data_26512 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26512 _Entry.Title ; Thermal stability of chicken brain a-spectrin repeat 17: a spectroscopic study ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-02-17 _Entry.Accession_date 2015-02-17 _Entry.Last_release_date 2015-02-25 _Entry.Original_release_date 2015-02-25 _Entry.Origination BMRB _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _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.Entry_ID 1 Annette Brenner . K. . 26512 2 Bruno Kieffer . . . 26512 3 Gilles Trave . . . 26512 4 Nils Froystein . A. . 26512 5 Arnt Raae . J. . 26512 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Department of Chemistry, University of Bergen, PObox 7800, 5020 Bergen, Norway' . 26512 2 . 'IGBMC Biomolecular NMR Group, Illkirch Graffenstaden, France' . 26512 3 . 'Equipe Oncoproteines, IREBS, Illkirch Graffenstaden, France' . 26512 4 . 'Department of Molecular Biology, University of Bergen, PObox 7800, 5020 Bergen, Norway' . 26512 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 3 26512 heteronucl_T1_relaxation 1 26512 heteronucl_T2_relaxation 1 26512 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 25 26512 'T1 relaxation values' 65 26512 'T2 relaxation values' 65 26512 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 . . 2015-02-25 2015-02-17 original author . 26512 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26512 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22569754 _Citation.Full_citation . _Citation.Title 'Thermal stability of chicken brain a-spectrin repeat 17: a spectroscopic study' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 53 _Citation.Journal_issue 2 _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 71 _Citation.Page_last 83 _Citation.Year 2012 _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.Entry_ID _Citation_author.Citation_ID 1 Annette Brenner . K. . 26512 1 2 Bruno Kieffer . . . 26512 1 3 Gilles Trave . . . 26512 1 4 Nils Froystein . A. . 26512 1 5 Arnt Raae . J. . 26512 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26512 _Assembly.ID 1 _Assembly.Name a-spectrin _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _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 a-spectrin 1 $a-spectrin A . yes native no no . . . 26512 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_a-spectrin _Entity.Sf_category entity _Entity.Sf_framecode a-spectrin _Entity.Entry_ID 26512 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name a-spectrin _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 ; MARGQRLEESLEYQQFVANV EEEEAWINEKMTLVASEDYG DTLAAIQGLLKKHEAFETDF TVHKDRVNDVCANGEDLIKK NNHHVENITAKMKGLKGKVS DLEKAAAQRKAKLDENSA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _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 118 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 no BMRB 18260 . R17 . . . . . 100.00 118 100.00 100.00 1.27e-78 . . . . 26512 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 1 MET . 26512 1 2 2 ALA . 26512 1 3 3 ARG . 26512 1 4 4 GLY . 26512 1 5 5 GLN . 26512 1 6 6 ARG . 26512 1 7 7 LEU . 26512 1 8 8 GLU . 26512 1 9 9 GLU . 26512 1 10 10 SER . 26512 1 11 11 LEU . 26512 1 12 12 GLU . 26512 1 13 13 TYR . 26512 1 14 14 GLN . 26512 1 15 15 GLN . 26512 1 16 16 PHE . 26512 1 17 17 VAL . 26512 1 18 18 ALA . 26512 1 19 19 ASN . 26512 1 20 20 VAL . 26512 1 21 21 GLU . 26512 1 22 22 GLU . 26512 1 23 23 GLU . 26512 1 24 24 GLU . 26512 1 25 25 ALA . 26512 1 26 26 TRP . 26512 1 27 27 ILE . 26512 1 28 28 ASN . 26512 1 29 29 GLU . 26512 1 30 30 LYS . 26512 1 31 31 MET . 26512 1 32 32 THR . 26512 1 33 33 LEU . 26512 1 34 34 VAL . 26512 1 35 35 ALA . 26512 1 36 36 SER . 26512 1 37 37 GLU . 26512 1 38 38 ASP . 26512 1 39 39 TYR . 26512 1 40 40 GLY . 26512 1 41 41 ASP . 26512 1 42 42 THR . 26512 1 43 43 LEU . 26512 1 44 44 ALA . 26512 1 45 45 ALA . 26512 1 46 46 ILE . 26512 1 47 47 GLN . 26512 1 48 48 GLY . 26512 1 49 49 LEU . 26512 1 50 50 LEU . 26512 1 51 51 LYS . 26512 1 52 52 LYS . 26512 1 53 53 HIS . 26512 1 54 54 GLU . 26512 1 55 55 ALA . 26512 1 56 56 PHE . 26512 1 57 57 GLU . 26512 1 58 58 THR . 26512 1 59 59 ASP . 26512 1 60 60 PHE . 26512 1 61 61 THR . 26512 1 62 62 VAL . 26512 1 63 63 HIS . 26512 1 64 64 LYS . 26512 1 65 65 ASP . 26512 1 66 66 ARG . 26512 1 67 67 VAL . 26512 1 68 68 ASN . 26512 1 69 69 ASP . 26512 1 70 70 VAL . 26512 1 71 71 CYS . 26512 1 72 72 ALA . 26512 1 73 73 ASN . 26512 1 74 74 GLY . 26512 1 75 75 GLU . 26512 1 76 76 ASP . 26512 1 77 77 LEU . 26512 1 78 78 ILE . 26512 1 79 79 LYS . 26512 1 80 80 LYS . 26512 1 81 81 ASN . 26512 1 82 82 ASN . 26512 1 83 83 HIS . 26512 1 84 84 HIS . 26512 1 85 85 VAL . 26512 1 86 86 GLU . 26512 1 87 87 ASN . 26512 1 88 88 ILE . 26512 1 89 89 THR . 26512 1 90 90 ALA . 26512 1 91 91 LYS . 26512 1 92 92 MET . 26512 1 93 93 LYS . 26512 1 94 94 GLY . 26512 1 95 95 LEU . 26512 1 96 96 LYS . 26512 1 97 97 GLY . 26512 1 98 98 LYS . 26512 1 99 99 VAL . 26512 1 100 100 SER . 26512 1 101 101 ASP . 26512 1 102 102 LEU . 26512 1 103 103 GLU . 26512 1 104 104 LYS . 26512 1 105 105 ALA . 26512 1 106 106 ALA . 26512 1 107 107 ALA . 26512 1 108 108 GLN . 26512 1 109 109 ARG . 26512 1 110 110 LYS . 26512 1 111 111 ALA . 26512 1 112 112 LYS . 26512 1 113 113 LEU . 26512 1 114 114 ASP . 26512 1 115 115 GLU . 26512 1 116 116 ASN . 26512 1 117 117 SER . 26512 1 118 118 ALA . 26512 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 . MET 1 1 26512 1 . ALA 2 2 26512 1 . ARG 3 3 26512 1 . GLY 4 4 26512 1 . GLN 5 5 26512 1 . ARG 6 6 26512 1 . LEU 7 7 26512 1 . GLU 8 8 26512 1 . GLU 9 9 26512 1 . SER 10 10 26512 1 . LEU 11 11 26512 1 . GLU 12 12 26512 1 . TYR 13 13 26512 1 . GLN 14 14 26512 1 . GLN 15 15 26512 1 . PHE 16 16 26512 1 . VAL 17 17 26512 1 . ALA 18 18 26512 1 . ASN 19 19 26512 1 . VAL 20 20 26512 1 . GLU 21 21 26512 1 . GLU 22 22 26512 1 . GLU 23 23 26512 1 . GLU 24 24 26512 1 . ALA 25 25 26512 1 . TRP 26 26 26512 1 . ILE 27 27 26512 1 . ASN 28 28 26512 1 . GLU 29 29 26512 1 . LYS 30 30 26512 1 . MET 31 31 26512 1 . THR 32 32 26512 1 . LEU 33 33 26512 1 . VAL 34 34 26512 1 . ALA 35 35 26512 1 . SER 36 36 26512 1 . GLU 37 37 26512 1 . ASP 38 38 26512 1 . TYR 39 39 26512 1 . GLY 40 40 26512 1 . ASP 41 41 26512 1 . THR 42 42 26512 1 . LEU 43 43 26512 1 . ALA 44 44 26512 1 . ALA 45 45 26512 1 . ILE 46 46 26512 1 . GLN 47 47 26512 1 . GLY 48 48 26512 1 . LEU 49 49 26512 1 . LEU 50 50 26512 1 . LYS 51 51 26512 1 . LYS 52 52 26512 1 . HIS 53 53 26512 1 . GLU 54 54 26512 1 . ALA 55 55 26512 1 . PHE 56 56 26512 1 . GLU 57 57 26512 1 . THR 58 58 26512 1 . ASP 59 59 26512 1 . PHE 60 60 26512 1 . THR 61 61 26512 1 . VAL 62 62 26512 1 . HIS 63 63 26512 1 . LYS 64 64 26512 1 . ASP 65 65 26512 1 . ARG 66 66 26512 1 . VAL 67 67 26512 1 . ASN 68 68 26512 1 . ASP 69 69 26512 1 . VAL 70 70 26512 1 . CYS 71 71 26512 1 . ALA 72 72 26512 1 . ASN 73 73 26512 1 . GLY 74 74 26512 1 . GLU 75 75 26512 1 . ASP 76 76 26512 1 . LEU 77 77 26512 1 . ILE 78 78 26512 1 . LYS 79 79 26512 1 . LYS 80 80 26512 1 . ASN 81 81 26512 1 . ASN 82 82 26512 1 . HIS 83 83 26512 1 . HIS 84 84 26512 1 . VAL 85 85 26512 1 . GLU 86 86 26512 1 . ASN 87 87 26512 1 . ILE 88 88 26512 1 . THR 89 89 26512 1 . ALA 90 90 26512 1 . LYS 91 91 26512 1 . MET 92 92 26512 1 . LYS 93 93 26512 1 . GLY 94 94 26512 1 . LEU 95 95 26512 1 . LYS 96 96 26512 1 . GLY 97 97 26512 1 . LYS 98 98 26512 1 . VAL 99 99 26512 1 . SER 100 100 26512 1 . ASP 101 101 26512 1 . LEU 102 102 26512 1 . GLU 103 103 26512 1 . LYS 104 104 26512 1 . ALA 105 105 26512 1 . ALA 106 106 26512 1 . ALA 107 107 26512 1 . GLN 108 108 26512 1 . ARG 109 109 26512 1 . LYS 110 110 26512 1 . ALA 111 111 26512 1 . LYS 112 112 26512 1 . LEU 113 113 26512 1 . ASP 114 114 26512 1 . GLU 115 115 26512 1 . ASN 116 116 26512 1 . SER 117 117 26512 1 . ALA 118 118 26512 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 26512 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $a-spectrin . 9031 organism . 'Gallus gallus' Chicken . . Eukaryota Metazoa Gallus gallus . . . . . . . . . . . . . . . . . . . . . 26512 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 26512 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $a-spectrin . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . BL21(DE3) . . . 'pETM12 vector' . . 26512 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26512 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 a-spectrin '[U-100% 13C; U-100% 15N]' . . 1 $a-spectrin . . 200 . . uM . . . . 26512 1 2 D2O 'natural abundance' . . . . . . 10 . . % . . . . 26512 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26512 1 4 'Sodium phosphate buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 26512 1 5 NaCl 'natural abundance' . . . . . . 0.1 . . M . . . . 26512 1 6 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 26512 1 7 NaN3 'natural abundance' . . . . . . 0.05 . . % . . . . 26512 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 26512 _Sample_condition_list.ID 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 temperature 298 . K 26512 1 pH 6.8 . pH 26512 1 pressure 1 . atm 26512 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 26512 _Sample_condition_list.ID 2 _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 temperature 317 . K 26512 2 pH 6.8 . pH 26512 2 pressure 1 . atm 26512 2 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 26512 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26512 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26512 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 26512 _Software.ID 2 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 26512 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26512 2 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 26512 _Software.ID 3 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 26512 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'resonance assignment' 26512 3 stop_ save_ save_CCPNMR _Software.Sf_category software _Software.Sf_framecode CCPNMR _Software.Entry_ID 26512 _Software.ID 4 _Software.Name CCPNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 26512 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 26512 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 26512 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Biospin AV600' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 26512 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker 'Biospin AV600' . 600 . . . 26512 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 26512 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_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.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26512 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26512 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26512 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 26512 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 26512 1 C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 26512 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 26512 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 26512 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '3D HNCO' . . . 26512 1 3 '3D HN(CO)CA' . . . 26512 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $TOPSPIN . . 26512 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 25 25 ALA C C 13 176.4 . . 1 . . . . 25 ALA C 'Strong intensity peak' 26512 1 2 . 1 1 25 25 ALA CA C 13 57.8 . . 1 . . . . 25 ALA CA 'Strong intensity peak' 26512 1 3 . 1 1 33 33 LEU C C 13 180.1 . . 1 . . . . 33 LEU C 'Strong intensity peak' 26512 1 4 . 1 1 33 33 LEU CA C 13 57.8 . . 1 . . . . 33 LEU CA 'Strong intensity peak' 26512 1 5 . 1 1 57 57 GLU C C 13 180.2 . . 1 . . . . 57 GLU C 'Strong intensity peak' 26512 1 6 . 1 1 57 57 GLU CA C 13 60.2 . . 1 . . . . 57 GLU CA 'Strong intensity peak' 26512 1 7 . 1 1 60 60 PHE CA C 13 56.8 . . 1 . . . . 60 PHE CA 'Strong intensity peak' 26512 1 8 . 1 1 70 70 VAL C C 13 179.8 . . 1 . . . . 70 VAL C 'Strong intensity peak' 26512 1 9 . 1 1 70 70 VAL CA C 13 66 . . 1 . . . . 70 VAL CA 'Strong intensity peak' 26512 1 10 . 1 1 94 94 GLY C C 13 176.8 . . 1 . . . . 94 GLY C 'Strong intensity peak' 26512 1 11 . 1 1 94 94 GLY CA C 13 46.8 . . 1 . . . . 94 GLY CA 'Strong intensity peak' 26512 1 12 . 1 1 99 99 VAL C C 13 178.2 . . 1 . . . . 99 VAL C 'Strong intensity peak' 26512 1 13 . 1 1 99 99 VAL CA C 13 67.6 . . 1 . . . . 99 VAL CA 'Strong intensity peak' 26512 1 stop_ save_ save_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 26512 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '3D HNCO' . . . 26512 2 3 '3D HN(CO)CA' . . . 26512 2 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $TOPSPIN . . 26512 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 60 60 PHE C C 13 176.8 . . 1 . . . . 60 PHE C 'Medium intensity peak' 26512 2 2 . 1 1 94 94 GLY CA C 13 53.2 . . 1 . . . . 94 GLY CA 'Medium intensity peak' 26512 2 3 . 1 1 99 99 VAL C C 13 176.8 . . 1 . . . . 99 VAL C 'Medium intensity peak' 26512 2 stop_ save_ save_assigned_chem_shift_list_3 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_3 _Assigned_chem_shift_list.Entry_ID 26512 _Assigned_chem_shift_list.ID 3 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '3D HNCO' . . . 26512 3 3 '3D HN(CO)CA' . . . 26512 3 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $TOPSPIN . . 26512 3 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 25 25 ALA C C 13 180.8 . . 1 . . . . 25 ALA C 'Weak intensity peak' 26512 3 2 . 1 1 25 25 ALA CA C 13 55.1 . . 1 . . . . 25 ALA CA 'Weak intensity peak' 26512 3 3 . 1 1 33 33 LEU C C 13 177.6 . . 1 . . . . 33 LEU C 'Weak intensity peak' 26512 3 4 . 1 1 33 33 LEU CA C 13 52.2 . . 1 . . . . 33 LEU CA 'Weak intensity peak' 26512 3 5 . 1 1 57 57 GLU C C 13 176.8 . . 1 . . . . 57 GLU C 'Weak intensity peak' 26512 3 6 . 1 1 57 57 GLU CA C 13 57 . . 1 . . . . 57 GLU CA 'Weak intensity peak' 26512 3 7 . 1 1 70 70 VAL CA C 13 58 . . 1 . . . . 70 VAL CA 'Weak intensity peak' 26512 3 8 . 1 1 94 94 GLY CA C 13 40 . . 1 . . . . 94 GLY CA 'Weak intensity peak' 26512 3 9 . 1 1 99 99 VAL CA C 13 56.8 . . 1 . . . . 99 VAL CA 'Weak intensity peak' 26512 3 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronuclear_T1_list_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_1 _Heteronucl_T1_list.Entry_ID 26512 _Heteronucl_T1_list.ID 1 _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-1 _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 1 '2D 1H-15N HSQC' . . . 26512 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 1 $NMRPipe . . 26512 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 11 11 LEU N N 15 1.31 . . . . . . 26512 1 2 . 1 1 17 17 VAL N N 15 1.17 . . . . . . 26512 1 3 . 1 1 20 20 VAL N N 15 0.98 . . . . . . 26512 1 4 . 1 1 21 21 GLU N N 15 1.07 . . . . . . 26512 1 5 . 1 1 24 24 GLU N N 15 0.97 . . . . . . 26512 1 6 . 1 1 28 28 ASN N N 15 0.99 . . . . . . 26512 1 7 . 1 1 29 29 GLU N N 15 1.11 . . . . . . 26512 1 8 . 1 1 30 30 LYS N N 15 0.99 . . . . . . 26512 1 9 . 1 1 32 32 THR N N 15 1.09 . . . . . . 26512 1 10 . 1 1 33 33 LEU N N 15 1.02 . . . . . . 26512 1 11 . 1 1 34 34 VAL N N 15 0.96 . . . . . . 26512 1 12 . 1 1 35 35 ALA N N 15 1.21 . . . . . . 26512 1 13 . 1 1 37 37 GLU N N 15 1.57 . . . . . . 26512 1 14 . 1 1 38 38 ASP N N 15 1.20 . . . . . . 26512 1 15 . 1 1 39 39 TYR N N 15 1.41 . . . . . . 26512 1 16 . 1 1 40 40 GLY N N 15 1.44 . . . . . . 26512 1 17 . 1 1 43 43 LEU N N 15 1.20 . . . . . . 26512 1 18 . 1 1 44 44 ALA N N 15 1.32 . . . . . . 26512 1 19 . 1 1 45 45 ALA N N 15 1.25 . . . . . . 26512 1 20 . 1 1 48 48 GLY N N 15 1.21 . . . . . . 26512 1 21 . 1 1 50 50 LEU N N 15 0.99 . . . . . . 26512 1 22 . 1 1 51 51 LYS N N 15 1.10 . . . . . . 26512 1 23 . 1 1 52 52 LYS N N 15 1.06 . . . . . . 26512 1 24 . 1 1 53 53 HIS N N 15 1.01 . . . . . . 26512 1 25 . 1 1 54 54 GLU N N 15 0.93 . . . . . . 26512 1 26 . 1 1 55 55 ALA N N 15 1.15 . . . . . . 26512 1 27 . 1 1 56 56 PHE N N 15 1.03 . . . . . . 26512 1 28 . 1 1 57 57 GLU N N 15 0.99 . . . . . . 26512 1 29 . 1 1 58 58 THR N N 15 1.10 . . . . . . 26512 1 30 . 1 1 59 59 ASP N N 15 1.06 . . . . . . 26512 1 31 . 1 1 60 60 PHE N N 15 0.97 . . . . . . 26512 1 32 . 1 1 61 61 THR N N 15 1.02 . . . . . . 26512 1 33 . 1 1 62 62 VAL N N 15 1.09 . . . . . . 26512 1 34 . 1 1 64 64 LYS N N 15 1.04 . . . . . . 26512 1 35 . 1 1 65 65 ASP N N 15 1.09 . . . . . . 26512 1 36 . 1 1 66 66 ARG N N 15 1.04 . . . . . . 26512 1 37 . 1 1 67 67 VAL N N 15 0.95 . . . . . . 26512 1 38 . 1 1 68 68 ASN N N 15 1.08 . . . . . . 26512 1 39 . 1 1 69 69 ASP N N 15 1.04 . . . . . . 26512 1 40 . 1 1 71 71 CYS N N 15 1.07 . . . . . . 26512 1 41 . 1 1 72 72 ALA N N 15 1.03 . . . . . . 26512 1 42 . 1 1 74 74 GLY N N 15 0.97 . . . . . . 26512 1 43 . 1 1 78 78 ILE N N 15 1.05 . . . . . . 26512 1 44 . 1 1 80 80 LYS N N 15 1.05 . . . . . . 26512 1 45 . 1 1 85 85 VAL N N 15 1.12 . . . . . . 26512 1 46 . 1 1 86 86 GLU N N 15 1.19 . . . . . . 26512 1 47 . 1 1 89 89 THR N N 15 1.05 . . . . . . 26512 1 48 . 1 1 90 90 ALA N N 15 1.04 . . . . . . 26512 1 49 . 1 1 93 93 LYS N N 15 1.22 . . . . . . 26512 1 50 . 1 1 95 95 LEU N N 15 0.92 . . . . . . 26512 1 51 . 1 1 96 96 LYS N N 15 0.96 . . . . . . 26512 1 52 . 1 1 97 97 GLY N N 15 0.99 . . . . . . 26512 1 53 . 1 1 98 98 LYS N N 15 0.94 . . . . . . 26512 1 54 . 1 1 99 99 VAL N N 15 0.98 . . . . . . 26512 1 55 . 1 1 100 100 SER N N 15 0.92 . . . . . . 26512 1 56 . 1 1 103 103 GLU N N 15 0.93 . . . . . . 26512 1 57 . 1 1 104 104 LYS N N 15 0.96 . . . . . . 26512 1 58 . 1 1 105 105 ALA N N 15 0.91 . . . . . . 26512 1 59 . 1 1 106 106 ALA N N 15 0.97 . . . . . . 26512 1 60 . 1 1 107 107 ALA N N 15 0.95 . . . . . . 26512 1 61 . 1 1 108 108 GLN N N 15 0.94 . . . . . . 26512 1 62 . 1 1 110 110 LYS N N 15 0.97 . . . . . . 26512 1 63 . 1 1 111 111 ALA N N 15 1.04 . . . . . . 26512 1 64 . 1 1 112 112 LYS N N 15 0.95 . . . . . . 26512 1 65 . 1 1 114 114 ASP N N 15 1.06 . . . . . . 26512 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronuclear_T2_list_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_1 _Heteronucl_T2_list.Entry_ID 26512 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method 'no calibration applied' _Heteronucl_T2_list.Temp_control_method 'no temperature control applied' _Heteronucl_T2_list.Spectrometer_frequency_1H 600 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s-1 _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 1 '2D 1H-15N HSQC' . . . 26512 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 1 $NMRPipe . . 26512 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 11 11 LEU N N 15 18.45 . . . . . . . . 26512 1 2 . 1 1 17 17 VAL N N 15 17.89 . . . . . . . . 26512 1 3 . 1 1 20 20 VAL N N 15 16.98 . . . . . . . . 26512 1 4 . 1 1 21 21 GLU N N 15 15.02 . . . . . . . . 26512 1 5 . 1 1 24 24 GLU N N 15 19.65 . . . . . . . . 26512 1 6 . 1 1 28 28 ASN N N 15 18.52 . . . . . . . . 26512 1 7 . 1 1 29 29 GLU N N 15 15.75 . . . . . . . . 26512 1 8 . 1 1 30 30 LYS N N 15 18.22 . . . . . . . . 26512 1 9 . 1 1 32 32 THR N N 15 14.05 . . . . . . . . 26512 1 10 . 1 1 33 33 LEU N N 15 16.89 . . . . . . . . 26512 1 11 . 1 1 34 34 VAL N N 15 18.52 . . . . . . . . 26512 1 12 . 1 1 35 35 ALA N N 15 15.22 . . . . . . . . 26512 1 13 . 1 1 37 37 GLU N N 15 13.55 . . . . . . . . 26512 1 14 . 1 1 38 38 ASP N N 15 16.18 . . . . . . . . 26512 1 15 . 1 1 39 39 TYR N N 15 13.04 . . . . . . . . 26512 1 16 . 1 1 40 40 GLY N N 15 12.63 . . . . . . . . 26512 1 17 . 1 1 43 43 LEU N N 15 18.38 . . . . . . . . 26512 1 18 . 1 1 44 44 ALA N N 15 15.82 . . . . . . . . 26512 1 19 . 1 1 45 45 ALA N N 15 14.97 . . . . . . . . 26512 1 20 . 1 1 48 48 GLY N N 15 17.45 . . . . . . . . 26512 1 21 . 1 1 50 50 LEU N N 15 18.08 . . . . . . . . 26512 1 22 . 1 1 51 51 LYS N N 15 15.82 . . . . . . . . 26512 1 23 . 1 1 52 52 LYS N N 15 17.27 . . . . . . . . 26512 1 24 . 1 1 53 53 HIS N N 15 19.27 . . . . . . . . 26512 1 25 . 1 1 54 54 GLU N N 15 17.18 . . . . . . . . 26512 1 26 . 1 1 55 55 ALA N N 15 16.16 . . . . . . . . 26512 1 27 . 1 1 56 56 PHE N N 15 18.18 . . . . . . . . 26512 1 28 . 1 1 57 57 GLU N N 15 19.80 . . . . . . . . 26512 1 29 . 1 1 58 58 THR N N 15 16.50 . . . . . . . . 26512 1 30 . 1 1 59 59 ASP N N 15 16.78 . . . . . . . . 26512 1 31 . 1 1 60 60 PHE N N 15 19.42 . . . . . . . . 26512 1 32 . 1 1 61 61 THR N N 15 18.12 . . . . . . . . 26512 1 33 . 1 1 62 62 VAL N N 15 16.86 . . . . . . . . 26512 1 34 . 1 1 64 64 LYS N N 15 17.70 . . . . . . . . 26512 1 35 . 1 1 65 65 ASP N N 15 16.37 . . . . . . . . 26512 1 36 . 1 1 66 66 ARG N N 15 18.80 . . . . . . . . 26512 1 37 . 1 1 67 67 VAL N N 15 19.27 . . . . . . . . 26512 1 38 . 1 1 68 68 ASN N N 15 17.33 . . . . . . . . 26512 1 39 . 1 1 69 69 ASP N N 15 16.50 . . . . . . . . 26512 1 40 . 1 1 71 71 CYS N N 15 20.49 . . . . . . . . 26512 1 41 . 1 1 72 72 ALA N N 15 17.36 . . . . . . . . 26512 1 42 . 1 1 74 74 GLY N N 15 19.96 . . . . . . . . 26512 1 43 . 1 1 78 78 ILE N N 15 18.28 . . . . . . . . 26512 1 44 . 1 1 80 80 LYS N N 15 16.67 . . . . . . . . 26512 1 45 . 1 1 85 85 VAL N N 15 19.65 . . . . . . . . 26512 1 46 . 1 1 86 86 GLU N N 15 20.28 . . . . . . . . 26512 1 47 . 1 1 89 89 THR N N 15 19.23 . . . . . . . . 26512 1 48 . 1 1 90 90 ALA N N 15 19.42 . . . . . . . . 26512 1 49 . 1 1 93 93 LYS N N 15 19.01 . . . . . . . . 26512 1 50 . 1 1 95 95 LEU N N 15 18.62 . . . . . . . . 26512 1 51 . 1 1 96 96 LYS N N 15 18.35 . . . . . . . . 26512 1 52 . 1 1 97 97 GLY N N 15 18.94 . . . . . . . . 26512 1 53 . 1 1 98 98 LYS N N 15 18.05 . . . . . . . . 26512 1 54 . 1 1 99 99 VAL N N 15 18.02 . . . . . . . . 26512 1 55 . 1 1 100 100 SER N N 15 18.32 . . . . . . . . 26512 1 56 . 1 1 103 103 GLU N N 15 18.94 . . . . . . . . 26512 1 57 . 1 1 104 104 LYS N N 15 17.64 . . . . . . . . 26512 1 58 . 1 1 105 105 ALA N N 15 18.15 . . . . . . . . 26512 1 59 . 1 1 106 106 ALA N N 15 18.55 . . . . . . . . 26512 1 60 . 1 1 107 107 ALA N N 15 17.73 . . . . . . . . 26512 1 61 . 1 1 108 108 GLN N N 15 18.45 . . . . . . . . 26512 1 62 . 1 1 110 110 LYS N N 15 19.38 . . . . . . . . 26512 1 63 . 1 1 111 111 ALA N N 15 18.59 . . . . . . . . 26512 1 64 . 1 1 112 112 LYS N N 15 18.12 . . . . . . . . 26512 1 65 . 1 1 114 114 ASP N N 15 16.50 . . . . . . . . 26512 1 stop_ save_