC NH2 only' _Sample_label $unlabeled_GTP-13C15N_H2O save_ save_2D_1H-13C_HSQC_aromatic_37 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $unlabeled_GTP-13C15N_H2O save_ save_2D_1H-13C_HSQC_aliphatic_38 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $unlabeled_GTP-13C15N_D2O save_ save_2D_1H-13C-NOESY_aromatic_39 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C-NOESY aromatic' _Sample_label $unlabeled_GTP-13C15N_H2O save_ save_2D_1H-13C-NOESY_aliphatic_40 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C-NOESY aliphatic' _Sample_label $unlabeled_GTP-13C15N_H2O save_ save_2D_HCCH-TOCSY_41 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HCCH-TOCSY' _Sample_label $13C15N-A-C_D2O save_ save_2D_CPMG-NOESY_42 _Saveframe_category NMR_applied_experiment _Experiment_name '2D CPMG-NOESY' _Sample_label $15N_H2O save_ save_2D_1H-15N_HSQC_43 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $15N_H2O save_ save_2D_1H-15N_HSQC_NH2_only_44 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC NH2 only' _Sample_label $15N_H2O save_ save_2D_1H-1H_NOESY_45 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $unlabeled_H2O save_ save_2D_lr-1H-15N-HSQC_46 _Saveframe_category NMR_applied_experiment _Experiment_name '2D lr-1H-15N-HSQC' _Sample_label $15N_H2O save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details '293K, standard NMR-buffer pH 6.3' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 6.3 . pH pressure 1 . atm temperature 293 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details '278 K, standard NMR-buffer pH 6.3' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 6.3 . pH pressure 1 . atm temperature 278 . 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 DSS C 13 'methyl protons' ppm 0.00 na indirect . 'separate tube (no insert) similar to the experimental sample tube' . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . 'separate tube (no insert) similar to the experimental sample tube' . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . 'separate tube (no insert) similar to the experimental sample tube' . 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_chem_shift_list_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aromatic' stop_ loop_ _Sample_label $15N_H2O $13C15N_H2O stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name RNA _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 12.716 0.04 1 2 1 1 G H1' H 5.857 0.04 1 3 1 1 G H2' H 4.955 0.04 1 4 1 1 G H3' H 4.763 0.04 1 5 1 1 G H4' H 4.575 0.04 1 6 1 1 G H5' H 4.493 0.04 2 7 1 1 G H5'' H 4.300 0.04 2 8 1 1 G H8 H 8.176 0.04 1 9 1 1 G C1' C 92.498 0.26 1 10 1 1 G C2 C 156.211 0.26 1 11 1 1 G C2' C 74.994 0.26 1 12 1 1 G C3' C 73.584 0.26 1 13 1 1 G C4' C 82.940 0.26 1 14 1 1 G C5 C 118.756 0.26 1 15 1 1 G C5' C 65.896 0.26 1 16 1 1 G C6 C 162.356 0.26 1 17 1 1 G C8 C 139.172 0.26 1 18 1 1 G N1 N 147.451 0.2 1 19 1 1 G N2 N 75.230 0.2 1 20 1 1 G N7 N 230.910 0.2 1 21 1 1 G N9 N 169.480 0.2 1 22 2 2 G H1 H 12.697 0.04 1 23 2 2 G H1' H 5.963 0.04 1 24 2 2 G H2' H 4.700 0.04 1 25 2 2 G H3' H 4.614 0.04 1 26 2 2 G H4' H 4.558 0.04 1 27 2 2 G H5' H 4.562 0.04 2 28 2 2 G H5'' H 4.222 0.04 2 29 2 2 G H8 H 7.507 0.04 1 30 2 2 G C1' C 92.846 0.26 1 31 2 2 G C2 C 156.328 0.26 1 32 2 2 G C2' C 75.520 0.26 1 33 2 2 G C3' C 72.677 0.26 1 34 2 2 G C4' C 81.968 0.26 1 35 2 2 G C5 C 119.006 0.26 1 36 2 2 G C5' C 65.365 0.26 1 37 2 2 G C6 C 161.525 0.26 1 38 2 2 G C8 C 136.512 0.26 1 39 2 2 G N1 N 147.762 0.2 1 40 2 2 G N2 N 74.167 0.2 1 41 2 2 G N3 N 162.052 0.2 1 42 2 2 G N7 N 233.532 0.2 1 43 2 2 G N9 N 169.910 0.2 1 44 3 3 G H1 H 12.254 0.04 1 45 3 3 G H1' H 5.794 0.04 1 46 3 3 G H2' H 4.621 0.04 1 47 3 3 G H3' H 4.525 0.04 1 48 3 3 G H4' H 4.513 0.04 1 49 3 3 G H5' H 4.524 0.04 2 50 3 3 G H5'' H 4.108 0.04 2 51 3 3 G H8 H 7.168 0.04 1 52 3 3 G C1' C 92.933 0.26 1 53 3 3 G C2 C 155.919 0.26 1 54 3 3 G C2' C 75.356 0.26 1 55 3 3 G C3' C 72.793 0.26 1 56 3 3 G C4' C 81.886 0.26 1 57 3 3 G C5 C 118.836 0.26 1 58 3 3 G C5' C 65.217 0.26 1 59 3 3 G C6 C 161.434 0.26 1 60 3 3 G C8 C 135.959 0.26 1 61 3 3 G N1 N 147.527 0.2 1 62 3 3 G N2 N 74.276 0.2 1 63 3 3 G N3 N 162.432 0.2 1 64 3 3 G N7 N 234.640 0.2 1 65 3 3 G N9 N 169.266 0.2 1 66 4 4 A H1' H 5.961 0.04 1 67 4 4 A H2 H 7.450 0.04 1 68 4 4 A H2' H 4.692 0.04 1 69 4 4 A H3' H 4.597 0.04 1 70 4 4 A H4' H 4.493 0.04 1 71 4 4 A H5' H 4.529 0.04 2 72 4 4 A H5'' H 4.108 0.04 2 73 4 4 A H8 H 7.674 0.04 1 74 4 4 A C1' C 92.907 0.26 1 75 4 4 A C2 C 153.268 0.26 1 76 4 4 A C2' C 75.631 0.26 1 77 4 4 A C3' C 72.892 0.26 1 78 4 4 A C4 C 148.731 0.26 1 79 4 4 A C4' C 81.932 0.26 1 80 4 4 A C5 C 121.319 0.26 1 81 4 4 A C5' C 65.085 0.26 1 82 4 4 A C6 C 157.966 0.26 1 83 4 4 A C8 C 139.132 0.26 1 84 4 4 A N1 N 221.450 0.2 1 85 4 4 A N3 N 212.339 0.2 1 86 4 4 A N6 N 83.141 0.2 1 87 4 4 A N7 N 229.974 0.2 1 88 4 4 A N9 N 170.498 0.2 1 89 5 5 G H1 H 13.308 0.04 1 90 5 5 G H1' H 5.603 0.04 1 91 5 5 G H2' H 4.397 0.04 1 92 5 5 G H3' H 4.370 0.04 1 93 5 5 G H4' H 4.449 0.04 1 94 5 5 G H5' H 4.444 0.04 2 95 5 5 G H5'' H 4.030 0.04 2 96 5 5 G H8 H 7.125 0.04 1 97 5 5 G C1' C 92.679 0.26 1 98 5 5 G C2 C 156.829 0.26 1 99 5 5 G C2' C 75.270 0.26 1 100 5 5 G C3' C 72.910 0.26 1 101 5 5 G C4' C 81.941 0.26 1 102 5 5 G C5 C 118.843 0.26 1 103 5 5 G C5' C 65.713 0.26 1 104 5 5 G C6 C 161.477 0.26 1 105 5 5 G C8 C 135.571 0.26 1 106 5 5 G N1 N 148.433 0.2 1 107 5 5 G N2 N 74.883 0.2 1 108 5 5 G N3 N 161.861 0.2 1 109 5 5 G N7 N 234.206 0.2 1 110 5 5 G N9 N 169.047 0.2 1 111 6 6 C H1' H 5.478 0.04 1 112 6 6 C H2' H 4.592 0.04 1 113 6 6 C H3' H 4.444 0.04 1 114 6 6 C H4' H 4.361 0.04 1 115 6 6 C H5 H 5.126 0.04 1 116 6 6 C H5' H 4.586 0.04 2 117 6 6 C H5'' H 4.029 0.04 2 118 6 6 C H6 H 7.498 0.04 1 119 6 6 C H41 H 8.306 0.04 2 120 6 6 C H42 H 6.771 0.04 2 121 6 6 C C1' C 93.587 0.26 1 122 6 6 C C2' C 75.280 0.26 1 123 6 6 C C3' C 72.127 0.26 1 124 6 6 C C4' C 81.689 0.26 1 125 6 6 C C5 C 97.389 0.26 1 126 6 6 C C5' C 64.017 0.26 1 127 6 6 C C6 C 140.379 0.26 1 128 6 6 C N1 N 150.534 0.2 1 129 6 6 C N3 N 196.423 0.2 1 130 6 6 C N4 N 98.374 0.2 1 131 7 7 A H1' H 5.910 0.04 1 132 7 7 A H2 H 7.309 0.04 1 133 7 7 A H2' H 4.594 0.04 1 134 7 7 A H3' H 4.404 0.04 1 135 7 7 A H4' H 4.460 0.04 1 136 7 7 A H5' H 4.421 0.04 2 137 7 7 A H5'' H 4.075 0.04 2 138 7 7 A H8 H 7.764 0.04 1 139 7 7 A C1' C 93.315 0.26 1 140 7 7 A C2 C 152.626 0.26 1 141 7 7 A C2' C 75.418 0.26 1 142 7 7 A C3' C 72.907 0.26 1 143 7 7 A C4 C 148.884 0.26 1 144 7 7 A C4' C 81.816 0.26 1 145 7 7 A C5 C 120.803 0.26 1 146 7 7 A C5' C 65.923 0.26 1 147 7 7 A C6 C 157.166 0.26 1 148 7 7 A C8 C 138.952 0.26 1 149 7 7 A N1 N 221.157 0.2 1 150 7 7 A N3 N 214.946 0.2 1 151 7 7 A N6 N 81.444 0.2 1 152 7 7 A N7 N 231.352 0.2 1 153 7 7 A N9 N 170.288 0.2 1 154 8 8 G H1' H 5.429 0.04 1 155 8 8 G H2' H 3.829 0.04 1 156 8 8 G H3' H 4.410 0.04 1 157 8 8 G H4' H 4.281 0.04 1 158 8 8 G H5' H 4.363 0.04 2 159 8 8 G H5'' H 3.974 0.04 2 160 8 8 G H8 H 7.094 0.04 1 161 8 8 G H21 H 5.851 0.2 1 162 8 8 G H22 H 5.851 0.2 1 163 8 8 G C1' C 91.714 0.26 1 164 8 8 G C2 C 155.935 0.26 1 165 8 8 G C2' C 76.382 0.26 1 166 8 8 G C3' C 73.149 0.26 1 167 8 8 G C4' C 82.712 0.26 1 168 8 8 G C5 C 118.581 0.26 1 169 8 8 G C5' C 64.879 0.26 1 170 8 8 G C8 C 136.416 0.26 1 171 8 8 G N1 N 146.789 0.2 1 172 8 8 G N2 N 71.914 0.2 1 173 8 8 G N7 N 235.832 0.2 1 174 8 8 G N9 N 170.032 0.2 1 175 9 9 U H1' H 5.242 0.04 1 176 9 9 U H2' H 3.663 0.04 1 177 9 9 U H3 H 10.905 0.04 1 178 9 9 U H3' H 4.367 0.04 1 179 9 9 U H4' H 4.349 0.04 1 180 9 9 U H5 H 4.357 0.04 1 181 9 9 U H5' H 4.092 0.04 2 182 9 9 U H5'' H 3.850 0.04 2 183 9 9 U H6 H 6.976 0.04 1 184 9 9 U C1' C 87.116 0.26 1 185 9 9 U C2 C 152.818 0.26 1 186 9 9 U C2' C 77.045 0.26 1 187 9 9 U C3' C 78.703 0.26 1 188 9 9 U C4 C 167.548 0.26 1 189 9 9 U C4' C 84.352 0.26 1 190 9 9 U C5 C 102.775 0.26 1 191 9 9 U C5' C 68.321 0.26 1 192 9 9 U C6 C 142.038 0.26 1 193 9 9 U N1 N 139.709 0.2 1 194 9 9 U N3 N 158.460 0.2 1 195 10 10 U H1' H 5.247 0.04 1 196 10 10 U H2' H 5.126 0.04 1 197 10 10 U H3 H 14.084 0.04 1 198 10 10 U H3' H 4.794 0.04 1 199 10 10 U H4' H 4.167 0.04 1 200 10 10 U H5 H 5.383 0.04 1 201 10 10 U H5' H 4.498 0.04 2 202 10 10 U H5'' H 4.377 0.04 2 203 10 10 U H6 H 7.662 0.04 1 204 10 10 U HO2' H 9.232 0.04 1 205 10 10 U C1' C 96.950 0.26 1 206 10 10 U C2 C 152.776 0.26 1 207 10 10 U C2' C 75.208 0.26 1 208 10 10 U C3' C 73.023 0.26 1 209 10 10 U C4 C 170.230 0.26 1 210 10 10 U C4' C 86.090 0.26 1 211 10 10 U C5 C 103.182 0.26 1 212 10 10 U C5' C 66.283 0.26 1 213 10 10 U C6 C 141.635 0.26 1 214 10 10 U N1 N 144.880 0.2 1 215 10 10 U N3 N 161.454 0.2 1 216 11 11 C H1' H 5.471 0.04 1 217 11 11 C H2' H 3.910 0.04 1 218 11 11 C H3' H 4.475 0.04 1 219 11 11 C H4' H 4.040 0.04 1 220 11 11 C H5 H 5.992 0.04 1 221 11 11 C H5' H 3.833 0.04 2 222 11 11 C H5'' H 3.687 0.04 2 223 11 11 C H6 H 8.082 0.04 1 224 11 11 C H41 H 7.354 0.04 2 225 11 11 C C1' C 89.459 0.26 1 226 11 11 C C2' C 77.121 0.26 1 227 11 11 C C3' C 78.016 0.26 1 228 11 11 C C4' C 87.445 0.26 1 229 11 11 C C5 C 99.305 0.26 1 230 11 11 C C5' C 67.160 0.26 1 231 11 11 C C6 C 144.741 0.26 1 232 11 11 C N1 N 149.914 0.2 1 233 11 11 C N4 N 94.149 0.2 1 234 12 12 A H1' H 5.006 0.04 1 235 12 12 A H2 H 8.051 0.04 1 236 12 12 A H2' H 3.991 0.04 1 237 12 12 A H3' H 4.848 0.04 1 238 12 12 A H4' H 4.521 0.04 1 239 12 12 A H5' H 3.958 0.04 2 240 12 12 A H5'' H 3.317 0.04 2 241 12 12 A H8 H 8.149 0.04 1 242 12 12 A C1' C 91.358 0.26 1 243 12 12 A C2 C 154.864 0.26 1 244 12 12 A C2' C 79.824 0.26 1 245 12 12 A C3' C 81.386 0.26 1 246 12 12 A C4 C 150.029 0.26 1 247 12 12 A C4' C 86.778 0.26 1 248 12 12 A C5 C 119.180 0.26 1 249 12 12 A C5' C 67.813 0.26 1 250 12 12 A C6 C 156.573 0.26 1 251 12 12 A C8 C 141.486 0.26 1 252 12 12 A N1 N 218.594 0.2 1 253 12 12 A N3 N 217.295 0.2 1 254 12 12 A N6 N 81.283 0.2 1 255 12 12 A N7 N 228.480 0.2 1 256 12 12 A N9 N 170.306 0.2 1 257 13 13 G H1 H 12.753 0.04 1 258 13 13 G H1' H 3.963 0.04 1 259 13 13 G H2' H 4.944 0.04 1 260 13 13 G H3' H 4.381 0.04 1 261 13 13 G H4' H 3.711 0.04 1 262 13 13 G H5' H 3.616 0.04 2 263 13 13 G H5'' H 3.424 0.04 2 264 13 13 G H8 H 7.736 0.04 1 265 13 13 G H21 H 8.255 0.04 2 266 13 13 G H22 H 6.673 0.04 2 267 13 13 G C1' C 87.210 0.26 1 268 13 13 G C2 C 158.464 0.26 1 269 13 13 G C2' C 75.324 0.26 1 270 13 13 G C3' C 79.359 0.26 1 271 13 13 G C4' C 86.183 0.26 1 272 13 13 G C5 C 118.733 0.26 1 273 13 13 G C5' C 66.340 0.26 1 274 13 13 G C6 C 161.409 0.26 1 275 13 13 G C8 C 138.036 0.26 1 276 13 13 G N1 N 150.770 0.2 1 277 13 13 G N2 N 77.366 0.2 1 278 13 13 G N3 N 167.870 0.2 1 279 13 13 G N7 N 230.862 0.2 1 280 13 13 G N9 N 166.813 0.2 1 281 14 14 G H1 H 11.979 0.04 1 282 14 14 G H1' H 5.544 0.04 1 283 14 14 G H2' H 5.219 0.04 1 284 14 14 G H3' H 4.884 0.04 1 285 14 14 G H4' H 4.970 0.04 1 286 14 14 G H5' H 3.581 0.04 2 287 14 14 G H5'' H 3.463 0.04 2 288 14 14 G H8 H 8.050 0.04 1 289 14 14 G H21 H 10.272 0.04 2 290 14 14 G H22 H 7.500 0.04 2 291 14 14 G C1' C 89.059 0.26 1 292 14 14 G C2 C 158.763 0.26 1 293 14 14 G C2' C 73.681 0.26 1 294 14 14 G C3' C 78.841 0.26 1 295 14 14 G C4' C 87.628 0.26 1 296 14 14 G C5 C 117.055 0.26 1 297 14 14 G C5' C 69.060 0.26 1 298 14 14 G C6 C 159.598 0.26 1 299 14 14 G C8 C 137.870 0.26 1 300 14 14 G N1 N 148.201 0.2 1 301 14 14 G N2 N 85.967 0.2 1 302 14 14 G N3 N 158.315 0.2 1 303 14 14 G N7 N 234.144 0.2 1 304 14 14 G N9 N 168.470 0.2 1 305 15 15 U H1' H 6.122 0.04 1 306 15 15 U H2' H 4.034 0.04 1 307 15 15 U H3' H 4.665 0.04 1 308 15 15 U H4' H 4.268 0.04 1 309 15 15 U H5 H 4.231 0.04 1 310 15 15 U H5' H 4.476 0.04 2 311 15 15 U H5'' H 4.359 0.04 2 312 15 15 U H6 H 6.691 0.04 1 313 15 15 U C1' C 93.759 0.26 1 314 15 15 U C2' C 74.082 0.26 1 315 15 15 U C3' C 71.870 0.26 1 316 15 15 U C4' C 80.731 0.26 1 317 15 15 U C5 C 105.880 0.26 1 318 15 15 U C5' C 63.012 0.26 1 319 15 15 U C6 C 143.017 0.26 1 320 15 15 U N1 N 145.822 0.2 1 321 16 16 A H1' H 5.105 0.04 1 322 16 16 A H2 H 8.652 0.04 1 323 16 16 A H2' H 4.119 0.04 1 324 16 16 A H3' H 4.853 0.04 1 325 16 16 A H4' H 4.079 0.04 1 326 16 16 A H5' H 4.317 0.04 2 327 16 16 A H5'' H 4.130 0.04 2 328 16 16 A H8 H 8.141 0.04 1 329 16 16 A H61 H 7.446 0.04 2 330 16 16 A H62 H 7.004 0.04 2 331 16 16 A C1' C 94.264 0.26 1 332 16 16 A C2 C 155.870 0.26 1 333 16 16 A C2' C 74.924 0.26 1 334 16 16 A C3' C 71.822 0.26 1 335 16 16 A C4 C 150.946 0.26 1 336 16 16 A C4' C 82.799 0.26 1 337 16 16 A C5 C 121.243 0.26 1 338 16 16 A C5' C 63.967 0.26 1 339 16 16 A C6 C 158.111 0.26 1 340 16 16 A C8 C 140.257 0.26 1 341 16 16 A N1 N 231.924 0.2 1 342 16 16 A N3 N 209.606 0.2 1 343 16 16 A N6 N 83.881 0.2 1 344 16 16 A N7 N 237.304 0.2 1 345 16 16 A N9 N 169.972 0.2 1 346 17 17 A H1' H 6.207 0.04 1 347 17 17 A H2 H 7.635 0.04 1 348 17 17 A H2' H 5.284 0.04 1 349 17 17 A H3' H 4.938 0.04 1 350 17 17 A H4' H 4.775 0.04 1 351 17 17 A H5' H 4.377 0.04 2 352 17 17 A H5'' H 4.181 0.04 2 353 17 17 A H8 H 8.528 0.04 1 354 17 17 A H61 H 7.420 0.04 2 355 17 17 A C1' C 88.960 0.26 1 356 17 17 A C2 C 153.697 0.26 1 357 17 17 A C2' C 76.184 0.26 1 358 17 17 A C3' C 79.430 0.26 1 359 17 17 A C4 C 152.508 0.26 1 360 17 17 A C4' C 88.721 0.26 1 361 17 17 A C5 C 120.050 0.26 1 362 17 17 A C5' C 68.077 0.26 1 363 17 17 A C6 C 156.660 0.26 1 364 17 17 A C8 C 140.354 0.26 1 365 17 17 A N1 N 228.903 0.2 1 366 17 17 A N3 N 215.861 0.2 1 367 17 17 A N6 N 80.079 0.2 1 368 17 17 A N7 N 233.372 0.2 1 369 17 17 A N9 N 169.034 0.2 1 370 18 18 C H1' H 5.612 0.04 1 371 18 18 C H2' H 4.760 0.04 1 372 18 18 C H3' H 4.556 0.04 1 373 18 18 C H4' H 4.540 0.04 1 374 18 18 C H5 H 5.972 0.04 1 375 18 18 C H5' H 4.716 0.04 2 376 18 18 C H5'' H 4.242 0.04 2 377 18 18 C H6 H 8.407 0.04 1 378 18 18 C H41 H 9.262 0.04 2 379 18 18 C H42 H 7.452 0.04 2 380 18 18 C C1' C 94.063 0.26 1 381 18 18 C C2' C 75.055 0.26 1 382 18 18 C C3' C 71.949 0.26 1 383 18 18 C C4' C 82.403 0.26 1 384 18 18 C C5 C 97.031 0.26 1 385 18 18 C C5' C 63.002 0.26 1 386 18 18 C C6 C 143.869 0.26 1 387 18 18 C N1 N 154.244 0.2 1 388 18 18 C N3 N 198.724 0.2 1 389 18 18 C N4 N 96.172 0.2 1 390 19 19 C H1' H 5.692 0.04 1 391 19 19 C H2' H 4.661 0.04 1 392 19 19 C H3' H 4.531 0.04 1 393 19 19 C H4' H 4.507 0.04 1 394 19 19 C H5 H 5.938 0.04 1 395 19 19 C H5' H 4.585 0.04 2 396 19 19 C H5'' H 4.111 0.04 2 397 19 19 C H6 H 7.800 0.04 1 398 19 19 C H41 H 8.142 0.04 2 399 19 19 C H42 H 5.958 0.04 2 400 19 19 C C1' C 93.894 0.26 1 401 19 19 C C2' C 75.246 0.26 1 402 19 19 C C3' C 71.965 0.26 1 403 19 19 C C4' C 81.660 0.26 1 404 19 19 C C5 C 98.423 0.26 1 405 19 19 C C5' C 64.432 0.26 1 406 19 19 C C6 C 140.432 0.26 1 407 19 19 C N1 N 151.997 0.2 1 408 19 19 C N3 N 197.635 0.2 1 409 19 19 C N4 N 94.414 0.2 1 410 20 20 A H1' H 6.038 0.04 1 411 20 20 A H2 H 6.899 0.04 1 412 20 20 A H2' H 4.670 0.04 1 413 20 20 A H3' H 4.544 0.04 1 414 20 20 A H4' H 4.528 0.04 1 415 20 20 A H5' H 4.636 0.04 2 416 20 20 A H5'' H 4.122 0.04 2 417 20 20 A H8 H 7.851 0.04 1 418 20 20 A H61 H 8.886 0.04 2 419 20 20 A H62 H 6.537 0.04 2 420 20 20 A C1' C 93.487 0.26 1 421 20 20 A C2 C 153.100 0.26 1 422 20 20 A C2' C 75.111 0.26 1 423 20 20 A C3' C 71.883 0.26 1 424 20 20 A C4 C 148.940 0.26 1 425 20 20 A C4' C 82.182 0.26 1 426 20 20 A C5 C 120.837 0.26 1 427 20 20 A C5' C 64.129 0.26 1 428 20 20 A C6 C 157.939 0.26 1 429 20 20 A C8 C 138.072 0.26 1 430 20 20 A N1 N 228.637 0.2 1 431 20 20 A N3 N 211.585 0.2 1 432 20 20 A N6 N 85.021 0.2 1 433 20 20 A N7 N 230.329 0.2 1 434 20 20 A N9 N 170.618 0.2 1 435 21 21 C H1' H 4.955 0.04 1 436 21 21 C H2' H 4.123 0.04 1 437 21 21 C H3' H 4.426 0.04 1 438 21 21 C H4' H 4.364 0.04 1 439 21 21 C H5 H 5.317 0.04 1 440 21 21 C H5' H 4.503 0.04 2 441 21 21 C H5'' H 4.053 0.04 2 442 21 21 C H6 H 7.438 0.04 1 443 21 21 C H41 H 8.826 0.04 2 444 21 21 C H42 H 6.653 0.04 2 445 21 21 C C1' C 93.743 0.26 1 446 21 21 C C2' C 75.080 0.26 1 447 21 21 C C3' C 71.991 0.26 1 448 21 21 C C4' C 81.455 0.26 1 449 21 21 C C5 C 97.225 0.26 1 450 21 21 C C5' C 64.281 0.26 1 451 21 21 C C6 C 140.005 0.26 1 452 21 21 C N1 N 150.522 0.2 1 453 21 21 C N3 N 198.513 0.2 1 454 21 21 C N4 N 96.628 0.2 1 455 22 22 G H1 H 10.066 0.04 1 456 22 22 G H1' H 5.638 0.04 1 457 22 22 G H2' H 4.116 0.04 1 458 22 22 G H3' H 4.690 0.04 1 459 22 22 G H4' H 4.494 0.04 1 460 22 22 G H5' H 4.660 0.04 2 461 22 22 G H5'' H 4.104 0.04 2 462 22 22 G H8 H 7.947 0.04 1 463 22 22 G C1' C 91.460 0.26 1 464 22 22 G C2 C 156.132 0.26 1 465 22 22 G C2' C 75.769 0.26 1 466 22 22 G C3' C 73.078 0.26 1 467 22 22 G C4' C 81.618 0.26 1 468 22 22 G C5 C 118.436 0.26 1 469 22 22 G C5' C 64.395 0.26 1 470 22 22 G C6 C 160.482 0.26 1 471 22 22 G C8 C 137.366 0.26 1 472 22 22 G N1 N 146.104 0.2 1 473 22 22 G N2 N 76.856 0.2 1 474 22 22 G N7 N 234.416 0.2 1 475 22 22 G N9 N 170.034 0.2 1 476 23 23 U H2' H 4.521 0.04 1 477 23 23 U H3 H 11.191 0.04 1 478 23 23 U H3' H 4.205 0.04 1 479 23 23 U H4' H 4.116 0.04 1 480 23 23 U H5 H 4.843 0.04 1 481 23 23 U H5' H 4.468 0.04 2 482 23 23 U H5'' H 3.975 0.04 2 483 23 23 U H6 H 7.317 0.04 1 484 23 23 U C2 C 152.231 0.26 1 485 23 23 U C2' C 73.812 0.26 1 486 23 23 U C3' C 72.679 0.26 1 487 23 23 U C4 C 169.255 0.26 1 488 23 23 U C4' C 81.455 0.26 1 489 23 23 U C5 C 101.195 0.26 1 490 23 23 U C5' C 65.489 0.26 1 491 23 23 U C6 C 142.288 0.26 1 492 23 23 U N1 N 148.514 0.2 1 493 23 23 U N3 N 159.873 0.2 1 494 24 24 A H1' H 5.619 0.04 1 495 24 24 A H2 H 7.705 0.04 1 496 24 24 A H2' H 4.447 0.04 1 497 24 24 A H3' H 4.464 0.04 1 498 24 24 A H4' H 4.220 0.04 1 499 24 24 A H5' H 4.245 0.04 2 500 24 24 A H5'' H 3.929 0.04 2 501 24 24 A H8 H 8.035 0.04 1 502 24 24 A H61 H 6.586 0.2 2 503 24 24 A H62 H 6.586 0.2 2 504 24 24 A C1' C 94.055 0.26 1 505 24 24 A C2 C 153.961 0.26 1 506 24 24 A C2' C 75.448 0.26 1 507 24 24 A C3' C 71.430 0.26 1 508 24 24 A C4 C 149.462 0.26 1 509 24 24 A C4' C 82.780 0.26 1 510 24 24 A C5 C 121.081 0.26 1 511 24 24 A C5' C 63.613 0.26 1 512 24 24 A C6 C 156.835 0.26 1 513 24 24 A C8 C 141.800 0.26 1 514 24 24 A N1 N 224.529 0.2 1 515 24 24 A N3 N 215.245 0.2 1 516 24 24 A N6 N 79.658 0.2 1 517 24 24 A N7 N 229.259 0.2 1 518 24 24 A N9 N 169.447 0.2 1 519 25 25 A H1' H 5.867 0.04 1 520 25 25 A H2 H 8.280 0.04 1 521 25 25 A H2' H 3.888 0.04 1 522 25 25 A H3' H 5.092 0.04 1 523 25 25 A H4' H 4.215 0.04 1 524 25 25 A H5' H 4.220 0.04 2 525 25 25 A H5'' H 4.001 0.04 2 526 25 25 A H8 H 7.749 0.04 1 527 25 25 A C1' C 91.298 0.26 1 528 25 25 A C2 C 155.205 0.26 1 529 25 25 A C2' C 77.796 0.26 1 530 25 25 A C3' C 72.276 0.26 1 531 25 25 A C4' C 83.125 0.26 1 532 25 25 A C5' C 63.965 0.26 1 533 25 25 A C8 C 141.383 0.26 1 534 25 25 A N7 N 222.462 0.2 1 535 25 25 A N9 N 171.415 0.2 1 536 26 26 G H1 H 12.913 0.04 1 537 26 26 G H1' H 5.472 0.04 1 538 26 26 G H2' H 5.011 0.04 1 539 26 26 G H3' H 4.770 0.04 1 540 26 26 G H4' H 4.351 0.04 1 541 26 26 G H5' H 4.044 0.04 2 542 26 26 G H5'' H 3.841 0.04 2 543 26 26 G H8 H 7.880 0.04 1 544 26 26 G H21 H 9.385 0.04 2 545 26 26 G H22 H 7.796 0.04 2 546 26 26 G C1' C 87.424 0.26 1 547 26 26 G C2 C 157.615 0.26 1 548 26 26 G C2' C 72.396 0.26 1 549 26 26 G C3' C 76.321 0.26 1 550 26 26 G C4' C 84.887 0.26 1 551 26 26 G C5 C 117.204 0.26 1 552 26 26 G C5' C 67.821 0.26 1 553 26 26 G C6 C 161.915 0.26 1 554 26 26 G C8 C 138.613 0.26 1 555 26 26 G N1 N 147.593 0.2 1 556 26 26 G N2 N 81.172 0.2 1 557 26 26 G N3 N 162.046 0.2 1 558 26 26 G N7 N 236.872 0.2 1 559 26 26 G N9 N 164.787 0.2 1 560 27 27 A H2 H 8.064 0.04 1 561 27 27 A H8 H 7.516 0.04 1 562 27 27 A C2 C 154.793 0.26 1 563 27 27 A C8 C 138.992 0.26 1 564 27 27 A N1 N 223.606 0.2 1 565 27 27 A N3 N 216.224 0.2 1 566 28 28 U H3' H 4.767 0.04 1 567 28 28 U H4' H 4.612 0.04 1 568 28 28 U H5' H 4.308 0.04 2 569 28 28 U C3' C 77.990 0.26 1 570 28 28 U C4' C 86.467 0.26 1 571 28 28 U C5' C 68.097 0.26 1 572 29 29 A H1' H 5.384 0.04 1 573 29 29 A H2 H 7.993 0.04 1 574 29 29 A H2' H 4.635 0.04 1 575 29 29 A H3' H 4.426 0.04 1 576 29 29 A H4' H 4.460 0.04 1 577 29 29 A H5' H 4.546 0.04 2 578 29 29 A H5'' H 4.207 0.04 2 579 29 29 A H8 H 7.634 0.04 1 580 29 29 A C1' C 93.384 0.26 1 581 29 29 A C2 C 153.746 0.26 1 582 29 29 A C2' C 75.148 0.26 1 583 29 29 A C3' C 72.514 0.26 1 584 29 29 A C4 C 148.717 0.26 1 585 29 29 A C4' C 82.802 0.26 1 586 29 29 A C5 C 121.280 0.26 1 587 29 29 A C5' C 65.029 0.26 1 588 29 29 A C6 C 158.586 0.26 1 589 29 29 A C8 C 139.750 0.26 1 590 29 29 A N1 N 228.916 0.2 1 591 29 29 A N3 N 213.699 0.2 1 592 29 29 A N6 N 84.685 0.2 1 593 29 29 A N7 N 229.414 0.2 1 594 29 29 A N9 N 167.905 0.2 1 595 30 30 C H1' H 5.381 0.04 1 596 30 30 C H2' H 4.343 0.04 1 597 30 30 C H3' H 4.744 0.04 1 598 30 30 C H4' H 4.297 0.04 1 599 30 30 C H5 H 5.228 0.04 1 600 30 30 C H5' H 4.529 0.04 2 601 30 30 C H5'' H 4.108 0.04 2 602 30 30 C H6 H 7.269 0.04 1 603 30 30 C H41 H 8.026 0.04 2 604 30 30 C H42 H 6.482 0.04 2 605 30 30 C C1' C 93.115 0.26 1 606 30 30 C C2' C 76.654 0.26 1 607 30 30 C C3' C 73.286 0.26 1 608 30 30 C C4' C 82.017 0.26 1 609 30 30 C C5 C 97.370 0.26 1 610 30 30 C C5' C 64.158 0.26 1 611 30 30 C C6 C 139.825 0.26 1 612 30 30 C N1 N 150.953 0.2 1 613 30 30 C N3 N 197.880 0.2 1 614 30 30 C N4 N 97.770 0.2 1 615 31 31 G H1 H 11.714 0.04 1 616 31 31 G H1' H 5.989 0.04 1 617 31 31 G H2' H 5.378 0.04 1 618 31 31 G H3' H 5.262 0.04 1 619 31 31 G H4' H 4.837 0.04 1 620 31 31 G H5' H 4.639 0.04 2 621 31 31 G H5'' H 4.527 0.04 2 622 31 31 G H8 H 7.464 0.04 1 623 31 31 G H21 H 8.033 0.04 2 624 31 31 G H22 H 5.481 0.04 2 625 31 31 G C1' C 94.320 0.26 1 626 31 31 G C2 C 155.490 0.26 1 627 31 31 G C2' C 75.060 0.26 1 628 31 31 G C3' C 76.290 0.26 1 629 31 31 G C4' C 85.130 0.26 1 630 31 31 G C5 C 119.282 0.26 1 631 31 31 G C5' C 70.812 0.26 1 632 31 31 G C6 C 161.351 0.26 1 633 31 31 G C8 C 136.723 0.26 1 634 31 31 G N1 N 147.011 0.2 1 635 31 31 G N2 N 73.537 0.2 1 636 31 31 G N3 N 165.613 0.2 1 637 31 31 G N7 N 236.230 0.2 1 638 31 31 G N9 N 165.653 0.2 1 639 32 32 G H1 H 13.146 0.04 1 640 32 32 G H1' H 5.997 0.04 1 641 32 32 G H2' H 4.522 0.04 1 642 32 32 G H3' H 5.072 0.04 1 643 32 32 G H4' H 4.801 0.04 1 644 32 32 G H5' H 4.587 0.04 2 645 32 32 G H5'' H 4.342 0.04 2 646 32 32 G H8 H 7.270 0.04 1 647 32 32 G C1' C 89.287 0.26 1 648 32 32 G C2 C 157.637 0.26 1 649 32 32 G C2' C 77.389 0.26 1 650 32 32 G C3' C 77.936 0.26 1 651 32 32 G C4' C 85.424 0.26 1 652 32 32 G C5 C 116.872 0.26 1 653 32 32 G C5' C 67.657 0.26 1 654 32 32 G C6 C 161.524 0.26 1 655 32 32 G C8 C 137.660 0.26 1 656 32 32 G N1 N 148.208 0.2 1 657 32 32 G N2 N 74.536 0.2 1 658 32 32 G N3 N 161.426 0.2 1 659 32 32 G N7 N 236.917 0.2 1 660 32 32 G N9 N 164.712 0.2 1 661 33 33 U H1' H 5.842 0.04 1 662 33 33 U H2' H 4.840 0.04 1 663 33 33 U H3 H 13.902 0.04 1 664 33 33 U H3' H 4.843 0.04 1 665 33 33 U H4' H 4.709 0.04 1 666 33 33 U H5 H 6.033 0.04 1 667 33 33 U H5' H 4.685 0.04 2 668 33 33 U H5'' H 4.336 0.04 2 669 33 33 U H6 H 8.302 0.04 1 670 33 33 U C1' C 92.830 0.26 1 671 33 33 U C2' C 74.046 0.26 1 672 33 33 U C3' C 74.811 0.26 1 673 33 33 U C4' C 83.429 0.26 1 674 33 33 U C5 C 104.555 0.26 1 675 33 33 U C5' C 66.235 0.26 1 676 33 33 U C6 C 144.402 0.26 1 677 33 33 U N1 N 146.082 0.2 1 678 33 33 U N3 N 164.042 0.2 1 679 34 34 G H1 H 12.376 0.04 1 680 34 34 G H1' H 5.950 0.04 1 681 34 34 G H2' H 4.640 0.04 1 682 34 34 G H3' H 4.640 0.04 1 683 34 34 G H4' H 4.618 0.04 1 684 34 34 G H5' H 4.602 0.04 2 685 34 34 G H5'' H 4.353 0.04 2 686 34 34 G H8 H 8.017 0.04 1 687 34 34 G C1' C 92.820 0.26 1 688 34 34 G C2 C 156.499 0.26 1 689 34 34 G C2' C 75.253 0.26 1 690 34 34 G C3' C 73.315 0.26 1 691 34 34 G C4' C 82.331 0.26 1 692 34 34 G C5 C 118.776 0.26 1 693 34 34 G C5' C 66.134 0.26 1 694 34 34 G C6 C 161.478 0.26 1 695 34 34 G C8 C 137.226 0.26 1 696 34 34 G N1 N 147.574 0.2 1 697 34 34 G N2 N 75.186 0.2 1 698 34 34 G N3 N 162.323 0.2 1 699 34 34 G N7 N 233.730 0.2 1 700 34 34 G N9 N 169.390 0.2 1 701 35 35 C H1' H 5.526 0.04 1 702 35 35 C H2' H 4.369 0.04 1 703 35 35 C H3' H 4.468 0.04 1 704 35 35 C H4' H 4.473 0.04 1 705 35 35 C H5 H 5.291 0.04 1 706 35 35 C H5' H 4.629 0.04 2 707 35 35 C H5'' H 4.139 0.04 2 708 35 35 C H6 H 7.732 0.04 1 709 35 35 C H41 H 8.581 0.04 2 710 35 35 C H42 H 6.914 0.04 2 711 35 35 C C1' C 93.987 0.26 1 712 35 35 C C2' C 75.393 0.26 1 713 35 35 C C3' C 71.753 0.26 1 714 35 35 C C4' C 81.861 0.26 1 715 35 35 C C5 C 97.099 0.26 1 716 35 35 C C5' C 64.367 0.26 1 717 35 35 C C6 C 141.109 0.26 1 718 35 35 C N1 N 151.131 0.2 1 719 35 35 C N3 N 197.427 0.2 1 720 35 35 C N4 N 99.047 0.2 1 721 36 36 U H1' H 5.558 0.04 1 722 36 36 U H2' H 4.537 0.04 1 723 36 36 U H3 H 14.033 0.04 1 724 36 36 U H3' H 4.552 0.04 1 725 36 36 U H4' H 4.455 0.04 1 726 36 36 U H5 H 5.437 0.04 1 727 36 36 U H5' H 4.596 0.04 2 728 36 36 U H5'' H 4.105 0.04 2 729 36 36 U H6 H 7.928 0.04 1 730 36 36 U C1' C 93.723 0.26 1 731 36 36 U C2 C 152.901 0.26 1 732 36 36 U C2' C 75.125 0.26 1 733 36 36 U C3' C 72.101 0.26 1 734 36 36 U C4 C 169.493 0.26 1 735 36 36 U C4' C 81.880 0.26 1 736 36 36 U C5 C 103.254 0.26 1 737 36 36 U C5' C 64.328 0.26 1 738 36 36 U C6 C 142.123 0.26 1 739 36 36 U N1 N 146.795 0.2 1 740 36 36 U N3 N 162.809 0.2 1 741 37 37 C H1' H 5.554 0.04 1 742 37 37 C H2' H 4.338 0.04 1 743 37 37 C H3' H 4.376 0.04 1 744 37 37 C H4' H 4.460 0.04 1 745 37 37 C H5 H 5.668 0.04 1 746 37 37 C H5' H 4.549 0.04 2 747 37 37 C H5'' H 4.095 0.04 2 748 37 37 C H6 H 7.922 0.04 1 749 37 37 C H41 H 8.404 0.04 2 750 37 37 C H42 H 6.957 0.04 2 751 37 37 C C1' C 94.077 0.26 1 752 37 37 C C2' C 75.421 0.26 1 753 37 37 C C3' C 72.028 0.26 1 754 37 37 C C4' C 81.759 0.26 1 755 37 37 C C5 C 97.339 0.26 1 756 37 37 C C5' C 64.649 0.26 1 757 37 37 C C6 C 141.742 0.26 1 758 37 37 C N1 N 151.858 0.2 1 759 37 37 C N3 N 198.416 0.2 1 760 37 37 C N4 N 98.035 0.2 1 761 38 38 C H1' H 5.452 0.04 1 762 38 38 C H2' H 4.194 0.04 1 763 38 38 C H3' H 4.484 0.04 1 764 38 38 C H4' H 4.358 0.04 1 765 38 38 C H5 H 5.472 0.04 1 766 38 38 C H5' H 4.582 0.04 2 767 38 38 C H5'' H 4.031 0.04 2 768 38 38 C H6 H 7.791 0.04 1 769 38 38 C H41 H 8.391 0.04 2 770 38 38 C H42 H 6.884 0.04 2 771 38 38 C C1' C 94.611 0.26 1 772 38 38 C C2' C 75.471 0.26 1 773 38 38 C C3' C 71.984 0.26 1 774 38 38 C C4' C 82.069 0.26 1 775 38 38 C C5 C 97.346 0.26 1 776 38 38 C C5' C 64.261 0.26 1 777 38 38 C C6 C 141.607 0.26 1 778 38 38 C N1 N 151.370 0.2 1 779 38 38 C N3 N 197.434 0.2 1 780 38 38 C N4 N 97.974 0.2 1 781 39 39 C H1' H 6.088 0.04 1 782 39 39 C H2' H 4.631 0.04 1 783 39 39 C H3' H 4.955 0.04 1 784 39 39 C H4' H 4.417 0.04 1 785 39 39 C H5 H 5.488 0.04 1 786 39 39 C H5' H 4.527 0.04 2 787 39 39 C H5'' H 4.092 0.04 2 788 39 39 C H6 H 7.489 0.04 1 789 39 39 C H41 H 8.392 0.04 2 790 39 39 C H42 H 7.044 0.04 2 791 39 39 C C1' C 91.959 0.26 1 792 39 39 C C2' C 85.180 0.26 1 793 39 39 C C3' C 77.887 0.26 1 794 39 39 C C4' C 85.532 0.26 1 795 39 39 C C5 C 98.844 0.26 1 796 39 39 C C5' C 65.640 0.26 1 797 39 39 C C6 C 141.696 0.26 1 798 39 39 C N1 N 150.285 0.2 1 799 39 39 C N3 N 196.417 0.2 1 800 39 39 C N4 N 98.739 0.2 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aromatic' stop_ loop_ _Sample_label $15N_H2O $13C15N_H2O stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name ligand _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 40 1 GTP H1' H 3.871 0.04 1 2 40 1 GTP H1 H 12.905 0.04 1 3 40 1 GTP H2' H 4.042 0.04 1 4 40 1 GTP H3' H 4.269 0.04 1 5 40 1 GTP H4' H 3.642 0.04 1 6 40 1 GTP H5' H 3.884 0.04 2 7 40 1 GTP H5'' H 3.650 0.04 2 8 40 1 GTP H8 H 7.581 0.04 1 9 40 1 GTP H21 H 9.288 0.04 2 10 40 1 GTP H22 H 8.366 0.04 2 11 40 1 GTP C1' C 91.289 0.26 1 12 40 1 GTP C2' C 76.718 0.26 1 13 40 1 GTP C3' C 69.815 0.26 1 14 40 1 GTP C4' C 81.444 0.26 1 15 40 1 GTP C5' C 64.182 0.26 1 16 40 1 GTP C8 C 138.404 0.26 1 17 40 1 GTP N1 N 147.285 0.2 1 18 40 1 GTP N2 N 82.361 0.2 1 19 40 1 GTP N3 N 163.688 0.2 1 20 40 1 GTP N7 N 232.070 0.2 1 21 40 1 GTP N9 N 169.668 0.2 1 stop_ save_