data_53187 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53187 _Entry.Title ; EB1 EBH(191-260) relaxation data ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-05-16 _Entry.Accession_date 2025-05-16 _Entry.Last_release_date 2025-05-22 _Entry.Original_release_date 2025-05-22 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'Relaxation data at 600 and 800 MHz' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Igor Barsukov . L. . 0000-0003-4406-9803 53187 2 Eleanor Hargreaves . . . . 53187 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID heteronucl_NOEs 2 53187 heteronucl_T1_relaxation 2 53187 heteronucl_T2_relaxation 2 53187 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID 'T1 relaxation values' 132 53187 'T2 relaxation values' 132 53187 'heteronuclear NOE values' 132 53187 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2025-12-09 . original BMRB . 53187 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 53188 'EB1 EBH(191-260) bound to MACF peptide, relaxation data' 53187 PDB 6EVI . 53187 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53187 _Citation.ID 1 _Citation.Name 'citation 1' _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 29138501 _Citation.DOI 10.1038/s41598-017-15502-6 _Citation.Full_citation . _Citation.Title ; Targeting SxIP-EB1 interaction: An integrated approach to the discovery of small molecule modulators of dynamic binding sites. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Rep.' _Citation.Journal_name_full 'Scientific reports' _Citation.Journal_volume 7 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2045-2322 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 15533 _Citation.Page_last 15533 _Citation.Year 2017 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 T Almeida T. B. . . 53187 1 2 A Carnell A. J. . . 53187 1 3 I Barsukov I. L. . . 53187 1 4 N Berry N. G. . . 53187 1 stop_ save_ save_citations_2 _Citation.Sf_category citations _Citation.Sf_framecode citations_2 _Citation.Entry_ID 53187 _Citation.ID 2 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI 10.7554/eLife.98063.2 _Citation.Full_citation . _Citation.Title ; Dock-and-lock binding of SxIP ligands is required for stable and selective EB1 interactions ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev eLife _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Teresa Almeida . . . . 53187 2 2 Eleanor Hargreaves . . . . 53187 2 3 Tobias Zech . . . . 53187 2 4 Igor Barsukov . . . . 53187 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53187 _Assembly.ID 1 _Assembly.Name 'Microtubule-associated protein RP/EB family member 1' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 16100 _Assembly.Enzyme_commission_number . _Assembly.Details dimer _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'entity_1, 1' 1 $entity_1 . . yes native no no . . . 53187 1 2 'entity_1, 2' 1 $entity_1 . . yes native no no . . . 53187 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes BMRB 34191 . . 'solution NMR' . . . 53187 1 yes PDB 6EVI . . 'solution NMR' . . . 53187 1 stop_ loop_ _Assembly_interaction.ID _Assembly_interaction.Entity_assembly_ID_1 _Assembly_interaction.Entity_assembly_ID_2 _Assembly_interaction.Mol_interaction_type _Assembly_interaction.Entry_ID _Assembly_interaction.Assembly_ID 1 1 2 'Extremely slow exchange' 53187 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'ligand binding' 53187 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53187 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; DEAAELMQQVNVLKLTVEDL EKERDFYFGKLRNIELICQE NEGENDPVLQRIVDILYATD EGFVIPDEGG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 70 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8049.979 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP Q61166 . Mapre1 . . . . . . . . . . . . . . 53187 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Microtubule binding adaptor protein' 53187 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ASP . 53187 1 2 . GLU . 53187 1 3 . ALA . 53187 1 4 . ALA . 53187 1 5 . GLU . 53187 1 6 . LEU . 53187 1 7 . MET . 53187 1 8 . GLN . 53187 1 9 . GLN . 53187 1 10 . VAL . 53187 1 11 . ASN . 53187 1 12 . VAL . 53187 1 13 . LEU . 53187 1 14 . LYS . 53187 1 15 . LEU . 53187 1 16 . THR . 53187 1 17 . VAL . 53187 1 18 . GLU . 53187 1 19 . ASP . 53187 1 20 . LEU . 53187 1 21 . GLU . 53187 1 22 . LYS . 53187 1 23 . GLU . 53187 1 24 . ARG . 53187 1 25 . ASP . 53187 1 26 . PHE . 53187 1 27 . TYR . 53187 1 28 . PHE . 53187 1 29 . GLY . 53187 1 30 . LYS . 53187 1 31 . LEU . 53187 1 32 . ARG . 53187 1 33 . ASN . 53187 1 34 . ILE . 53187 1 35 . GLU . 53187 1 36 . LEU . 53187 1 37 . ILE . 53187 1 38 . CYS . 53187 1 39 . GLN . 53187 1 40 . GLU . 53187 1 41 . ASN . 53187 1 42 . GLU . 53187 1 43 . GLY . 53187 1 44 . GLU . 53187 1 45 . ASN . 53187 1 46 . ASP . 53187 1 47 . PRO . 53187 1 48 . VAL . 53187 1 49 . LEU . 53187 1 50 . GLN . 53187 1 51 . ARG . 53187 1 52 . ILE . 53187 1 53 . VAL . 53187 1 54 . ASP . 53187 1 55 . ILE . 53187 1 56 . LEU . 53187 1 57 . TYR . 53187 1 58 . ALA . 53187 1 59 . THR . 53187 1 60 . ASP . 53187 1 61 . GLU . 53187 1 62 . GLY . 53187 1 63 . PHE . 53187 1 64 . VAL . 53187 1 65 . ILE . 53187 1 66 . PRO . 53187 1 67 . ASP . 53187 1 68 . GLU . 53187 1 69 . GLY . 53187 1 70 . GLY . 53187 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ASP 1 1 53187 1 . GLU 2 2 53187 1 . ALA 3 3 53187 1 . ALA 4 4 53187 1 . GLU 5 5 53187 1 . LEU 6 6 53187 1 . MET 7 7 53187 1 . GLN 8 8 53187 1 . GLN 9 9 53187 1 . VAL 10 10 53187 1 . ASN 11 11 53187 1 . VAL 12 12 53187 1 . LEU 13 13 53187 1 . LYS 14 14 53187 1 . LEU 15 15 53187 1 . THR 16 16 53187 1 . VAL 17 17 53187 1 . GLU 18 18 53187 1 . ASP 19 19 53187 1 . LEU 20 20 53187 1 . GLU 21 21 53187 1 . LYS 22 22 53187 1 . GLU 23 23 53187 1 . ARG 24 24 53187 1 . ASP 25 25 53187 1 . PHE 26 26 53187 1 . TYR 27 27 53187 1 . PHE 28 28 53187 1 . GLY 29 29 53187 1 . LYS 30 30 53187 1 . LEU 31 31 53187 1 . ARG 32 32 53187 1 . ASN 33 33 53187 1 . ILE 34 34 53187 1 . GLU 35 35 53187 1 . LEU 36 36 53187 1 . ILE 37 37 53187 1 . CYS 38 38 53187 1 . GLN 39 39 53187 1 . GLU 40 40 53187 1 . ASN 41 41 53187 1 . GLU 42 42 53187 1 . GLY 43 43 53187 1 . GLU 44 44 53187 1 . ASN 45 45 53187 1 . ASP 46 46 53187 1 . PRO 47 47 53187 1 . VAL 48 48 53187 1 . LEU 49 49 53187 1 . GLN 50 50 53187 1 . ARG 51 51 53187 1 . ILE 52 52 53187 1 . VAL 53 53 53187 1 . ASP 54 54 53187 1 . ILE 55 55 53187 1 . LEU 56 56 53187 1 . TYR 57 57 53187 1 . ALA 58 58 53187 1 . THR 59 59 53187 1 . ASP 60 60 53187 1 . GLU 61 61 53187 1 . GLY 62 62 53187 1 . PHE 63 63 53187 1 . VAL 64 64 53187 1 . ILE 65 65 53187 1 . PRO 66 66 53187 1 . ASP 67 67 53187 1 . GLU 68 68 53187 1 . GLY 69 69 53187 1 . GLY 70 70 53187 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 53187 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . Mapre1 . 53187 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 53187 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . plasmid . . pOPINS . . . 53187 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53187 _Sample.ID 1 _Sample.Name 'sample 1' _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM [U-13C; U-15N] End binding protein 1 (EB1), 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'End binding protein 1 (EB1)' [U-15N] . . 1 $entity_1 . . 0.63 . . mM . . . . 53187 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 53187 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'sample conditions 1' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 53187 1 pH 6.5 . pH 53187 1 pressure 1 . atm 53187 1 temperature 298 . K 53187 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53187 _Software.ID 1 _Software.Type . _Software.Name Relax _Software.Version 5.0.0 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'relaxation analysis' . 53187 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 53187 _Software.ID 2 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 53187 2 'peak picking' . 53187 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 53187 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'NMR spectrometer 1' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 53187 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 'NMR spectrometer 2' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 53187 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53187 1 2 '2D 1H-15N T1-HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53187 1 3 '2D 1H-15N T2-HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53187 1 4 '2D 1H-15N heteronoe' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53187 1 5 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 53187 1 6 '2D 1H-15N T1-HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 53187 1 7 '2D 1H-15N T2-HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 53187 1 8 '2D 1H-15N heteronoe' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 53187 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronucl_NOEs_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronucl_NOEs_1 _Heteronucl_NOE_list.Entry_ID 53187 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Name '15N NOE at 600 MHz' _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 1.0 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 8 '2D 1H-15N heteronoe' . . . 53187 1 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 2 $software_2 . . 53187 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 3 3 ALA N N 15 . 1 1 3 3 ALA H H 1 0.4546 0.0106 . . . . . . . . . . 53187 1 2 . 1 1 4 4 ALA N N 15 . 1 1 4 4 ALA H H 1 0.5757 0.0114 . . . . . . . . . . 53187 1 3 . 1 1 5 5 GLU N N 15 . 1 1 5 5 GLU H H 1 0.5927 0.0166 . . . . . . . . . . 53187 1 4 . 1 1 6 6 LEU N N 15 . 1 1 6 6 LEU H H 1 0.6909 0.0239 . . . . . . . . . . 53187 1 5 . 1 1 7 7 MET N N 15 . 1 1 7 7 MET H H 1 0.6754 0.0183 . . . . . . . . . . 53187 1 6 . 1 1 8 8 GLN N N 15 . 1 1 8 8 GLN H H 1 0.7157 0.0171 . . . . . . . . . . 53187 1 7 . 1 1 9 9 GLN N N 15 . 1 1 9 9 GLN H H 1 0.7754 0.0207 . . . . . . . . . . 53187 1 8 . 1 1 10 10 VAL N N 15 . 1 1 10 10 VAL H H 1 0.7901 0.0237 . . . . . . . . . . 53187 1 9 . 1 1 11 11 ASN N N 15 . 1 1 11 11 ASN H H 1 0.7384 0.0194 . . . . . . . . . . 53187 1 10 . 1 1 12 12 VAL N N 15 . 1 1 12 12 VAL H H 1 0.6965 0.0159 . . . . . . . . . . 53187 1 11 . 1 1 13 13 LEU N N 15 . 1 1 13 13 LEU H H 1 0.8359 0.0310 . . . . . . . . . . 53187 1 12 . 1 1 14 14 LYS N N 15 . 1 1 14 14 LYS H H 1 0.7934 0.0267 . . . . . . . . . . 53187 1 13 . 1 1 15 15 LEU N N 15 . 1 1 15 15 LEU H H 1 0.8205 0.0210 . . . . . . . . . . 53187 1 14 . 1 1 16 16 THR N N 15 . 1 1 16 16 THR H H 1 0.8052 0.0248 . . . . . . . . . . 53187 1 15 . 1 1 17 17 VAL N N 15 . 1 1 17 17 VAL H H 1 0.7879 0.0245 . . . . . . . . . . 53187 1 16 . 1 1 18 18 GLU N N 15 . 1 1 18 18 GLU H H 1 0.7642 0.0209 . . . . . . . . . . 53187 1 17 . 1 1 19 19 ASP N N 15 . 1 1 19 19 ASP H H 1 0.7786 0.0180 . . . . . . . . . . 53187 1 18 . 1 1 20 20 LEU N N 15 . 1 1 20 20 LEU H H 1 0.8601 0.0316 . . . . . . . . . . 53187 1 19 . 1 1 21 21 GLU N N 15 . 1 1 21 21 GLU H H 1 0.9080 0.0289 . . . . . . . . . . 53187 1 20 . 1 1 22 22 LYS N N 15 . 1 1 22 22 LYS H H 1 0.8581 0.0228 . . . . . . . . . . 53187 1 21 . 1 1 23 23 GLU N N 15 . 1 1 23 23 GLU H H 1 0.8470 0.0233 . . . . . . . . . . 53187 1 22 . 1 1 24 24 ARG N N 15 . 1 1 24 24 ARG H H 1 0.8873 0.0329 . . . . . . . . . . 53187 1 23 . 1 1 25 25 ASP N N 15 . 1 1 25 25 ASP H H 1 0.8390 0.0293 . . . . . . . . . . 53187 1 24 . 1 1 26 26 PHE N N 15 . 1 1 26 26 PHE H H 1 0.8367 0.0262 . . . . . . . . . . 53187 1 25 . 1 1 27 27 TYR N N 15 . 1 1 27 27 TYR H H 1 0.9038 0.0266 . . . . . . . . . . 53187 1 26 . 1 1 28 28 PHE N N 15 . 1 1 28 28 PHE H H 1 0.8192 0.0292 . . . . . . . . . . 53187 1 27 . 1 1 29 29 GLY N N 15 . 1 1 29 29 GLY H H 1 0.8132 0.0280 . . . . . . . . . . 53187 1 28 . 1 1 30 30 LYS N N 15 . 1 1 30 30 LYS H H 1 0.8049 0.0266 . . . . . . . . . . 53187 1 29 . 1 1 31 31 LEU N N 15 . 1 1 31 31 LEU H H 1 0.9107 0.0379 . . . . . . . . . . 53187 1 30 . 1 1 32 32 ARG N N 15 . 1 1 32 32 ARG H H 1 0.8771 0.0238 . . . . . . . . . . 53187 1 31 . 1 1 33 33 ASN N N 15 . 1 1 33 33 ASN H H 1 0.7578 0.0202 . . . . . . . . . . 53187 1 32 . 1 1 34 34 ILE N N 15 . 1 1 34 34 ILE H H 1 0.7949 0.0263 . . . . . . . . . . 53187 1 33 . 1 1 35 35 GLU N N 15 . 1 1 35 35 GLU H H 1 0.8268 0.0284 . . . . . . . . . . 53187 1 34 . 1 1 36 36 LEU N N 15 . 1 1 36 36 LEU H H 1 0.8190 0.0223 . . . . . . . . . . 53187 1 35 . 1 1 37 37 ILE N N 15 . 1 1 37 37 ILE H H 1 0.7068 0.0238 . . . . . . . . . . 53187 1 36 . 1 1 38 38 CYS N N 15 . 1 1 38 38 CYS H H 1 0.8646 0.0267 . . . . . . . . . . 53187 1 37 . 1 1 39 39 GLN N N 15 . 1 1 39 39 GLN H H 1 0.8007 0.0197 . . . . . . . . . . 53187 1 38 . 1 1 40 40 GLU N N 15 . 1 1 40 40 GLU H H 1 0.6836 0.0151 . . . . . . . . . . 53187 1 39 . 1 1 41 41 ASN N N 15 . 1 1 41 41 ASN H H 1 0.6816 0.0182 . . . . . . . . . . 53187 1 40 . 1 1 42 42 GLU N N 15 . 1 1 42 42 GLU H H 1 0.5439 0.0091 . . . . . . . . . . 53187 1 41 . 1 1 43 43 GLY N N 15 . 1 1 43 43 GLY H H 1 0.4951 0.0119 . . . . . . . . . . 53187 1 42 . 1 1 44 44 GLU N N 15 . 1 1 44 44 GLU H H 1 0.5382 0.0120 . . . . . . . . . . 53187 1 43 . 1 1 45 45 ASN N N 15 . 1 1 45 45 ASN H H 1 0.4804 0.0098 . . . . . . . . . . 53187 1 44 . 1 1 46 46 ASP N N 15 . 1 1 46 46 ASP H H 1 0.5729 0.0096 . . . . . . . . . . 53187 1 45 . 1 1 48 48 VAL N N 15 . 1 1 48 48 VAL H H 1 0.7106 0.0207 . . . . . . . . . . 53187 1 46 . 1 1 49 49 LEU N N 15 . 1 1 49 49 LEU H H 1 0.6777 0.0282 . . . . . . . . . . 53187 1 47 . 1 1 50 50 GLN N N 15 . 1 1 50 50 GLN H H 1 0.8372 0.0209 . . . . . . . . . . 53187 1 48 . 1 1 51 51 ARG N N 15 . 1 1 51 51 ARG H H 1 0.7102 0.0205 . . . . . . . . . . 53187 1 49 . 1 1 52 52 ILE N N 15 . 1 1 52 52 ILE H H 1 0.8232 0.0311 . . . . . . . . . . 53187 1 50 . 1 1 53 53 VAL N N 15 . 1 1 53 53 VAL H H 1 0.8792 0.0272 . . . . . . . . . . 53187 1 51 . 1 1 54 54 ASP N N 15 . 1 1 54 54 ASP H H 1 0.8375 0.0195 . . . . . . . . . . 53187 1 52 . 1 1 55 55 ILE N N 15 . 1 1 55 55 ILE H H 1 0.8109 0.0263 . . . . . . . . . . 53187 1 53 . 1 1 56 56 LEU N N 15 . 1 1 56 56 LEU H H 1 0.7830 0.0295 . . . . . . . . . . 53187 1 54 . 1 1 57 57 TYR N N 15 . 1 1 57 57 TYR H H 1 0.7772 0.0238 . . . . . . . . . . 53187 1 55 . 1 1 58 58 ALA N N 15 . 1 1 58 58 ALA H H 1 0.7018 0.0113 . . . . . . . . . . 53187 1 56 . 1 1 59 59 THR N N 15 . 1 1 59 59 THR H H 1 0.6157 0.0180 . . . . . . . . . . 53187 1 57 . 1 1 60 60 ASP N N 15 . 1 1 60 60 ASP H H 1 0.3487 0.0078 . . . . . . . . . . 53187 1 58 . 1 1 61 61 GLU N N 15 . 1 1 61 61 GLU H H 1 0.2906 0.0046 . . . . . . . . . . 53187 1 59 . 1 1 62 62 GLY N N 15 . 1 1 62 62 GLY H H 1 0.1899 0.0043 . . . . . . . . . . 53187 1 60 . 1 1 63 63 PHE N N 15 . 1 1 63 63 PHE H H 1 0.1497 0.0036 . . . . . . . . . . 53187 1 61 . 1 1 64 64 VAL N N 15 . 1 1 64 64 VAL H H 1 -0.1435 0.0037 . . . . . . . . . . 53187 1 62 . 1 1 65 65 ILE N N 15 . 1 1 65 65 ILE H H 1 -0.3419 0.0034 . . . . . . . . . . 53187 1 63 . 1 1 67 67 ASP N N 15 . 1 1 67 67 ASP H H 1 -0.5223 0.0028 . . . . . . . . . . 53187 1 64 . 1 1 68 68 GLU N N 15 . 1 1 68 68 GLU H H 1 -0.7237 0.0031 . . . . . . . . . . 53187 1 65 . 1 1 69 69 GLY N N 15 . 1 1 69 69 GLY H H 1 -1.2392 0.0045 . . . . . . . . . . 53187 1 66 . 1 1 70 70 GLY N N 15 . 1 1 70 70 GLY H H 1 -2.6398 0.0069 . . . . . . . . . . 53187 1 stop_ save_ save_heteronucl_NOEs_2 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronucl_NOEs_2 _Heteronucl_NOE_list.Entry_ID 53187 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Name '15N NOE at 600 MHz' _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 800 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 1.0 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 8 '2D 1H-15N heteronoe' . . . 53187 2 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 2 $software_2 . . 53187 2 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 3 3 ALA N N 15 . 1 1 3 3 ALA H H 1 0.5140 0.0067 . . . . . . . . . . 53187 2 2 . 1 1 4 4 ALA N N 15 . 1 1 4 4 ALA H H 1 0.6188 0.0079 . . . . . . . . . . 53187 2 3 . 1 1 5 5 GLU N N 15 . 1 1 5 5 GLU H H 1 0.6234 0.0112 . . . . . . . . . . 53187 2 4 . 1 1 6 6 LEU N N 15 . 1 1 6 6 LEU H H 1 0.6202 0.0144 . . . . . . . . . . 53187 2 5 . 1 1 7 7 MET N N 15 . 1 1 7 7 MET H H 1 0.7079 0.0142 . . . . . . . . . . 53187 2 6 . 1 1 8 8 GLN N N 15 . 1 1 8 8 GLN H H 1 0.6346 0.0103 . . . . . . . . . . 53187 2 7 . 1 1 9 9 GLN N N 15 . 1 1 9 9 GLN H H 1 0.6341 0.0127 . . . . . . . . . . 53187 2 8 . 1 1 10 10 VAL N N 15 . 1 1 10 10 VAL H H 1 0.6864 0.0149 . . . . . . . . . . 53187 2 9 . 1 1 11 11 ASN N N 15 . 1 1 11 11 ASN H H 1 0.7313 0.0139 . . . . . . . . . . 53187 2 10 . 1 1 12 12 VAL N N 15 . 1 1 12 12 VAL H H 1 0.6726 0.0139 . . . . . . . . . . 53187 2 11 . 1 1 13 13 LEU N N 15 . 1 1 13 13 LEU H H 1 0.8206 0.0222 . . . . . . . . . . 53187 2 12 . 1 1 14 14 LYS N N 15 . 1 1 14 14 LYS H H 1 0.7697 0.0174 . . . . . . . . . . 53187 2 13 . 1 1 15 15 LEU N N 15 . 1 1 15 15 LEU H H 1 0.7893 0.0145 . . . . . . . . . . 53187 2 14 . 1 1 16 16 THR N N 15 . 1 1 16 16 THR H H 1 0.7749 0.0165 . . . . . . . . . . 53187 2 15 . 1 1 17 17 VAL N N 15 . 1 1 17 17 VAL H H 1 0.8185 0.0212 . . . . . . . . . . 53187 2 16 . 1 1 18 18 GLU N N 15 . 1 1 18 18 GLU H H 1 0.8160 0.0149 . . . . . . . . . . 53187 2 17 . 1 1 19 19 ASP N N 15 . 1 1 19 19 ASP H H 1 0.8640 0.0144 . . . . . . . . . . 53187 2 18 . 1 1 20 20 LEU N N 15 . 1 1 20 20 LEU H H 1 0.8402 0.0204 . . . . . . . . . . 53187 2 19 . 1 1 21 21 GLU N N 15 . 1 1 21 21 GLU H H 1 0.8809 0.0206 . . . . . . . . . . 53187 2 20 . 1 1 22 22 LYS N N 15 . 1 1 22 22 LYS H H 1 0.7588 0.0133 . . . . . . . . . . 53187 2 21 . 1 1 23 23 GLU N N 15 . 1 1 23 23 GLU H H 1 0.7661 0.0153 . . . . . . . . . . 53187 2 22 . 1 1 24 24 ARG N N 15 . 1 1 24 24 ARG H H 1 0.8416 0.0243 . . . . . . . . . . 53187 2 23 . 1 1 25 25 ASP N N 15 . 1 1 25 25 ASP H H 1 0.9079 0.0225 . . . . . . . . . . 53187 2 24 . 1 1 26 26 PHE N N 15 . 1 1 26 26 PHE H H 1 0.8094 0.0183 . . . . . . . . . . 53187 2 25 . 1 1 27 27 TYR N N 15 . 1 1 27 27 TYR H H 1 0.9068 0.0186 . . . . . . . . . . 53187 2 26 . 1 1 28 28 PHE N N 15 . 1 1 28 28 PHE H H 1 0.9595 0.0240 . . . . . . . . . . 53187 2 27 . 1 1 29 29 GLY N N 15 . 1 1 29 29 GLY H H 1 0.8176 0.0201 . . . . . . . . . . 53187 2 28 . 1 1 30 30 LYS N N 15 . 1 1 30 30 LYS H H 1 0.7670 0.0164 . . . . . . . . . . 53187 2 29 . 1 1 31 31 LEU N N 15 . 1 1 31 31 LEU H H 1 0.7836 0.0213 . . . . . . . . . . 53187 2 30 . 1 1 32 32 ARG N N 15 . 1 1 32 32 ARG H H 1 0.7717 0.0146 . . . . . . . . . . 53187 2 31 . 1 1 33 33 ASN N N 15 . 1 1 33 33 ASN H H 1 0.8335 0.0152 . . . . . . . . . . 53187 2 32 . 1 1 34 34 ILE N N 15 . 1 1 34 34 ILE H H 1 0.7898 0.0267 . . . . . . . . . . 53187 2 33 . 1 1 35 35 GLU N N 15 . 1 1 35 35 GLU H H 1 0.8055 0.0190 . . . . . . . . . . 53187 2 34 . 1 1 36 36 LEU N N 15 . 1 1 36 36 LEU H H 1 0.7592 0.0151 . . . . . . . . . . 53187 2 35 . 1 1 37 37 ILE N N 15 . 1 1 37 37 ILE H H 1 0.6975 0.0157 . . . . . . . . . . 53187 2 36 . 1 1 38 38 CYS N N 15 . 1 1 38 38 CYS H H 1 0.8500 0.0195 . . . . . . . . . . 53187 2 37 . 1 1 39 39 GLN N N 15 . 1 1 39 39 GLN H H 1 0.7639 0.0127 . . . . . . . . . . 53187 2 38 . 1 1 40 40 GLU N N 15 . 1 1 40 40 GLU H H 1 0.7282 0.0107 . . . . . . . . . . 53187 2 39 . 1 1 41 41 ASN N N 15 . 1 1 41 41 ASN H H 1 0.6212 0.0109 . . . . . . . . . . 53187 2 40 . 1 1 42 42 GLU N N 15 . 1 1 42 42 GLU H H 1 0.5817 0.0058 . . . . . . . . . . 53187 2 41 . 1 1 43 43 GLY N N 15 . 1 1 43 43 GLY H H 1 0.5445 0.0077 . . . . . . . . . . 53187 2 42 . 1 1 44 44 GLU N N 15 . 1 1 44 44 GLU H H 1 0.5507 0.0097 . . . . . . . . . . 53187 2 43 . 1 1 45 45 ASN N N 15 . 1 1 45 45 ASN H H 1 0.5803 0.0063 . . . . . . . . . . 53187 2 44 . 1 1 46 46 ASP N N 15 . 1 1 46 46 ASP H H 1 0.5852 0.0065 . . . . . . . . . . 53187 2 45 . 1 1 48 48 VAL N N 15 . 1 1 48 48 VAL H H 1 0.6769 0.0137 . . . . . . . . . . 53187 2 46 . 1 1 49 49 LEU N N 15 . 1 1 49 49 LEU H H 1 0.7501 0.0213 . . . . . . . . . . 53187 2 47 . 1 1 50 50 GLN N N 15 . 1 1 50 50 GLN H H 1 0.7229 0.0139 . . . . . . . . . . 53187 2 48 . 1 1 51 51 ARG N N 15 . 1 1 51 51 ARG H H 1 0.8091 0.0148 . . . . . . . . . . 53187 2 49 . 1 1 52 52 ILE N N 15 . 1 1 52 52 ILE H H 1 0.8250 0.0269 . . . . . . . . . . 53187 2 50 . 1 1 53 53 VAL N N 15 . 1 1 53 53 VAL H H 1 0.8403 0.0194 . . . . . . . . . . 53187 2 51 . 1 1 54 54 ASP N N 15 . 1 1 54 54 ASP H H 1 0.8964 0.0143 . . . . . . . . . . 53187 2 52 . 1 1 55 55 ILE N N 15 . 1 1 55 55 ILE H H 1 0.8512 0.0174 . . . . . . . . . . 53187 2 53 . 1 1 56 56 LEU N N 15 . 1 1 56 56 LEU H H 1 0.8892 0.0241 . . . . . . . . . . 53187 2 54 . 1 1 57 57 TYR N N 15 . 1 1 57 57 TYR H H 1 0.7800 0.0158 . . . . . . . . . . 53187 2 55 . 1 1 58 58 ALA N N 15 . 1 1 58 58 ALA H H 1 0.6991 0.0063 . . . . . . . . . . 53187 2 56 . 1 1 59 59 THR N N 15 . 1 1 59 59 THR H H 1 0.5773 0.0104 . . . . . . . . . . 53187 2 57 . 1 1 60 60 ASP N N 15 . 1 1 60 60 ASP H H 1 0.3879 0.0044 . . . . . . . . . . 53187 2 58 . 1 1 61 61 GLU N N 15 . 1 1 61 61 GLU H H 1 0.3129 0.0025 . . . . . . . . . . 53187 2 59 . 1 1 62 62 GLY N N 15 . 1 1 62 62 GLY H H 1 0.3167 0.0024 . . . . . . . . . . 53187 2 60 . 1 1 63 63 PHE N N 15 . 1 1 63 63 PHE H H 1 0.3222 0.0021 . . . . . . . . . . 53187 2 61 . 1 1 64 64 VAL N N 15 . 1 1 64 64 VAL H H 1 0.1529 0.0021 . . . . . . . . . . 53187 2 62 . 1 1 65 65 ILE N N 15 . 1 1 65 65 ILE H H 1 0.1868 0.0018 . . . . . . . . . . 53187 2 63 . 1 1 67 67 ASP N N 15 . 1 1 67 67 ASP H H 1 -0.0035 0.0012 . . . . . . . . . . 53187 2 64 . 1 1 68 68 GLU N N 15 . 1 1 68 68 GLU H H 1 -0.4139 0.0013 . . . . . . . . . . 53187 2 65 . 1 1 69 69 GLY N N 15 . 1 1 69 69 GLY H H 1 -0.6743 0.0017 . . . . . . . . . . 53187 2 66 . 1 1 70 70 GLY N N 15 . 1 1 70 70 GLY H H 1 -1.8296 0.0024 . . . . . . . . . . 53187 2 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronucl_T1_relaxation_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronucl_T1_relaxation_1 _Heteronucl_T1_list.Entry_ID 53187 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Name '15N T1 at 600 MHz' _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 6 '2D 1H-15N T1-HSQC' . . . 53187 1 stop_ loop_ _Heteronucl_T1_software.Software_ID _Heteronucl_T1_software.Software_label _Heteronucl_T1_software.Method_ID _Heteronucl_T1_software.Method_label _Heteronucl_T1_software.Entry_ID _Heteronucl_T1_software.Heteronucl_T1_list_ID 2 $software_2 . . 53187 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 3 3 ALA N N 15 1.1276 0.0258 . . . . . 53187 1 2 . 1 1 4 4 ALA N N 15 1.2176 0.0176 . . . . . 53187 1 3 . 1 1 5 5 GLU N N 15 1.2133 0.0265 . . . . . 53187 1 4 . 1 1 6 6 LEU N N 15 1.4011 0.0353 . . . . . 53187 1 5 . 1 1 7 7 MET N N 15 1.2197 0.0235 . . . . . 53187 1 6 . 1 1 8 8 GLN N N 15 1.2142 0.0227 . . . . . 53187 1 7 . 1 1 9 9 GLN N N 15 1.3065 0.0420 . . . . . 53187 1 8 . 1 1 10 10 VAL N N 15 1.3168 0.0156 . . . . . 53187 1 9 . 1 1 11 11 ASN N N 15 1.2461 0.0144 . . . . . 53187 1 10 . 1 1 12 12 VAL N N 15 1.1046 0.0517 . . . . . 53187 1 11 . 1 1 13 13 LEU N N 15 1.2441 0.0351 . . . . . 53187 1 12 . 1 1 14 14 LYS N N 15 1.2658 0.0133 . . . . . 53187 1 13 . 1 1 15 15 LEU N N 15 1.2173 0.0273 . . . . . 53187 1 14 . 1 1 16 16 THR N N 15 1.3432 0.0305 . . . . . 53187 1 15 . 1 1 17 17 VAL N N 15 1.1480 0.0373 . . . . . 53187 1 16 . 1 1 18 18 GLU N N 15 1.2780 0.0198 . . . . . 53187 1 17 . 1 1 19 19 ASP N N 15 1.2910 0.0283 . . . . . 53187 1 18 . 1 1 20 20 LEU N N 15 1.3805 0.0436 . . . . . 53187 1 19 . 1 1 21 21 GLU N N 15 1.3439 0.0477 . . . . . 53187 1 20 . 1 1 22 22 LYS N N 15 1.2531 0.0286 . . . . . 53187 1 21 . 1 1 23 23 GLU N N 15 1.2731 0.0182 . . . . . 53187 1 22 . 1 1 24 24 ARG N N 15 1.3484 0.0345 . . . . . 53187 1 23 . 1 1 25 25 ASP N N 15 1.2191 0.0522 . . . . . 53187 1 24 . 1 1 26 26 PHE N N 15 1.1945 0.0146 . . . . . 53187 1 25 . 1 1 27 27 TYR N N 15 1.2832 0.0349 . . . . . 53187 1 26 . 1 1 28 28 PHE N N 15 1.3024 0.0404 . . . . . 53187 1 27 . 1 1 29 29 GLY N N 15 1.1176 0.0377 . . . . . 53187 1 28 . 1 1 30 30 LYS N N 15 1.2668 0.0374 . . . . . 53187 1 29 . 1 1 31 31 LEU N N 15 1.2933 0.0437 . . . . . 53187 1 30 . 1 1 32 32 ARG N N 15 1.1986 0.0289 . . . . . 53187 1 31 . 1 1 33 33 ASN N N 15 1.1527 0.0295 . . . . . 53187 1 32 . 1 1 34 34 ILE N N 15 1.1056 0.0297 . . . . . 53187 1 33 . 1 1 35 35 GLU N N 15 1.2618 0.0315 . . . . . 53187 1 34 . 1 1 36 36 LEU N N 15 1.2878 0.0602 . . . . . 53187 1 35 . 1 1 37 37 ILE N N 15 1.2418 0.0256 . . . . . 53187 1 36 . 1 1 38 38 CYS N N 15 1.2276 0.0422 . . . . . 53187 1 37 . 1 1 39 39 GLN N N 15 1.2112 0.0153 . . . . . 53187 1 38 . 1 1 40 40 GLU N N 15 1.0597 0.0162 . . . . . 53187 1 39 . 1 1 41 41 ASN N N 15 1.1366 0.0185 . . . . . 53187 1 40 . 1 1 42 42 GLU N N 15 0.9191 0.0162 . . . . . 53187 1 41 . 1 1 43 43 GLY N N 15 0.8776 0.0112 . . . . . 53187 1 42 . 1 1 44 44 GLU N N 15 0.9674 0.0181 . . . . . 53187 1 43 . 1 1 45 45 ASN N N 15 0.8854 0.0079 . . . . . 53187 1 44 . 1 1 46 46 ASP N N 15 1.0104 0.0154 . . . . . 53187 1 45 . 1 1 48 48 VAL N N 15 1.1095 0.0227 . . . . . 53187 1 46 . 1 1 49 49 LEU N N 15 1.2560 0.0323 . . . . . 53187 1 47 . 1 1 50 50 GLN N N 15 1.2599 0.0219 . . . . . 53187 1 48 . 1 1 51 51 ARG N N 15 1.1985 0.0286 . . . . . 53187 1 49 . 1 1 52 52 ILE N N 15 1.3029 0.0275 . . . . . 53187 1 50 . 1 1 53 53 VAL N N 15 1.1794 0.0317 . . . . . 53187 1 51 . 1 1 54 54 ASP N N 15 1.2109 0.0158 . . . . . 53187 1 52 . 1 1 55 55 ILE N N 15 1.2146 0.0291 . . . . . 53187 1 53 . 1 1 56 56 LEU N N 15 1.1468 0.0338 . . . . . 53187 1 54 . 1 1 57 57 TYR N N 15 1.2687 0.0174 . . . . . 53187 1 55 . 1 1 58 58 ALA N N 15 0.9547 0.0120 . . . . . 53187 1 56 . 1 1 59 59 THR N N 15 1.0671 0.0203 . . . . . 53187 1 57 . 1 1 60 60 ASP N N 15 0.8242 0.0191 . . . . . 53187 1 58 . 1 1 61 61 GLU N N 15 0.7653 0.0061 . . . . . 53187 1 59 . 1 1 62 62 GLY N N 15 0.6959 0.0073 . . . . . 53187 1 60 . 1 1 63 63 PHE N N 15 0.7106 0.0047 . . . . . 53187 1 61 . 1 1 64 64 VAL N N 15 0.7350 0.0031 . . . . . 53187 1 62 . 1 1 65 65 ILE N N 15 0.7399 0.0035 . . . . . 53187 1 63 . 1 1 67 67 ASP N N 15 0.7763 0.0039 . . . . . 53187 1 64 . 1 1 68 68 GLU N N 15 0.8883 0.0050 . . . . . 53187 1 65 . 1 1 69 69 GLY N N 15 1.0792 0.0133 . . . . . 53187 1 66 . 1 1 70 70 GLY N N 15 1.7021 0.0049 . . . . . 53187 1 stop_ save_ save_heteronucl_T1_relaxation_2 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronucl_T1_relaxation_2 _Heteronucl_T1_list.Entry_ID 53187 _Heteronucl_T1_list.ID 2 _Heteronucl_T1_list.Name '15N T1 at 800 MHz' _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 800 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 6 '2D 1H-15N T1-HSQC' . . . 53187 2 stop_ loop_ _Heteronucl_T1_software.Software_ID _Heteronucl_T1_software.Software_label _Heteronucl_T1_software.Method_ID _Heteronucl_T1_software.Method_label _Heteronucl_T1_software.Entry_ID _Heteronucl_T1_software.Heteronucl_T1_list_ID 2 $software_2 . . 53187 2 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 3 3 ALA N N 15 1.4558 0.0229 . . . . . 53187 2 2 . 1 1 4 4 ALA N N 15 1.6410 0.0070 . . . . . 53187 2 3 . 1 1 5 5 GLU N N 15 1.5620 0.0642 . . . . . 53187 2 4 . 1 1 6 6 LEU N N 15 1.8481 0.0748 . . . . . 53187 2 5 . 1 1 7 7 MET N N 15 1.8532 0.0718 . . . . . 53187 2 6 . 1 1 8 8 GLN N N 15 1.7179 0.0611 . . . . . 53187 2 7 . 1 1 9 9 GLN N N 15 1.8532 0.1054 . . . . . 53187 2 8 . 1 1 10 10 VAL N N 15 1.9037 0.0518 . . . . . 53187 2 9 . 1 1 11 11 ASN N N 15 1.8228 0.1136 . . . . . 53187 2 10 . 1 1 12 12 VAL N N 15 1.5060 0.0587 . . . . . 53187 2 11 . 1 1 13 13 LEU N N 15 1.8495 0.0705 . . . . . 53187 2 12 . 1 1 14 14 LYS N N 15 1.8660 0.0679 . . . . . 53187 2 13 . 1 1 15 15 LEU N N 15 1.7690 0.0695 . . . . . 53187 2 14 . 1 1 16 16 THR N N 15 1.9635 0.0729 . . . . . 53187 2 15 . 1 1 17 17 VAL N N 15 2.2769 0.2079 . . . . . 53187 2 16 . 1 1 18 18 GLU N N 15 1.9798 0.1591 . . . . . 53187 2 17 . 1 1 19 19 ASP N N 15 1.8986 0.0314 . . . . . 53187 2 18 . 1 1 20 20 LEU N N 15 1.8843 0.0511 . . . . . 53187 2 19 . 1 1 21 21 GLU N N 15 2.1182 0.0933 . . . . . 53187 2 20 . 1 1 22 22 LYS N N 15 1.8392 0.0572 . . . . . 53187 2 21 . 1 1 23 23 GLU N N 15 1.8751 0.0341 . . . . . 53187 2 22 . 1 1 24 24 ARG N N 15 2.1053 0.1401 . . . . . 53187 2 23 . 1 1 25 25 ASP N N 15 1.7928 0.0874 . . . . . 53187 2 24 . 1 1 26 26 PHE N N 15 1.6966 0.0921 . . . . . 53187 2 25 . 1 1 27 27 TYR N N 15 1.8298 0.0552 . . . . . 53187 2 26 . 1 1 28 28 PHE N N 15 1.8152 0.0992 . . . . . 53187 2 27 . 1 1 29 29 GLY N N 15 1.6678 0.0598 . . . . . 53187 2 28 . 1 1 30 30 LYS N N 15 1.8907 0.1083 . . . . . 53187 2 29 . 1 1 31 31 LEU N N 15 1.8864 0.0577 . . . . . 53187 2 30 . 1 1 32 32 ARG N N 15 1.7662 0.0633 . . . . . 53187 2 31 . 1 1 33 33 ASN N N 15 1.7559 0.0487 . . . . . 53187 2 32 . 1 1 34 34 ILE N N 15 2.1327 0.1119 . . . . . 53187 2 33 . 1 1 35 35 GLU N N 15 1.7775 0.0379 . . . . . 53187 2 34 . 1 1 36 36 LEU N N 15 1.7844 0.0885 . . . . . 53187 2 35 . 1 1 37 37 ILE N N 15 1.7425 0.0537 . . . . . 53187 2 36 . 1 1 38 38 CYS N N 15 1.7928 0.0685 . . . . . 53187 2 37 . 1 1 39 39 GLN N N 15 1.6488 0.0326 . . . . . 53187 2 38 . 1 1 40 40 GLU N N 15 1.5163 0.0715 . . . . . 53187 2 39 . 1 1 41 41 ASN N N 15 1.5411 0.0534 . . . . . 53187 2 40 . 1 1 42 42 GLU N N 15 1.1681 0.0181 . . . . . 53187 2 41 . 1 1 43 43 GLY N N 15 1.0679 0.0295 . . . . . 53187 2 42 . 1 1 44 44 GLU N N 15 1.2920 0.0192 . . . . . 53187 2 43 . 1 1 45 45 ASN N N 15 1.1227 0.0110 . . . . . 53187 2 44 . 1 1 46 46 ASP N N 15 1.2898 0.0226 . . . . . 53187 2 45 . 1 1 48 48 VAL N N 15 1.5117 0.0219 . . . . . 53187 2 46 . 1 1 49 49 LEU N N 15 1.7724 0.1122 . . . . . 53187 2 47 . 1 1 50 50 GLN N N 15 1.7828 0.0445 . . . . . 53187 2 48 . 1 1 51 51 ARG N N 15 1.7280 0.0606 . . . . . 53187 2 49 . 1 1 52 52 ILE N N 15 1.9410 0.0644 . . . . . 53187 2 50 . 1 1 53 53 VAL N N 15 1.7931 0.0604 . . . . . 53187 2 51 . 1 1 54 54 ASP N N 15 1.7153 0.0597 . . . . . 53187 2 52 . 1 1 55 55 ILE N N 15 1.8265 0.1091 . . . . . 53187 2 53 . 1 1 56 56 LEU N N 15 1.7528 0.0728 . . . . . 53187 2 54 . 1 1 57 57 TYR N N 15 1.7388 0.0744 . . . . . 53187 2 55 . 1 1 58 58 ALA N N 15 1.3063 0.0394 . . . . . 53187 2 56 . 1 1 59 59 THR N N 15 1.3481 0.0403 . . . . . 53187 2 57 . 1 1 60 60 ASP N N 15 1.0046 0.0179 . . . . . 53187 2 58 . 1 1 61 61 GLU N N 15 0.8940 0.0131 . . . . . 53187 2 59 . 1 1 62 62 GLY N N 15 0.8044 0.0071 . . . . . 53187 2 60 . 1 1 63 63 PHE N N 15 0.7792 0.0061 . . . . . 53187 2 61 . 1 1 64 64 VAL N N 15 0.7804 0.0048 . . . . . 53187 2 62 . 1 1 65 65 ILE N N 15 0.7841 0.0040 . . . . . 53187 2 63 . 1 1 67 67 ASP N N 15 0.7878 0.0042 . . . . . 53187 2 64 . 1 1 68 68 GLU N N 15 0.8861 0.0069 . . . . . 53187 2 65 . 1 1 69 69 GLY N N 15 1.0358 0.0161 . . . . . 53187 2 66 . 1 1 70 70 GLY N N 15 1.6260 0.0071 . . . . . 53187 2 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronucl_T2_relaxation_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronucl_T2_relaxation_1 _Heteronucl_T2_list.Entry_ID 53187 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Name '15N T2 at 600 MHz' _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method methanol _Heteronucl_T2_list.Temp_control_method 'temperature compensation block' _Heteronucl_T2_list.Spectrometer_frequency_1H 600 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 7 '2D 1H-15N T2-HSQC' . . . 53187 1 stop_ loop_ _Heteronucl_T2_software.Software_ID _Heteronucl_T2_software.Software_label _Heteronucl_T2_software.Method_ID _Heteronucl_T2_software.Method_label _Heteronucl_T2_software.Entry_ID _Heteronucl_T2_software.Heteronucl_T2_list_ID 2 $software_2 . . 53187 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 3 3 ALA N N 15 0.0646 0.0024 . . . . . . . 53187 1 2 . 1 1 4 4 ALA N N 15 0.0594 0.0009 . . . . . . . 53187 1 3 . 1 1 5 5 GLU N N 15 0.0582 0.0014 . . . . . . . 53187 1 4 . 1 1 6 6 LEU N N 15 0.0469 0.0018 . . . . . . . 53187 1 5 . 1 1 7 7 MET N N 15 0.0550 0.0010 . . . . . . . 53187 1 6 . 1 1 8 8 GLN N N 15 0.0555 0.0007 . . . . . . . 53187 1 7 . 1 1 9 9 GLN N N 15 0.0523 0.0012 . . . . . . . 53187 1 8 . 1 1 10 10 VAL N N 15 0.0503 0.0008 . . . . . . . 53187 1 9 . 1 1 11 11 ASN N N 15 0.0510 0.0011 . . . . . . . 53187 1 10 . 1 1 12 12 VAL N N 15 0.0505 0.0013 . . . . . . . 53187 1 11 . 1 1 13 13 LEU N N 15 0.0503 0.0019 . . . . . . . 53187 1 12 . 1 1 14 14 LYS N N 15 0.0488 0.0014 . . . . . . . 53187 1 13 . 1 1 15 15 LEU N N 15 0.0518 0.0017 . . . . . . . 53187 1 14 . 1 1 16 16 THR N N 15 0.0489 0.0007 . . . . . . . 53187 1 15 . 1 1 17 17 VAL N N 15 0.0671 0.0030 . . . . . . . 53187 1 16 . 1 1 18 18 GLU N N 15 0.0499 0.0020 . . . . . . . 53187 1 17 . 1 1 19 19 ASP N N 15 0.0517 0.0017 . . . . . . . 53187 1 18 . 1 1 20 20 LEU N N 15 0.0488 0.0022 . . . . . . . 53187 1 19 . 1 1 21 21 GLU N N 15 0.0507 0.0017 . . . . . . . 53187 1 20 . 1 1 22 22 LYS N N 15 0.0510 0.0007 . . . . . . . 53187 1 21 . 1 1 23 23 GLU N N 15 0.0499 0.0009 . . . . . . . 53187 1 22 . 1 1 24 24 ARG N N 15 0.0503 0.0014 . . . . . . . 53187 1 23 . 1 1 25 25 ASP N N 15 0.0497 0.0015 . . . . . . . 53187 1 24 . 1 1 26 26 PHE N N 15 0.0514 0.0021 . . . . . . . 53187 1 25 . 1 1 27 27 TYR N N 15 0.0461 0.0005 . . . . . . . 53187 1 26 . 1 1 28 28 PHE N N 15 0.0470 0.0016 . . . . . . . 53187 1 27 . 1 1 29 29 GLY N N 15 0.0508 0.0013 . . . . . . . 53187 1 28 . 1 1 30 30 LYS N N 15 0.0506 0.0008 . . . . . . . 53187 1 29 . 1 1 31 31 LEU N N 15 0.0522 0.0016 . . . . . . . 53187 1 30 . 1 1 32 32 ARG N N 15 0.0503 0.0007 . . . . . . . 53187 1 31 . 1 1 33 33 ASN N N 15 0.0541 0.0006 . . . . . . . 53187 1 32 . 1 1 34 34 ILE N N 15 0.0627 0.0040 . . . . . . . 53187 1 33 . 1 1 35 35 GLU N N 15 0.0503 0.0012 . . . . . . . 53187 1 34 . 1 1 36 36 LEU N N 15 0.0516 0.0022 . . . . . . . 53187 1 35 . 1 1 37 37 ILE N N 15 0.0565 0.0015 . . . . . . . 53187 1 36 . 1 1 38 38 CYS N N 15 0.0475 0.0008 . . . . . . . 53187 1 37 . 1 1 39 39 GLN N N 15 0.0526 0.0009 . . . . . . . 53187 1 38 . 1 1 40 40 GLU N N 15 0.0604 0.0010 . . . . . . . 53187 1 39 . 1 1 41 41 ASN N N 15 0.0611 0.0008 . . . . . . . 53187 1 40 . 1 1 42 42 GLU N N 15 0.0872 0.0020 . . . . . . . 53187 1 41 . 1 1 43 43 GLY N N 15 0.0918 0.0015 . . . . . . . 53187 1 42 . 1 1 44 44 GLU N N 15 0.0819 0.0036 . . . . . . . 53187 1 43 . 1 1 45 45 ASN N N 15 0.0908 0.0015 . . . . . . . 53187 1 44 . 1 1 46 46 ASP N N 15 0.0793 0.0017 . . . . . . . 53187 1 45 . 1 1 48 48 VAL N N 15 0.0660 0.0011 . . . . . . . 53187 1 46 . 1 1 49 49 LEU N N 15 0.0495 0.0014 . . . . . . . 53187 1 47 . 1 1 50 50 GLN N N 15 0.0482 0.0006 . . . . . . . 53187 1 48 . 1 1 51 51 ARG N N 15 0.0568 0.0012 . . . . . . . 53187 1 49 . 1 1 52 52 ILE N N 15 0.0532 0.0016 . . . . . . . 53187 1 50 . 1 1 53 53 VAL N N 15 0.0593 0.0011 . . . . . . . 53187 1 51 . 1 1 54 54 ASP N N 15 0.0516 0.0007 . . . . . . . 53187 1 52 . 1 1 55 55 ILE N N 15 0.0563 0.0012 . . . . . . . 53187 1 53 . 1 1 56 56 LEU N N 15 0.0535 0.0020 . . . . . . . 53187 1 54 . 1 1 57 57 TYR N N 15 0.0543 0.0016 . . . . . . . 53187 1 55 . 1 1 58 58 ALA N N 15 0.0778 0.0018 . . . . . . . 53187 1 56 . 1 1 59 59 THR N N 15 0.0730 0.0017 . . . . . . . 53187 1 57 . 1 1 60 60 ASP N N 15 0.1107 0.0016 . . . . . . . 53187 1 58 . 1 1 61 61 GLU N N 15 0.1614 0.0018 . . . . . . . 53187 1 59 . 1 1 62 62 GLY N N 15 0.2079 0.0022 . . . . . . . 53187 1 60 . 1 1 63 63 PHE N N 15 0.2163 0.0022 . . . . . . . 53187 1 61 . 1 1 64 64 VAL N N 15 0.2568 0.0035 . . . . . . . 53187 1 62 . 1 1 65 65 ILE N N 15 0.2460 0.0170 . . . . . . . 53187 1 63 . 1 1 67 67 ASP N N 15 0.3836 0.0053 . . . . . . . 53187 1 64 . 1 1 68 68 GLU N N 15 0.5163 0.0301 . . . . . . . 53187 1 65 . 1 1 69 69 GLY N N 15 0.6977 0.0220 . . . . . . . 53187 1 66 . 1 1 70 70 GLY N N 15 1.1425 0.0332 . . . . . . . 53187 1 stop_ save_ save_heteronucl_T2_relaxation_2 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronucl_T2_relaxation_2 _Heteronucl_T2_list.Entry_ID 53187 _Heteronucl_T2_list.ID 2 _Heteronucl_T2_list.Name '15N T2 at 800 MHz' _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method methanol _Heteronucl_T2_list.Temp_control_method 'temperature compensation block' _Heteronucl_T2_list.Spectrometer_frequency_1H 600 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 7 '2D 1H-15N T2-HSQC' . . . 53187 2 stop_ loop_ _Heteronucl_T2_software.Software_ID _Heteronucl_T2_software.Software_label _Heteronucl_T2_software.Method_ID _Heteronucl_T2_software.Method_label _Heteronucl_T2_software.Entry_ID _Heteronucl_T2_software.Heteronucl_T2_list_ID 2 $software_2 . . 53187 2 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 3 3 ALA N N 15 0.0565 0.0007 . . . . . . . 53187 2 2 . 1 1 4 4 ALA N N 15 0.0493 0.0009 . . . . . . . 53187 2 3 . 1 1 5 5 GLU N N 15 0.0485 0.0009 . . . . . . . 53187 2 4 . 1 1 6 6 LEU N N 15 0.0446 0.0013 . . . . . . . 53187 2 5 . 1 1 7 7 MET N N 15 0.0444 0.0006 . . . . . . . 53187 2 6 . 1 1 8 8 GLN N N 15 0.0471 0.0005 . . . . . . . 53187 2 7 . 1 1 9 9 GLN N N 15 0.0454 0.0015 . . . . . . . 53187 2 8 . 1 1 10 10 VAL N N 15 0.0429 0.0011 . . . . . . . 53187 2 9 . 1 1 11 11 ASN N N 15 0.0417 0.0004 . . . . . . . 53187 2 10 . 1 1 12 12 VAL N N 15 0.0443 0.0009 . . . . . . . 53187 2 11 . 1 1 13 13 LEU N N 15 0.0421 0.0008 . . . . . . . 53187 2 12 . 1 1 14 14 LYS N N 15 0.0424 0.0008 . . . . . . . 53187 2 13 . 1 1 15 15 LEU N N 15 0.0441 0.0011 . . . . . . . 53187 2 14 . 1 1 16 16 THR N N 15 0.0412 0.0007 . . . . . . . 53187 2 15 . 1 1 17 17 VAL N N 15 0.0302 0.0014 . . . . . . . 53187 2 16 . 1 1 18 18 GLU N N 15 0.0428 0.0012 . . . . . . . 53187 2 17 . 1 1 19 19 ASP N N 15 0.0424 0.0002 . . . . . . . 53187 2 18 . 1 1 20 20 LEU N N 15 0.0408 0.0007 . . . . . . . 53187 2 19 . 1 1 21 21 GLU N N 15 0.0437 0.0008 . . . . . . . 53187 2 20 . 1 1 22 22 LYS N N 15 0.0409 0.0007 . . . . . . . 53187 2 21 . 1 1 23 23 GLU N N 15 0.0422 0.0004 . . . . . . . 53187 2 22 . 1 1 24 24 ARG N N 15 0.0410 0.0013 . . . . . . . 53187 2 23 . 1 1 25 25 ASP N N 15 0.0397 0.0015 . . . . . . . 53187 2 24 . 1 1 26 26 PHE N N 15 0.0427 0.0015 . . . . . . . 53187 2 25 . 1 1 27 27 TYR N N 15 0.0407 0.0008 . . . . . . . 53187 2 26 . 1 1 28 28 PHE N N 15 0.0419 0.0006 . . . . . . . 53187 2 27 . 1 1 29 29 GLY N N 15 0.0448 0.0005 . . . . . . . 53187 2 28 . 1 1 30 30 LYS N N 15 0.0438 0.0008 . . . . . . . 53187 2 29 . 1 1 31 31 LEU N N 15 0.0422 0.0010 . . . . . . . 53187 2 30 . 1 1 32 32 ARG N N 15 0.0422 0.0007 . . . . . . . 53187 2 31 . 1 1 33 33 ASN N N 15 0.0450 0.0003 . . . . . . . 53187 2 32 . 1 1 34 34 ILE N N 15 0.0442 0.0013 . . . . . . . 53187 2 33 . 1 1 35 35 GLU N N 15 0.0431 0.0010 . . . . . . . 53187 2 34 . 1 1 36 36 LEU N N 15 0.0476 0.0010 . . . . . . . 53187 2 35 . 1 1 37 37 ILE N N 15 0.0471 0.0010 . . . . . . . 53187 2 36 . 1 1 38 38 CYS N N 15 0.0423 0.0009 . . . . . . . 53187 2 37 . 1 1 39 39 GLN N N 15 0.0467 0.0007 . . . . . . . 53187 2 38 . 1 1 40 40 GLU N N 15 0.0536 0.0007 . . . . . . . 53187 2 39 . 1 1 41 41 ASN N N 15 0.0533 0.0007 . . . . . . . 53187 2 40 . 1 1 42 42 GLU N N 15 0.0724 0.0009 . . . . . . . 53187 2 41 . 1 1 43 43 GLY N N 15 0.0761 0.0014 . . . . . . . 53187 2 42 . 1 1 44 44 GLU N N 15 0.0628 0.0014 . . . . . . . 53187 2 43 . 1 1 45 45 ASN N N 15 0.0781 0.0010 . . . . . . . 53187 2 44 . 1 1 46 46 ASP N N 15 0.0687 0.0009 . . . . . . . 53187 2 45 . 1 1 48 48 VAL N N 15 0.0528 0.0012 . . . . . . . 53187 2 46 . 1 1 49 49 LEU N N 15 0.0413 0.0007 . . . . . . . 53187 2 47 . 1 1 50 50 GLN N N 15 0.0415 0.0007 . . . . . . . 53187 2 48 . 1 1 51 51 ARG N N 15 0.0468 0.0008 . . . . . . . 53187 2 49 . 1 1 52 52 ILE N N 15 0.0440 0.0020 . . . . . . . 53187 2 50 . 1 1 53 53 VAL N N 15 0.0477 0.0015 . . . . . . . 53187 2 51 . 1 1 54 54 ASP N N 15 0.0421 0.0006 . . . . . . . 53187 2 52 . 1 1 55 55 ILE N N 15 0.0467 0.0007 . . . . . . . 53187 2 53 . 1 1 56 56 LEU N N 15 0.0401 0.0005 . . . . . . . 53187 2 54 . 1 1 57 57 TYR N N 15 0.0465 0.0013 . . . . . . . 53187 2 55 . 1 1 58 58 ALA N N 15 0.0639 0.0014 . . . . . . . 53187 2 56 . 1 1 59 59 THR N N 15 0.0651 0.0013 . . . . . . . 53187 2 57 . 1 1 60 60 ASP N N 15 0.0952 0.0023 . . . . . . . 53187 2 58 . 1 1 61 61 GLU N N 15 0.1445 0.0024 . . . . . . . 53187 2 59 . 1 1 62 62 GLY N N 15 0.1767 0.0054 . . . . . . . 53187 2 60 . 1 1 63 63 PHE N N 15 0.1905 0.0055 . . . . . . . 53187 2 61 . 1 1 64 64 VAL N N 15 0.2092 0.0070 . . . . . . . 53187 2 62 . 1 1 65 65 ILE N N 15 0.2335 0.0072 . . . . . . . 53187 2 63 . 1 1 67 67 ASP N N 15 0.3550 0.0135 . . . . . . . 53187 2 64 . 1 1 68 68 GLU N N 15 0.5319 0.0540 . . . . . . . 53187 2 65 . 1 1 69 69 GLY N N 15 0.7045 0.1010 . . . . . . . 53187 2 66 . 1 1 70 70 GLY N N 15 1.1590 0.1190 . . . . . . . 53187 2 stop_ save_