data_26506 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26506 _Entry.Title ; Analysis of 15N-1H NMR Relaxation in Proteins by a Combined Experimental and Molecular Dynamics Simulation Approach: Picosecond-Nanosecond Dynamics of the Rho GTPase Binding Domain of Plexin-B1 in the Dimeric State Indicates Allosteric Pathways ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-01-29 _Entry.Accession_date 2015-01-29 _Entry.Last_release_date 2015-07-14 _Entry.Original_release_date 2015-07-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _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.ORCID _Entry_author.Entry_ID 1 Mirco Zerbetto . . . . 26506 2 Ross Anderson . . . . 26506 3 Sabine Bouguet-Bonnet . . . . 26506 4 Mariano Rech . . . . 26506 5 Liqun Zhang . . . . 26506 6 Eva Meirovitch . . . . 26506 7 Anonino Polimeno . . . . 26506 8 Matthias Buck . . . . 26506 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID heteronucl_NOEs 2 26506 heteronucl_T1_relaxation 2 26506 heteronucl_T2_relaxation 2 26506 order_parameters 1 26506 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID 'T1 relaxation values' 194 26506 'T2 relaxation values' 194 26506 'heteronuclear NOE values' 194 26506 'order parameters' 68 26506 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 2 . . 2015-07-14 2015-01-29 update BMRB 'order parameters' 26506 1 . . 2015-02-09 2015-01-29 original author 'original release' 26506 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26506 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23214953 _Citation.Full_citation . _Citation.Title ; Analysis of 15N-1H NMR Relaxation in Proteins by a Combined Experimental and Molecular Dynamics Simulation Approach: Picosecond-Nanosecond Dynamics of the Rho GTPase Binding Domain of Plexin-B1 in the Dimeric State Indicates Allosteric Pathways ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Phys. Chem. B' _Citation.Journal_name_full . _Citation.Journal_volume 117 _Citation.Journal_issue 1 _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 174 _Citation.Page_last 184 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Mirco Zerbetto . . . . 26506 1 2 Ross Anderson . . . . 26506 1 3 Sabine Bouguet-Bonnet . . . . 26506 1 4 Mariano Rech . . . . 26506 1 5 Liqun Zhang . . . . 26506 1 6 Eva Meirovitch . . . . 26506 1 7 Anonino Polimeno . . . . 26506 1 8 Matthias Buck . . . . 26506 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26506 _Assembly.ID 1 _Assembly.Name 'Rho-GTPase Binding Domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 13590.70 _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 'Rho-GTPase Binding Domain' 1 $RBD A . yes native no no . . . 26506 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 PDB 2JPH . . 'solution NMR' . 'Human Plexin-B1 data' . 26506 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RBD _Entity.Sf_category entity _Entity.Sf_framecode RBD _Entity.Entry_ID 26506 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RBD _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 ; KKDVEYRPLTLNALLAVGPG AGEAQGVPVKVLDCDTISQA KEKMLDQLYKGVPLTQRPDP RTLDVEWRSGVAGHLILSDE DVTSEVQGLFRRLNTLQHYK VPDGATVALVPCLTKHVLRE NK ; _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 122 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not available' _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 . 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 LYS . 26506 1 2 2 LYS . 26506 1 3 3 ASP . 26506 1 4 4 VAL . 26506 1 5 5 GLU . 26506 1 6 6 TYR . 26506 1 7 7 ARG . 26506 1 8 8 PRO . 26506 1 9 9 LEU . 26506 1 10 10 THR . 26506 1 11 11 LEU . 26506 1 12 12 ASN . 26506 1 13 13 ALA . 26506 1 14 14 LEU . 26506 1 15 15 LEU . 26506 1 16 16 ALA . 26506 1 17 17 VAL . 26506 1 18 18 GLY . 26506 1 19 19 PRO . 26506 1 20 20 GLY . 26506 1 21 21 ALA . 26506 1 22 22 GLY . 26506 1 23 23 GLU . 26506 1 24 24 ALA . 26506 1 25 25 GLN . 26506 1 26 26 GLY . 26506 1 27 27 VAL . 26506 1 28 28 PRO . 26506 1 29 29 VAL . 26506 1 30 30 LYS . 26506 1 31 31 VAL . 26506 1 32 32 LEU . 26506 1 33 33 ASP . 26506 1 34 34 CYS . 26506 1 35 35 ASP . 26506 1 36 36 THR . 26506 1 37 37 ILE . 26506 1 38 38 SER . 26506 1 39 39 GLN . 26506 1 40 40 ALA . 26506 1 41 41 LYS . 26506 1 42 42 GLU . 26506 1 43 43 LYS . 26506 1 44 44 MET . 26506 1 45 45 LEU . 26506 1 46 46 ASP . 26506 1 47 47 GLN . 26506 1 48 48 LEU . 26506 1 49 49 TYR . 26506 1 50 50 LYS . 26506 1 51 51 GLY . 26506 1 52 52 VAL . 26506 1 53 53 PRO . 26506 1 54 54 LEU . 26506 1 55 55 THR . 26506 1 56 56 GLN . 26506 1 57 57 ARG . 26506 1 58 58 PRO . 26506 1 59 59 ASP . 26506 1 60 60 PRO . 26506 1 61 61 ARG . 26506 1 62 62 THR . 26506 1 63 63 LEU . 26506 1 64 64 ASP . 26506 1 65 65 VAL . 26506 1 66 66 GLU . 26506 1 67 67 TRP . 26506 1 68 68 ARG . 26506 1 69 69 SER . 26506 1 70 70 GLY . 26506 1 71 71 VAL . 26506 1 72 72 ALA . 26506 1 73 73 GLY . 26506 1 74 74 HIS . 26506 1 75 75 LEU . 26506 1 76 76 ILE . 26506 1 77 77 LEU . 26506 1 78 78 SER . 26506 1 79 79 ASP . 26506 1 80 80 GLU . 26506 1 81 81 ASP . 26506 1 82 82 VAL . 26506 1 83 83 THR . 26506 1 84 84 SER . 26506 1 85 85 GLU . 26506 1 86 86 VAL . 26506 1 87 87 GLN . 26506 1 88 88 GLY . 26506 1 89 89 LEU . 26506 1 90 90 PHE . 26506 1 91 91 ARG . 26506 1 92 92 ARG . 26506 1 93 93 LEU . 26506 1 94 94 ASN . 26506 1 95 95 THR . 26506 1 96 96 LEU . 26506 1 97 97 GLN . 26506 1 98 98 HIS . 26506 1 99 99 TYR . 26506 1 100 100 LYS . 26506 1 101 101 VAL . 26506 1 102 102 PRO . 26506 1 103 103 ASP . 26506 1 104 104 GLY . 26506 1 105 105 ALA . 26506 1 106 106 THR . 26506 1 107 107 VAL . 26506 1 108 108 ALA . 26506 1 109 109 LEU . 26506 1 110 110 VAL . 26506 1 111 111 PRO . 26506 1 112 112 CYS . 26506 1 113 113 LEU . 26506 1 114 114 THR . 26506 1 115 115 LYS . 26506 1 116 116 HIS . 26506 1 117 117 VAL . 26506 1 118 118 LEU . 26506 1 119 119 ARG . 26506 1 120 120 GLU . 26506 1 121 121 ASN . 26506 1 122 122 LYS . 26506 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 . LYS 1 1 26506 1 . LYS 2 2 26506 1 . ASP 3 3 26506 1 . VAL 4 4 26506 1 . GLU 5 5 26506 1 . TYR 6 6 26506 1 . ARG 7 7 26506 1 . PRO 8 8 26506 1 . LEU 9 9 26506 1 . THR 10 10 26506 1 . LEU 11 11 26506 1 . ASN 12 12 26506 1 . ALA 13 13 26506 1 . LEU 14 14 26506 1 . LEU 15 15 26506 1 . ALA 16 16 26506 1 . VAL 17 17 26506 1 . GLY 18 18 26506 1 . PRO 19 19 26506 1 . GLY 20 20 26506 1 . ALA 21 21 26506 1 . GLY 22 22 26506 1 . GLU 23 23 26506 1 . ALA 24 24 26506 1 . GLN 25 25 26506 1 . GLY 26 26 26506 1 . VAL 27 27 26506 1 . PRO 28 28 26506 1 . VAL 29 29 26506 1 . LYS 30 30 26506 1 . VAL 31 31 26506 1 . LEU 32 32 26506 1 . ASP 33 33 26506 1 . CYS 34 34 26506 1 . ASP 35 35 26506 1 . THR 36 36 26506 1 . ILE 37 37 26506 1 . SER 38 38 26506 1 . GLN 39 39 26506 1 . ALA 40 40 26506 1 . LYS 41 41 26506 1 . GLU 42 42 26506 1 . LYS 43 43 26506 1 . MET 44 44 26506 1 . LEU 45 45 26506 1 . ASP 46 46 26506 1 . GLN 47 47 26506 1 . LEU 48 48 26506 1 . TYR 49 49 26506 1 . LYS 50 50 26506 1 . GLY 51 51 26506 1 . VAL 52 52 26506 1 . PRO 53 53 26506 1 . LEU 54 54 26506 1 . THR 55 55 26506 1 . GLN 56 56 26506 1 . ARG 57 57 26506 1 . PRO 58 58 26506 1 . ASP 59 59 26506 1 . PRO 60 60 26506 1 . ARG 61 61 26506 1 . THR 62 62 26506 1 . LEU 63 63 26506 1 . ASP 64 64 26506 1 . VAL 65 65 26506 1 . GLU 66 66 26506 1 . TRP 67 67 26506 1 . ARG 68 68 26506 1 . SER 69 69 26506 1 . GLY 70 70 26506 1 . VAL 71 71 26506 1 . ALA 72 72 26506 1 . GLY 73 73 26506 1 . HIS 74 74 26506 1 . LEU 75 75 26506 1 . ILE 76 76 26506 1 . LEU 77 77 26506 1 . SER 78 78 26506 1 . ASP 79 79 26506 1 . GLU 80 80 26506 1 . ASP 81 81 26506 1 . VAL 82 82 26506 1 . THR 83 83 26506 1 . SER 84 84 26506 1 . GLU 85 85 26506 1 . VAL 86 86 26506 1 . GLN 87 87 26506 1 . GLY 88 88 26506 1 . LEU 89 89 26506 1 . PHE 90 90 26506 1 . ARG 91 91 26506 1 . ARG 92 92 26506 1 . LEU 93 93 26506 1 . ASN 94 94 26506 1 . THR 95 95 26506 1 . LEU 96 96 26506 1 . GLN 97 97 26506 1 . HIS 98 98 26506 1 . TYR 99 99 26506 1 . LYS 100 100 26506 1 . VAL 101 101 26506 1 . PRO 102 102 26506 1 . ASP 103 103 26506 1 . GLY 104 104 26506 1 . ALA 105 105 26506 1 . THR 106 106 26506 1 . VAL 107 107 26506 1 . ALA 108 108 26506 1 . LEU 109 109 26506 1 . VAL 110 110 26506 1 . PRO 111 111 26506 1 . CYS 112 112 26506 1 . LEU 113 113 26506 1 . THR 114 114 26506 1 . LYS 115 115 26506 1 . HIS 116 116 26506 1 . VAL 117 117 26506 1 . LEU 118 118 26506 1 . ARG 119 119 26506 1 . GLU 120 120 26506 1 . ASN 121 121 26506 1 . LYS 122 122 26506 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 26506 _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 $RBD . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 26506 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 26506 _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 $RBD . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pet11a . . . 26506 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26506 _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 RBD '[U-15N 100%]' . . 1 $RBD . . .75 . . mM . . . . 26506 1 2 DTT 'natural abundance' . . . . . . 4 . . mM . . . . 26506 1 3 MgCl2 'natural abundance' . . . . . . 4 . . mM . . . . 26506 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26506 1 5 D20 'natural abundance' . . . . . . 10 . . % . . . . 26506 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 26506 _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 pH 6.8 . pH 26506 1 pressure 1.0 . atm 26506 1 temperature 298 . K 26506 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 26506 _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' . . 26506 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26506 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 26506 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 26506 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak intensities' 26506 2 stop_ save_ save_Curvefit _Software.Sf_category software _Software.Sf_framecode Curvefit _Software.Entry_ID 26506 _Software.ID 3 _Software.Name Curvefit _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Palmer . . 26506 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 26506 3 stop_ save_ save_ModelFree _Software.Sf_category software _Software.Sf_framecode ModelFree _Software.Entry_ID 26506 _Software.ID 4 _Software.Name ModelFree _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Palmer . . 26506 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 26506 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 26506 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 26506 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 26506 _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 DRX . 600 . . . 26506 1 2 spectrometer_2 Bruker DRX . 800 . . . 26506 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 26506 _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 . . . . . . . . . . . . . . . . 26506 1 2 '15N-{1H} NOE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26506 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26506 1 4 '15N-{1H} NOE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26506 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_1 _Heteronucl_NOE_list.Entry_ID 26506 _Heteronucl_NOE_list.ID 1 _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 'peak height' _Heteronucl_NOE_list.NOE_ref_val 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 2 '15N-{1H} NOE' . . . 26506 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 2 2 LYS N N 15 . 1 1 2 2 LYS H H 1 -1.094 0.034 . . . 2 K N . 2 K H 26506 1 2 . 1 1 3 3 ASP N N 15 . 1 1 3 3 ASP H H 1 -0.472 0.028 . . . 3 D N . 3 D H 26506 1 3 . 1 1 4 4 VAL N N 15 . 1 1 4 4 VAL H H 1 -0.148 0.069 . . . 4 V N . 4 V H 26506 1 4 . 1 1 5 5 GLU N N 15 . 1 1 5 5 GLU H H 1 0.08 0.113 . . . 5 E N . 5 E H 26506 1 5 . 1 1 6 6 TYR N N 15 . 1 1 6 6 TYR H H 1 0.339 0.038 . . . 6 Y N . 6 Y H 26506 1 6 . 1 1 7 7 ARG N N 15 . 1 1 7 7 ARG H H 1 0.7 0.022 . . . 7 R N . 7 R H 26506 1 7 . 1 1 9 9 LEU N N 15 . 1 1 9 9 LEU H H 1 0.793 0.02 . . . 9 L N . 9 L H 26506 1 8 . 1 1 10 10 THR N N 15 . 1 1 10 10 THR H H 1 0.838 0.019 . . . 10 T N . 10 T H 26506 1 9 . 1 1 11 11 LEU N N 15 . 1 1 11 11 LEU H H 1 0.899 0.021 . . . 11 L N . 11 L H 26506 1 10 . 1 1 12 12 ASN N N 15 . 1 1 12 12 ASN H H 1 0.865 0.02 . . . 12 N N . 12 N H 26506 1 11 . 1 1 13 13 ALA N N 15 . 1 1 13 13 ALA H H 1 0.93 0.025 . . . 13 A N . 13 A H 26506 1 12 . 1 1 14 14 LEU N N 15 . 1 1 14 14 LEU H H 1 0.891 0.02 . . . 14 L N . 14 L H 26506 1 13 . 1 1 15 15 LEU N N 15 . 1 1 15 15 LEU H H 1 0.729 0.021 . . . 15 L N . 15 L H 26506 1 14 . 1 1 16 16 ALA N N 15 . 1 1 16 16 ALA H H 1 0.824 0.023 . . . 16 A N . 16 A H 26506 1 15 . 1 1 17 17 VAL N N 15 . 1 1 17 17 VAL H H 1 0.64 0.022 . . . 17 V N . 17 V H 26506 1 16 . 1 1 18 18 GLY N N 15 . 1 1 18 18 GLY H H 1 0.421 0.032 . . . 18 G N . 18 G H 26506 1 17 . 1 1 20 20 GLY N N 15 . 1 1 20 20 GLY H H 1 0.306 0.091 . . . 20 G N . 20 G H 26506 1 18 . 1 1 21 21 ALA N N 15 . 1 1 21 21 ALA H H 1 0.394 0.033 . . . 21 A N . 21 A H 26506 1 19 . 1 1 22 22 GLY N N 15 . 1 1 22 22 GLY H H 1 0.259 0.06 . . . 22 G N . 22 G H 26506 1 20 . 1 1 23 23 GLU N N 15 . 1 1 23 23 GLU H H 1 0.298 0.041 . . . 23 E N . 23 E H 26506 1 21 . 1 1 24 24 ALA N N 15 . 1 1 24 24 ALA H H 1 0.273 0.039 . . . 24 A N . 24 A H 26506 1 22 . 1 1 25 25 GLN N N 15 . 1 1 25 25 GLN H H 1 0.295 0.034 . . . 25 Q N . 25 Q H 26506 1 23 . 1 1 26 26 GLY N N 15 . 1 1 26 26 GLY H H 1 0.562 0.02 . . . 26 G N . 26 G H 26506 1 24 . 1 1 27 27 VAL N N 15 . 1 1 27 27 VAL H H 1 0.864 0.028 . . . 27 V N . 27 V H 26506 1 25 . 1 1 29 29 VAL N N 15 . 1 1 29 29 VAL H H 1 0.902 0.019 . . . 29 V N . 29 V H 26506 1 26 . 1 1 30 30 LYS N N 15 . 1 1 30 30 LYS H H 1 0.785 0.021 . . . 30 K N . 30 K H 26506 1 27 . 1 1 31 31 VAL N N 15 . 1 1 31 31 VAL H H 1 0.849 0.023 . . . 31 V N . 31 V H 26506 1 28 . 1 1 32 32 LEU N N 15 . 1 1 32 32 LEU H H 1 0.849 0.02 . . . 32 L N . 32 L H 26506 1 29 . 1 1 33 33 ASP N N 15 . 1 1 33 33 ASP H H 1 0.864 0.023 . . . 33 D N . 33 D H 26506 1 30 . 1 1 34 34 CYS N N 15 . 1 1 34 34 CYS H H 1 0.862 0.025 . . . 34 C N . 34 C H 26506 1 31 . 1 1 36 36 THR N N 15 . 1 1 36 36 THR H H 1 0.904 0.03 . . . 36 T N . 36 T H 26506 1 32 . 1 1 37 37 ILE N N 15 . 1 1 37 37 ILE H H 1 0.868 0.066 . . . 37 I N . 37 I H 26506 1 33 . 1 1 39 39 GLN N N 15 . 1 1 39 39 GLN H H 1 0.908 0.029 . . . 39 Q N . 39 Q H 26506 1 34 . 1 1 40 40 ALA N N 15 . 1 1 40 40 ALA H H 1 0.91 0.025 . . . 40 A N . 40 A H 26506 1 35 . 1 1 41 41 LYS N N 15 . 1 1 41 41 LYS H H 1 0.845 0.026 . . . 41 K N . 41 K H 26506 1 36 . 1 1 42 42 GLU N N 15 . 1 1 42 42 GLU H H 1 0.842 0.023 . . . 42 E N . 42 E H 26506 1 37 . 1 1 43 43 LYS N N 15 . 1 1 43 43 LYS H H 1 0.907 0.026 . . . 43 K N . 43 K H 26506 1 38 . 1 1 44 44 MET N N 15 . 1 1 44 44 MET H H 1 0.887 0.023 . . . 44 M N . 44 M H 26506 1 39 . 1 1 45 45 LEU N N 15 . 1 1 45 45 LEU H H 1 0.923 0.024 . . . 45 L N . 45 L H 26506 1 40 . 1 1 46 46 ASP N N 15 . 1 1 46 46 ASP H H 1 0.866 0.027 . . . 46 D N . 46 D H 26506 1 41 . 1 1 47 47 GLN N N 15 . 1 1 47 47 GLN H H 1 0.851 0.025 . . . 47 Q N . 47 Q H 26506 1 42 . 1 1 48 48 LEU N N 15 . 1 1 48 48 LEU H H 1 0.853 0.027 . . . 48 L N . 48 L H 26506 1 43 . 1 1 49 49 TYR N N 15 . 1 1 49 49 TYR H H 1 0.857 0.023 . . . 49 Y N . 49 Y H 26506 1 44 . 1 1 50 50 LYS N N 15 . 1 1 50 50 LYS H H 1 0.793 0.02 . . . 50 K N . 50 K H 26506 1 45 . 1 1 51 51 GLY N N 15 . 1 1 51 51 GLY H H 1 0.681 0.049 . . . 51 G N . 51 G H 26506 1 46 . 1 1 52 52 VAL N N 15 . 1 1 52 52 VAL H H 1 0.746 0.023 . . . 52 V N . 52 V H 26506 1 47 . 1 1 54 54 LEU N N 15 . 1 1 54 54 LEU H H 1 0.658 0.027 . . . 54 L N . 54 L H 26506 1 48 . 1 1 55 55 THR N N 15 . 1 1 55 55 THR H H 1 0.65 0.042 . . . 55 T N . 55 T H 26506 1 49 . 1 1 56 56 GLN N N 15 . 1 1 56 56 GLN H H 1 0.71 0.022 . . . 56 Q N . 56 Q H 26506 1 50 . 1 1 57 57 ARG N N 15 . 1 1 57 57 ARG H H 1 0.654 0.025 . . . 57 R N . 57 R H 26506 1 51 . 1 1 61 61 ARG N N 15 . 1 1 61 61 ARG H H 1 0.815 0.023 . . . 61 R N . 61 R H 26506 1 52 . 1 1 62 62 THR N N 15 . 1 1 62 62 THR H H 1 0.772 0.038 . . . 62 T N . 62 T H 26506 1 53 . 1 1 63 63 LEU N N 15 . 1 1 63 63 LEU H H 1 0.881 0.024 . . . 63 L N . 63 L H 26506 1 54 . 1 1 64 64 ASP N N 15 . 1 1 64 64 ASP H H 1 0.876 0.021 . . . 64 D N . 64 D H 26506 1 55 . 1 1 65 65 VAL N N 15 . 1 1 65 65 VAL H H 1 0.882 0.032 . . . 65 V N . 65 V H 26506 1 56 . 1 1 66 66 GLU N N 15 . 1 1 66 66 GLU H H 1 0.953 0.024 . . . 66 E N . 66 E H 26506 1 57 . 1 1 67 67 TRP N N 15 . 1 1 67 67 TRP H H 1 0.879 0.023 . . . 67 W N . 67 W H 26506 1 58 . 1 1 68 68 ARG N N 15 . 1 1 68 68 ARG H H 1 0.862 0.019 . . . 68 R N . 68 R H 26506 1 59 . 1 1 69 69 SER N N 15 . 1 1 69 69 SER H H 1 0.689 0.024 . . . 69 S N . 69 S H 26506 1 60 . 1 1 70 70 GLY N N 15 . 1 1 70 70 GLY H H 1 0.723 0.117 . . . 70 G N . 70 G H 26506 1 61 . 1 1 71 71 VAL N N 15 . 1 1 71 71 VAL H H 1 0.412 0.049 . . . 71 V N . 71 V H 26506 1 62 . 1 1 72 72 ALA N N 15 . 1 1 72 72 ALA H H 1 0.491 0.041 . . . 72 A N . 72 A H 26506 1 63 . 1 1 73 73 GLY N N 15 . 1 1 73 73 GLY H H 1 0.568 0.03 . . . 73 G N . 73 G H 26506 1 64 . 1 1 74 74 HIS N N 15 . 1 1 74 74 HIS H H 1 0.642 0.026 . . . 74 H N . 74 H H 26506 1 65 . 1 1 75 75 LEU N N 15 . 1 1 75 75 LEU H H 1 0.847 0.02 . . . 75 L N . 75 L H 26506 1 66 . 1 1 76 76 ILE N N 15 . 1 1 76 76 ILE H H 1 0.818 0.019 . . . 76 I N . 76 I H 26506 1 67 . 1 1 77 77 LEU N N 15 . 1 1 77 77 LEU H H 1 0.936 0.027 . . . 77 L N . 77 L H 26506 1 68 . 1 1 78 78 SER N N 15 . 1 1 78 78 SER H H 1 0.796 0.024 . . . 78 S N . 78 S H 26506 1 69 . 1 1 79 79 ASP N N 15 . 1 1 79 79 ASP H H 1 0.817 0.031 . . . 79 D N . 79 D H 26506 1 70 . 1 1 80 80 GLU N N 15 . 1 1 80 80 GLU H H 1 0.842 0.076 . . . 80 E N . 80 E H 26506 1 71 . 1 1 81 81 ASP N N 15 . 1 1 81 81 ASP H H 1 0.756 0.043 . . . 81 D N . 81 D H 26506 1 72 . 1 1 83 83 THR N N 15 . 1 1 83 83 THR H H 1 0.679 0.103 . . . 83 T N . 83 T H 26506 1 73 . 1 1 96 96 LEU N N 15 . 1 1 96 96 LEU H H 1 0.909 0.032 . . . 96 L N . 96 L H 26506 1 74 . 1 1 97 97 GLN N N 15 . 1 1 97 97 GLN H H 1 0.885 0.022 . . . 97 Q N . 97 Q H 26506 1 75 . 1 1 98 98 HIS N N 15 . 1 1 98 98 HIS H H 1 0.802 0.031 . . . 98 H N . 98 H H 26506 1 76 . 1 1 99 99 TYR N N 15 . 1 1 99 99 TYR H H 1 0.931 0.03 . . . 99 Y N . 99 Y H 26506 1 77 . 1 1 100 100 LYS N N 15 . 1 1 100 100 LYS H H 1 0.871 0.023 . . . 100 K N . 100 K H 26506 1 78 . 1 1 101 101 VAL N N 15 . 1 1 101 101 VAL H H 1 0.906 0.02 . . . 101 V N . 101 V H 26506 1 79 . 1 1 103 103 ASP N N 15 . 1 1 103 103 ASP H H 1 0.947 0.017 . . . 103 D N . 103 D H 26506 1 80 . 1 1 104 104 GLY N N 15 . 1 1 104 104 GLY H H 1 0.854 0.024 . . . 104 G N . 104 G H 26506 1 81 . 1 1 105 105 ALA N N 15 . 1 1 105 105 ALA H H 1 0.935 0.019 . . . 105 A N . 105 A H 26506 1 82 . 1 1 106 106 THR N N 15 . 1 1 106 106 THR H H 1 0.828 0.02 . . . 106 T N . 106 T H 26506 1 83 . 1 1 107 107 VAL N N 15 . 1 1 107 107 VAL H H 1 0.856 0.025 . . . 107 V N . 107 V H 26506 1 84 . 1 1 108 108 ALA N N 15 . 1 1 108 108 ALA H H 1 0.918 0.023 . . . 108 A N . 108 A H 26506 1 85 . 1 1 109 109 LEU N N 15 . 1 1 109 109 LEU H H 1 0.886 0.022 . . . 109 L N . 109 L H 26506 1 86 . 1 1 110 110 VAL N N 15 . 1 1 110 110 VAL H H 1 0.912 0.027 . . . 110 V N . 110 V H 26506 1 87 . 1 1 112 112 CYS N N 15 . 1 1 112 112 CYS H H 1 0.813 0.018 . . . 112 C N . 112 C H 26506 1 88 . 1 1 113 113 LEU N N 15 . 1 1 113 113 LEU H H 1 0.535 0.03 . . . 113 L N . 113 L H 26506 1 89 . 1 1 114 114 THR N N 15 . 1 1 114 114 THR H H 1 0.426 0.032 . . . 114 T N . 114 T H 26506 1 90 . 1 1 115 115 LYS N N 15 . 1 1 115 115 LYS H H 1 0.293 0.057 . . . 115 K N . 115 K H 26506 1 91 . 1 1 116 116 HIS N N 15 . 1 1 116 116 HIS H H 1 0.1 0.388 . . . 116 H N . 116 H H 26506 1 92 . 1 1 117 117 VAL N N 15 . 1 1 117 117 VAL H H 1 0.177 0.068 . . . 117 V N . 117 V H 26506 1 93 . 1 1 118 118 LEU N N 15 . 1 1 118 118 LEU H H 1 -0.021 0.433 . . . 118 L N . 118 L H 26506 1 94 . 1 1 119 119 ARG N N 15 . 1 1 119 119 ARG H H 1 -0.196 0.051 . . . 119 R N . 119 R H 26506 1 95 . 1 1 120 120 GLU N N 15 . 1 1 120 120 GLU H H 1 -0.375 0.027 . . . 120 E N . 120 E H 26506 1 96 . 1 1 121 121 ASN N N 15 . 1 1 121 121 ASN H H 1 -0.82 0.022 . . . 121 N N . 121 N H 26506 1 97 . 1 1 122 122 LYS N N 15 . 1 1 122 122 LYS H H 1 -1.707 0.01 . . . 122 K N . 122 K H 26506 1 stop_ save_ save_heteronuclear_noe_list_2 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_2 _Heteronucl_NOE_list.Entry_ID 26506 _Heteronucl_NOE_list.ID 2 _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 'peak height' _Heteronucl_NOE_list.NOE_ref_val 1 _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 '15N-{1H} NOE' . . . 26506 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 2 2 LYS N N 15 . 1 1 2 2 LYS H H 1 -0.275 0.056 . . . 2 K N . 2 K H 26506 2 2 . 1 1 3 3 ASP N N 15 . 1 1 3 3 ASP H H 1 0.345 0.028 . . . 3 D N . 3 D H 26506 2 3 . 1 1 4 4 VAL N N 15 . 1 1 4 4 VAL H H 1 0.242 0.037 . . . 4 V N . 4 V H 26506 2 4 . 1 1 5 5 GLU N N 15 . 1 1 5 5 GLU H H 1 0.31 0.023 . . . 5 E N . 5 E H 26506 2 5 . 1 1 6 6 TYR N N 15 . 1 1 6 6 TYR H H 1 0.5 0.026 . . . 6 Y N . 6 Y H 26506 2 6 . 1 1 7 7 ARG N N 15 . 1 1 7 7 ARG H H 1 0.757 0.019 . . . 7 R N . 7 R H 26506 2 7 . 1 1 9 9 LEU N N 15 . 1 1 9 9 LEU H H 1 0.887 0.017 . . . 9 L N . 9 L H 26506 2 8 . 1 1 10 10 THR N N 15 . 1 1 10 10 THR H H 1 0.918 0.017 . . . 10 T N . 10 T H 26506 2 9 . 1 1 11 11 LEU N N 15 . 1 1 11 11 LEU H H 1 0.956 0.02 . . . 11 L N . 11 L H 26506 2 10 . 1 1 12 12 ASN N N 15 . 1 1 12 12 ASN H H 1 1.008 0.02 . . . 12 N N . 12 N H 26506 2 11 . 1 1 13 13 ALA N N 15 . 1 1 13 13 ALA H H 1 0.992 0.022 . . . 13 A N . 13 A H 26506 2 12 . 1 1 14 14 LEU N N 15 . 1 1 14 14 LEU H H 1 0.935 0.02 . . . 14 L N . 14 L H 26506 2 13 . 1 1 15 15 LEU N N 15 . 1 1 15 15 LEU H H 1 0.84 0.021 . . . 15 L N . 15 L H 26506 2 14 . 1 1 16 16 ALA N N 15 . 1 1 16 16 ALA H H 1 0.809 0.02 . . . 16 A N . 16 A H 26506 2 15 . 1 1 17 17 VAL N N 15 . 1 1 17 17 VAL H H 1 0.712 0.018 . . . 17 V N . 17 V H 26506 2 16 . 1 1 18 18 GLY N N 15 . 1 1 18 18 GLY H H 1 0.629 0.017 . . . 18 G N . 18 G H 26506 2 17 . 1 1 20 20 GLY N N 15 . 1 1 20 20 GLY H H 1 0.403 0.066 . . . 20 G N . 20 G H 26506 2 18 . 1 1 21 21 ALA N N 15 . 1 1 21 21 ALA H H 1 0.5 0.023 . . . 21 A N . 21 A H 26506 2 19 . 1 1 22 22 GLY N N 15 . 1 1 22 22 GLY H H 1 0.401 0.033 . . . 22 G N . 22 G H 26506 2 20 . 1 1 23 23 GLU N N 15 . 1 1 23 23 GLU H H 1 0.463 0.025 . . . 23 E N . 23 E H 26506 2 21 . 1 1 24 24 ALA N N 15 . 1 1 24 24 ALA H H 1 0.401 0.026 . . . 24 A N . 24 A H 26506 2 22 . 1 1 25 25 GLN N N 15 . 1 1 25 25 GLN H H 1 0.457 0.021 . . . 25 Q N . 25 Q H 26506 2 23 . 1 1 26 26 GLY N N 15 . 1 1 26 26 GLY H H 1 0.578 0.016 . . . 26 G N . 26 G H 26506 2 24 . 1 1 27 27 VAL N N 15 . 1 1 27 27 VAL H H 1 0.985 0.024 . . . 27 V N . 27 V H 26506 2 25 . 1 1 29 29 VAL N N 15 . 1 1 29 29 VAL H H 1 0.946 0.016 . . . 29 V N . 29 V H 26506 2 26 . 1 1 30 30 LYS N N 15 . 1 1 30 30 LYS H H 1 0.91 0.019 . . . 30 K N . 30 K H 26506 2 27 . 1 1 31 31 VAL N N 15 . 1 1 31 31 VAL H H 1 0.985 0.02 . . . 31 V N . 31 V H 26506 2 28 . 1 1 32 32 LEU N N 15 . 1 1 32 32 LEU H H 1 0.924 0.019 . . . 32 L N . 32 L H 26506 2 29 . 1 1 33 33 ASP N N 15 . 1 1 33 33 ASP H H 1 0.929 0.022 . . . 33 D N . 33 D H 26506 2 30 . 1 1 34 34 CYS N N 15 . 1 1 34 34 CYS H H 1 0.893 0.02 . . . 34 C N . 34 C H 26506 2 31 . 1 1 36 36 THR N N 15 . 1 1 36 36 THR H H 1 0.896 0.029 . . . 36 T N . 36 T H 26506 2 32 . 1 1 37 37 ILE N N 15 . 1 1 37 37 ILE H H 1 0.901 0.094 . . . 37 I N . 37 I H 26506 2 33 . 1 1 39 39 GLN N N 15 . 1 1 39 39 GLN H H 1 0.906 0.022 . . . 39 Q N . 39 Q H 26506 2 34 . 1 1 40 40 ALA N N 15 . 1 1 40 40 ALA H H 1 0.978 0.024 . . . 40 A N . 40 A H 26506 2 35 . 1 1 41 41 LYS N N 15 . 1 1 41 41 LYS H H 1 0.941 0.024 . . . 41 K N . 41 K H 26506 2 36 . 1 1 42 42 GLU N N 15 . 1 1 42 42 GLU H H 1 0.967 0.019 . . . 42 E N . 42 E H 26506 2 37 . 1 1 43 43 LYS N N 15 . 1 1 43 43 LYS H H 1 0.998 0.022 . . . 43 K N . 43 K H 26506 2 38 . 1 1 44 44 MET N N 15 . 1 1 44 44 MET H H 1 0.991 0.02 . . . 44 M N . 44 M H 26506 2 39 . 1 1 45 45 LEU N N 15 . 1 1 45 45 LEU H H 1 0.941 0.021 . . . 45 L N . 45 L H 26506 2 40 . 1 1 46 46 ASP N N 15 . 1 1 46 46 ASP H H 1 0.894 0.026 . . . 46 D N . 46 D H 26506 2 41 . 1 1 47 47 GLN N N 15 . 1 1 47 47 GLN H H 1 0.945 0.018 . . . 47 Q N . 47 Q H 26506 2 42 . 1 1 48 48 LEU N N 15 . 1 1 48 48 LEU H H 1 0.95 0.023 . . . 48 L N . 48 L H 26506 2 43 . 1 1 49 49 TYR N N 15 . 1 1 49 49 TYR H H 1 0.919 0.02 . . . 49 Y N . 49 Y H 26506 2 44 . 1 1 50 50 LYS N N 15 . 1 1 50 50 LYS H H 1 0.861 0.017 . . . 50 K N . 50 K H 26506 2 45 . 1 1 51 51 GLY N N 15 . 1 1 51 51 GLY H H 1 0.706 0.042 . . . 51 G N . 51 G H 26506 2 46 . 1 1 52 52 VAL N N 15 . 1 1 52 52 VAL H H 1 0.74 0.021 . . . 52 V N . 52 V H 26506 2 47 . 1 1 54 54 LEU N N 15 . 1 1 54 54 LEU H H 1 0.695 0.024 . . . 54 L N . 54 L H 26506 2 48 . 1 1 55 55 THR N N 15 . 1 1 55 55 THR H H 1 0.722 0.035 . . . 55 T N . 55 T H 26506 2 49 . 1 1 56 56 GLN N N 15 . 1 1 56 56 GLN H H 1 0.729 0.019 . . . 56 Q N . 56 Q H 26506 2 50 . 1 1 57 57 ARG N N 15 . 1 1 57 57 ARG H H 1 0.697 0.022 . . . 57 R N . 57 R H 26506 2 51 . 1 1 61 61 ARG N N 15 . 1 1 61 61 ARG H H 1 0.849 0.022 . . . 61 R N . 61 R H 26506 2 52 . 1 1 62 62 THR N N 15 . 1 1 62 62 THR H H 1 0.874 0.031 . . . 62 T N . 62 T H 26506 2 53 . 1 1 63 63 LEU N N 15 . 1 1 63 63 LEU H H 1 0.955 0.02 . . . 63 L N . 63 L H 26506 2 54 . 1 1 64 64 ASP N N 15 . 1 1 64 64 ASP H H 1 0.916 0.021 . . . 64 D N . 64 D H 26506 2 55 . 1 1 65 65 VAL N N 15 . 1 1 65 65 VAL H H 1 0.956 0.036 . . . 65 V N . 65 V H 26506 2 56 . 1 1 66 66 GLU N N 15 . 1 1 66 66 GLU H H 1 0.955 0.023 . . . 66 E N . 66 E H 26506 2 57 . 1 1 67 67 TRP N N 15 . 1 1 67 67 TRP H H 1 0.999 0.022 . . . 67 W N . 67 W H 26506 2 58 . 1 1 68 68 ARG N N 15 . 1 1 68 68 ARG H H 1 0.918 0.018 . . . 68 R N . 68 R H 26506 2 59 . 1 1 69 69 SER N N 15 . 1 1 69 69 SER H H 1 0.765 0.02 . . . 69 S N . 69 S H 26506 2 60 . 1 1 70 70 GLY N N 15 . 1 1 70 70 GLY H H 1 0.661 0.099 . . . 70 G N . 70 G H 26506 2 61 . 1 1 71 71 VAL N N 15 . 1 1 71 71 VAL H H 1 0.463 0.039 . . . 71 V N . 71 V H 26506 2 62 . 1 1 72 72 ALA N N 15 . 1 1 72 72 ALA H H 1 0.536 0.033 . . . 72 A N . 72 A H 26506 2 63 . 1 1 73 73 GLY N N 15 . 1 1 73 73 GLY H H 1 0.691 0.022 . . . 73 G N . 73 G H 26506 2 64 . 1 1 74 74 HIS N N 15 . 1 1 74 74 HIS H H 1 0.693 0.023 . . . 74 H N . 74 H H 26506 2 65 . 1 1 75 75 LEU N N 15 . 1 1 75 75 LEU H H 1 0.873 0.016 . . . 75 L N . 75 L H 26506 2 66 . 1 1 76 76 ILE N N 15 . 1 1 76 76 ILE H H 1 0.882 0.018 . . . 76 I N . 76 I H 26506 2 67 . 1 1 77 77 LEU N N 15 . 1 1 77 77 LEU H H 1 1.004 0.025 . . . 77 L N . 77 L H 26506 2 68 . 1 1 78 78 SER N N 15 . 1 1 78 78 SER H H 1 0.898 0.02 . . . 78 S N . 78 S H 26506 2 69 . 1 1 79 79 ASP N N 15 . 1 1 79 79 ASP H H 1 0.892 0.028 . . . 79 D N . 79 D H 26506 2 70 . 1 1 80 80 GLU N N 15 . 1 1 80 80 GLU H H 1 0.886 0.095 . . . 80 E N . 80 E H 26506 2 71 . 1 1 81 81 ASP N N 15 . 1 1 81 81 ASP H H 1 0.795 0.048 . . . 81 D N . 81 D H 26506 2 72 . 1 1 83 83 THR N N 15 . 1 1 83 83 THR H H 1 0.764 0.103 . . . 83 T N . 83 T H 26506 2 73 . 1 1 96 96 LEU N N 15 . 1 1 96 96 LEU H H 1 0.899 0.032 . . . 96 L N . 96 L H 26506 2 74 . 1 1 97 97 GLN N N 15 . 1 1 97 97 GLN H H 1 0.916 0.022 . . . 97 Q N . 97 Q H 26506 2 75 . 1 1 98 98 HIS N N 15 . 1 1 98 98 HIS H H 1 0.844 0.031 . . . 98 H N . 98 H H 26506 2 76 . 1 1 99 99 TYR N N 15 . 1 1 99 99 TYR H H 1 0.891 0.026 . . . 99 Y N . 99 Y H 26506 2 77 . 1 1 100 100 LYS N N 15 . 1 1 100 100 LYS H H 1 0.929 0.019 . . . 100 K N . 100 K H 26506 2 78 . 1 1 101 101 VAL N N 15 . 1 1 101 101 VAL H H 1 0.985 0.019 . . . 101 V N . 101 V H 26506 2 79 . 1 1 103 103 ASP N N 15 . 1 1 103 103 ASP H H 1 0.884 0.015 . . . 103 D N . 103 D H 26506 2 80 . 1 1 104 104 GLY N N 15 . 1 1 104 104 GLY H H 1 0.968 0.021 . . . 104 G N . 104 G H 26506 2 81 . 1 1 105 105 ALA N N 15 . 1 1 105 105 ALA H H 1 0.993 0.016 . . . 105 A N . 105 A H 26506 2 82 . 1 1 106 106 THR N N 15 . 1 1 106 106 THR H H 1 0.863 0.017 . . . 106 T N . 106 T H 26506 2 83 . 1 1 107 107 VAL N N 15 . 1 1 107 107 VAL H H 1 0.967 0.023 . . . 107 V N . 107 V H 26506 2 84 . 1 1 108 108 ALA N N 15 . 1 1 108 108 ALA H H 1 0.959 0.021 . . . 108 A N . 108 A H 26506 2 85 . 1 1 109 109 LEU N N 15 . 1 1 109 109 LEU H H 1 0.958 0.018 . . . 109 L N . 109 L H 26506 2 86 . 1 1 110 110 VAL N N 15 . 1 1 110 110 VAL H H 1 0.953 0.021 . . . 110 V N . 110 V H 26506 2 87 . 1 1 112 112 CYS N N 15 . 1 1 112 112 CYS H H 1 0.834 0.015 . . . 112 C N . 112 C H 26506 2 88 . 1 1 113 113 LEU N N 15 . 1 1 113 113 LEU H H 1 0.665 0.028 . . . 113 L N . 113 L H 26506 2 89 . 1 1 114 114 THR N N 15 . 1 1 114 114 THR H H 1 0.619 0.02 . . . 114 T N . 114 T H 26506 2 90 . 1 1 115 115 LYS N N 15 . 1 1 115 115 LYS H H 1 0.481 0.036 . . . 115 K N . 115 K H 26506 2 91 . 1 1 116 116 HIS N N 15 . 1 1 116 116 HIS H H 1 0.524 0.065 . . . 116 H N . 116 H H 26506 2 92 . 1 1 117 117 VAL N N 15 . 1 1 117 117 VAL H H 1 0.425 0.025 . . . 117 V N . 117 V H 26506 2 93 . 1 1 118 118 LEU N N 15 . 1 1 118 118 LEU H H 1 0.413 0.018 . . . 118 L N . 118 L H 26506 2 94 . 1 1 119 119 ARG N N 15 . 1 1 119 119 ARG H H 1 0.286 0.026 . . . 119 R N . 119 R H 26506 2 95 . 1 1 120 120 GLU N N 15 . 1 1 120 120 GLU H H 1 0.119 0.062 . . . 120 E N . 120 E H 26506 2 96 . 1 1 121 121 ASN N N 15 . 1 1 121 121 ASN H H 1 -0.182 0.048 . . . 121 N N . 121 N H 26506 2 97 . 1 1 122 122 LYS N N 15 . 1 1 122 122 LYS H H 1 -1.034 0.01 . . . 122 K N . 122 K H 26506 2 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 26506 _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 'Collected data represents R1 values' _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' . . . 26506 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 2 2 LYS N N 15 0.911 0.056 . . 2 K N 26506 1 2 . 1 1 3 3 ASP N N 15 1.226 0.054 . . 3 D N 26506 1 3 . 1 1 4 4 VAL N N 15 1.394 0.039 . . 4 V N 26506 1 4 . 1 1 5 5 GLU N N 15 1.601 0.039 . . 5 E N 26506 1 5 . 1 1 6 6 TYR N N 15 1.441 0.029 . . 6 Y N 26506 1 6 . 1 1 7 7 ARG N N 15 1.639 0.045 . . 7 R N 26506 1 7 . 1 1 9 9 LEU N N 15 1.581 0.041 . . 9 L N 26506 1 8 . 1 1 10 10 THR N N 15 1.515 0.053 . . 10 T N 26506 1 9 . 1 1 11 11 LEU N N 15 1.667 0.057 . . 11 L N 26506 1 10 . 1 1 12 12 ASN N N 15 1.613 0.05 . . 12 N N 26506 1 11 . 1 1 13 13 ALA N N 15 1.631 0.055 . . 13 A N 26506 1 12 . 1 1 14 14 LEU N N 15 1.534 0.037 . . 14 L N 26506 1 13 . 1 1 15 15 LEU N N 15 1.42 0.039 . . 15 L N 26506 1 14 . 1 1 16 16 ALA N N 15 1.562 0.053 . . 16 A N 26506 1 15 . 1 1 17 17 VAL N N 15 1.575 0.043 . . 17 V N 26506 1 16 . 1 1 18 18 GLY N N 15 1.804 0.045 . . 18 G N 26506 1 17 . 1 1 20 20 GLY N N 15 1.501 0.029 . . 20 G N 26506 1 18 . 1 1 21 21 ALA N N 15 1.552 0.042 . . 21 A N 26506 1 19 . 1 1 22 22 GLY N N 15 1.462 0.033 . . 22 G N 26506 1 20 . 1 1 23 23 GLU N N 15 1.572 0.031 . . 23 E N 26506 1 21 . 1 1 24 24 ALA N N 15 1.45 0.033 . . 24 A N 26506 1 22 . 1 1 25 25 GLN N N 15 1.407 0.029 . . 25 Q N 26506 1 23 . 1 1 26 26 GLY N N 15 1.586 0.034 . . 26 G N 26506 1 24 . 1 1 27 27 VAL N N 15 1.564 0.045 . . 27 V N 26506 1 25 . 1 1 29 29 VAL N N 15 1.56 0.047 . . 29 V N 26506 1 26 . 1 1 30 30 LYS N N 15 1.459 0.049 . . 30 K N 26506 1 27 . 1 1 31 31 VAL N N 15 1.607 0.044 . . 31 V N 26506 1 28 . 1 1 32 32 LEU N N 15 1.542 0.051 . . 32 L N 26506 1 29 . 1 1 33 33 ASP N N 15 1.549 0.04 . . 33 D N 26506 1 30 . 1 1 34 34 CYS N N 15 1.595 0.044 . . 34 C N 26506 1 31 . 1 1 36 36 THR N N 15 1.692 0.052 . . 36 T N 26506 1 32 . 1 1 37 37 ILE N N 15 1.842 0.039 . . 37 I N 26506 1 33 . 1 1 39 39 GLN N N 15 1.645 0.05 . . 39 Q N 26506 1 34 . 1 1 40 40 ALA N N 15 1.664 0.055 . . 40 A N 26506 1 35 . 1 1 41 41 LYS N N 15 1.579 0.039 . . 41 K N 26506 1 36 . 1 1 42 42 GLU N N 15 1.564 0.053 . . 42 E N 26506 1 37 . 1 1 43 43 LYS N N 15 1.724 0.061 . . 43 K N 26506 1 38 . 1 1 44 44 MET N N 15 1.613 0.05 . . 44 M N 26506 1 39 . 1 1 45 45 LEU N N 15 1.599 0.05 . . 45 L N 26506 1 40 . 1 1 46 46 ASP N N 15 1.622 0.046 . . 46 D N 26506 1 41 . 1 1 47 47 GLN N N 15 1.594 0.041 . . 47 Q N 26506 1 42 . 1 1 48 48 LEU N N 15 1.546 0.05 . . 48 L N 26506 1 43 . 1 1 49 49 TYR N N 15 1.517 0.052 . . 49 Y N 26506 1 44 . 1 1 50 50 LYS N N 15 1.53 0.039 . . 50 K N 26506 1 45 . 1 1 51 51 GLY N N 15 1.388 0.046 . . 51 G N 26506 1 46 . 1 1 52 52 VAL N N 15 1.526 0.035 . . 52 V N 26506 1 47 . 1 1 54 54 LEU N N 15 1.507 0.032 . . 54 L N 26506 1 48 . 1 1 55 55 THR N N 15 1.6 0.046 . . 55 T N 26506 1 49 . 1 1 56 56 GLN N N 15 1.453 0.037 . . 56 Q N 26506 1 50 . 1 1 57 57 ARG N N 15 1.322 0.024 . . 57 R N 26506 1 51 . 1 1 61 61 ARG N N 15 1.641 0.04 . . 61 R N 26506 1 52 . 1 1 62 62 THR N N 15 1.644 0.049 . . 62 T N 26506 1 53 . 1 1 63 63 LEU N N 15 1.654 0.043 . . 63 L N 26506 1 54 . 1 1 64 64 ASP N N 15 1.555 0.041 . . 64 D N 26506 1 55 . 1 1 65 65 VAL N N 15 1.47 0.048 . . 65 V N 26506 1 56 . 1 1 66 66 GLU N N 15 1.753 0.06 . . 66 E N 26506 1 57 . 1 1 67 67 TRP N N 15 1.564 0.043 . . 67 W N 26506 1 58 . 1 1 68 68 ARG N N 15 1.605 0.042 . . 68 R N 26506 1 59 . 1 1 69 69 SER N N 15 1.536 0.035 . . 69 S N 26506 1 60 . 1 1 70 70 GLY N N 15 1.939 0.075 . . 70 G N 26506 1 61 . 1 1 71 71 VAL N N 15 1.477 0.03 . . 71 V N 26506 1 62 . 1 1 72 72 ALA N N 15 1.569 0.041 . . 72 A N 26506 1 63 . 1 1 73 73 GLY N N 15 1.619 0.04 . . 73 G N 26506 1 64 . 1 1 74 74 HIS N N 15 1.584 0.036 . . 74 H N 26506 1 65 . 1 1 75 75 LEU N N 15 1.417 0.043 . . 75 L N 26506 1 66 . 1 1 76 76 ILE N N 15 1.456 0.045 . . 76 I N 26506 1 67 . 1 1 77 77 LEU N N 15 1.627 0.048 . . 77 L N 26506 1 68 . 1 1 78 78 SER N N 15 1.532 0.049 . . 78 S N 26506 1 69 . 1 1 79 79 ASP N N 15 1.586 0.047 . . 79 D N 26506 1 70 . 1 1 80 80 GLU N N 15 1.622 0.057 . . 80 E N 26506 1 71 . 1 1 81 81 ASP N N 15 1.623 0.043 . . 81 D N 26506 1 72 . 1 1 83 83 THR N N 15 1.814 0.054 . . 83 T N 26506 1 73 . 1 1 96 96 LEU N N 15 1.791 0.055 . . 96 L N 26506 1 74 . 1 1 97 97 GLN N N 15 1.723 0.049 . . 97 Q N 26506 1 75 . 1 1 98 98 HIS N N 15 1.73 0.047 . . 98 H N 26506 1 76 . 1 1 99 99 TYR N N 15 1.688 0.045 . . 99 Y N 26506 1 77 . 1 1 100 100 LYS N N 15 1.687 0.038 . . 100 K N 26506 1 78 . 1 1 101 101 VAL N N 15 1.639 0.045 . . 101 V N 26506 1 79 . 1 1 103 103 ASP N N 15 1.33 0.041 . . 103 D N 26506 1 80 . 1 1 104 104 GLY N N 15 1.624 0.047 . . 104 G N 26506 1 81 . 1 1 105 105 ALA N N 15 1.57 0.048 . . 105 A N 26506 1 82 . 1 1 106 106 THR N N 15 1.537 0.055 . . 106 T N 26506 1 83 . 1 1 107 107 VAL N N 15 1.613 0.053 . . 107 V N 26506 1 84 . 1 1 108 108 ALA N N 15 1.717 0.053 . . 108 A N 26506 1 85 . 1 1 109 109 LEU N N 15 1.491 0.035 . . 109 L N 26506 1 86 . 1 1 110 110 VAL N N 15 1.615 0.043 . . 110 V N 26506 1 87 . 1 1 112 112 CYS N N 15 1.581 0.037 . . 112 C N 26506 1 88 . 1 1 113 113 LEU N N 15 1.816 0.039 . . 113 L N 26506 1 89 . 1 1 114 114 THR N N 15 1.706 0.036 . . 114 T N 26506 1 90 . 1 1 115 115 LYS N N 15 1.793 0.039 . . 115 K N 26506 1 91 . 1 1 116 116 HIS N N 15 1.55 0.038 . . 116 H N 26506 1 92 . 1 1 117 117 VAL N N 15 1.678 0.039 . . 117 V N 26506 1 93 . 1 1 118 118 LEU N N 15 1.584 0.048 . . 118 L N 26506 1 94 . 1 1 119 119 ARG N N 15 1.423 0.053 . . 119 R N 26506 1 95 . 1 1 120 120 GLU N N 15 1.272 0.056 . . 120 E N 26506 1 96 . 1 1 121 121 ASN N N 15 1.065 0.06 . . 121 N N 26506 1 97 . 1 1 122 122 LYS N N 15 0.674 0.026 . . 122 K N 26506 1 stop_ save_ save_heteronuclear_T1_list_2 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_2 _Heteronucl_T1_list.Entry_ID 26506 _Heteronucl_T1_list.ID 2 _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-1 _Heteronucl_T1_list.Details 'Collected data represents R1 values' _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 3 '2D 1H-15N HSQC' . . . 26506 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 2 2 LYS N N 15 1.25 0.135 . . 2 K N 26506 2 2 . 1 1 3 3 ASP N N 15 1.442 0.106 . . 3 D N 26506 2 3 . 1 1 4 4 VAL N N 15 1.519 0.112 . . 4 V N 26506 2 4 . 1 1 5 5 GLU N N 15 1.626 0.109 . . 5 E N 26506 2 5 . 1 1 6 6 TYR N N 15 1.428 0.096 . . 6 Y N 26506 2 6 . 1 1 7 7 ARG N N 15 1.362 0.063 . . 7 R N 26506 2 7 . 1 1 9 9 LEU N N 15 1.242 0.074 . . 9 L N 26506 2 8 . 1 1 10 10 THR N N 15 1.184 0.097 . . 10 T N 26506 2 9 . 1 1 11 11 LEU N N 15 1.335 0.072 . . 11 L N 26506 2 10 . 1 1 12 12 ASN N N 15 1.23 0.091 . . 12 N N 26506 2 11 . 1 1 13 13 ALA N N 15 1.313 0.081 . . 13 A N 26506 2 12 . 1 1 14 14 LEU N N 15 1.24 0.055 . . 14 L N 26506 2 13 . 1 1 15 15 LEU N N 15 1.095 0.047 . . 15 L N 26506 2 14 . 1 1 16 16 ALA N N 15 1.321 0.055 . . 16 A N 26506 2 15 . 1 1 17 17 VAL N N 15 1.441 0.097 . . 17 V N 26506 2 16 . 1 1 18 18 GLY N N 15 1.739 0.107 . . 18 G N 26506 2 17 . 1 1 20 20 GLY N N 15 1.464 0.104 . . 20 G N 26506 2 18 . 1 1 21 21 ALA N N 15 1.5 0.072 . . 21 A N 26506 2 19 . 1 1 22 22 GLY N N 15 1.453 0.122 . . 22 G N 26506 2 20 . 1 1 23 23 GLU N N 15 1.48 0.073 . . 23 E N 26506 2 21 . 1 1 24 24 ALA N N 15 1.459 0.1 . . 24 A N 26506 2 22 . 1 1 25 25 GLN N N 15 1.271 0.049 . . 25 Q N 26506 2 23 . 1 1 26 26 GLY N N 15 1.348 0.065 . . 26 G N 26506 2 24 . 1 1 27 27 VAL N N 15 1.332 0.085 . . 27 V N 26506 2 25 . 1 1 29 29 VAL N N 15 1.295 0.092 . . 29 V N 26506 2 26 . 1 1 30 30 LYS N N 15 1.121 0.061 . . 30 K N 26506 2 27 . 1 1 31 31 VAL N N 15 1.267 0.065 . . 31 V N 26506 2 28 . 1 1 32 32 LEU N N 15 1.25 0.054 . . 32 L N 26506 2 29 . 1 1 33 33 ASP N N 15 1.279 0.079 . . 33 D N 26506 2 30 . 1 1 34 34 CYS N N 15 1.262 0.063 . . 34 C N 26506 2 31 . 1 1 36 36 THR N N 15 1.359 0.084 . . 36 T N 26506 2 32 . 1 1 37 37 ILE N N 15 1.47 0.089 . . 37 I N 26506 2 33 . 1 1 39 39 GLN N N 15 1.29 0.053 . . 39 Q N 26506 2 34 . 1 1 40 40 ALA N N 15 1.333 0.056 . . 40 A N 26506 2 35 . 1 1 41 41 LYS N N 15 1.249 0.054 . . 41 K N 26506 2 36 . 1 1 42 42 GLU N N 15 1.302 0.083 . . 42 E N 26506 2 37 . 1 1 43 43 LYS N N 15 1.3 0.064 . . 43 K N 26506 2 38 . 1 1 44 44 MET N N 15 1.346 0.079 . . 44 M N 26506 2 39 . 1 1 45 45 LEU N N 15 1.287 0.061 . . 45 L N 26506 2 40 . 1 1 46 46 ASP N N 15 1.301 0.048 . . 46 D N 26506 2 41 . 1 1 47 47 GLN N N 15 1.246 0.078 . . 47 Q N 26506 2 42 . 1 1 48 48 LEU N N 15 1.318 0.091 . . 48 L N 26506 2 43 . 1 1 49 49 TYR N N 15 1.155 0.089 . . 49 Y N 26506 2 44 . 1 1 50 50 LYS N N 15 1.189 0.088 . . 50 K N 26506 2 45 . 1 1 51 51 GLY N N 15 1.185 0.104 . . 51 G N 26506 2 46 . 1 1 52 52 VAL N N 15 1.189 0.054 . . 52 V N 26506 2 47 . 1 1 54 54 LEU N N 15 1.164 0.067 . . 54 L N 26506 2 48 . 1 1 55 55 THR N N 15 1.24 0.073 . . 55 T N 26506 2 49 . 1 1 56 56 GLN N N 15 1.163 0.047 . . 56 Q N 26506 2 50 . 1 1 57 57 ARG N N 15 1.1 0.073 . . 57 R N 26506 2 51 . 1 1 61 61 ARG N N 15 1.325 0.05 . . 61 R N 26506 2 52 . 1 1 62 62 THR N N 15 1.316 0.068 . . 62 T N 26506 2 53 . 1 1 63 63 LEU N N 15 1.324 0.063 . . 63 L N 26506 2 54 . 1 1 64 64 ASP N N 15 1.237 0.075 . . 64 D N 26506 2 55 . 1 1 65 65 VAL N N 15 1.126 0.065 . . 65 V N 26506 2 56 . 1 1 66 66 GLU N N 15 1.423 0.078 . . 66 E N 26506 2 57 . 1 1 67 67 TRP N N 15 1.28 0.078 . . 67 W N 26506 2 58 . 1 1 68 68 ARG N N 15 1.295 0.068 . . 68 R N 26506 2 59 . 1 1 69 69 SER N N 15 1.172 0.043 . . 69 S N 26506 2 60 . 1 1 70 70 GLY N N 15 1.863 0.177 . . 70 G N 26506 2 61 . 1 1 71 71 VAL N N 15 1.345 0.071 . . 71 V N 26506 2 62 . 1 1 72 72 ALA N N 15 1.39 0.088 . . 72 A N 26506 2 63 . 1 1 73 73 GLY N N 15 1.428 0.083 . . 73 G N 26506 2 64 . 1 1 74 74 HIS N N 15 1.285 0.052 . . 74 H N 26506 2 65 . 1 1 75 75 LEU N N 15 1.166 0.067 . . 75 L N 26506 2 66 . 1 1 76 76 ILE N N 15 1.133 0.061 . . 76 I N 26506 2 67 . 1 1 77 77 LEU N N 15 1.323 0.068 . . 77 L N 26506 2 68 . 1 1 78 78 SER N N 15 1.204 0.082 . . 78 S N 26506 2 69 . 1 1 79 79 ASP N N 15 1.267 0.08 . . 79 D N 26506 2 70 . 1 1 80 80 GLU N N 15 1.353 0.073 . . 80 E N 26506 2 71 . 1 1 81 81 ASP N N 15 1.342 0.105 . . 81 D N 26506 2 72 . 1 1 83 83 THR N N 15 1.61 0.076 . . 83 T N 26506 2 73 . 1 1 96 96 LEU N N 15 1.389 0.041 . . 96 L N 26506 2 74 . 1 1 97 97 GLN N N 15 1.418 0.082 . . 97 Q N 26506 2 75 . 1 1 98 98 HIS N N 15 1.408 0.06 . . 98 H N 26506 2 76 . 1 1 99 99 TYR N N 15 1.336 0.064 . . 99 Y N 26506 2 77 . 1 1 100 100 LYS N N 15 1.343 0.071 . . 100 K N 26506 2 78 . 1 1 101 101 VAL N N 15 1.326 0.074 . . 101 V N 26506 2 79 . 1 1 103 103 ASP N N 15 1.051 0.063 . . 103 D N 26506 2 80 . 1 1 104 104 GLY N N 15 1.289 0.074 . . 104 G N 26506 2 81 . 1 1 105 105 ALA N N 15 1.277 0.066 . . 105 A N 26506 2 82 . 1 1 106 106 THR N N 15 1.141 0.053 . . 106 T N 26506 2 83 . 1 1 107 107 VAL N N 15 1.341 0.078 . . 107 V N 26506 2 84 . 1 1 108 108 ALA N N 15 1.381 0.075 . . 108 A N 26506 2 85 . 1 1 109 109 LEU N N 15 1.177 0.072 . . 109 L N 26506 2 86 . 1 1 110 110 VAL N N 15 1.282 0.082 . . 110 V N 26506 2 87 . 1 1 112 112 CYS N N 15 1.278 0.05 . . 112 C N 26506 2 88 . 1 1 113 113 LEU N N 15 1.76 0.127 . . 113 L N 26506 2 89 . 1 1 114 114 THR N N 15 1.571 0.12 . . 114 T N 26506 2 90 . 1 1 115 115 LYS N N 15 1.73 0.081 . . 115 K N 26506 2 91 . 1 1 116 116 HIS N N 15 1.588 0.086 . . 116 H N 26506 2 92 . 1 1 117 117 VAL N N 15 1.811 0.17 . . 117 V N 26506 2 93 . 1 1 118 118 LEU N N 15 1.828 0.144 . . 118 L N 26506 2 94 . 1 1 119 119 ARG N N 15 1.625 0.112 . . 119 R N 26506 2 95 . 1 1 120 120 GLU N N 15 1.507 0.117 . . 120 E N 26506 2 96 . 1 1 121 121 ASN N N 15 1.338 0.157 . . 121 N N 26506 2 97 . 1 1 122 122 LYS N N 15 0.917 0.079 . . 122 K N 26506 2 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 26506 _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 'Collected data represents R2 values' _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' . . . 26506 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 2 2 LYS N N 15 3.095 0.079 . . . . 2 K N 26506 1 2 . 1 1 3 3 ASP N N 15 3.772 0.051 . . . . 3 D N 26506 1 3 . 1 1 4 4 VAL N N 15 4.525 0.159 . . . . 4 V N 26506 1 4 . 1 1 5 5 GLU N N 15 5.976 0.023 . . . . 5 E N 26506 1 5 . 1 1 6 6 TYR N N 15 11.81 0.077 . . . . 6 Y N 26506 1 6 . 1 1 7 7 ARG N N 15 15.95 0.171 . . . . 7 R N 26506 1 7 . 1 1 9 9 LEU N N 15 17.87 0.252 . . . . 9 L N 26506 1 8 . 1 1 10 10 THR N N 15 18.26 0.302 . . . . 10 T N 26506 1 9 . 1 1 11 11 LEU N N 15 16.85 0.167 . . . . 11 L N 26506 1 10 . 1 1 12 12 ASN N N 15 18.46 0.117 . . . . 12 N N 26506 1 11 . 1 1 13 13 ALA N N 15 18.44 0.246 . . . . 13 A N 26506 1 12 . 1 1 14 14 LEU N N 15 20.15 0.13 . . . . 14 L N 26506 1 13 . 1 1 15 15 LEU N N 15 18 0.067 . . . . 15 L N 26506 1 14 . 1 1 16 16 ALA N N 15 17.13 0.186 . . . . 16 A N 26506 1 15 . 1 1 17 17 VAL N N 15 11.53 0.144 . . . . 17 V N 26506 1 16 . 1 1 18 18 GLY N N 15 8.399 0.142 . . . . 18 G N 26506 1 17 . 1 1 20 20 GLY N N 15 7.205 0.147 . . . . 20 G N 26506 1 18 . 1 1 21 21 ALA N N 15 8.54 0.145 . . . . 21 A N 26506 1 19 . 1 1 22 22 GLY N N 15 7.17 0.054 . . . . 22 G N 26506 1 20 . 1 1 23 23 GLU N N 15 8.17 0.058 . . . . 23 E N 26506 1 21 . 1 1 24 24 ALA N N 15 7.718 0.11 . . . . 24 A N 26506 1 22 . 1 1 25 25 GLN N N 15 8.809 0.065 . . . . 25 Q N 26506 1 23 . 1 1 26 26 GLY N N 15 10.87 0.027 . . . . 26 G N 26506 1 24 . 1 1 27 27 VAL N N 15 19.55 0.224 . . . . 27 V N 26506 1 25 . 1 1 29 29 VAL N N 15 16.92 0.088 . . . . 29 V N 26506 1 26 . 1 1 30 30 LYS N N 15 17.61 0.304 . . . . 30 K N 26506 1 27 . 1 1 31 31 VAL N N 15 20.11 0.1 . . . . 31 V N 26506 1 28 . 1 1 32 32 LEU N N 15 20.42 0.111 . . . . 32 L N 26506 1 29 . 1 1 33 33 ASP N N 15 20.84 0.303 . . . . 33 D N 26506 1 30 . 1 1 34 34 CYS N N 15 19.55 0.167 . . . . 34 C N 26506 1 31 . 1 1 36 36 THR N N 15 16.85 1.586 . . . . 36 T N 26506 1 32 . 1 1 37 37 ILE N N 15 19.74 0.567 . . . . 37 I N 26506 1 33 . 1 1 39 39 GLN N N 15 19.95 0.136 . . . . 39 Q N 26506 1 34 . 1 1 40 40 ALA N N 15 21.71 0.408 . . . . 40 A N 26506 1 35 . 1 1 41 41 LYS N N 15 21.21 0.161 . . . . 41 K N 26506 1 36 . 1 1 42 42 GLU N N 15 21.69 0.264 . . . . 42 E N 26506 1 37 . 1 1 43 43 LYS N N 15 22.29 0.226 . . . . 43 K N 26506 1 38 . 1 1 44 44 MET N N 15 21.41 0.307 . . . . 44 M N 26506 1 39 . 1 1 45 45 LEU N N 15 21.27 0.248 . . . . 45 L N 26506 1 40 . 1 1 46 46 ASP N N 15 21.04 0.315 . . . . 46 D N 26506 1 41 . 1 1 47 47 GLN N N 15 15.11 4.729 . . . . 47 Q N 26506 1 42 . 1 1 48 48 LEU N N 15 20.1 0.133 . . . . 48 L N 26506 1 43 . 1 1 49 49 TYR N N 15 18.55 0.372 . . . . 49 Y N 26506 1 44 . 1 1 50 50 LYS N N 15 17 0.302 . . . . 50 K N 26506 1 45 . 1 1 51 51 GLY N N 15 17.92 0.184 . . . . 51 G N 26506 1 46 . 1 1 52 52 VAL N N 15 17.4 0.448 . . . . 52 V N 26506 1 47 . 1 1 54 54 LEU N N 15 16.95 0.134 . . . . 54 L N 26506 1 48 . 1 1 55 55 THR N N 15 18.6 0.412 . . . . 55 T N 26506 1 49 . 1 1 56 56 GLN N N 15 18.65 0.128 . . . . 56 Q N 26506 1 50 . 1 1 57 57 ARG N N 15 15.58 0.09 . . . . 57 R N 26506 1 51 . 1 1 61 61 ARG N N 15 18.95 0.099 . . . . 61 R N 26506 1 52 . 1 1 62 62 THR N N 15 18.16 0.185 . . . . 62 T N 26506 1 53 . 1 1 63 63 LEU N N 15 19.94 0.084 . . . . 63 L N 26506 1 54 . 1 1 64 64 ASP N N 15 19.64 0.13 . . . . 64 D N 26506 1 55 . 1 1 65 65 VAL N N 15 20.1 0.235 . . . . 65 V N 26506 1 56 . 1 1 66 66 GLU N N 15 19.5 0.22 . . . . 66 E N 26506 1 57 . 1 1 67 67 TRP N N 15 19.72 0.205 . . . . 67 W N 26506 1 58 . 1 1 68 68 ARG N N 15 18.49 0.243 . . . . 68 R N 26506 1 59 . 1 1 69 69 SER N N 15 18.03 0.171 . . . . 69 S N 26506 1 60 . 1 1 70 70 GLY N N 15 11.43 0.43 . . . . 70 G N 26506 1 61 . 1 1 71 71 VAL N N 15 9.639 0.11 . . . . 71 V N 26506 1 62 . 1 1 72 72 ALA N N 15 12.88 0.303 . . . . 72 A N 26506 1 63 . 1 1 73 73 GLY N N 15 13.05 0.193 . . . . 73 G N 26506 1 64 . 1 1 74 74 HIS N N 15 15.66 0.13 . . . . 74 H N 26506 1 65 . 1 1 75 75 LEU N N 15 17.95 0.103 . . . . 75 L N 26506 1 66 . 1 1 76 76 ILE N N 15 17.1 0.123 . . . . 76 I N 26506 1 67 . 1 1 77 77 LEU N N 15 20.35 0.308 . . . . 77 L N 26506 1 68 . 1 1 78 78 SER N N 15 19.25 0.535 . . . . 78 S N 26506 1 69 . 1 1 79 79 ASP N N 15 19.21 0.135 . . . . 79 D N 26506 1 70 . 1 1 80 80 GLU N N 15 22.05 0.739 . . . . 80 E N 26506 1 71 . 1 1 81 81 ASP N N 15 18.86 0.161 . . . . 81 D N 26506 1 72 . 1 1 83 83 THR N N 15 23.44 0.547 . . . . 83 T N 26506 1 73 . 1 1 96 96 LEU N N 15 20.29 0.161 . . . . 96 L N 26506 1 74 . 1 1 97 97 GLN N N 15 20.26 0.204 . . . . 97 Q N 26506 1 75 . 1 1 98 98 HIS N N 15 19.57 0.222 . . . . 98 H N 26506 1 76 . 1 1 99 99 TYR N N 15 18.58 0.136 . . . . 99 Y N 26506 1 77 . 1 1 100 100 LYS N N 15 19.61 0.09 . . . . 100 K N 26506 1 78 . 1 1 101 101 VAL N N 15 20.32 0.208 . . . . 101 V N 26506 1 79 . 1 1 103 103 ASP N N 15 19.03 0.06 . . . . 103 D N 26506 1 80 . 1 1 104 104 GLY N N 15 18.19 0.047 . . . . 104 G N 26506 1 81 . 1 1 105 105 ALA N N 15 21.55 0.197 . . . . 105 A N 26506 1 82 . 1 1 106 106 THR N N 15 18.29 0.204 . . . . 106 T N 26506 1 83 . 1 1 107 107 VAL N N 15 19.34 0.225 . . . . 107 V N 26506 1 84 . 1 1 108 108 ALA N N 15 18.45 0.244 . . . . 108 A N 26506 1 85 . 1 1 109 109 LEU N N 15 19.66 0.231 . . . . 109 L N 26506 1 86 . 1 1 110 110 VAL N N 15 20.79 0.185 . . . . 110 V N 26506 1 87 . 1 1 112 112 CYS N N 15 16.46 0.257 . . . . 112 C N 26506 1 88 . 1 1 113 113 LEU N N 15 12.26 0.123 . . . . 113 L N 26506 1 89 . 1 1 114 114 THR N N 15 9.403 0.12 . . . . 114 T N 26506 1 90 . 1 1 115 115 LYS N N 15 7.697 0.046 . . . . 115 K N 26506 1 91 . 1 1 116 116 HIS N N 15 6.513 0.294 . . . . 116 H N 26506 1 92 . 1 1 117 117 VAL N N 15 6.023 0.08 . . . . 117 V N 26506 1 93 . 1 1 118 118 LEU N N 15 5.307 0.079 . . . . 118 L N 26506 1 94 . 1 1 119 119 ARG N N 15 4.456 0.069 . . . . 119 R N 26506 1 95 . 1 1 120 120 GLU N N 15 3.629 0.035 . . . . 120 E N 26506 1 96 . 1 1 121 121 ASN N N 15 2.955 0.102 . . . . 121 N N 26506 1 97 . 1 1 122 122 LYS N N 15 1.668 0.097 . . . . 122 K N 26506 1 stop_ save_ save_heteronuclear_T2_list_2 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_2 _Heteronucl_T2_list.Entry_ID 26506 _Heteronucl_T2_list.ID 2 _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 'Collected data represents R2 values' _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 HSQC' . . . 26506 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 2 2 LYS N N 15 3.686 0.155 . . . . 2 K N 26506 2 2 . 1 1 3 3 ASP N N 15 3.946 0.081 . . . . 3 D N 26506 2 3 . 1 1 4 4 VAL N N 15 5.477 0.05 . . . . 4 V N 26506 2 4 . 1 1 5 5 GLU N N 15 6.912 0.058 . . . . 5 E N 26506 2 5 . 1 1 6 6 TYR N N 15 15.24 0.097 . . . . 6 Y N 26506 2 6 . 1 1 7 7 ARG N N 15 17.94 0.531 . . . . 7 R N 26506 2 7 . 1 1 9 9 LEU N N 15 20.35 0.277 . . . . 9 L N 26506 2 8 . 1 1 10 10 THR N N 15 21.78 0.122 . . . . 10 T N 26506 2 9 . 1 1 11 11 LEU N N 15 18.94 0.188 . . . . 11 L N 26506 2 10 . 1 1 12 12 ASN N N 15 21.02 0.174 . . . . 12 N N 26506 2 11 . 1 1 13 13 ALA N N 15 21.4 0.231 . . . . 13 A N 26506 2 12 . 1 1 14 14 LEU N N 15 22.68 0.173 . . . . 14 L N 26506 2 13 . 1 1 15 15 LEU N N 15 20.05 0.137 . . . . 15 L N 26506 2 14 . 1 1 16 16 ALA N N 15 19.32 0.211 . . . . 16 A N 26506 2 15 . 1 1 17 17 VAL N N 15 13.4 0.094 . . . . 17 V N 26506 2 16 . 1 1 18 18 GLY N N 15 10.11 0.111 . . . . 18 G N 26506 2 17 . 1 1 20 20 GLY N N 15 9.288 0.178 . . . . 20 G N 26506 2 18 . 1 1 21 21 ALA N N 15 9.631 0.108 . . . . 21 A N 26506 2 19 . 1 1 22 22 GLY N N 15 9.127 0.449 . . . . 22 G N 26506 2 20 . 1 1 23 23 GLU N N 15 9.561 0.112 . . . . 23 E N 26506 2 21 . 1 1 24 24 ALA N N 15 9.151 0.135 . . . . 24 A N 26506 2 22 . 1 1 25 25 GLN N N 15 10.29 0.095 . . . . 25 Q N 26506 2 23 . 1 1 26 26 GLY N N 15 12.38 0.096 . . . . 26 G N 26506 2 24 . 1 1 27 27 VAL N N 15 23.1 0.263 . . . . 27 V N 26506 2 25 . 1 1 29 29 VAL N N 15 18.28 0.277 . . . . 29 V N 26506 2 26 . 1 1 30 30 LYS N N 15 20.6 0.451 . . . . 30 K N 26506 2 27 . 1 1 31 31 VAL N N 15 22.98 0.187 . . . . 31 V N 26506 2 28 . 1 1 32 32 LEU N N 15 22.83 0.311 . . . . 32 L N 26506 2 29 . 1 1 33 33 ASP N N 15 22.87 0.699 . . . . 33 D N 26506 2 30 . 1 1 34 34 CYS N N 15 23 0.358 . . . . 34 C N 26506 2 31 . 1 1 36 36 THR N N 15 20.54 0.803 . . . . 36 T N 26506 2 32 . 1 1 37 37 ILE N N 15 22.1 1.102 . . . . 37 I N 26506 2 33 . 1 1 39 39 GLN N N 15 22.92 0.239 . . . . 39 Q N 26506 2 34 . 1 1 40 40 ALA N N 15 23.07 0.308 . . . . 40 A N 26506 2 35 . 1 1 41 41 LYS N N 15 25.63 0.261 . . . . 41 K N 26506 2 36 . 1 1 42 42 GLU N N 15 25.66 0.357 . . . . 42 E N 26506 2 37 . 1 1 43 43 LYS N N 15 26.6 0.426 . . . . 43 K N 26506 2 38 . 1 1 44 44 MET N N 15 24.74 0.436 . . . . 44 M N 26506 2 39 . 1 1 45 45 LEU N N 15 25.08 0.413 . . . . 45 L N 26506 2 40 . 1 1 46 46 ASP N N 15 23.93 0.162 . . . . 46 D N 26506 2 41 . 1 1 47 47 GLN N N 15 16.59 6.662 . . . . 47 Q N 26506 2 42 . 1 1 48 48 LEU N N 15 24.51 0.752 . . . . 48 L N 26506 2 43 . 1 1 49 49 TYR N N 15 21.49 0.218 . . . . 49 Y N 26506 2 44 . 1 1 50 50 LYS N N 15 19.03 0.127 . . . . 50 K N 26506 2 45 . 1 1 51 51 GLY N N 15 21.27 0.328 . . . . 51 G N 26506 2 46 . 1 1 52 52 VAL N N 15 20.48 0.343 . . . . 52 V N 26506 2 47 . 1 1 54 54 LEU N N 15 18.87 0.181 . . . . 54 L N 26506 2 48 . 1 1 55 55 THR N N 15 22.71 0.859 . . . . 55 T N 26506 2 49 . 1 1 56 56 GLN N N 15 21.93 0.119 . . . . 56 Q N 26506 2 50 . 1 1 57 57 ARG N N 15 18.5 0.088 . . . . 57 R N 26506 2 51 . 1 1 61 61 ARG N N 15 21.56 0.169 . . . . 61 R N 26506 2 52 . 1 1 62 62 THR N N 15 21.85 0.714 . . . . 62 T N 26506 2 53 . 1 1 63 63 LEU N N 15 22.27 0.215 . . . . 63 L N 26506 2 54 . 1 1 64 64 ASP N N 15 21.18 0.604 . . . . 64 D N 26506 2 55 . 1 1 65 65 VAL N N 15 23.19 0.298 . . . . 65 V N 26506 2 56 . 1 1 66 66 GLU N N 15 23.15 1.363 . . . . 66 E N 26506 2 57 . 1 1 67 67 TRP N N 15 23.41 0.573 . . . . 67 W N 26506 2 58 . 1 1 68 68 ARG N N 15 20.74 0.424 . . . . 68 R N 26506 2 59 . 1 1 69 69 SER N N 15 21.92 0.271 . . . . 69 S N 26506 2 60 . 1 1 70 70 GLY N N 15 13.12 0.491 . . . . 70 G N 26506 2 61 . 1 1 71 71 VAL N N 15 11.37 0.055 . . . . 71 V N 26506 2 62 . 1 1 72 72 ALA N N 15 15.61 0.208 . . . . 72 A N 26506 2 63 . 1 1 73 73 GLY N N 15 16.69 0.385 . . . . 73 G N 26506 2 64 . 1 1 74 74 HIS N N 15 18.59 0.202 . . . . 74 H N 26506 2 65 . 1 1 75 75 LEU N N 15 20.56 0.188 . . . . 75 L N 26506 2 66 . 1 1 76 76 ILE N N 15 19.88 0.507 . . . . 76 I N 26506 2 67 . 1 1 77 77 LEU N N 15 25.01 0.765 . . . . 77 L N 26506 2 68 . 1 1 78 78 SER N N 15 21.95 0.129 . . . . 78 S N 26506 2 69 . 1 1 79 79 ASP N N 15 21.39 0.472 . . . . 79 D N 26506 2 70 . 1 1 80 80 GLU N N 15 24.67 1.476 . . . . 80 E N 26506 2 71 . 1 1 81 81 ASP N N 15 21.3 0.692 . . . . 81 D N 26506 2 72 . 1 1 83 83 THR N N 15 26.39 1.153 . . . . 83 T N 26506 2 73 . 1 1 96 96 LEU N N 15 23.09 0.491 . . . . 96 L N 26506 2 74 . 1 1 97 97 GLN N N 15 22.85 0.374 . . . . 97 Q N 26506 2 75 . 1 1 98 98 HIS N N 15 21.87 0.269 . . . . 98 H N 26506 2 76 . 1 1 99 99 TYR N N 15 20.55 0.341 . . . . 99 Y N 26506 2 77 . 1 1 100 100 LYS N N 15 21.69 0.461 . . . . 100 K N 26506 2 78 . 1 1 101 101 VAL N N 15 24.2 0.241 . . . . 101 V N 26506 2 79 . 1 1 103 103 ASP N N 15 22.16 0.179 . . . . 103 D N 26506 2 80 . 1 1 104 104 GLY N N 15 21.21 0.126 . . . . 104 G N 26506 2 81 . 1 1 105 105 ALA N N 15 24.55 0.53 . . . . 105 A N 26506 2 82 . 1 1 106 106 THR N N 15 21 0.146 . . . . 106 T N 26506 2 83 . 1 1 107 107 VAL N N 15 23.72 0.341 . . . . 107 V N 26506 2 84 . 1 1 108 108 ALA N N 15 21.27 0.874 . . . . 108 A N 26506 2 85 . 1 1 109 109 LEU N N 15 21.38 0.262 . . . . 109 L N 26506 2 86 . 1 1 110 110 VAL N N 15 23.88 0.355 . . . . 110 V N 26506 2 87 . 1 1 112 112 CYS N N 15 19.83 0.105 . . . . 112 C N 26506 2 88 . 1 1 113 113 LEU N N 15 14.94 0.252 . . . . 113 L N 26506 2 89 . 1 1 114 114 THR N N 15 11.25 0.087 . . . . 114 T N 26506 2 90 . 1 1 115 115 LYS N N 15 8.858 0.124 . . . . 115 K N 26506 2 91 . 1 1 116 116 HIS N N 15 8.107 0.325 . . . . 116 H N 26506 2 92 . 1 1 117 117 VAL N N 15 7.115 0.09 . . . . 117 V N 26506 2 93 . 1 1 118 118 LEU N N 15 6.4 0.046 . . . . 118 L N 26506 2 94 . 1 1 119 119 ARG N N 15 5.049 0.126 . . . . 119 R N 26506 2 95 . 1 1 120 120 GLU N N 15 3.808 0.062 . . . . 120 E N 26506 2 96 . 1 1 121 121 ASN N N 15 3.608 0.074 . . . . 121 N N 26506 2 97 . 1 1 122 122 LYS N N 15 2.034 0.091 . . . . 122 K N 26506 2 stop_ save_ ###################### # Order parameters # ###################### save_order_parameter_list_1 _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode order_parameter_list_1 _Order_parameter_list.Entry_ID 26506 _Order_parameter_list.ID 1 _Order_parameter_list.Sample_condition_list_ID 1 _Order_parameter_list.Sample_condition_list_label $sample_conditions_1 _Order_parameter_list.Tau_e_val_units . _Order_parameter_list.Tau_f_val_units . _Order_parameter_list.Tau_s_val_units . _Order_parameter_list.Rex_field_strength . _Order_parameter_list.Rex_val_units . _Order_parameter_list.Details . _Order_parameter_list.Text_data_format . _Order_parameter_list.Text_data . loop_ _Order_parameter_experiment.Experiment_ID _Order_parameter_experiment.Experiment_name _Order_parameter_experiment.Sample_ID _Order_parameter_experiment.Sample_label _Order_parameter_experiment.Sample_state _Order_parameter_experiment.Entry_ID _Order_parameter_experiment.Order_parameter_list_ID 1 '2D 1H-15N HSQC' . . . 26506 1 stop_ loop_ _Order_parameter_software.Software_ID _Order_parameter_software.Software_label _Order_parameter_software.Method_ID _Order_parameter_software.Method_label _Order_parameter_software.Entry_ID _Order_parameter_software.Order_parameter_list_ID 4 $ModelFree . . 26506 1 stop_ loop_ _Order_param.ID _Order_param.Assembly_atom_ID _Order_param.Entity_assembly_ID _Order_param.Entity_ID _Order_param.Comp_index_ID _Order_param.Seq_ID _Order_param.Comp_ID _Order_param.Atom_ID _Order_param.Atom_type _Order_param.Atom_isotope_number _Order_param.Order_param_val _Order_param.Order_param_val_fit_err _Order_param.Tau_e_val _Order_param.Tau_e_val_fit_err _Order_param.Tau_f_val _Order_param.Tau_f_val_fit_err _Order_param.Tau_s_val _Order_param.Tau_s_val_fit_err _Order_param.Rex_val _Order_param.Rex_val_fit_err _Order_param.Model_free_sum_squared_errs _Order_param.Model_fit _Order_param.Sf2_val _Order_param.Sf2_val_fit_err _Order_param.Ss2_val _Order_param.Ss2_val_fit_err _Order_param.SH2_val _Order_param.SH2_val_fit_err _Order_param.SN2_val _Order_param.SN2_val_fit_err _Order_param.Resonance_ID _Order_param.Auth_entity_assembly_ID _Order_param.Auth_seq_ID _Order_param.Auth_comp_ID _Order_param.Auth_atom_ID _Order_param.Entry_ID _Order_param.Order_parameter_list_ID 1 . 1 1 6 6 TYR N N 15 0.050 . . . . . . . . . . . . . . . . . . . . . 6 Y N 26506 1 2 . 1 1 7 7 ARG N N 15 0.475 . . . . . . . . . . . . . . . . . . . . . 7 R N 26506 1 3 . 1 1 10 10 THR N N 15 0.605 . . . . . . . . . . . . . . . . . . . . . 10 T N 26506 1 4 . 1 1 11 11 LEU N N 15 0.764 . . . . . . . . . . . . . . . . . . . . . 11 L N 26506 1 5 . 1 1 12 12 ASN N N 15 0.722 . . . . . . . . . . . . . . . . . . . . . 12 N N 26506 1 6 . 1 1 13 13 ALA N N 15 0.825 . . . . . . . . . . . . . . . . . . . . . 13 A N 26506 1 7 . 1 1 15 15 LEU N N 15 0.529 . . . . . . . . . . . . . . . . . . . . . 15 L N 26506 1 8 . 1 1 17 17 VAL N N 15 0.304 . . . . . . . . . . . . . . . . . . . . . 17 V N 26506 1 9 . 1 1 20 20 GLY N N 15 0.172 . . . . . . . . . . . . . . . . . . . . . 20 G N 26506 1 10 . 1 1 21 21 ALA N N 15 0.177 . . . . . . . . . . . . . . . . . . . . . 21 A N 26506 1 11 . 1 1 24 24 ALA N N 15 0.309 . . . . . . . . . . . . . . . . . . . . . 24 A N 26506 1 12 . 1 1 26 26 GLY N N 15 0.181 . . . . . . . . . . . . . . . . . . . . . 26 G N 26506 1 13 . 1 1 27 27 VAL N N 15 0.396 . . . . . . . . . . . . . . . . . . . . . 27 V N 26506 1 14 . 1 1 30 30 LYS N N 15 0.930 . . . . . . . . . . . . . . . . . . . . . 30 K N 26506 1 15 . 1 1 31 31 VAL N N 15 0.647 . . . . . . . . . . . . . . . . . . . . . 31 V N 26506 1 16 . 1 1 32 32 LEU N N 15 0.551 . . . . . . . . . . . . . . . . . . . . . 32 L N 26506 1 17 . 1 1 33 33 ASP N N 15 0.747 . . . . . . . . . . . . . . . . . . . . . 33 D N 26506 1 18 . 1 1 37 37 ILE N N 15 0.818 . . . . . . . . . . . . . . . . . . . . . 37 I N 26506 1 19 . 1 1 39 39 GLN N N 15 0.971 . . . . . . . . . . . . . . . . . . . . . 39 Q N 26506 1 20 . 1 1 41 41 LYS N N 15 0.959 . . . . . . . . . . . . . . . . . . . . . 41 K N 26506 1 21 . 1 1 42 42 GLU N N 15 0.953 . . . . . . . . . . . . . . . . . . . . . 42 E N 26506 1 22 . 1 1 43 43 LYS N N 15 0.960 . . . . . . . . . . . . . . . . . . . . . 43 K N 26506 1 23 . 1 1 44 44 MET N N 15 0.957 . . . . . . . . . . . . . . . . . . . . . 44 M N 26506 1 24 . 1 1 45 45 LEU N N 15 0.963 . . . . . . . . . . . . . . . . . . . . . 45 L N 26506 1 25 . 1 1 47 47 GLN N N 15 0.903 . . . . . . . . . . . . . . . . . . . . . 47 Q N 26506 1 26 . 1 1 48 48 LEU N N 15 0.927 . . . . . . . . . . . . . . . . . . . . . 48 L N 26506 1 27 . 1 1 49 49 TYR N N 15 0.894 . . . . . . . . . . . . . . . . . . . . . 49 Y N 26506 1 28 . 1 1 51 51 GLY N N 15 0.373 . . . . . . . . . . . . . . . . . . . . . 51 G N 26506 1 29 . 1 1 52 52 VAL N N 15 0.423 . . . . . . . . . . . . . . . . . . . . . 52 V N 26506 1 30 . 1 1 54 54 LEU N N 15 0.684 . . . . . . . . . . . . . . . . . . . . . 54 L N 26506 1 31 . 1 1 55 55 THR N N 15 0.884 . . . . . . . . . . . . . . . . . . . . . 55 T N 26506 1 32 . 1 1 56 56 GLN N N 15 0.686 . . . . . . . . . . . . . . . . . . . . . 56 Q N 26506 1 33 . 1 1 57 57 ARG N N 15 0.487 . . . . . . . . . . . . . . . . . . . . . 57 R N 26506 1 34 . 1 1 61 61 ARG N N 15 0.692 . . . . . . . . . . . . . . . . . . . . . 61 R N 26506 1 35 . 1 1 62 62 THR N N 15 0.720 . . . . . . . . . . . . . . . . . . . . . 62 T N 26506 1 36 . 1 1 64 64 ASP N N 15 0.930 . . . . . . . . . . . . . . . . . . . . . 64 D N 26506 1 37 . 1 1 65 65 VAL N N 15 0.607 . . . . . . . . . . . . . . . . . . . . . 65 V N 26506 1 38 . 1 1 66 66 GLU N N 15 0.874 . . . . . . . . . . . . . . . . . . . . . 66 E N 26506 1 39 . 1 1 67 67 TRP N N 15 0.791 . . . . . . . . . . . . . . . . . . . . . 67 W N 26506 1 40 . 1 1 68 68 ARG N N 15 0.742 . . . . . . . . . . . . . . . . . . . . . 68 R N 26506 1 41 . 1 1 69 69 SER N N 15 0.558 . . . . . . . . . . . . . . . . . . . . . 69 S N 26506 1 42 . 1 1 70 70 GLY N N 15 0.619 . . . . . . . . . . . . . . . . . . . . . 70 G N 26506 1 43 . 1 1 72 72 ALA N N 15 0.341 . . . . . . . . . . . . . . . . . . . . . 72 A N 26506 1 44 . 1 1 73 73 GLY N N 15 0.189 . . . . . . . . . . . . . . . . . . . . . 73 G N 26506 1 45 . 1 1 74 74 HIS N N 15 0.233 . . . . . . . . . . . . . . . . . . . . . 74 H N 26506 1 46 . 1 1 75 75 LEU N N 15 0.550 . . . . . . . . . . . . . . . . . . . . . 75 L N 26506 1 47 . 1 1 76 76 ILE N N 15 0.703 . . . . . . . . . . . . . . . . . . . . . 76 I N 26506 1 48 . 1 1 77 77 LEU N N 15 0.652 . . . . . . . . . . . . . . . . . . . . . 77 L N 26506 1 49 . 1 1 79 79 ASP N N 15 0.718 . . . . . . . . . . . . . . . . . . . . . 79 D N 26506 1 50 . 1 1 80 80 GLU N N 15 0.674 . . . . . . . . . . . . . . . . . . . . . 80 E N 26506 1 51 . 1 1 81 81 ASP N N 15 0.692 . . . . . . . . . . . . . . . . . . . . . 81 D N 26506 1 52 . 1 1 97 97 GLN N N 15 0.973 . . . . . . . . . . . . . . . . . . . . . 97 Q N 26506 1 53 . 1 1 98 98 HIS N N 15 0.966 . . . . . . . . . . . . . . . . . . . . . 98 H N 26506 1 54 . 1 1 99 99 TYR N N 15 0.811 . . . . . . . . . . . . . . . . . . . . . 99 Y N 26506 1 55 . 1 1 101 101 VAL N N 15 0.875 . . . . . . . . . . . . . . . . . . . . . 101 V N 26506 1 56 . 1 1 104 104 GLY N N 15 0.960 . . . . . . . . . . . . . . . . . . . . . 104 G N 26506 1 57 . 1 1 105 105 ALA N N 15 0.608 . . . . . . . . . . . . . . . . . . . . . 105 A N 26506 1 58 . 1 1 106 106 THR N N 15 0.859 . . . . . . . . . . . . . . . . . . . . . 106 T N 26506 1 59 . 1 1 108 108 ALA N N 15 0.782 . . . . . . . . . . . . . . . . . . . . . 108 A N 26506 1 60 . 1 1 109 109 LEU N N 15 0.836 . . . . . . . . . . . . . . . . . . . . . 109 L N 26506 1 61 . 1 1 110 110 VAL N N 15 0.747 . . . . . . . . . . . . . . . . . . . . . 110 V N 26506 1 62 . 1 1 112 112 CYS N N 15 0.673 . . . . . . . . . . . . . . . . . . . . . 112 C N 26506 1 63 . 1 1 113 113 LEU N N 15 0.667 . . . . . . . . . . . . . . . . . . . . . 113 L N 26506 1 64 . 1 1 115 115 LYS N N 15 0.632 . . . . . . . . . . . . . . . . . . . . . 115 K N 26506 1 65 . 1 1 116 116 HIS N N 15 0.419 . . . . . . . . . . . . . . . . . . . . . 116 H N 26506 1 66 . 1 1 117 117 VAL N N 15 0.352 . . . . . . . . . . . . . . . . . . . . . 117 V N 26506 1 67 . 1 1 118 118 LEU N N 15 0.407 . . . . . . . . . . . . . . . . . . . . . 118 L N 26506 1 68 . 1 1 119 119 ARG N N 15 0.248 . . . . . . . . . . . . . . . . . . . . . 119 R N 26506 1 stop_ save_