data_53188 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53188 _Entry.Title ; EB1 EBH(191-260) bound to MACF peptide, 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 53188 2 Eleanor Hargreaves . . . . 53188 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID heteronucl_NOEs 2 53188 heteronucl_T1_relaxation 2 53188 heteronucl_T2_relaxation 2 53188 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID 'T1 relaxation values' 132 53188 'T2 relaxation values' 132 53188 'heteronuclear NOE values' 132 53188 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 . 53188 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 53187 'EB1 EBH(191-260) relaxation data' 53188 PDB 7OLG . 53188 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53188 _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. . . 53188 1 2 A Carnell A. J. . . 53188 1 3 I Barsukov I. L. . . 53188 1 4 N Berry N. G. . . 53188 1 stop_ save_ save_citations_2 _Citation.Sf_category citations _Citation.Sf_framecode citations_2 _Citation.Entry_ID 53188 _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 . . . . 53188 2 2 Eleanor Hargreaves . . . . 53188 2 3 Tobias Zech . . . . 53188 2 4 Igor Barsukov . . . . 53188 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53188 _Assembly.ID 1 _Assembly.Name 'Microtubule-associated protein RP/EB family member 1' _Assembly.BMRB_code . _Assembly.Number_of_components 4 _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 18666 _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 . . . 53188 1 2 'entity_1, 2' 1 $entity_1 . . yes native no no . . . 53188 1 3 'entity_2, 1' 2 $entity_2 . . no native no no . . . 53188 1 4 'entity_2, 2' 2 $entity_2 . . no native no no . . . 53188 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 34629 . . 'solution NMR' . . . 53188 1 yes PDB 7OLG . . 'solution NMR' . . . 53188 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' 53188 1 2 1 3 'Slow exchange' 53188 1 3 1 4 'Slow exchange' 53188 1 4 2 3 'Slow exchange' 53188 1 5 2 4 'Slow exchange' 53188 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'ligand binding' 53188 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53188 _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 . . . . . . . . . . . . . . 53188 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Microtubule binding adaptor protein' 53188 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 . 53188 1 2 . GLU . 53188 1 3 . ALA . 53188 1 4 . ALA . 53188 1 5 . GLU . 53188 1 6 . LEU . 53188 1 7 . MET . 53188 1 8 . GLN . 53188 1 9 . GLN . 53188 1 10 . VAL . 53188 1 11 . ASN . 53188 1 12 . VAL . 53188 1 13 . LEU . 53188 1 14 . LYS . 53188 1 15 . LEU . 53188 1 16 . THR . 53188 1 17 . VAL . 53188 1 18 . GLU . 53188 1 19 . ASP . 53188 1 20 . LEU . 53188 1 21 . GLU . 53188 1 22 . LYS . 53188 1 23 . GLU . 53188 1 24 . ARG . 53188 1 25 . ASP . 53188 1 26 . PHE . 53188 1 27 . TYR . 53188 1 28 . PHE . 53188 1 29 . GLY . 53188 1 30 . LYS . 53188 1 31 . LEU . 53188 1 32 . ARG . 53188 1 33 . ASN . 53188 1 34 . ILE . 53188 1 35 . GLU . 53188 1 36 . LEU . 53188 1 37 . ILE . 53188 1 38 . CYS . 53188 1 39 . GLN . 53188 1 40 . GLU . 53188 1 41 . ASN . 53188 1 42 . GLU . 53188 1 43 . GLY . 53188 1 44 . GLU . 53188 1 45 . ASN . 53188 1 46 . ASP . 53188 1 47 . PRO . 53188 1 48 . VAL . 53188 1 49 . LEU . 53188 1 50 . GLN . 53188 1 51 . ARG . 53188 1 52 . ILE . 53188 1 53 . VAL . 53188 1 54 . ASP . 53188 1 55 . ILE . 53188 1 56 . LEU . 53188 1 57 . TYR . 53188 1 58 . ALA . 53188 1 59 . THR . 53188 1 60 . ASP . 53188 1 61 . GLU . 53188 1 62 . GLY . 53188 1 63 . PHE . 53188 1 64 . VAL . 53188 1 65 . ILE . 53188 1 66 . PRO . 53188 1 67 . ASP . 53188 1 68 . GLU . 53188 1 69 . GLY . 53188 1 70 . GLY . 53188 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 53188 1 . GLU 2 2 53188 1 . ALA 3 3 53188 1 . ALA 4 4 53188 1 . GLU 5 5 53188 1 . LEU 6 6 53188 1 . MET 7 7 53188 1 . GLN 8 8 53188 1 . GLN 9 9 53188 1 . VAL 10 10 53188 1 . ASN 11 11 53188 1 . VAL 12 12 53188 1 . LEU 13 13 53188 1 . LYS 14 14 53188 1 . LEU 15 15 53188 1 . THR 16 16 53188 1 . VAL 17 17 53188 1 . GLU 18 18 53188 1 . ASP 19 19 53188 1 . LEU 20 20 53188 1 . GLU 21 21 53188 1 . LYS 22 22 53188 1 . GLU 23 23 53188 1 . ARG 24 24 53188 1 . ASP 25 25 53188 1 . PHE 26 26 53188 1 . TYR 27 27 53188 1 . PHE 28 28 53188 1 . GLY 29 29 53188 1 . LYS 30 30 53188 1 . LEU 31 31 53188 1 . ARG 32 32 53188 1 . ASN 33 33 53188 1 . ILE 34 34 53188 1 . GLU 35 35 53188 1 . LEU 36 36 53188 1 . ILE 37 37 53188 1 . CYS 38 38 53188 1 . GLN 39 39 53188 1 . GLU 40 40 53188 1 . ASN 41 41 53188 1 . GLU 42 42 53188 1 . GLY 43 43 53188 1 . GLU 44 44 53188 1 . ASN 45 45 53188 1 . ASP 46 46 53188 1 . PRO 47 47 53188 1 . VAL 48 48 53188 1 . LEU 49 49 53188 1 . GLN 50 50 53188 1 . ARG 51 51 53188 1 . ILE 52 52 53188 1 . VAL 53 53 53188 1 . ASP 54 54 53188 1 . ILE 55 55 53188 1 . LEU 56 56 53188 1 . TYR 57 57 53188 1 . ALA 58 58 53188 1 . THR 59 59 53188 1 . ASP 60 60 53188 1 . GLU 61 61 53188 1 . GLY 62 62 53188 1 . PHE 63 63 53188 1 . VAL 64 64 53188 1 . ILE 65 65 53188 1 . PRO 66 66 53188 1 . ASP 67 67 53188 1 . GLU 68 68 53188 1 . GLY 69 69 53188 1 . GLY 70 70 53188 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 53188 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _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 ; KPSKIPTPQRK ; _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 11 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1283.561 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Adaptor protein' 53188 2 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 . LYS . 53188 2 2 . PRO . 53188 2 3 . SER . 53188 2 4 . LYS . 53188 2 5 . ILE . 53188 2 6 . PRO . 53188 2 7 . THR . 53188 2 8 . PRO . 53188 2 9 . GLN . 53188 2 10 . ARG . 53188 2 11 . LYS . 53188 2 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 . LYS 1 1 53188 2 . PRO 2 2 53188 2 . SER 3 3 53188 2 . LYS 4 4 53188 2 . ILE 5 5 53188 2 . PRO 6 6 53188 2 . THR 7 7 53188 2 . PRO 8 8 53188 2 . GLN 9 9 53188 2 . ARG 10 10 53188 2 . LYS 11 11 53188 2 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 53188 _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 . 53188 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 53188 _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 . . . 53188 1 2 2 $entity_2 . 'chemical synthesis' . . . . . . . . . plasmid . . . . . . 53188 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53188 _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 entity_1 [U-15N] . . 1 $entity_1 . . 0.63 . . mM . . . . 53188 1 2 entity_2 'natural abundance' . . 2 $entity_2 . . 3 . . mM . . . . 53188 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 53188 _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 53188 1 pH 6.5 . pH 53188 1 pressure 1 . atm 53188 1 temperature 298 . K 53188 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53188 _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' . 53188 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 53188 _Software.ID 2 _Software.Type . _Software.Name ARIA _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 53188 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 53188 _Software.ID 3 _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' . 53188 3 'peak picking' . 53188 3 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 53188 _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 53188 _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 53188 _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 . . . . . . . . . . . . . . . . . 53188 1 2 '2D 1H-15N T1-HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53188 1 3 '2D 1H-15N T2-HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53188 1 4 '2D 1H-15N heteronoe' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53188 1 5 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 53188 1 6 '2D 1H-15N T1-HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 53188 1 7 '2D 1H-15N T2-HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 53188 1 8 '2D 1H-15N heteronoe' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 53188 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 53188 _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 4 '2D 1H-15N heteronoe' . . . 53188 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 3 $software_3 . . 53188 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 0.3941 0.0097 . . . . . . . . . . 53188 1 2 . 1 1 4 4 ALA N N 15 . 1 1 4 4 ALA H H 1 0.6059 0.0116 . . . . . . . . . . 53188 1 3 . 1 1 5 5 GLU N N 15 . 1 1 5 5 GLU H H 1 0.6385 0.0158 . . . . . . . . . . 53188 1 4 . 1 1 6 6 LEU N N 15 . 1 1 6 6 LEU H H 1 0.6541 0.0227 . . . . . . . . . . 53188 1 5 . 1 1 7 7 MET N N 15 . 1 1 7 7 MET H H 1 0.6545 0.0184 . . . . . . . . . . 53188 1 6 . 1 1 8 8 GLN N N 15 . 1 1 8 8 GLN H H 1 0.7622 0.0181 . . . . . . . . . . 53188 1 7 . 1 1 9 9 GLN N N 15 . 1 1 9 9 GLN H H 1 0.7761 0.0210 . . . . . . . . . . 53188 1 8 . 1 1 10 10 VAL N N 15 . 1 1 10 10 VAL H H 1 0.8196 0.0254 . . . . . . . . . . 53188 1 9 . 1 1 11 11 ASN N N 15 . 1 1 11 11 ASN H H 1 0.7745 0.0198 . . . . . . . . . . 53188 1 10 . 1 1 12 12 VAL N N 15 . 1 1 12 12 VAL H H 1 0.7737 0.0214 . . . . . . . . . . 53188 1 11 . 1 1 13 13 LEU N N 15 . 1 1 13 13 LEU H H 1 0.8960 0.0319 . . . . . . . . . . 53188 1 12 . 1 1 14 14 LYS N N 15 . 1 1 14 14 LYS H H 1 0.8344 0.0249 . . . . . . . . . . 53188 1 13 . 1 1 15 15 LEU N N 15 . 1 1 15 15 LEU H H 1 0.8231 0.0191 . . . . . . . . . . 53188 1 14 . 1 1 16 16 THR N N 15 . 1 1 16 16 THR H H 1 0.8373 0.0231 . . . . . . . . . . 53188 1 15 . 1 1 17 17 VAL N N 15 . 1 1 17 17 VAL H H 1 0.8252 0.0295 . . . . . . . . . . 53188 1 16 . 1 1 18 18 GLU N N 15 . 1 1 18 18 GLU H H 1 0.8372 0.0215 . . . . . . . . . . 53188 1 17 . 1 1 19 19 ASP N N 15 . 1 1 19 19 ASP H H 1 0.8782 0.0208 . . . . . . . . . . 53188 1 18 . 1 1 20 20 LEU N N 15 . 1 1 20 20 LEU H H 1 0.8169 0.0289 . . . . . . . . . . 53188 1 19 . 1 1 21 21 GLU N N 15 . 1 1 21 21 GLU H H 1 0.8662 0.0290 . . . . . . . . . . 53188 1 20 . 1 1 22 22 LYS N N 15 . 1 1 22 22 LYS H H 1 0.8807 0.0221 . . . . . . . . . . 53188 1 21 . 1 1 23 23 GLU N N 15 . 1 1 23 23 GLU H H 1 0.8378 0.0238 . . . . . . . . . . 53188 1 22 . 1 1 24 24 ARG N N 15 . 1 1 24 24 ARG H H 1 0.9338 0.0342 . . . . . . . . . . 53188 1 23 . 1 1 25 25 ASP N N 15 . 1 1 25 25 ASP H H 1 0.8238 0.0249 . . . . . . . . . . 53188 1 24 . 1 1 26 26 PHE N N 15 . 1 1 26 26 PHE H H 1 0.8181 0.0265 . . . . . . . . . . 53188 1 25 . 1 1 27 27 TYR N N 15 . 1 1 27 27 TYR H H 1 0.8198 0.0250 . . . . . . . . . . 53188 1 26 . 1 1 28 28 PHE N N 15 . 1 1 28 28 PHE H H 1 0.7580 0.0249 . . . . . . . . . . 53188 1 27 . 1 1 29 29 GLY N N 15 . 1 1 29 29 GLY H H 1 0.9361 0.0289 . . . . . . . . . . 53188 1 28 . 1 1 30 30 LYS N N 15 . 1 1 30 30 LYS H H 1 0.8789 0.0274 . . . . . . . . . . 53188 1 29 . 1 1 31 31 LEU N N 15 . 1 1 31 31 LEU H H 1 0.9113 0.0376 . . . . . . . . . . 53188 1 30 . 1 1 32 32 ARG N N 15 . 1 1 32 32 ARG H H 1 0.8903 0.0318 . . . . . . . . . . 53188 1 31 . 1 1 33 33 ASN N N 15 . 1 1 33 33 ASN H H 1 0.8815 0.0237 . . . . . . . . . . 53188 1 32 . 1 1 34 34 ILE N N 15 . 1 1 34 34 ILE H H 1 0.8200 0.0365 . . . . . . . . . . 53188 1 33 . 1 1 35 35 GLU N N 15 . 1 1 35 35 GLU H H 1 0.8745 0.0376 . . . . . . . . . . 53188 1 34 . 1 1 36 36 LEU N N 15 . 1 1 36 36 LEU H H 1 0.8490 0.0419 . . . . . . . . . . 53188 1 35 . 1 1 37 37 ILE N N 15 . 1 1 37 37 ILE H H 1 0.8614 0.0294 . . . . . . . . . . 53188 1 36 . 1 1 38 38 CYS N N 15 . 1 1 38 38 CYS H H 1 0.8511 0.0268 . . . . . . . . . . 53188 1 37 . 1 1 39 39 GLN N N 15 . 1 1 39 39 GLN H H 1 0.8641 0.0261 . . . . . . . . . . 53188 1 38 . 1 1 40 40 GLU N N 15 . 1 1 40 40 GLU H H 1 0.7556 0.0170 . . . . . . . . . . 53188 1 39 . 1 1 41 41 ASN N N 15 . 1 1 41 41 ASN H H 1 0.6575 0.0188 . . . . . . . . . . 53188 1 40 . 1 1 42 42 GLU N N 15 . 1 1 42 42 GLU H H 1 0.5422 0.0086 . . . . . . . . . . 53188 1 41 . 1 1 43 43 GLY N N 15 . 1 1 43 43 GLY H H 1 0.5253 0.0149 . . . . . . . . . . 53188 1 42 . 1 1 44 44 GLU N N 15 . 1 1 44 44 GLU H H 1 0.5604 0.0111 . . . . . . . . . . 53188 1 43 . 1 1 45 45 ASN N N 15 . 1 1 45 45 ASN H H 1 0.4935 0.0104 . . . . . . . . . . 53188 1 44 . 1 1 46 46 ASP N N 15 . 1 1 46 46 ASP H H 1 0.5182 0.0097 . . . . . . . . . . 53188 1 45 . 1 1 48 48 VAL N N 15 . 1 1 48 48 VAL H H 1 0.6636 0.0192 . . . . . . . . . . 53188 1 46 . 1 1 49 49 LEU N N 15 . 1 1 49 49 LEU H H 1 0.7893 0.0242 . . . . . . . . . . 53188 1 47 . 1 1 50 50 GLN N N 15 . 1 1 50 50 GLN H H 1 0.8229 0.0203 . . . . . . . . . . 53188 1 48 . 1 1 51 51 ARG N N 15 . 1 1 51 51 ARG H H 1 0.8315 0.0221 . . . . . . . . . . 53188 1 49 . 1 1 52 52 ILE N N 15 . 1 1 52 52 ILE H H 1 0.8756 0.0288 . . . . . . . . . . 53188 1 50 . 1 1 53 53 VAL N N 15 . 1 1 53 53 VAL H H 1 0.8387 0.0259 . . . . . . . . . . 53188 1 51 . 1 1 54 54 ASP N N 15 . 1 1 54 54 ASP H H 1 0.8667 0.0194 . . . . . . . . . . 53188 1 52 . 1 1 55 55 ILE N N 15 . 1 1 55 55 ILE H H 1 0.9091 0.0305 . . . . . . . . . . 53188 1 53 . 1 1 56 56 LEU N N 15 . 1 1 56 56 LEU H H 1 1.2224 0.0471 . . . . . . . . . . 53188 1 54 . 1 1 57 57 TYR N N 15 . 1 1 57 57 TYR H H 1 0.9498 0.0300 . . . . . . . . . . 53188 1 55 . 1 1 58 58 ALA N N 15 . 1 1 58 58 ALA H H 1 0.8757 0.0141 . . . . . . . . . . 53188 1 56 . 1 1 59 59 THR N N 15 . 1 1 59 59 THR H H 1 0.7864 0.0199 . . . . . . . . . . 53188 1 57 . 1 1 60 60 ASP N N 15 . 1 1 60 60 ASP H H 1 0.5649 0.0182 . . . . . . . . . . 53188 1 58 . 1 1 61 61 GLU N N 15 . 1 1 61 61 GLU H H 1 0.6741 0.0109 . . . . . . . . . . 53188 1 59 . 1 1 62 62 GLY N N 15 . 1 1 62 62 GLY H H 1 0.6324 0.0208 . . . . . . . . . . 53188 1 60 . 1 1 63 63 PHE N N 15 . 1 1 63 63 PHE H H 1 0.7751 0.0145 . . . . . . . . . . 53188 1 61 . 1 1 64 64 VAL N N 15 . 1 1 64 64 VAL H H 1 0.7030 0.0259 . . . . . . . . . . 53188 1 62 . 1 1 65 65 ILE N N 15 . 1 1 65 65 ILE H H 1 0.6211 0.0169 . . . . . . . . . . 53188 1 63 . 1 1 67 67 ASP N N 15 . 1 1 67 67 ASP H H 1 0.0936 0.0061 . . . . . . . . . . 53188 1 64 . 1 1 68 68 GLU N N 15 . 1 1 68 68 GLU H H 1 -0.0852 0.0033 . . . . . . . . . . 53188 1 65 . 1 1 69 69 GLY N N 15 . 1 1 69 69 GLY H H 1 -0.4977 0.0036 . . . . . . . . . . 53188 1 66 . 1 1 70 70 GLY N N 15 . 1 1 70 70 GLY H H 1 -1.5529 0.0040 . . . . . . . . . . 53188 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 53188 _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' . . . 53188 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 3 $software_3 . . 53188 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 0.5063 0.0098 . . . . . . . . . . 53188 2 2 . 1 1 4 4 ALA N N 15 . 1 1 4 4 ALA H H 1 0.6111 0.0123 . . . . . . . . . . 53188 2 3 . 1 1 5 5 GLU N N 15 . 1 1 5 5 GLU H H 1 0.5801 0.0149 . . . . . . . . . . 53188 2 4 . 1 1 6 6 LEU N N 15 . 1 1 6 6 LEU H H 1 0.6813 0.0272 . . . . . . . . . . 53188 2 5 . 1 1 7 7 MET N N 15 . 1 1 7 7 MET H H 1 0.6748 0.0208 . . . . . . . . . . 53188 2 6 . 1 1 8 8 GLN N N 15 . 1 1 8 8 GLN H H 1 0.6894 0.0169 . . . . . . . . . . 53188 2 7 . 1 1 9 9 GLN N N 15 . 1 1 9 9 GLN H H 1 0.7152 0.0206 . . . . . . . . . . 53188 2 8 . 1 1 10 10 VAL N N 15 . 1 1 10 10 VAL H H 1 0.7661 0.0256 . . . . . . . . . . 53188 2 9 . 1 1 11 11 ASN N N 15 . 1 1 11 11 ASN H H 1 0.7591 0.0201 . . . . . . . . . . 53188 2 10 . 1 1 12 12 VAL N N 15 . 1 1 12 12 VAL H H 1 0.8070 0.0251 . . . . . . . . . . 53188 2 11 . 1 1 13 13 LEU N N 15 . 1 1 13 13 LEU H H 1 0.7762 0.0314 . . . . . . . . . . 53188 2 12 . 1 1 14 14 LYS N N 15 . 1 1 14 14 LYS H H 1 0.8125 0.0275 . . . . . . . . . . 53188 2 13 . 1 1 15 15 LEU N N 15 . 1 1 15 15 LEU H H 1 0.9004 0.0257 . . . . . . . . . . 53188 2 14 . 1 1 16 16 THR N N 15 . 1 1 16 16 THR H H 1 0.8620 0.0259 . . . . . . . . . . 53188 2 15 . 1 1 17 17 VAL N N 15 . 1 1 17 17 VAL H H 1 0.8447 0.0304 . . . . . . . . . . 53188 2 16 . 1 1 18 18 GLU N N 15 . 1 1 18 18 GLU H H 1 0.8132 0.0231 . . . . . . . . . . 53188 2 17 . 1 1 19 19 ASP N N 15 . 1 1 19 19 ASP H H 1 0.8296 0.0224 . . . . . . . . . . 53188 2 18 . 1 1 20 20 LEU N N 15 . 1 1 20 20 LEU H H 1 0.8645 0.0354 . . . . . . . . . . 53188 2 19 . 1 1 21 21 GLU N N 15 . 1 1 21 21 GLU H H 1 0.8907 0.0326 . . . . . . . . . . 53188 2 20 . 1 1 22 22 LYS N N 15 . 1 1 22 22 LYS H H 1 0.7653 0.0217 . . . . . . . . . . 53188 2 21 . 1 1 23 23 GLU N N 15 . 1 1 23 23 GLU H H 1 0.8836 0.0294 . . . . . . . . . . 53188 2 22 . 1 1 24 24 ARG N N 15 . 1 1 24 24 ARG H H 1 0.8084 0.0333 . . . . . . . . . . 53188 2 23 . 1 1 25 25 ASP N N 15 . 1 1 25 25 ASP H H 1 0.8565 0.0305 . . . . . . . . . . 53188 2 24 . 1 1 26 26 PHE N N 15 . 1 1 26 26 PHE H H 1 0.8734 0.0291 . . . . . . . . . . 53188 2 25 . 1 1 27 27 TYR N N 15 . 1 1 27 27 TYR H H 1 0.8426 0.0294 . . . . . . . . . . 53188 2 26 . 1 1 28 28 PHE N N 15 . 1 1 28 28 PHE H H 1 0.8108 0.0311 . . . . . . . . . . 53188 2 27 . 1 1 29 29 GLY N N 15 . 1 1 29 29 GLY H H 1 0.8751 0.0297 . . . . . . . . . . 53188 2 28 . 1 1 30 30 LYS N N 15 . 1 1 30 30 LYS H H 1 0.8389 0.0312 . . . . . . . . . . 53188 2 29 . 1 1 31 31 LEU N N 15 . 1 1 31 31 LEU H H 1 0.8537 0.0375 . . . . . . . . . . 53188 2 30 . 1 1 32 32 ARG N N 15 . 1 1 32 32 ARG H H 1 0.8299 0.0323 . . . . . . . . . . 53188 2 31 . 1 1 33 33 ASN N N 15 . 1 1 33 33 ASN H H 1 0.8503 0.0266 . . . . . . . . . . 53188 2 32 . 1 1 34 34 ILE N N 15 . 1 1 34 34 ILE H H 1 0.8382 0.0436 . . . . . . . . . . 53188 2 33 . 1 1 35 35 GLU N N 15 . 1 1 35 35 GLU H H 1 0.7509 0.0386 . . . . . . . . . . 53188 2 34 . 1 1 36 36 LEU N N 15 . 1 1 36 36 LEU H H 1 0.8769 0.0543 . . . . . . . . . . 53188 2 35 . 1 1 37 37 ILE N N 15 . 1 1 37 37 ILE H H 1 0.8204 0.0286 . . . . . . . . . . 53188 2 36 . 1 1 38 38 CYS N N 15 . 1 1 38 38 CYS H H 1 0.8959 0.0328 . . . . . . . . . . 53188 2 37 . 1 1 39 39 GLN N N 15 . 1 1 39 39 GLN H H 1 0.7277 0.0312 . . . . . . . . . . 53188 2 38 . 1 1 40 40 GLU N N 15 . 1 1 40 40 GLU H H 1 0.7876 0.0192 . . . . . . . . . . 53188 2 39 . 1 1 41 41 ASN N N 15 . 1 1 41 41 ASN H H 1 0.6555 0.0177 . . . . . . . . . . 53188 2 40 . 1 1 42 42 GLU N N 15 . 1 1 42 42 GLU H H 1 0.5510 0.0079 . . . . . . . . . . 53188 2 41 . 1 1 43 43 GLY N N 15 . 1 1 43 43 GLY H H 1 0.5678 0.0144 . . . . . . . . . . 53188 2 42 . 1 1 44 44 GLU N N 15 . 1 1 44 44 GLU H H 1 0.6137 0.0111 . . . . . . . . . . 53188 2 43 . 1 1 45 45 ASN N N 15 . 1 1 45 45 ASN H H 1 0.5539 0.0101 . . . . . . . . . . 53188 2 44 . 1 1 46 46 ASP N N 15 . 1 1 46 46 ASP H H 1 0.5346 0.0092 . . . . . . . . . . 53188 2 45 . 1 1 48 48 VAL N N 15 . 1 1 48 48 VAL H H 1 0.7108 0.0206 . . . . . . . . . . 53188 2 46 . 1 1 49 49 LEU N N 15 . 1 1 49 49 LEU H H 1 0.8106 0.0313 . . . . . . . . . . 53188 2 47 . 1 1 50 50 GLN N N 15 . 1 1 50 50 GLN H H 1 0.8393 0.0229 . . . . . . . . . . 53188 2 48 . 1 1 51 51 ARG N N 15 . 1 1 51 51 ARG H H 1 0.7513 0.0206 . . . . . . . . . . 53188 2 49 . 1 1 52 52 ILE N N 15 . 1 1 52 52 ILE H H 1 0.6970 0.0370 . . . . . . . . . . 53188 2 50 . 1 1 53 53 VAL N N 15 . 1 1 53 53 VAL H H 1 0.9291 0.0321 . . . . . . . . . . 53188 2 51 . 1 1 54 54 ASP N N 15 . 1 1 54 54 ASP H H 1 0.8385 0.0205 . . . . . . . . . . 53188 2 52 . 1 1 55 55 ILE N N 15 . 1 1 55 55 ILE H H 1 0.7796 0.0253 . . . . . . . . . . 53188 2 53 . 1 1 56 56 LEU N N 15 . 1 1 56 56 LEU H H 1 0.7929 0.0330 . . . . . . . . . . 53188 2 54 . 1 1 57 57 TYR N N 15 . 1 1 57 57 TYR H H 1 0.8552 0.0283 . . . . . . . . . . 53188 2 55 . 1 1 58 58 ALA N N 15 . 1 1 58 58 ALA H H 1 0.8514 0.0133 . . . . . . . . . . 53188 2 56 . 1 1 59 59 THR N N 15 . 1 1 59 59 THR H H 1 0.8054 0.0218 . . . . . . . . . . 53188 2 57 . 1 1 60 60 ASP N N 15 . 1 1 60 60 ASP H H 1 0.5730 0.0185 . . . . . . . . . . 53188 2 58 . 1 1 61 61 GLU N N 15 . 1 1 61 61 GLU H H 1 0.6549 0.0114 . . . . . . . . . . 53188 2 59 . 1 1 62 62 GLY N N 15 . 1 1 62 62 GLY H H 1 0.7190 0.0231 . . . . . . . . . . 53188 2 60 . 1 1 63 63 PHE N N 15 . 1 1 63 63 PHE H H 1 0.7856 0.0154 . . . . . . . . . . 53188 2 61 . 1 1 64 64 VAL N N 15 . 1 1 64 64 VAL H H 1 0.6877 0.0320 . . . . . . . . . . 53188 2 62 . 1 1 65 65 ILE N N 15 . 1 1 65 65 ILE H H 1 0.6585 0.0167 . . . . . . . . . . 53188 2 63 . 1 1 67 67 ASP N N 15 . 1 1 67 67 ASP H H 1 0.3131 0.0060 . . . . . . . . . . 53188 2 64 . 1 1 68 68 GLU N N 15 . 1 1 68 68 GLU H H 1 0.0624 0.0025 . . . . . . . . . . 53188 2 65 . 1 1 69 69 GLY N N 15 . 1 1 69 69 GLY H H 1 -0.1350 0.0022 . . . . . . . . . . 53188 2 66 . 1 1 70 70 GLY N N 15 . 1 1 70 70 GLY H H 1 -0.9671 0.0021 . . . . . . . . . . 53188 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 53188 _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 2 '2D 1H-15N T1-HSQC' . . . 53188 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 3 $software_3 . . 53188 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 1.1979 0.0319 . . . . . 53188 1 2 . 1 1 4 4 ALA N N 15 1.2430 0.0303 . . . . . 53188 1 3 . 1 1 5 5 GLU N N 15 1.2274 0.0310 . . . . . 53188 1 4 . 1 1 6 6 LEU N N 15 1.3615 0.0449 . . . . . 53188 1 5 . 1 1 7 7 MET N N 15 1.2539 0.0601 . . . . . 53188 1 6 . 1 1 8 8 GLN N N 15 1.3012 0.0396 . . . . . 53188 1 7 . 1 1 9 9 GLN N N 15 1.3461 0.0386 . . . . . 53188 1 8 . 1 1 10 10 VAL N N 15 1.4335 0.0323 . . . . . 53188 1 9 . 1 1 11 11 ASN N N 15 1.4055 0.0340 . . . . . 53188 1 10 . 1 1 12 12 VAL N N 15 1.3860 0.0288 . . . . . 53188 1 11 . 1 1 13 13 LEU N N 15 1.3443 0.0356 . . . . . 53188 1 12 . 1 1 14 14 LYS N N 15 1.3910 0.0412 . . . . . 53188 1 13 . 1 1 15 15 LEU N N 15 1.3233 0.0426 . . . . . 53188 1 14 . 1 1 16 16 THR N N 15 1.4057 0.0213 . . . . . 53188 1 15 . 1 1 17 17 VAL N N 15 1.3757 0.0430 . . . . . 53188 1 16 . 1 1 18 18 GLU N N 15 1.3922 0.0374 . . . . . 53188 1 17 . 1 1 19 19 ASP N N 15 1.3087 0.0310 . . . . . 53188 1 18 . 1 1 20 20 LEU N N 15 1.3439 0.0228 . . . . . 53188 1 19 . 1 1 21 21 GLU N N 15 1.3259 0.0394 . . . . . 53188 1 20 . 1 1 22 22 LYS N N 15 1.3443 0.0282 . . . . . 53188 1 21 . 1 1 23 23 GLU N N 15 1.3727 0.0194 . . . . . 53188 1 22 . 1 1 24 24 ARG N N 15 1.3714 0.0380 . . . . . 53188 1 23 . 1 1 25 25 ASP N N 15 1.3326 0.0259 . . . . . 53188 1 24 . 1 1 26 26 PHE N N 15 1.3609 0.0500 . . . . . 53188 1 25 . 1 1 27 27 TYR N N 15 1.4120 0.0311 . . . . . 53188 1 26 . 1 1 28 28 PHE N N 15 1.3242 0.0449 . . . . . 53188 1 27 . 1 1 29 29 GLY N N 15 1.2442 0.0293 . . . . . 53188 1 28 . 1 1 30 30 LYS N N 15 1.3613 0.0593 . . . . . 53188 1 29 . 1 1 31 31 LEU N N 15 1.4144 0.0156 . . . . . 53188 1 30 . 1 1 32 32 ARG N N 15 1.3461 0.0272 . . . . . 53188 1 31 . 1 1 33 33 ASN N N 15 1.2590 0.0246 . . . . . 53188 1 32 . 1 1 34 34 ILE N N 15 1.2035 0.0355 . . . . . 53188 1 33 . 1 1 35 35 GLU N N 15 1.3103 0.0482 . . . . . 53188 1 34 . 1 1 36 36 LEU N N 15 1.2114 0.0346 . . . . . 53188 1 35 . 1 1 37 37 ILE N N 15 1.4667 0.0764 . . . . . 53188 1 36 . 1 1 38 38 CYS N N 15 1.2552 0.0364 . . . . . 53188 1 37 . 1 1 39 39 GLN N N 15 1.3179 0.0229 . . . . . 53188 1 38 . 1 1 40 40 GLU N N 15 1.1199 0.0129 . . . . . 53188 1 39 . 1 1 41 41 ASN N N 15 1.1429 0.0247 . . . . . 53188 1 40 . 1 1 42 42 GLU N N 15 0.9624 0.0068 . . . . . 53188 1 41 . 1 1 43 43 GLY N N 15 0.9392 0.0149 . . . . . 53188 1 42 . 1 1 44 44 GLU N N 15 1.0290 0.0093 . . . . . 53188 1 43 . 1 1 45 45 ASN N N 15 0.9691 0.0151 . . . . . 53188 1 44 . 1 1 46 46 ASP N N 15 1.0525 0.0209 . . . . . 53188 1 45 . 1 1 48 48 VAL N N 15 1.1571 0.0412 . . . . . 53188 1 46 . 1 1 49 49 LEU N N 15 1.3581 0.0350 . . . . . 53188 1 47 . 1 1 50 50 GLN N N 15 1.2912 0.0233 . . . . . 53188 1 48 . 1 1 51 51 ARG N N 15 1.2523 0.0293 . . . . . 53188 1 49 . 1 1 52 52 ILE N N 15 1.4265 0.0576 . . . . . 53188 1 50 . 1 1 53 53 VAL N N 15 1.3776 0.0378 . . . . . 53188 1 51 . 1 1 54 54 ASP N N 15 1.2650 0.0307 . . . . . 53188 1 52 . 1 1 55 55 ILE N N 15 1.3103 0.0285 . . . . . 53188 1 53 . 1 1 56 56 LEU N N 15 1.3187 0.0303 . . . . . 53188 1 54 . 1 1 57 57 TYR N N 15 1.4276 0.0452 . . . . . 53188 1 55 . 1 1 58 58 ALA N N 15 1.0985 0.0173 . . . . . 53188 1 56 . 1 1 59 59 THR N N 15 1.2749 0.0416 . . . . . 53188 1 57 . 1 1 60 60 ASP N N 15 1.1504 0.0224 . . . . . 53188 1 58 . 1 1 61 61 GLU N N 15 1.1233 0.0135 . . . . . 53188 1 59 . 1 1 62 62 GLY N N 15 1.0566 0.0240 . . . . . 53188 1 60 . 1 1 63 63 PHE N N 15 0.9809 0.0101 . . . . . 53188 1 61 . 1 1 64 64 VAL N N 15 1.0644 0.0177 . . . . . 53188 1 62 . 1 1 65 65 ILE N N 15 0.9781 0.0117 . . . . . 53188 1 63 . 1 1 67 67 ASP N N 15 1.0676 0.0081 . . . . . 53188 1 64 . 1 1 68 68 GLU N N 15 0.7744 0.0088 . . . . . 53188 1 65 . 1 1 69 69 GLY N N 15 0.8375 0.0083 . . . . . 53188 1 66 . 1 1 70 70 GLY N N 15 1.3057 0.0048 . . . . . 53188 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 53188 _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' . . . 53188 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 3 $software_3 . . 53188 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 1.4543 0.0233 . . . . . 53188 2 2 . 1 1 4 4 ALA N N 15 1.7397 0.0990 . . . . . 53188 2 3 . 1 1 5 5 GLU N N 15 1.7476 0.0828 . . . . . 53188 2 4 . 1 1 6 6 LEU N N 15 1.9175 0.0621 . . . . . 53188 2 5 . 1 1 7 7 MET N N 15 1.7253 0.1003 . . . . . 53188 2 6 . 1 1 8 8 GLN N N 15 1.6507 0.0741 . . . . . 53188 2 7 . 1 1 9 9 GLN N N 15 1.8245 0.0762 . . . . . 53188 2 8 . 1 1 10 10 VAL N N 15 1.8893 0.1235 . . . . . 53188 2 9 . 1 1 11 11 ASN N N 15 2.1510 0.1036 . . . . . 53188 2 10 . 1 1 12 12 VAL N N 15 1.9693 0.0923 . . . . . 53188 2 11 . 1 1 13 13 LEU N N 15 2.1645 0.0885 . . . . . 53188 2 12 . 1 1 14 14 LYS N N 15 2.0096 0.0933 . . . . . 53188 2 13 . 1 1 15 15 LEU N N 15 1.8295 0.0864 . . . . . 53188 2 14 . 1 1 16 16 THR N N 15 2.0056 0.0732 . . . . . 53188 2 15 . 1 1 17 17 VAL N N 15 1.8467 0.0900 . . . . . 53188 2 16 . 1 1 18 18 GLU N N 15 1.9539 0.1676 . . . . . 53188 2 17 . 1 1 19 19 ASP N N 15 1.8355 0.0704 . . . . . 53188 2 18 . 1 1 20 20 LEU N N 15 2.3267 0.1597 . . . . . 53188 2 19 . 1 1 21 21 GLU N N 15 2.0141 0.1253 . . . . . 53188 2 20 . 1 1 22 22 LYS N N 15 1.9984 0.0751 . . . . . 53188 2 21 . 1 1 23 23 GLU N N 15 1.9033 0.0482 . . . . . 53188 2 22 . 1 1 24 24 ARG N N 15 2.3901 0.1754 . . . . . 53188 2 23 . 1 1 25 25 ASP N N 15 1.9260 0.0386 . . . . . 53188 2 24 . 1 1 26 26 PHE N N 15 1.9778 0.1107 . . . . . 53188 2 25 . 1 1 27 27 TYR N N 15 2.0572 0.0732 . . . . . 53188 2 26 . 1 1 28 28 PHE N N 15 2.1524 0.1223 . . . . . 53188 2 27 . 1 1 29 29 GLY N N 15 1.9242 0.0911 . . . . . 53188 2 28 . 1 1 30 30 LYS N N 15 2.0165 0.0785 . . . . . 53188 2 29 . 1 1 31 31 LEU N N 15 1.9451 0.1230 . . . . . 53188 2 30 . 1 1 32 32 ARG N N 15 2.1336 0.1129 . . . . . 53188 2 31 . 1 1 33 33 ASN N N 15 1.8208 0.0663 . . . . . 53188 2 32 . 1 1 34 34 ILE N N 15 1.7603 0.1308 . . . . . 53188 2 33 . 1 1 35 35 GLU N N 15 1.7550 0.0970 . . . . . 53188 2 34 . 1 1 36 36 LEU N N 15 1.7918 0.1339 . . . . . 53188 2 35 . 1 1 37 37 ILE N N 15 1.6300 0.1453 . . . . . 53188 2 36 . 1 1 38 38 CYS N N 15 1.6895 0.0634 . . . . . 53188 2 37 . 1 1 39 39 GLN N N 15 1.6683 0.0685 . . . . . 53188 2 38 . 1 1 40 40 GLU N N 15 1.6418 0.0946 . . . . . 53188 2 39 . 1 1 41 41 ASN N N 15 1.6521 0.0718 . . . . . 53188 2 40 . 1 1 42 42 GLU N N 15 1.2686 0.0259 . . . . . 53188 2 41 . 1 1 43 43 GLY N N 15 1.1839 0.0322 . . . . . 53188 2 42 . 1 1 44 44 GLU N N 15 1.3034 0.0355 . . . . . 53188 2 43 . 1 1 45 45 ASN N N 15 1.2186 0.0147 . . . . . 53188 2 44 . 1 1 46 46 ASP N N 15 1.4263 0.0415 . . . . . 53188 2 45 . 1 1 48 48 VAL N N 15 1.6369 0.0386 . . . . . 53188 2 46 . 1 1 49 49 LEU N N 15 2.0475 0.0943 . . . . . 53188 2 47 . 1 1 50 50 GLN N N 15 1.9369 0.0596 . . . . . 53188 2 48 . 1 1 51 51 ARG N N 15 1.8525 0.1290 . . . . . 53188 2 49 . 1 1 52 52 ILE N N 15 2.2183 0.1393 . . . . . 53188 2 50 . 1 1 53 53 VAL N N 15 2.0521 0.1200 . . . . . 53188 2 51 . 1 1 54 54 ASP N N 15 1.8765 0.0648 . . . . . 53188 2 52 . 1 1 55 55 ILE N N 15 1.9524 0.1609 . . . . . 53188 2 53 . 1 1 56 56 LEU N N 15 1.7889 0.0640 . . . . . 53188 2 54 . 1 1 57 57 TYR N N 15 2.0969 0.1077 . . . . . 53188 2 55 . 1 1 58 58 ALA N N 15 1.5820 0.0481 . . . . . 53188 2 56 . 1 1 59 59 THR N N 15 1.9952 0.0533 . . . . . 53188 2 57 . 1 1 60 60 ASP N N 15 1.5718 0.0499 . . . . . 53188 2 58 . 1 1 61 61 GLU N N 15 1.5941 0.0277 . . . . . 53188 2 59 . 1 1 62 62 GLY N N 15 1.4550 0.0650 . . . . . 53188 2 60 . 1 1 63 63 PHE N N 15 1.2982 0.0319 . . . . . 53188 2 61 . 1 1 64 64 VAL N N 15 1.4663 0.0469 . . . . . 53188 2 62 . 1 1 65 65 ILE N N 15 1.3252 0.0446 . . . . . 53188 2 63 . 1 1 67 67 ASP N N 15 1.2108 0.0129 . . . . . 53188 2 64 . 1 1 68 68 GLU N N 15 0.8793 0.0082 . . . . . 53188 2 65 . 1 1 69 69 GLY N N 15 0.8755 0.0053 . . . . . 53188 2 66 . 1 1 70 70 GLY N N 15 1.3280 0.0139 . . . . . 53188 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 53188 _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 3 '2D 1H-15N T2-HSQC' . . . 53188 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 3 $software_3 . . 53188 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 0.0599 0.0009 . . . . . . . 53188 1 2 . 1 1 4 4 ALA N N 15 0.0571 0.0011 . . . . . . . 53188 1 3 . 1 1 5 5 GLU N N 15 0.0560 0.0010 . . . . . . . 53188 1 4 . 1 1 6 6 LEU N N 15 0.0426 0.0018 . . . . . . . 53188 1 5 . 1 1 7 7 MET N N 15 0.0462 0.0018 . . . . . . . 53188 1 6 . 1 1 8 8 GLN N N 15 0.0504 0.0008 . . . . . . . 53188 1 7 . 1 1 9 9 GLN N N 15 0.0528 0.0014 . . . . . . . 53188 1 8 . 1 1 10 10 VAL N N 15 0.0444 0.0013 . . . . . . . 53188 1 9 . 1 1 11 11 ASN N N 15 0.0472 0.0016 . . . . . . . 53188 1 10 . 1 1 12 12 VAL N N 15 0.0484 0.0009 . . . . . . . 53188 1 11 . 1 1 13 13 LEU N N 15 0.0489 0.0013 . . . . . . . 53188 1 12 . 1 1 14 14 LYS N N 15 0.0476 0.0013 . . . . . . . 53188 1 13 . 1 1 15 15 LEU N N 15 0.0500 0.0014 . . . . . . . 53188 1 14 . 1 1 16 16 THR N N 15 0.0472 0.0007 . . . . . . . 53188 1 15 . 1 1 17 17 VAL N N 15 0.0444 0.0010 . . . . . . . 53188 1 16 . 1 1 18 18 GLU N N 15 0.0462 0.0011 . . . . . . . 53188 1 17 . 1 1 19 19 ASP N N 15 0.0485 0.0008 . . . . . . . 53188 1 18 . 1 1 20 20 LEU N N 15 0.0481 0.0018 . . . . . . . 53188 1 19 . 1 1 21 21 GLU N N 15 0.0470 0.0007 . . . . . . . 53188 1 20 . 1 1 22 22 LYS N N 15 0.0459 0.0008 . . . . . . . 53188 1 21 . 1 1 23 23 GLU N N 15 0.0456 0.0012 . . . . . . . 53188 1 22 . 1 1 24 24 ARG N N 15 0.0454 0.0017 . . . . . . . 53188 1 23 . 1 1 25 25 ASP N N 15 0.0445 0.0008 . . . . . . . 53188 1 24 . 1 1 26 26 PHE N N 15 0.0468 0.0017 . . . . . . . 53188 1 25 . 1 1 27 27 TYR N N 15 0.0430 0.0012 . . . . . . . 53188 1 26 . 1 1 28 28 PHE N N 15 0.0467 0.0014 . . . . . . . 53188 1 27 . 1 1 29 29 GLY N N 15 0.0474 0.0030 . . . . . . . 53188 1 28 . 1 1 30 30 LYS N N 15 0.0478 0.0016 . . . . . . . 53188 1 29 . 1 1 31 31 LEU N N 15 0.0474 0.0019 . . . . . . . 53188 1 30 . 1 1 32 32 ARG N N 15 0.0475 0.0015 . . . . . . . 53188 1 31 . 1 1 33 33 ASN N N 15 0.0477 0.0007 . . . . . . . 53188 1 32 . 1 1 34 34 ILE N N 15 0.0461 0.0016 . . . . . . . 53188 1 33 . 1 1 35 35 GLU N N 15 0.0472 0.0012 . . . . . . . 53188 1 34 . 1 1 36 36 LEU N N 15 0.0481 0.0017 . . . . . . . 53188 1 35 . 1 1 37 37 ILE N N 15 0.0540 0.0022 . . . . . . . 53188 1 36 . 1 1 38 38 CYS N N 15 0.0454 0.0016 . . . . . . . 53188 1 37 . 1 1 39 39 GLN N N 15 0.0482 0.0015 . . . . . . . 53188 1 38 . 1 1 40 40 GLU N N 15 0.0567 0.0016 . . . . . . . 53188 1 39 . 1 1 41 41 ASN N N 15 0.0592 0.0010 . . . . . . . 53188 1 40 . 1 1 42 42 GLU N N 15 0.0799 0.0015 . . . . . . . 53188 1 41 . 1 1 43 43 GLY N N 15 0.0859 0.0019 . . . . . . . 53188 1 42 . 1 1 44 44 GLU N N 15 0.0680 0.0018 . . . . . . . 53188 1 43 . 1 1 45 45 ASN N N 15 0.0846 0.0015 . . . . . . . 53188 1 44 . 1 1 46 46 ASP N N 15 0.0831 0.0018 . . . . . . . 53188 1 45 . 1 1 48 48 VAL N N 15 0.0620 0.0016 . . . . . . . 53188 1 46 . 1 1 49 49 LEU N N 15 0.0503 0.0011 . . . . . . . 53188 1 47 . 1 1 50 50 GLN N N 15 0.0468 0.0010 . . . . . . . 53188 1 48 . 1 1 51 51 ARG N N 15 0.0501 0.0013 . . . . . . . 53188 1 49 . 1 1 52 52 ILE N N 15 0.0513 0.0013 . . . . . . . 53188 1 50 . 1 1 53 53 VAL N N 15 0.0479 0.0015 . . . . . . . 53188 1 51 . 1 1 54 54 ASP N N 15 0.0450 0.0006 . . . . . . . 53188 1 52 . 1 1 55 55 ILE N N 15 0.0503 0.0019 . . . . . . . 53188 1 53 . 1 1 56 56 LEU N N 15 0.0519 0.0058 . . . . . . . 53188 1 54 . 1 1 57 57 TYR N N 15 0.0495 0.0011 . . . . . . . 53188 1 55 . 1 1 58 58 ALA N N 15 0.0613 0.0019 . . . . . . . 53188 1 56 . 1 1 59 59 THR N N 15 0.0612 0.0019 . . . . . . . 53188 1 57 . 1 1 60 60 ASP N N 15 0.0682 0.0010 . . . . . . . 53188 1 58 . 1 1 61 61 GLU N N 15 0.0736 0.0016 . . . . . . . 53188 1 59 . 1 1 62 62 GLY N N 15 0.0692 0.0016 . . . . . . . 53188 1 60 . 1 1 63 63 PHE N N 15 0.0668 0.0014 . . . . . . . 53188 1 61 . 1 1 64 64 VAL N N 15 0.0588 0.0017 . . . . . . . 53188 1 62 . 1 1 65 65 ILE N N 15 0.0721 0.0015 . . . . . . . 53188 1 63 . 1 1 67 67 ASP N N 15 0.0878 0.0008 . . . . . . . 53188 1 64 . 1 1 68 68 GLU N N 15 0.2191 0.0056 . . . . . . . 53188 1 65 . 1 1 69 69 GLY N N 15 0.3443 0.0084 . . . . . . . 53188 1 66 . 1 1 70 70 GLY N N 15 0.6257 0.0183 . . . . . . . 53188 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 53188 _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' . . . 53188 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 3 $software_3 . . 53188 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 0.0514 0.0006 . . . . . . . 53188 2 2 . 1 1 4 4 ALA N N 15 0.0489 0.0007 . . . . . . . 53188 2 3 . 1 1 5 5 GLU N N 15 0.0450 0.0004 . . . . . . . 53188 2 4 . 1 1 6 6 LEU N N 15 0.0389 0.0017 . . . . . . . 53188 2 5 . 1 1 7 7 MET N N 15 0.0373 0.0008 . . . . . . . 53188 2 6 . 1 1 8 8 GLN N N 15 0.0431 0.0004 . . . . . . . 53188 2 7 . 1 1 9 9 GLN N N 15 0.0411 0.0007 . . . . . . . 53188 2 8 . 1 1 10 10 VAL N N 15 0.0408 0.0014 . . . . . . . 53188 2 9 . 1 1 11 11 ASN N N 15 0.0408 0.0007 . . . . . . . 53188 2 10 . 1 1 12 12 VAL N N 15 0.0415 0.0007 . . . . . . . 53188 2 11 . 1 1 13 13 LEU N N 15 0.0410 0.0012 . . . . . . . 53188 2 12 . 1 1 14 14 LYS N N 15 0.0426 0.0016 . . . . . . . 53188 2 13 . 1 1 15 15 LEU N N 15 0.0419 0.0012 . . . . . . . 53188 2 14 . 1 1 16 16 THR N N 15 0.0376 0.0005 . . . . . . . 53188 2 15 . 1 1 17 17 VAL N N 15 0.0395 0.0011 . . . . . . . 53188 2 16 . 1 1 18 18 GLU N N 15 0.0391 0.0005 . . . . . . . 53188 2 17 . 1 1 19 19 ASP N N 15 0.0392 0.0014 . . . . . . . 53188 2 18 . 1 1 20 20 LEU N N 15 0.0408 0.0011 . . . . . . . 53188 2 19 . 1 1 21 21 GLU N N 15 0.0388 0.0007 . . . . . . . 53188 2 20 . 1 1 22 22 LYS N N 15 0.0403 0.0008 . . . . . . . 53188 2 21 . 1 1 23 23 GLU N N 15 0.0400 0.0008 . . . . . . . 53188 2 22 . 1 1 24 24 ARG N N 15 0.0365 0.0012 . . . . . . . 53188 2 23 . 1 1 25 25 ASP N N 15 0.0390 0.0012 . . . . . . . 53188 2 24 . 1 1 26 26 PHE N N 15 0.0397 0.0008 . . . . . . . 53188 2 25 . 1 1 27 27 TYR N N 15 0.0379 0.0008 . . . . . . . 53188 2 26 . 1 1 28 28 PHE N N 15 0.0386 0.0009 . . . . . . . 53188 2 27 . 1 1 29 29 GLY N N 15 0.0411 0.0012 . . . . . . . 53188 2 28 . 1 1 30 30 LYS N N 15 0.0402 0.0011 . . . . . . . 53188 2 29 . 1 1 31 31 LEU N N 15 0.0372 0.0008 . . . . . . . 53188 2 30 . 1 1 32 32 ARG N N 15 0.0418 0.0015 . . . . . . . 53188 2 31 . 1 1 33 33 ASN N N 15 0.0405 0.0009 . . . . . . . 53188 2 32 . 1 1 34 34 ILE N N 15 0.0427 0.0019 . . . . . . . 53188 2 33 . 1 1 35 35 GLU N N 15 0.0403 0.0012 . . . . . . . 53188 2 34 . 1 1 36 36 LEU N N 15 0.0409 0.0014 . . . . . . . 53188 2 35 . 1 1 37 37 ILE N N 15 0.0433 0.0016 . . . . . . . 53188 2 36 . 1 1 38 38 CYS N N 15 0.0391 0.0011 . . . . . . . 53188 2 37 . 1 1 39 39 GLN N N 15 0.0432 0.0025 . . . . . . . 53188 2 38 . 1 1 40 40 GLU N N 15 0.0475 0.0008 . . . . . . . 53188 2 39 . 1 1 41 41 ASN N N 15 0.0494 0.0011 . . . . . . . 53188 2 40 . 1 1 42 42 GLU N N 15 0.0673 0.0009 . . . . . . . 53188 2 41 . 1 1 43 43 GLY N N 15 0.0749 0.0016 . . . . . . . 53188 2 42 . 1 1 44 44 GLU N N 15 0.0578 0.0008 . . . . . . . 53188 2 43 . 1 1 45 45 ASN N N 15 0.0722 0.0010 . . . . . . . 53188 2 44 . 1 1 46 46 ASP N N 15 0.0733 0.0020 . . . . . . . 53188 2 45 . 1 1 48 48 VAL N N 15 0.0488 0.0011 . . . . . . . 53188 2 46 . 1 1 49 49 LEU N N 15 0.0409 0.0015 . . . . . . . 53188 2 47 . 1 1 50 50 GLN N N 15 0.0381 0.0006 . . . . . . . 53188 2 48 . 1 1 51 51 ARG N N 15 0.0421 0.0007 . . . . . . . 53188 2 49 . 1 1 52 52 ILE N N 15 0.0417 0.0022 . . . . . . . 53188 2 50 . 1 1 53 53 VAL N N 15 0.0372 0.0007 . . . . . . . 53188 2 51 . 1 1 54 54 ASP N N 15 0.0383 0.0006 . . . . . . . 53188 2 52 . 1 1 55 55 ILE N N 15 0.0425 0.0007 . . . . . . . 53188 2 53 . 1 1 56 56 LEU N N 15 0.0436 0.0011 . . . . . . . 53188 2 54 . 1 1 57 57 TYR N N 15 0.0431 0.0012 . . . . . . . 53188 2 55 . 1 1 58 58 ALA N N 15 0.0523 0.0011 . . . . . . . 53188 2 56 . 1 1 59 59 THR N N 15 0.0501 0.0009 . . . . . . . 53188 2 57 . 1 1 60 60 ASP N N 15 0.0561 0.0004 . . . . . . . 53188 2 58 . 1 1 61 61 GLU N N 15 0.0625 0.0012 . . . . . . . 53188 2 59 . 1 1 62 62 GLY N N 15 0.0602 0.0014 . . . . . . . 53188 2 60 . 1 1 63 63 PHE N N 15 0.0542 0.0007 . . . . . . . 53188 2 61 . 1 1 64 64 VAL N N 15 0.0472 0.0010 . . . . . . . 53188 2 62 . 1 1 65 65 ILE N N 15 0.0634 0.0013 . . . . . . . 53188 2 63 . 1 1 67 67 ASP N N 15 0.0735 0.0005 . . . . . . . 53188 2 64 . 1 1 68 68 GLU N N 15 0.2065 0.0036 . . . . . . . 53188 2 65 . 1 1 69 69 GLY N N 15 0.3170 0.0115 . . . . . . . 53188 2 66 . 1 1 70 70 GLY N N 15 0.6511 0.0236 . . . . . . . 53188 2 stop_ save_