data_30755 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30755 _Entry.Title ; B24Y DKP insulin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-05-24 _Entry.Accession_date 2020-05-24 _Entry.Last_release_date 2020-07-27 _Entry.Original_release_date 2020-07-27 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _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 M. Weiss M. A. . . 30755 2 Y. Yang Y. . . . 30755 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID HORMONE . 30755 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30755 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 139 30755 '15N chemical shifts' 42 30755 '1H chemical shifts' 344 30755 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 . . 2022-07-01 2020-05-24 update BMRB 'update entry citation' 30755 1 . . 2020-08-03 2020-05-24 original author 'original release' 30755 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6X4X 'BMRB Entry Tracking System' 30755 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30755 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33154160 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Evolution of insulin at the edge of foldability and its medical implications ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U. S. A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume 117 _Citation.Journal_issue 47 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1091-6490 _Citation.Journal_CSD 0353 _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 29618 _Citation.Page_last 29628 _Citation.Year 2020 _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 Nischay Rege N. K. . . 30755 1 2 Ming Liu M. . . . 30755 1 3 Yanwu Yang Y. . . . 30755 1 4 Balamurugan Dhayalan B. . . . 30755 1 5 Nalinda Wickramasinghe N. P. . . 30755 1 6 Yen-Shan Chen Y. S. . . 30755 1 7 Leili Rahimi L. . . . 30755 1 8 Huan Guo H. . . . 30755 1 9 Leena Haataja L. . . . 30755 1 10 Jinhong Sun J. . . . 30755 1 11 Faramarz Ismail-Beigi F. . . . 30755 1 12 Nelson Phillips N. B. . . 30755 1 13 Peter Arvan P. . . . 30755 1 14 Michael Weiss M. A. . . 30755 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30755 _Assembly.ID 1 _Assembly.Name 'Insulin chain A, Insulin' _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 unit_1 1 $entity_1 A A yes . . . . . . 30755 1 2 unit_2 2 $entity_2 B B yes . . . . . . 30755 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 6 6 SG . 1 . 1 CYS 11 11 SG . . . . . . . . . . . . 30755 1 2 disulfide single . 1 . 1 CYS 7 7 SG . 2 . 2 CYS 7 7 SG . . . . . . . . . . . . 30755 1 3 disulfide single . 1 . 1 CYS 20 20 SG . 2 . 2 CYS 19 19 SG . . . . . . . . . . . . 30755 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30755 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GIVEQCCTSICSLYQLENYC N ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 21 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2383.698 _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 . GLY . 30755 1 2 . ILE . 30755 1 3 . VAL . 30755 1 4 . GLU . 30755 1 5 . GLN . 30755 1 6 . CYS . 30755 1 7 . CYS . 30755 1 8 . THR . 30755 1 9 . SER . 30755 1 10 . ILE . 30755 1 11 . CYS . 30755 1 12 . SER . 30755 1 13 . LEU . 30755 1 14 . TYR . 30755 1 15 . GLN . 30755 1 16 . LEU . 30755 1 17 . GLU . 30755 1 18 . ASN . 30755 1 19 . TYR . 30755 1 20 . CYS . 30755 1 21 . ASN . 30755 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 . GLY 1 1 30755 1 . ILE 2 2 30755 1 . VAL 3 3 30755 1 . GLU 4 4 30755 1 . GLN 5 5 30755 1 . CYS 6 6 30755 1 . CYS 7 7 30755 1 . THR 8 8 30755 1 . SER 9 9 30755 1 . ILE 10 10 30755 1 . CYS 11 11 30755 1 . SER 12 12 30755 1 . LEU 13 13 30755 1 . TYR 14 14 30755 1 . GLN 15 15 30755 1 . LEU 16 16 30755 1 . GLU 17 17 30755 1 . ASN 18 18 30755 1 . TYR 19 19 30755 1 . CYS 20 20 30755 1 . ASN 21 21 30755 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 30755 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; FVNQHLCGSDLVEALYLVCG ERGYFYTKPT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 30 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3426.894 _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 22 PHE . 30755 2 2 23 VAL . 30755 2 3 24 ASN . 30755 2 4 25 GLN . 30755 2 5 26 HIS . 30755 2 6 27 LEU . 30755 2 7 28 CYS . 30755 2 8 29 GLY . 30755 2 9 30 SER . 30755 2 10 31 ASP . 30755 2 11 32 LEU . 30755 2 12 33 VAL . 30755 2 13 34 GLU . 30755 2 14 35 ALA . 30755 2 15 36 LEU . 30755 2 16 37 TYR . 30755 2 17 38 LEU . 30755 2 18 39 VAL . 30755 2 19 40 CYS . 30755 2 20 41 GLY . 30755 2 21 42 GLU . 30755 2 22 43 ARG . 30755 2 23 44 GLY . 30755 2 24 45 TYR . 30755 2 25 46 PHE . 30755 2 26 47 TYR . 30755 2 27 48 THR . 30755 2 28 49 LYS . 30755 2 29 50 PRO . 30755 2 30 51 THR . 30755 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . PHE 1 1 30755 2 . VAL 2 2 30755 2 . ASN 3 3 30755 2 . GLN 4 4 30755 2 . HIS 5 5 30755 2 . LEU 6 6 30755 2 . CYS 7 7 30755 2 . GLY 8 8 30755 2 . SER 9 9 30755 2 . ASP 10 10 30755 2 . LEU 11 11 30755 2 . VAL 12 12 30755 2 . GLU 13 13 30755 2 . ALA 14 14 30755 2 . LEU 15 15 30755 2 . TYR 16 16 30755 2 . LEU 17 17 30755 2 . VAL 18 18 30755 2 . CYS 19 19 30755 2 . GLY 20 20 30755 2 . GLU 21 21 30755 2 . ARG 22 22 30755 2 . GLY 23 23 30755 2 . TYR 24 24 30755 2 . PHE 25 25 30755 2 . TYR 26 26 30755 2 . THR 27 27 30755 2 . LYS 28 28 30755 2 . PRO 29 29 30755 2 . THR 30 30 30755 2 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 30755 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . INS . 30755 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . INS . 30755 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 30755 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Komagataella pastoris' . . 4922 Komagataella pastoris . . . . . . . . . . 30755 1 2 2 $entity_2 . 'recombinant technology' 'Komagataella pastoris' . . 4922 Komagataella pastoris . . . . . . . . . . 30755 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30755 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.5 mM 13C, 15N B24YDKP, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 B24YDKP '[U-13C; U-15N]' . . 1 $entity_1 . . 0.5 . . mM 0.1 . . . 30755 1 2 B24YDKP '[U-13C; U-15N]' . . 2 $entity_2 . . 0.5 . . mM 0.1 . . . 30755 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30755 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.5 mM B24DKP, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 B24DKP 'natural abundance' . . 1 $entity_1 . . 0.5 . . mM . . . . 30755 2 2 B24DKP 'natural abundance' . . 2 $entity_2 . . 0.5 . . mM . . . . 30755 2 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 30755 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . mM 30755 1 pH 7.4 . pH 30755 1 pressure 1 . atm 30755 1 temperature 298 . K 30755 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 30755 _Sample_condition_list.ID 2 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . mM 30755 2 pH 7.4 . pH 30755 2 pressure 1 . atm 30755 2 temperature 303 . K 30755 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30755 _Software.ID 1 _Software.Type . _Software.Name TopSpin _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 30755 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 30755 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30755 _Software.ID 2 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 30755 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 30755 2 'structure calculation' . 30755 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30755 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30755 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 30755 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30755 _Software.ID 4 _Software.Type . _Software.Name PIPP _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Garrett . . 30755 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 30755 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30755 _Software.ID 5 _Software.Type . _Software.Name 'Insight II' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 30755 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 30755 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 30755 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 30755 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 NMR_spectrometer_1 Bruker AVANCE . 700 . . . 30755 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 30755 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '4D NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30755 1 2 '3D 13C-EDITED NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30755 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30755 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30755 1 5 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30755 1 6 '2D 1H-1H TOCSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30755 1 7 '2D 1H-1H NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30755 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 30755 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl carbons' . . . . ppm 0 internal direct 1.0 . . . . . 30755 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . . . 30755 1 N 15 urea nitrogen . . . . ppm 76.8 external direct 1.0 . . . . . 30755 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30755 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chem_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 1 '4D NOESY' . . . 30755 1 2 '3D 13C-EDITED NOESY' . . . 30755 1 3 '3D CBCA(CO)NH' . . . 30755 1 4 '2D 1H-15N HSQC' . . . 30755 1 5 '2D 1H-13C HSQC' . . . 30755 1 6 '2D 1H-1H TOCSY' . . . 30755 1 7 '2D 1H-1H NOESY' . . . 30755 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 1 1 GLY HA2 H 1 3.99 . . . . . . . A 1 GLY HA2 . 30755 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.99 . . . . . . . A 1 GLY HA3 . 30755 1 3 . 1 . 1 1 1 GLY CA C 13 43.63 . . . . . . . A 1 GLY CA . 30755 1 4 . 1 . 1 2 2 ILE HA H 1 3.75 . . . . . . . A 2 ILE HA . 30755 1 5 . 1 . 1 2 2 ILE HB H 1 2.17 . . . . . . . A 2 ILE HB . 30755 1 6 . 1 . 1 2 2 ILE HG12 H 1 0.78 . . . . . . . A 2 ILE HG12 . 30755 1 7 . 1 . 1 2 2 ILE HG13 H 1 1.01 . . . . . . . A 2 ILE HG13 . 30755 1 8 . 1 . 1 2 2 ILE HG21 H 1 0.560 . . . . . . . A 2 ILE HG21 . 30755 1 9 . 1 . 1 2 2 ILE HG22 H 1 0.560 . . . . . . . A 2 ILE HG22 . 30755 1 10 . 1 . 1 2 2 ILE HG23 H 1 0.560 . . . . . . . A 2 ILE HG23 . 30755 1 11 . 1 . 1 2 2 ILE HD11 H 1 0.420 . . . . . . . A 2 ILE HD11 . 30755 1 12 . 1 . 1 2 2 ILE HD12 H 1 0.420 . . . . . . . A 2 ILE HD12 . 30755 1 13 . 1 . 1 2 2 ILE HD13 H 1 0.420 . . . . . . . A 2 ILE HD13 . 30755 1 14 . 1 . 1 2 2 ILE CA C 13 63.38 . . . . . . . A 2 ILE CA . 30755 1 15 . 1 . 1 2 2 ILE CB C 13 37.49 . . . . . . . A 2 ILE CB . 30755 1 16 . 1 . 1 2 2 ILE CG1 C 13 28.25 . . . . . . . A 2 ILE CG1 . 30755 1 17 . 1 . 1 2 2 ILE CG2 C 13 17.010 . . . . . . . A 2 ILE CG2 . 30755 1 18 . 1 . 1 2 2 ILE CD1 C 13 14.42 . . . . . . . A 2 ILE CD1 . 30755 1 19 . 1 . 1 3 3 VAL H H 1 8.14 . . . . . . . A 3 VAL H . 30755 1 20 . 1 . 1 3 3 VAL HA H 1 3.52 . . . . . . . A 3 VAL HA . 30755 1 21 . 1 . 1 3 3 VAL HB H 1 1.88 . . . . . . . A 3 VAL HB . 30755 1 22 . 1 . 1 3 3 VAL HG11 H 1 0.77 . . . . . . . A 3 VAL HG11 . 30755 1 23 . 1 . 1 3 3 VAL HG12 H 1 0.77 . . . . . . . A 3 VAL HG12 . 30755 1 24 . 1 . 1 3 3 VAL HG13 H 1 0.77 . . . . . . . A 3 VAL HG13 . 30755 1 25 . 1 . 1 3 3 VAL HG21 H 1 0.86 . . . . . . . A 3 VAL HG21 . 30755 1 26 . 1 . 1 3 3 VAL HG22 H 1 0.86 . . . . . . . A 3 VAL HG22 . 30755 1 27 . 1 . 1 3 3 VAL HG23 H 1 0.86 . . . . . . . A 3 VAL HG23 . 30755 1 28 . 1 . 1 3 3 VAL CA C 13 65.73 . . . . . . . A 3 VAL CA . 30755 1 29 . 1 . 1 3 3 VAL CB C 13 31.36 . . . . . . . A 3 VAL CB . 30755 1 30 . 1 . 1 3 3 VAL CG1 C 13 21.17 . . . . . . . A 3 VAL CG1 . 30755 1 31 . 1 . 1 3 3 VAL CG2 C 13 22.63 . . . . . . . A 3 VAL CG2 . 30755 1 32 . 1 . 1 3 3 VAL N N 15 123.09 . . . . . . . A 3 VAL N . 30755 1 33 . 1 . 1 4 4 GLU H H 1 8.29 . . . . . . . A 4 GLU H . 30755 1 34 . 1 . 1 4 4 GLU HA H 1 4.070 . . . . . . . A 4 GLU HA . 30755 1 35 . 1 . 1 4 4 GLU HB2 H 1 2.09 . . . . . . . A 4 GLU HB2 . 30755 1 36 . 1 . 1 4 4 GLU HB3 H 1 2.09 . . . . . . . A 4 GLU HB3 . 30755 1 37 . 1 . 1 4 4 GLU HG2 H 1 2.42 . . . . . . . A 4 GLU HG2 . 30755 1 38 . 1 . 1 4 4 GLU HG3 H 1 2.16 . . . . . . . A 4 GLU HG3 . 30755 1 39 . 1 . 1 4 4 GLU CA C 13 59.77 . . . . . . . A 4 GLU CA . 30755 1 40 . 1 . 1 4 4 GLU CB C 13 28.800 . . . . . . . A 4 GLU CB . 30755 1 41 . 1 . 1 4 4 GLU CG C 13 37.08 . . . . . . . A 4 GLU CG . 30755 1 42 . 1 . 1 4 4 GLU N N 15 121.29 . . . . . . . A 4 GLU N . 30755 1 43 . 1 . 1 5 5 GLN HA H 1 3.990 . . . . . . . A 5 GLN HA . 30755 1 44 . 1 . 1 5 5 GLN HB2 H 1 2.02 . . . . . . . A 5 GLN HB2 . 30755 1 45 . 1 . 1 5 5 GLN HB3 H 1 2.12 . . . . . . . A 5 GLN HB3 . 30755 1 46 . 1 . 1 5 5 GLN HG2 H 1 2.43 . . . . . . . A 5 GLN HG2 . 30755 1 47 . 1 . 1 5 5 GLN HG3 H 1 2.31 . . . . . . . A 5 GLN HG3 . 30755 1 48 . 1 . 1 5 5 GLN HE21 H 1 7.48 . . . . . . . A 5 GLN HE21 . 30755 1 49 . 1 . 1 5 5 GLN HE22 H 1 6.87 . . . . . . . A 5 GLN HE22 . 30755 1 50 . 1 . 1 5 5 GLN CA C 13 58.890 . . . . . . . A 5 GLN CA . 30755 1 51 . 1 . 1 5 5 GLN CB C 13 29.45 . . . . . . . A 5 GLN CB . 30755 1 52 . 1 . 1 5 5 GLN CG C 13 34.01 . . . . . . . A 5 GLN CG . 30755 1 53 . 1 . 1 5 5 GLN NE2 N 15 111.72 . . . . . . . A 5 GLN NE2 . 30755 1 54 . 1 . 1 6 6 CYS H H 1 8.29 . . . . . . . A 6 CYS H . 30755 1 55 . 1 . 1 6 6 CYS HA H 1 4.97 . . . . . . . A 6 CYS HA . 30755 1 56 . 1 . 1 6 6 CYS HB2 H 1 3.99 . . . . . . . A 6 CYS HB2 . 30755 1 57 . 1 . 1 6 6 CYS HB3 H 1 2.83 . . . . . . . A 6 CYS HB3 . 30755 1 58 . 1 . 1 6 6 CYS CA C 13 54.63 . . . . . . . A 6 CYS CA . 30755 1 59 . 1 . 1 6 6 CYS N N 15 111.94 . . . . . . . A 6 CYS N . 30755 1 60 . 1 . 1 7 7 CYS H H 1 8.16 . . . . . . . A 7 CYS H . 30755 1 61 . 1 . 1 7 7 CYS HA H 1 4.83 . . . . . . . A 7 CYS HA . 30755 1 62 . 1 . 1 7 7 CYS HB2 H 1 3.25 . . . . . . . A 7 CYS HB2 . 30755 1 63 . 1 . 1 7 7 CYS HB3 H 1 3.72 . . . . . . . A 7 CYS HB3 . 30755 1 64 . 1 . 1 7 7 CYS CA C 13 56.89 . . . . . . . A 7 CYS CA . 30755 1 65 . 1 . 1 7 7 CYS CB C 13 38.90 . . . . . . . A 7 CYS CB . 30755 1 66 . 1 . 1 7 7 CYS N N 15 118.23 . . . . . . . A 7 CYS N . 30755 1 67 . 1 . 1 8 8 THR H H 1 8.14 . . . . . . . A 8 THR H . 30755 1 68 . 1 . 1 8 8 THR HA H 1 4.00 . . . . . . . A 8 THR HA . 30755 1 69 . 1 . 1 8 8 THR HB H 1 4.36 . . . . . . . A 8 THR HB . 30755 1 70 . 1 . 1 8 8 THR HG21 H 1 1.19 . . . . . . . A 8 THR HG21 . 30755 1 71 . 1 . 1 8 8 THR HG22 H 1 1.19 . . . . . . . A 8 THR HG22 . 30755 1 72 . 1 . 1 8 8 THR HG23 H 1 1.19 . . . . . . . A 8 THR HG23 . 30755 1 73 . 1 . 1 8 8 THR CA C 13 64.33 . . . . . . . A 8 THR CA . 30755 1 74 . 1 . 1 8 8 THR CB C 13 68.76 . . . . . . . A 8 THR CB . 30755 1 75 . 1 . 1 8 8 THR CG2 C 13 22.24 . . . . . . . A 8 THR CG2 . 30755 1 76 . 1 . 1 8 8 THR N N 15 112.11 . . . . . . . A 8 THR N . 30755 1 77 . 1 . 1 9 9 SER HA H 1 4.69 . . . . . . . A 9 SER HA . 30755 1 78 . 1 . 1 9 9 SER HB2 H 1 3.93 . . . . . . . A 9 SER HB2 . 30755 1 79 . 1 . 1 9 9 SER HB3 H 1 3.79 . . . . . . . A 9 SER HB3 . 30755 1 80 . 1 . 1 9 9 SER CA C 13 56.48 . . . . . . . A 9 SER CA . 30755 1 81 . 1 . 1 9 9 SER CB C 13 64.70 . . . . . . . A 9 SER CB . 30755 1 82 . 1 . 1 10 10 ILE H H 1 7.80 . . . . . . . A 10 ILE H . 30755 1 83 . 1 . 1 10 10 ILE HA H 1 4.21 . . . . . . . A 10 ILE HA . 30755 1 84 . 1 . 1 10 10 ILE HB H 1 1.49 . . . . . . . A 10 ILE HB . 30755 1 85 . 1 . 1 10 10 ILE HG12 H 1 0.32 . . . . . . . A 10 ILE HG12 . 30755 1 86 . 1 . 1 10 10 ILE HG13 H 1 1.01 . . . . . . . A 10 ILE HG13 . 30755 1 87 . 1 . 1 10 10 ILE HG21 H 1 0.59 . . . . . . . A 10 ILE HG21 . 30755 1 88 . 1 . 1 10 10 ILE HG22 H 1 0.59 . . . . . . . A 10 ILE HG22 . 30755 1 89 . 1 . 1 10 10 ILE HG23 H 1 0.59 . . . . . . . A 10 ILE HG23 . 30755 1 90 . 1 . 1 10 10 ILE HD11 H 1 0.42 . . . . . . . A 10 ILE HD11 . 30755 1 91 . 1 . 1 10 10 ILE HD12 H 1 0.42 . . . . . . . A 10 ILE HD12 . 30755 1 92 . 1 . 1 10 10 ILE HD13 H 1 0.42 . . . . . . . A 10 ILE HD13 . 30755 1 93 . 1 . 1 10 10 ILE CA C 13 60.28 . . . . . . . A 10 ILE CA . 30755 1 94 . 1 . 1 10 10 ILE CB C 13 38.65 . . . . . . . A 10 ILE CB . 30755 1 95 . 1 . 1 10 10 ILE CG1 C 13 27.18 . . . . . . . A 10 ILE CG1 . 30755 1 96 . 1 . 1 10 10 ILE CG2 C 13 17.23 . . . . . . . A 10 ILE CG2 . 30755 1 97 . 1 . 1 10 10 ILE CD1 C 13 12.35 . . . . . . . A 10 ILE CD1 . 30755 1 98 . 1 . 1 10 10 ILE N N 15 117.59 . . . . . . . A 10 ILE N . 30755 1 99 . 1 . 1 11 11 CYS H H 1 9.80 . . . . . . . A 11 CYS H . 30755 1 100 . 1 . 1 11 11 CYS HB2 H 1 3.29 . . . . . . . A 11 CYS HB2 . 30755 1 101 . 1 . 1 11 11 CYS HB3 H 1 3.17 . . . . . . . A 11 CYS HB3 . 30755 1 102 . 1 . 1 12 12 SER H H 1 8.54 . . . . . . . A 12 SER H . 30755 1 103 . 1 . 1 12 12 SER HA H 1 4.56 . . . . . . . A 12 SER HA . 30755 1 104 . 1 . 1 12 12 SER HB2 H 1 4.13 . . . . . . . A 12 SER HB2 . 30755 1 105 . 1 . 1 12 12 SER HB3 H 1 3.95 . . . . . . . A 12 SER HB3 . 30755 1 106 . 1 . 1 12 12 SER CA C 13 56.63 . . . . . . . A 12 SER CA . 30755 1 107 . 1 . 1 12 12 SER CB C 13 65.74 . . . . . . . A 12 SER CB . 30755 1 108 . 1 . 1 12 12 SER N N 15 116.69 . . . . . . . A 12 SER N . 30755 1 109 . 1 . 1 13 13 LEU H H 1 8.66 . . . . . . . A 13 LEU H . 30755 1 110 . 1 . 1 13 13 LEU HA H 1 3.82 . . . . . . . A 13 LEU HA . 30755 1 111 . 1 . 1 13 13 LEU HB2 H 1 1.37 . . . . . . . A 13 LEU HB2 . 30755 1 112 . 1 . 1 13 13 LEU HB3 H 1 1.41 . . . . . . . A 13 LEU HB3 . 30755 1 113 . 1 . 1 13 13 LEU HG H 1 1.48 . . . . . . . A 13 LEU HG . 30755 1 114 . 1 . 1 13 13 LEU HD11 H 1 0.79 . . . . . . . A 13 LEU HD11 . 30755 1 115 . 1 . 1 13 13 LEU HD12 H 1 0.79 . . . . . . . A 13 LEU HD12 . 30755 1 116 . 1 . 1 13 13 LEU HD13 H 1 0.79 . . . . . . . A 13 LEU HD13 . 30755 1 117 . 1 . 1 13 13 LEU HD21 H 1 0.73 . . . . . . . A 13 LEU HD21 . 30755 1 118 . 1 . 1 13 13 LEU HD22 H 1 0.73 . . . . . . . A 13 LEU HD22 . 30755 1 119 . 1 . 1 13 13 LEU HD23 H 1 0.73 . . . . . . . A 13 LEU HD23 . 30755 1 120 . 1 . 1 13 13 LEU CA C 13 58.54 . . . . . . . A 13 LEU CA . 30755 1 121 . 1 . 1 13 13 LEU CB C 13 41.22 . . . . . . . A 13 LEU CB . 30755 1 122 . 1 . 1 13 13 LEU CG C 13 27.00 . . . . . . . A 13 LEU CG . 30755 1 123 . 1 . 1 13 13 LEU CD1 C 13 24.51 . . . . . . . A 13 LEU CD1 . 30755 1 124 . 1 . 1 13 13 LEU CD2 C 13 24.42 . . . . . . . A 13 LEU CD2 . 30755 1 125 . 1 . 1 13 13 LEU N N 15 122.22 . . . . . . . A 13 LEU N . 30755 1 126 . 1 . 1 14 14 TYR H H 1 7.61 . . . . . . . A 14 TYR H . 30755 1 127 . 1 . 1 14 14 TYR HA H 1 4.26 . . . . . . . A 14 TYR HA . 30755 1 128 . 1 . 1 14 14 TYR HB2 H 1 2.95 . . . . . . . A 14 TYR HB2 . 30755 1 129 . 1 . 1 14 14 TYR HB3 H 1 2.95 . . . . . . . A 14 TYR HB3 . 30755 1 130 . 1 . 1 14 14 TYR HD1 H 1 7.05 . . . . . . . A 14 TYR HD1 . 30755 1 131 . 1 . 1 14 14 TYR HD2 H 1 7.05 . . . . . . . A 14 TYR HD2 . 30755 1 132 . 1 . 1 14 14 TYR HE1 H 1 6.77 . . . . . . . A 14 TYR HE1 . 30755 1 133 . 1 . 1 14 14 TYR HE2 H 1 6.77 . . . . . . . A 14 TYR HE2 . 30755 1 134 . 1 . 1 14 14 TYR CA C 13 60.00 . . . . . . . A 14 TYR CA . 30755 1 135 . 1 . 1 14 14 TYR CB C 13 37.68 . . . . . . . A 14 TYR CB . 30755 1 136 . 1 . 1 14 14 TYR CD1 C 13 133.13 . . . . . . . A 14 TYR CD1 . 30755 1 137 . 1 . 1 14 14 TYR CD2 C 13 133.13 . . . . . . . A 14 TYR CD2 . 30755 1 138 . 1 . 1 14 14 TYR CE1 C 13 118.37 . . . . . . . A 14 TYR CE1 . 30755 1 139 . 1 . 1 14 14 TYR CE2 C 13 118.37 . . . . . . . A 14 TYR CE2 . 30755 1 140 . 1 . 1 14 14 TYR N N 15 115.76 . . . . . . . A 14 TYR N . 30755 1 141 . 1 . 1 15 15 GLN H H 1 7.45 . . . . . . . A 15 GLN H . 30755 1 142 . 1 . 1 15 15 GLN HA H 1 3.92 . . . . . . . A 15 GLN HA . 30755 1 143 . 1 . 1 15 15 GLN HB2 H 1 2.30 . . . . . . . A 15 GLN HB2 . 30755 1 144 . 1 . 1 15 15 GLN HB3 H 1 1.97 . . . . . . . A 15 GLN HB3 . 30755 1 145 . 1 . 1 15 15 GLN HG2 H 1 2.18 . . . . . . . A 15 GLN HG2 . 30755 1 146 . 1 . 1 15 15 GLN HG3 H 1 2.35 . . . . . . . A 15 GLN HG3 . 30755 1 147 . 1 . 1 15 15 GLN HE21 H 1 7.49 . . . . . . . A 15 GLN HE21 . 30755 1 148 . 1 . 1 15 15 GLN HE22 H 1 6.96 . . . . . . . A 15 GLN HE22 . 30755 1 149 . 1 . 1 15 15 GLN CA C 13 58.42 . . . . . . . A 15 GLN CA . 30755 1 150 . 1 . 1 15 15 GLN CB C 13 29.22 . . . . . . . A 15 GLN CB . 30755 1 151 . 1 . 1 15 15 GLN CG C 13 35.30 . . . . . . . A 15 GLN CG . 30755 1 152 . 1 . 1 15 15 GLN N N 15 118.22 . . . . . . . A 15 GLN N . 30755 1 153 . 1 . 1 15 15 GLN NE2 N 15 111.95 . . . . . . . A 15 GLN NE2 . 30755 1 154 . 1 . 1 16 16 LEU H H 1 7.83 . . . . . . . A 16 LEU H . 30755 1 155 . 1 . 1 16 16 LEU HA H 1 4.04 . . . . . . . A 16 LEU HA . 30755 1 156 . 1 . 1 16 16 LEU HB2 H 1 1.92 . . . . . . . A 16 LEU HB2 . 30755 1 157 . 1 . 1 16 16 LEU HB3 H 1 1.38 . . . . . . . A 16 LEU HB3 . 30755 1 158 . 1 . 1 16 16 LEU HG H 1 1.70 . . . . . . . A 16 LEU HG . 30755 1 159 . 1 . 1 16 16 LEU HD11 H 1 0.69 . . . . . . . A 16 LEU HD11 . 30755 1 160 . 1 . 1 16 16 LEU HD12 H 1 0.69 . . . . . . . A 16 LEU HD12 . 30755 1 161 . 1 . 1 16 16 LEU HD13 H 1 0.69 . . . . . . . A 16 LEU HD13 . 30755 1 162 . 1 . 1 16 16 LEU HD21 H 1 0.72 . . . . . . . A 16 LEU HD21 . 30755 1 163 . 1 . 1 16 16 LEU HD22 H 1 0.72 . . . . . . . A 16 LEU HD22 . 30755 1 164 . 1 . 1 16 16 LEU HD23 H 1 0.72 . . . . . . . A 16 LEU HD23 . 30755 1 165 . 1 . 1 16 16 LEU CA C 13 58.34 . . . . . . . A 16 LEU CA . 30755 1 166 . 1 . 1 16 16 LEU CB C 13 41.97 . . . . . . . A 16 LEU CB . 30755 1 167 . 1 . 1 16 16 LEU CG C 13 27.03 . . . . . . . A 16 LEU CG . 30755 1 168 . 1 . 1 16 16 LEU CD1 C 13 24.51 . . . . . . . A 16 LEU CD1 . 30755 1 169 . 1 . 1 16 16 LEU CD2 C 13 26.15 . . . . . . . A 16 LEU CD2 . 30755 1 170 . 1 . 1 16 16 LEU N N 15 119.71 . . . . . . . A 16 LEU N . 30755 1 171 . 1 . 1 17 17 GLU H H 1 8.03 . . . . . . . A 17 GLU H . 30755 1 172 . 1 . 1 17 17 GLU HA H 1 4.15 . . . . . . . A 17 GLU HA . 30755 1 173 . 1 . 1 17 17 GLU HB2 H 1 1.92 . . . . . . . A 17 GLU HB2 . 30755 1 174 . 1 . 1 17 17 GLU HB3 H 1 1.98 . . . . . . . A 17 GLU HB3 . 30755 1 175 . 1 . 1 17 17 GLU HG2 H 1 2.32 . . . . . . . A 17 GLU HG2 . 30755 1 176 . 1 . 1 17 17 GLU HG3 H 1 2.18 . . . . . . . A 17 GLU HG3 . 30755 1 177 . 1 . 1 17 17 GLU CA C 13 58.21 . . . . . . . A 17 GLU CA . 30755 1 178 . 1 . 1 17 17 GLU CB C 13 29.40 . . . . . . . A 17 GLU CB . 30755 1 179 . 1 . 1 17 17 GLU CG C 13 37.09 . . . . . . . A 17 GLU CG . 30755 1 180 . 1 . 1 17 17 GLU N N 15 115.88 . . . . . . . A 17 GLU N . 30755 1 181 . 1 . 1 18 18 ASN H H 1 7.26 . . . . . . . A 18 ASN H . 30755 1 182 . 1 . 1 18 18 ASN HA H 1 4.41 . . . . . . . A 18 ASN HA . 30755 1 183 . 1 . 1 18 18 ASN HB2 H 1 2.48 . . . . . . . A 18 ASN HB2 . 30755 1 184 . 1 . 1 18 18 ASN HB3 H 1 2.58 . . . . . . . A 18 ASN HB3 . 30755 1 185 . 1 . 1 18 18 ASN HD21 H 1 7.13 . . . . . . . A 18 ASN HD21 . 30755 1 186 . 1 . 1 18 18 ASN HD22 H 1 6.55 . . . . . . . A 18 ASN HD22 . 30755 1 187 . 1 . 1 18 18 ASN CA C 13 54.83 . . . . . . . A 18 ASN CA . 30755 1 188 . 1 . 1 18 18 ASN CB C 13 38.70 . . . . . . . A 18 ASN CB . 30755 1 189 . 1 . 1 18 18 ASN N N 15 116.11 . . . . . . . A 18 ASN N . 30755 1 190 . 1 . 1 18 18 ASN ND2 N 15 112.11 . . . . . . . A 18 ASN ND2 . 30755 1 191 . 1 . 1 19 19 TYR H H 1 7.94 . . . . . . . A 19 TYR H . 30755 1 192 . 1 . 1 19 19 TYR HA H 1 4.24 . . . . . . . A 19 TYR HA . 30755 1 193 . 1 . 1 19 19 TYR HB2 H 1 3.39 . . . . . . . A 19 TYR HB2 . 30755 1 194 . 1 . 1 19 19 TYR HB3 H 1 2.78 . . . . . . . A 19 TYR HB3 . 30755 1 195 . 1 . 1 19 19 TYR HD1 H 1 7.26 . . . . . . . A 19 TYR HD1 . 30755 1 196 . 1 . 1 19 19 TYR HD2 H 1 7.26 . . . . . . . A 19 TYR HD2 . 30755 1 197 . 1 . 1 19 19 TYR HE1 H 1 6.70 . . . . . . . A 19 TYR HE1 . 30755 1 198 . 1 . 1 19 19 TYR HE2 H 1 6.70 . . . . . . . A 19 TYR HE2 . 30755 1 199 . 1 . 1 19 19 TYR CA C 13 59.05 . . . . . . . A 19 TYR CA . 30755 1 200 . 1 . 1 19 19 TYR CB C 13 37.74 . . . . . . . A 19 TYR CB . 30755 1 201 . 1 . 1 19 19 TYR CD1 C 13 133.85 . . . . . . . A 19 TYR CD1 . 30755 1 202 . 1 . 1 19 19 TYR CD2 C 13 133.85 . . . . . . . A 19 TYR CD2 . 30755 1 203 . 1 . 1 19 19 TYR CE1 C 13 117.71 . . . . . . . A 19 TYR CE1 . 30755 1 204 . 1 . 1 19 19 TYR CE2 C 13 117.71 . . . . . . . A 19 TYR CE2 . 30755 1 205 . 1 . 1 19 19 TYR N N 15 117.40 . . . . . . . A 19 TYR N . 30755 1 206 . 1 . 1 20 20 CYS H H 1 7.26 . . . . . . . A 20 CYS H . 30755 1 207 . 1 . 1 20 20 CYS HA H 1 5.07 . . . . . . . A 20 CYS HA . 30755 1 208 . 1 . 1 20 20 CYS HB2 H 1 3.24 . . . . . . . A 20 CYS HB2 . 30755 1 209 . 1 . 1 20 20 CYS HB3 H 1 2.75 . . . . . . . A 20 CYS HB3 . 30755 1 210 . 1 . 1 20 20 CYS CA C 13 52.88 . . . . . . . A 20 CYS CA . 30755 1 211 . 1 . 1 20 20 CYS CB C 13 35.45 . . . . . . . A 20 CYS CB . 30755 1 212 . 1 . 1 20 20 CYS N N 15 115.75 . . . . . . . A 20 CYS N . 30755 1 213 . 1 . 1 21 21 ASN H H 1 7.96 . . . . . . . A 21 ASN H . 30755 1 214 . 1 . 1 21 21 ASN HA H 1 4.42 . . . . . . . A 21 ASN HA . 30755 1 215 . 1 . 1 21 21 ASN HB2 H 1 2.71 . . . . . . . A 21 ASN HB2 . 30755 1 216 . 1 . 1 21 21 ASN HB3 H 1 2.57 . . . . . . . A 21 ASN HB3 . 30755 1 217 . 1 . 1 21 21 ASN HD21 H 1 6.47 . . . . . . . A 21 ASN HD21 . 30755 1 218 . 1 . 1 21 21 ASN HD22 H 1 7.46 . . . . . . . A 21 ASN HD22 . 30755 1 219 . 1 . 1 21 21 ASN CA C 13 55.51 . . . . . . . A 21 ASN CA . 30755 1 220 . 1 . 1 21 21 ASN CB C 13 39.10 . . . . . . . A 21 ASN CB . 30755 1 221 . 1 . 1 21 21 ASN N N 15 125.26 . . . . . . . A 21 ASN N . 30755 1 222 . 1 . 1 21 21 ASN ND2 N 15 112.52 . . . . . . . A 21 ASN ND2 . 30755 1 223 . 2 . 2 1 1 PHE HA H 1 3.96 . . . . . . . B 22 PHE HA . 30755 1 224 . 2 . 2 1 1 PHE HB2 H 1 3.02 . . . . . . . B 22 PHE HB2 . 30755 1 225 . 2 . 2 1 1 PHE HB3 H 1 2.99 . . . . . . . B 22 PHE HB3 . 30755 1 226 . 2 . 2 1 1 PHE HD1 H 1 7.14 . . . . . . . B 22 PHE HD1 . 30755 1 227 . 2 . 2 1 1 PHE HD2 H 1 7.14 . . . . . . . B 22 PHE HD2 . 30755 1 228 . 2 . 2 1 1 PHE HE1 H 1 7.15 . . . . . . . B 22 PHE HE1 . 30755 1 229 . 2 . 2 1 1 PHE HE2 H 1 7.15 . . . . . . . B 22 PHE HE2 . 30755 1 230 . 2 . 2 1 1 PHE HZ H 1 7.23 . . . . . . . B 22 PHE HZ . 30755 1 231 . 2 . 2 1 1 PHE CA C 13 57.73 . . . . . . . B 22 PHE CA . 30755 1 232 . 2 . 2 1 1 PHE CB C 13 41.37 . . . . . . . B 22 PHE CB . 30755 1 233 . 2 . 2 1 1 PHE CD1 C 13 132.17 . . . . . . . B 22 PHE CD1 . 30755 1 234 . 2 . 2 1 1 PHE CD2 C 13 132.17 . . . . . . . B 22 PHE CD2 . 30755 1 235 . 2 . 2 1 1 PHE CE1 C 13 130.15 . . . . . . . B 22 PHE CE1 . 30755 1 236 . 2 . 2 1 1 PHE CE2 C 13 130.15 . . . . . . . B 22 PHE CE2 . 30755 1 237 . 2 . 2 1 1 PHE CZ C 13 131.47 . . . . . . . B 22 PHE CZ . 30755 1 238 . 2 . 2 2 2 VAL HA H 1 3.97 . . . . . . . B 23 VAL HA . 30755 1 239 . 2 . 2 2 2 VAL HB H 1 1.87 . . . . . . . B 23 VAL HB . 30755 1 240 . 2 . 2 2 2 VAL HG11 H 1 0.82 . . . . . . . B 23 VAL HG11 . 30755 1 241 . 2 . 2 2 2 VAL HG12 H 1 0.82 . . . . . . . B 23 VAL HG12 . 30755 1 242 . 2 . 2 2 2 VAL HG13 H 1 0.82 . . . . . . . B 23 VAL HG13 . 30755 1 243 . 2 . 2 2 2 VAL HG21 H 1 0.76 . . . . . . . B 23 VAL HG21 . 30755 1 244 . 2 . 2 2 2 VAL HG22 H 1 0.76 . . . . . . . B 23 VAL HG22 . 30755 1 245 . 2 . 2 2 2 VAL HG23 H 1 0.76 . . . . . . . B 23 VAL HG23 . 30755 1 246 . 2 . 2 2 2 VAL CA C 13 62.00 . . . . . . . B 23 VAL CA . 30755 1 247 . 2 . 2 2 2 VAL CB C 13 32.85 . . . . . . . B 23 VAL CB . 30755 1 248 . 2 . 2 2 2 VAL CG1 C 13 21.10 . . . . . . . B 23 VAL CG1 . 30755 1 249 . 2 . 2 2 2 VAL CG2 C 13 20.50 . . . . . . . B 23 VAL CG2 . 30755 1 250 . 2 . 2 3 3 ASN H H 1 8.52 . . . . . . . B 24 ASN H . 30755 1 251 . 2 . 2 3 3 ASN HA H 1 4.54 . . . . . . . B 24 ASN HA . 30755 1 252 . 2 . 2 3 3 ASN HB2 H 1 2.68 . . . . . . . B 24 ASN HB2 . 30755 1 253 . 2 . 2 3 3 ASN HB3 H 1 2.76 . . . . . . . B 24 ASN HB3 . 30755 1 254 . 2 . 2 3 3 ASN HD21 H 1 6.82 . . . . . . . B 24 ASN HD21 . 30755 1 255 . 2 . 2 3 3 ASN HD22 H 1 7.51 . . . . . . . B 24 ASN HD22 . 30755 1 256 . 2 . 2 3 3 ASN CA C 13 53.46 . . . . . . . B 24 ASN CA . 30755 1 257 . 2 . 2 3 3 ASN CB C 13 38.31 . . . . . . . B 24 ASN CB . 30755 1 258 . 2 . 2 3 3 ASN N N 15 122.34 . . . . . . . B 24 ASN N . 30755 1 259 . 2 . 2 3 3 ASN ND2 N 15 112.04 . . . . . . . B 24 ASN ND2 . 30755 1 260 . 2 . 2 4 4 GLN H H 1 8.12 . . . . . . . B 25 GLN H . 30755 1 261 . 2 . 2 4 4 GLN HA H 1 4.46 . . . . . . . B 25 GLN HA . 30755 1 262 . 2 . 2 4 4 GLN HB2 H 1 2.02 . . . . . . . B 25 GLN HB2 . 30755 1 263 . 2 . 2 4 4 GLN HB3 H 1 1.89 . . . . . . . B 25 GLN HB3 . 30755 1 264 . 2 . 2 4 4 GLN HG2 H 1 2.10 . . . . . . . B 25 GLN HG2 . 30755 1 265 . 2 . 2 4 4 GLN HG3 H 1 2.16 . . . . . . . B 25 GLN HG3 . 30755 1 266 . 2 . 2 4 4 GLN HE21 H 1 6.81 . . . . . . . B 25 GLN HE21 . 30755 1 267 . 2 . 2 4 4 GLN HE22 H 1 7.34 . . . . . . . B 25 GLN HE22 . 30755 1 268 . 2 . 2 4 4 GLN CA C 13 54.81 . . . . . . . B 25 GLN CA . 30755 1 269 . 2 . 2 4 4 GLN CB C 13 31.30 . . . . . . . B 25 GLN CB . 30755 1 270 . 2 . 2 4 4 GLN CG C 13 33.08 . . . . . . . B 25 GLN CG . 30755 1 271 . 2 . 2 4 4 GLN N N 15 118.01 . . . . . . . B 25 GLN N . 30755 1 272 . 2 . 2 4 4 GLN NE2 N 15 111.72 . . . . . . . B 25 GLN NE2 . 30755 1 273 . 2 . 2 5 5 HIS H H 1 8.45 . . . . . . . B 26 HIS H . 30755 1 274 . 2 . 2 5 5 HIS HA H 1 4.33 . . . . . . . B 26 HIS HA . 30755 1 275 . 2 . 2 5 5 HIS HB2 H 1 3.05 . . . . . . . B 26 HIS HB2 . 30755 1 276 . 2 . 2 5 5 HIS HB3 H 1 3.42 . . . . . . . B 26 HIS HB3 . 30755 1 277 . 2 . 2 5 5 HIS CA C 13 57.87 . . . . . . . B 26 HIS CA . 30755 1 278 . 2 . 2 5 5 HIS CB C 13 29.16 . . . . . . . B 26 HIS CB . 30755 1 279 . 2 . 2 5 5 HIS N N 15 120.63 . . . . . . . B 26 HIS N . 30755 1 280 . 2 . 2 6 6 LEU H H 1 8.97 . . . . . . . B 27 LEU H . 30755 1 281 . 2 . 2 6 6 LEU HA H 1 4.54 . . . . . . . B 27 LEU HA . 30755 1 282 . 2 . 2 6 6 LEU HB2 H 1 0.70 . . . . . . . B 27 LEU HB2 . 30755 1 283 . 2 . 2 6 6 LEU HB3 H 1 1.70 . . . . . . . B 27 LEU HB3 . 30755 1 284 . 2 . 2 6 6 LEU HG H 1 1.59 . . . . . . . B 27 LEU HG . 30755 1 285 . 2 . 2 6 6 LEU HD11 H 1 0.80 . . . . . . . B 27 LEU HD11 . 30755 1 286 . 2 . 2 6 6 LEU HD12 H 1 0.80 . . . . . . . B 27 LEU HD12 . 30755 1 287 . 2 . 2 6 6 LEU HD13 H 1 0.80 . . . . . . . B 27 LEU HD13 . 30755 1 288 . 2 . 2 6 6 LEU HD21 H 1 0.69 . . . . . . . B 27 LEU HD21 . 30755 1 289 . 2 . 2 6 6 LEU HD22 H 1 0.69 . . . . . . . B 27 LEU HD22 . 30755 1 290 . 2 . 2 6 6 LEU HD23 H 1 0.69 . . . . . . . B 27 LEU HD23 . 30755 1 291 . 2 . 2 6 6 LEU CA C 13 53.72 . . . . . . . B 27 LEU CA . 30755 1 292 . 2 . 2 6 6 LEU CB C 13 44.72 . . . . . . . B 27 LEU CB . 30755 1 293 . 2 . 2 6 6 LEU CG C 13 25.59 . . . . . . . B 27 LEU CG . 30755 1 294 . 2 . 2 6 6 LEU CD1 C 13 26.47 . . . . . . . B 27 LEU CD1 . 30755 1 295 . 2 . 2 6 6 LEU CD2 C 13 23.80 . . . . . . . B 27 LEU CD2 . 30755 1 296 . 2 . 2 6 6 LEU N N 15 127.03 . . . . . . . B 27 LEU N . 30755 1 297 . 2 . 2 7 7 CYS H H 1 8.82 . . . . . . . B 28 CYS H . 30755 1 298 . 2 . 2 7 7 CYS HA H 1 4.91 . . . . . . . B 28 CYS HA . 30755 1 299 . 2 . 2 7 7 CYS HB2 H 1 3.18 . . . . . . . B 28 CYS HB2 . 30755 1 300 . 2 . 2 7 7 CYS HB3 H 1 2.90 . . . . . . . B 28 CYS HB3 . 30755 1 301 . 2 . 2 7 7 CYS CA C 13 53.92 . . . . . . . B 28 CYS CA . 30755 1 302 . 2 . 2 7 7 CYS CB C 13 47.34 . . . . . . . B 28 CYS CB . 30755 1 303 . 2 . 2 7 7 CYS N N 15 120.18 . . . . . . . B 28 CYS N . 30755 1 304 . 2 . 2 8 8 GLY H H 1 9.32 . . . . . . . B 29 GLY H . 30755 1 305 . 2 . 2 8 8 GLY HA2 H 1 3.79 . . . . . . . B 29 GLY HA2 . 30755 1 306 . 2 . 2 8 8 GLY HA3 H 1 3.79 . . . . . . . B 29 GLY HA3 . 30755 1 307 . 2 . 2 8 8 GLY CA C 13 46.65 . . . . . . . B 29 GLY CA . 30755 1 308 . 2 . 2 8 8 GLY N N 15 112.18 . . . . . . . B 29 GLY N . 30755 1 309 . 2 . 2 9 9 SER HA H 1 4.09 . . . . . . . B 30 SER HA . 30755 1 310 . 2 . 2 9 9 SER HB2 H 1 3.88 . . . . . . . B 30 SER HB2 . 30755 1 311 . 2 . 2 9 9 SER HB3 H 1 3.99 . . . . . . . B 30 SER HB3 . 30755 1 312 . 2 . 2 9 9 SER CA C 13 61.29 . . . . . . . B 30 SER CA . 30755 1 313 . 2 . 2 9 9 SER CB C 13 62.56 . . . . . . . B 30 SER CB . 30755 1 314 . 2 . 2 10 10 ASP H H 1 7.96 . . . . . . . B 31 ASP H . 30755 1 315 . 2 . 2 10 10 ASP HA H 1 4.36 . . . . . . . B 31 ASP HA . 30755 1 316 . 2 . 2 10 10 ASP HB2 H 1 2.61 . . . . . . . B 31 ASP HB2 . 30755 1 317 . 2 . 2 10 10 ASP HB3 H 1 2.95 . . . . . . . B 31 ASP HB3 . 30755 1 318 . 2 . 2 10 10 ASP CA C 13 57.06 . . . . . . . B 31 ASP CA . 30755 1 319 . 2 . 2 10 10 ASP CB C 13 39.79 . . . . . . . B 31 ASP CB . 30755 1 320 . 2 . 2 10 10 ASP N N 15 121.06 . . . . . . . B 31 ASP N . 30755 1 321 . 2 . 2 11 11 LEU H H 1 6.91 . . . . . . . B 32 LEU H . 30755 1 322 . 2 . 2 11 11 LEU HA H 1 3.89 . . . . . . . B 32 LEU HA . 30755 1 323 . 2 . 2 11 11 LEU HB2 H 1 1.13 . . . . . . . B 32 LEU HB2 . 30755 1 324 . 2 . 2 11 11 LEU HB3 H 1 1.76 . . . . . . . B 32 LEU HB3 . 30755 1 325 . 2 . 2 11 11 LEU HG H 1 1.23 . . . . . . . B 32 LEU HG . 30755 1 326 . 2 . 2 11 11 LEU HD11 H 1 0.62 . . . . . . . B 32 LEU HD11 . 30755 1 327 . 2 . 2 11 11 LEU HD12 H 1 0.62 . . . . . . . B 32 LEU HD12 . 30755 1 328 . 2 . 2 11 11 LEU HD13 H 1 0.62 . . . . . . . B 32 LEU HD13 . 30755 1 329 . 2 . 2 11 11 LEU HD21 H 1 0.66 . . . . . . . B 32 LEU HD21 . 30755 1 330 . 2 . 2 11 11 LEU HD22 H 1 0.66 . . . . . . . B 32 LEU HD22 . 30755 1 331 . 2 . 2 11 11 LEU HD23 H 1 0.66 . . . . . . . B 32 LEU HD23 . 30755 1 332 . 2 . 2 11 11 LEU CA C 13 57.60 . . . . . . . B 32 LEU CA . 30755 1 333 . 2 . 2 11 11 LEU CB C 13 40.46 . . . . . . . B 32 LEU CB . 30755 1 334 . 2 . 2 11 11 LEU CG C 13 27.11 . . . . . . . B 32 LEU CG . 30755 1 335 . 2 . 2 11 11 LEU CD1 C 13 22.57 . . . . . . . B 32 LEU CD1 . 30755 1 336 . 2 . 2 11 11 LEU CD2 C 13 25.40 . . . . . . . B 32 LEU CD2 . 30755 1 337 . 2 . 2 11 11 LEU N N 15 121.07 . . . . . . . B 32 LEU N . 30755 1 338 . 2 . 2 12 12 VAL H H 1 6.90 . . . . . . . B 33 VAL H . 30755 1 339 . 2 . 2 12 12 VAL HA H 1 3.24 . . . . . . . B 33 VAL HA . 30755 1 340 . 2 . 2 12 12 VAL HB H 1 2.06 . . . . . . . B 33 VAL HB . 30755 1 341 . 2 . 2 12 12 VAL HG11 H 1 0.90 . . . . . . . B 33 VAL HG11 . 30755 1 342 . 2 . 2 12 12 VAL HG12 H 1 0.90 . . . . . . . B 33 VAL HG12 . 30755 1 343 . 2 . 2 12 12 VAL HG13 H 1 0.90 . . . . . . . B 33 VAL HG13 . 30755 1 344 . 2 . 2 12 12 VAL HG21 H 1 0.88 . . . . . . . B 33 VAL HG21 . 30755 1 345 . 2 . 2 12 12 VAL HG22 H 1 0.88 . . . . . . . B 33 VAL HG22 . 30755 1 346 . 2 . 2 12 12 VAL HG23 H 1 0.88 . . . . . . . B 33 VAL HG23 . 30755 1 347 . 2 . 2 12 12 VAL CA C 13 66.61 . . . . . . . B 33 VAL CA . 30755 1 348 . 2 . 2 12 12 VAL CB C 13 31.60 . . . . . . . B 33 VAL CB . 30755 1 349 . 2 . 2 12 12 VAL CG1 C 13 22.19 . . . . . . . B 33 VAL CG1 . 30755 1 350 . 2 . 2 12 12 VAL CG2 C 13 21.30 . . . . . . . B 33 VAL CG2 . 30755 1 351 . 2 . 2 12 12 VAL N N 15 117.41 . . . . . . . B 33 VAL N . 30755 1 352 . 2 . 2 13 13 GLU H H 1 7.85 . . . . . . . B 34 GLU H . 30755 1 353 . 2 . 2 13 13 GLU HA H 1 4.00 . . . . . . . B 34 GLU HA . 30755 1 354 . 2 . 2 13 13 GLU HB2 H 1 2.00 . . . . . . . B 34 GLU HB2 . 30755 1 355 . 2 . 2 13 13 GLU HB3 H 1 2.00 . . . . . . . B 34 GLU HB3 . 30755 1 356 . 2 . 2 13 13 GLU HG2 H 1 2.27 . . . . . . . B 34 GLU HG2 . 30755 1 357 . 2 . 2 13 13 GLU HG3 H 1 2.39 . . . . . . . B 34 GLU HG3 . 30755 1 358 . 2 . 2 13 13 GLU CA C 13 59.24 . . . . . . . B 34 GLU CA . 30755 1 359 . 2 . 2 13 13 GLU CB C 13 29.36 . . . . . . . B 34 GLU CB . 30755 1 360 . 2 . 2 13 13 GLU CG C 13 36.34 . . . . . . . B 34 GLU CG . 30755 1 361 . 2 . 2 13 13 GLU N N 15 117.72 . . . . . . . B 34 GLU N . 30755 1 362 . 2 . 2 14 14 ALA H H 1 7.56 . . . . . . . B 35 ALA H . 30755 1 363 . 2 . 2 14 14 ALA HA H 1 4.04 . . . . . . . B 35 ALA HA . 30755 1 364 . 2 . 2 14 14 ALA HB1 H 1 1.33 . . . . . . . B 35 ALA HB1 . 30755 1 365 . 2 . 2 14 14 ALA HB2 H 1 1.33 . . . . . . . B 35 ALA HB2 . 30755 1 366 . 2 . 2 14 14 ALA HB3 H 1 1.33 . . . . . . . B 35 ALA HB3 . 30755 1 367 . 2 . 2 14 14 ALA CA C 13 55.24 . . . . . . . B 35 ALA CA . 30755 1 368 . 2 . 2 14 14 ALA CB C 13 19.01 . . . . . . . B 35 ALA CB . 30755 1 369 . 2 . 2 14 14 ALA N N 15 121.73 . . . . . . . B 35 ALA N . 30755 1 370 . 2 . 2 15 15 LEU H H 1 8.09 . . . . . . . B 36 LEU H . 30755 1 371 . 2 . 2 15 15 LEU HA H 1 3.74 . . . . . . . B 36 LEU HA . 30755 1 372 . 2 . 2 15 15 LEU HB2 H 1 0.63 . . . . . . . B 36 LEU HB2 . 30755 1 373 . 2 . 2 15 15 LEU HB3 H 1 1.23 . . . . . . . B 36 LEU HB3 . 30755 1 374 . 2 . 2 15 15 LEU HG H 1 1.32 . . . . . . . B 36 LEU HG . 30755 1 375 . 2 . 2 15 15 LEU HD11 H 1 0.24 . . . . . . . B 36 LEU HD11 . 30755 1 376 . 2 . 2 15 15 LEU HD12 H 1 0.24 . . . . . . . B 36 LEU HD12 . 30755 1 377 . 2 . 2 15 15 LEU HD13 H 1 0.24 . . . . . . . B 36 LEU HD13 . 30755 1 378 . 2 . 2 15 15 LEU HD21 H 1 0.56 . . . . . . . B 36 LEU HD21 . 30755 1 379 . 2 . 2 15 15 LEU HD22 H 1 0.56 . . . . . . . B 36 LEU HD22 . 30755 1 380 . 2 . 2 15 15 LEU HD23 H 1 0.56 . . . . . . . B 36 LEU HD23 . 30755 1 381 . 2 . 2 15 15 LEU CA C 13 57.67 . . . . . . . B 36 LEU CA . 30755 1 382 . 2 . 2 15 15 LEU CB C 13 41.12 . . . . . . . B 36 LEU CB . 30755 1 383 . 2 . 2 15 15 LEU CG C 13 26.69 . . . . . . . B 36 LEU CG . 30755 1 384 . 2 . 2 15 15 LEU CD1 C 13 25.47 . . . . . . . B 36 LEU CD1 . 30755 1 385 . 2 . 2 15 15 LEU CD2 C 13 23.97 . . . . . . . B 36 LEU CD2 . 30755 1 386 . 2 . 2 15 15 LEU N N 15 118.14 . . . . . . . B 36 LEU N . 30755 1 387 . 2 . 2 16 16 TYR H H 1 8.16 . . . . . . . B 37 TYR H . 30755 1 388 . 2 . 2 16 16 TYR HA H 1 4.29 . . . . . . . B 37 TYR HA . 30755 1 389 . 2 . 2 16 16 TYR HB2 H 1 3.10 . . . . . . . B 37 TYR HB2 . 30755 1 390 . 2 . 2 16 16 TYR HB3 H 1 3.22 . . . . . . . B 37 TYR HB3 . 30755 1 391 . 2 . 2 16 16 TYR HD1 H 1 7.14 . . . . . . . B 37 TYR HD1 . 30755 1 392 . 2 . 2 16 16 TYR HD2 H 1 7.14 . . . . . . . B 37 TYR HD2 . 30755 1 393 . 2 . 2 16 16 TYR HE1 H 1 6.77 . . . . . . . B 37 TYR HE1 . 30755 1 394 . 2 . 2 16 16 TYR HE2 H 1 6.77 . . . . . . . B 37 TYR HE2 . 30755 1 395 . 2 . 2 16 16 TYR CA C 13 61.15 . . . . . . . B 37 TYR CA . 30755 1 396 . 2 . 2 16 16 TYR CB C 13 37.76 . . . . . . . B 37 TYR CB . 30755 1 397 . 2 . 2 16 16 TYR CD1 C 13 133.08 . . . . . . . B 37 TYR CD1 . 30755 1 398 . 2 . 2 16 16 TYR CD2 C 13 133.08 . . . . . . . B 37 TYR CD2 . 30755 1 399 . 2 . 2 16 16 TYR CE1 C 13 118.03 . . . . . . . B 37 TYR CE1 . 30755 1 400 . 2 . 2 16 16 TYR CE2 C 13 118.03 . . . . . . . B 37 TYR CE2 . 30755 1 401 . 2 . 2 16 16 TYR N N 15 119.84 . . . . . . . B 37 TYR N . 30755 1 402 . 2 . 2 17 17 LEU H H 1 7.68 . . . . . . . B 38 LEU H . 30755 1 403 . 2 . 2 17 17 LEU HA H 1 3.96 . . . . . . . B 38 LEU HA . 30755 1 404 . 2 . 2 17 17 LEU HB2 H 1 1.88 . . . . . . . B 38 LEU HB2 . 30755 1 405 . 2 . 2 17 17 LEU HB3 H 1 1.68 . . . . . . . B 38 LEU HB3 . 30755 1 406 . 2 . 2 17 17 LEU HG H 1 1.76 . . . . . . . B 38 LEU HG . 30755 1 407 . 2 . 2 17 17 LEU HD11 H 1 0.91 . . . . . . . B 38 LEU HD11 . 30755 1 408 . 2 . 2 17 17 LEU HD12 H 1 0.91 . . . . . . . B 38 LEU HD12 . 30755 1 409 . 2 . 2 17 17 LEU HD13 H 1 0.91 . . . . . . . B 38 LEU HD13 . 30755 1 410 . 2 . 2 17 17 LEU HD21 H 1 0.88 . . . . . . . B 38 LEU HD21 . 30755 1 411 . 2 . 2 17 17 LEU HD22 H 1 0.88 . . . . . . . B 38 LEU HD22 . 30755 1 412 . 2 . 2 17 17 LEU HD23 H 1 0.88 . . . . . . . B 38 LEU HD23 . 30755 1 413 . 2 . 2 17 17 LEU CA C 13 57.68 . . . . . . . B 38 LEU CA . 30755 1 414 . 2 . 2 17 17 LEU CB C 13 42.12 . . . . . . . B 38 LEU CB . 30755 1 415 . 2 . 2 17 17 LEU CG C 13 26.92 . . . . . . . B 38 LEU CG . 30755 1 416 . 2 . 2 17 17 LEU CD1 C 13 24.91 . . . . . . . B 38 LEU CD1 . 30755 1 417 . 2 . 2 17 17 LEU CD2 C 13 23.74 . . . . . . . B 38 LEU CD2 . 30755 1 418 . 2 . 2 17 17 LEU N N 15 129.99 . . . . . . . B 38 LEU N . 30755 1 419 . 2 . 2 18 18 VAL H H 1 8.36 . . . . . . . B 39 VAL H . 30755 1 420 . 2 . 2 18 18 VAL HA H 1 3.70 . . . . . . . B 39 VAL HA . 30755 1 421 . 2 . 2 18 18 VAL HB H 1 1.95 . . . . . . . B 39 VAL HB . 30755 1 422 . 2 . 2 18 18 VAL HG11 H 1 0.96 . . . . . . . B 39 VAL HG11 . 30755 1 423 . 2 . 2 18 18 VAL HG12 H 1 0.96 . . . . . . . B 39 VAL HG12 . 30755 1 424 . 2 . 2 18 18 VAL HG13 H 1 0.96 . . . . . . . B 39 VAL HG13 . 30755 1 425 . 2 . 2 18 18 VAL HG21 H 1 0.81 . . . . . . . B 39 VAL HG21 . 30755 1 426 . 2 . 2 18 18 VAL HG22 H 1 0.81 . . . . . . . B 39 VAL HG22 . 30755 1 427 . 2 . 2 18 18 VAL HG23 H 1 0.81 . . . . . . . B 39 VAL HG23 . 30755 1 428 . 2 . 2 18 18 VAL CA C 13 65.66 . . . . . . . B 39 VAL CA . 30755 1 429 . 2 . 2 18 18 VAL CB C 13 32.74 . . . . . . . B 39 VAL CB . 30755 1 430 . 2 . 2 18 18 VAL CG1 C 13 23.11 . . . . . . . B 39 VAL CG1 . 30755 1 431 . 2 . 2 18 18 VAL CG2 C 13 21.55 . . . . . . . B 39 VAL CG2 . 30755 1 432 . 2 . 2 18 18 VAL N N 15 118.27 . . . . . . . B 39 VAL N . 30755 1 433 . 2 . 2 19 19 CYS H H 1 8.68 . . . . . . . B 40 CYS H . 30755 1 434 . 2 . 2 19 19 CYS HA H 1 4.73 . . . . . . . B 40 CYS HA . 30755 1 435 . 2 . 2 19 19 CYS HB2 H 1 3.21 . . . . . . . B 40 CYS HB2 . 30755 1 436 . 2 . 2 19 19 CYS HB3 H 1 2.82 . . . . . . . B 40 CYS HB3 . 30755 1 437 . 2 . 2 19 19 CYS CA C 13 53.95 . . . . . . . B 40 CYS CA . 30755 1 438 . 2 . 2 19 19 CYS CB C 13 36.54 . . . . . . . B 40 CYS CB . 30755 1 439 . 2 . 2 19 19 CYS N N 15 115.85 . . . . . . . B 40 CYS N . 30755 1 440 . 2 . 2 20 20 GLY H H 1 7.71 . . . . . . . B 41 GLY H . 30755 1 441 . 2 . 2 20 20 GLY HA2 H 1 3.87 . . . . . . . B 41 GLY HA2 . 30755 1 442 . 2 . 2 20 20 GLY HA3 H 1 3.69 . . . . . . . B 41 GLY HA3 . 30755 1 443 . 2 . 2 20 20 GLY CA C 13 46.59 . . . . . . . B 41 GLY CA . 30755 1 444 . 2 . 2 20 20 GLY N N 15 108.84 . . . . . . . B 41 GLY N . 30755 1 445 . 2 . 2 21 21 GLU H H 1 8.96 . . . . . . . B 42 GLU H . 30755 1 446 . 2 . 2 21 21 GLU HA H 1 4.10 . . . . . . . B 42 GLU HA . 30755 1 447 . 2 . 2 21 21 GLU HB2 H 1 1.97 . . . . . . . B 42 GLU HB2 . 30755 1 448 . 2 . 2 21 21 GLU HB3 H 1 2.07 . . . . . . . B 42 GLU HB3 . 30755 1 449 . 2 . 2 21 21 GLU HG2 H 1 2.32 . . . . . . . B 42 GLU HG2 . 30755 1 450 . 2 . 2 21 21 GLU HG3 H 1 2.32 . . . . . . . B 42 GLU HG3 . 30755 1 451 . 2 . 2 21 21 GLU CA C 13 57.80 . . . . . . . B 42 GLU CA . 30755 1 452 . 2 . 2 21 21 GLU CB C 13 29.27 . . . . . . . B 42 GLU CB . 30755 1 453 . 2 . 2 21 21 GLU CG C 13 36.32 . . . . . . . B 42 GLU CG . 30755 1 454 . 2 . 2 21 21 GLU N N 15 124.32 . . . . . . . B 42 GLU N . 30755 1 455 . 2 . 2 22 22 ARG H H 1 8.02 . . . . . . . B 43 ARG H . 30755 1 456 . 2 . 2 22 22 ARG HA H 1 4.08 . . . . . . . B 43 ARG HA . 30755 1 457 . 2 . 2 22 22 ARG HB2 H 1 2.07 . . . . . . . B 43 ARG HB2 . 30755 1 458 . 2 . 2 22 22 ARG HB3 H 1 1.99 . . . . . . . B 43 ARG HB3 . 30755 1 459 . 2 . 2 22 22 ARG HG2 H 1 1.77 . . . . . . . B 43 ARG HG2 . 30755 1 460 . 2 . 2 22 22 ARG HG3 H 1 1.77 . . . . . . . B 43 ARG HG3 . 30755 1 461 . 2 . 2 22 22 ARG HD2 H 1 3.30 . . . . . . . B 43 ARG HD2 . 30755 1 462 . 2 . 2 22 22 ARG HD3 H 1 3.24 . . . . . . . B 43 ARG HD3 . 30755 1 463 . 2 . 2 22 22 ARG HE H 1 7.11 . . . . . . . B 43 ARG HE . 30755 1 464 . 2 . 2 22 22 ARG CA C 13 58.13 . . . . . . . B 43 ARG CA . 30755 1 465 . 2 . 2 22 22 ARG CB C 13 31.020 . . . . . . . B 43 ARG CB . 30755 1 466 . 2 . 2 22 22 ARG CG C 13 27.04 . . . . . . . B 43 ARG CG . 30755 1 467 . 2 . 2 22 22 ARG CD C 13 44.05 . . . . . . . B 43 ARG CD . 30755 1 468 . 2 . 2 22 22 ARG N N 15 117.96 . . . . . . . B 43 ARG N . 30755 1 469 . 2 . 2 22 22 ARG NE N 15 84.12 . . . . . . . B 43 ARG NE . 30755 1 470 . 2 . 2 23 23 GLY H H 1 7.38 . . . . . . . B 44 GLY H . 30755 1 471 . 2 . 2 23 23 GLY HA2 H 1 4.10 . . . . . . . B 44 GLY HA2 . 30755 1 472 . 2 . 2 23 23 GLY HA3 H 1 3.84 . . . . . . . B 44 GLY HA3 . 30755 1 473 . 2 . 2 24 24 TYR H H 1 7.64 . . . . . . . B 45 TYR H . 30755 1 474 . 2 . 2 24 24 TYR HA H 1 5.19 . . . . . . . B 45 TYR HA . 30755 1 475 . 2 . 2 24 24 TYR HB2 H 1 3.04 . . . . . . . B 45 TYR HB2 . 30755 1 476 . 2 . 2 24 24 TYR HB3 H 1 2.94 . . . . . . . B 45 TYR HB3 . 30755 1 477 . 2 . 2 24 24 TYR HD1 H 1 6.73 . . . . . . . B 45 TYR HD1 . 30755 1 478 . 2 . 2 24 24 TYR HD2 H 1 6.73 . . . . . . . B 45 TYR HD2 . 30755 1 479 . 2 . 2 24 24 TYR HE1 H 1 6.67 . . . . . . . B 45 TYR HE1 . 30755 1 480 . 2 . 2 24 24 TYR HE2 H 1 6.67 . . . . . . . B 45 TYR HE2 . 30755 1 481 . 2 . 2 25 25 PHE H H 1 8.51 . . . . . . . B 46 PHE H . 30755 1 482 . 2 . 2 25 25 PHE HA H 1 4.82 . . . . . . . B 46 PHE HA . 30755 1 483 . 2 . 2 25 25 PHE HB2 H 1 3.16 . . . . . . . B 46 PHE HB2 . 30755 1 484 . 2 . 2 25 25 PHE HB3 H 1 3.16 . . . . . . . B 46 PHE HB3 . 30755 1 485 . 2 . 2 25 25 PHE HD1 H 1 7.18 . . . . . . . B 46 PHE HD1 . 30755 1 486 . 2 . 2 25 25 PHE HD2 H 1 7.18 . . . . . . . B 46 PHE HD2 . 30755 1 487 . 2 . 2 25 25 PHE HE1 H 1 7.26 . . . . . . . B 46 PHE HE1 . 30755 1 488 . 2 . 2 25 25 PHE HE2 H 1 7.26 . . . . . . . B 46 PHE HE2 . 30755 1 489 . 2 . 2 26 26 TYR H H 1 8.16 . . . . . . . B 47 TYR H . 30755 1 490 . 2 . 2 26 26 TYR HA H 1 4.64 . . . . . . . B 47 TYR HA . 30755 1 491 . 2 . 2 26 26 TYR HB2 H 1 2.98 . . . . . . . B 47 TYR HB2 . 30755 1 492 . 2 . 2 26 26 TYR HB3 H 1 2.98 . . . . . . . B 47 TYR HB3 . 30755 1 493 . 2 . 2 26 26 TYR HD1 H 1 6.96 . . . . . . . B 47 TYR HD1 . 30755 1 494 . 2 . 2 26 26 TYR HD2 H 1 6.96 . . . . . . . B 47 TYR HD2 . 30755 1 495 . 2 . 2 26 26 TYR HE1 H 1 6.67 . . . . . . . B 47 TYR HE1 . 30755 1 496 . 2 . 2 26 26 TYR HE2 H 1 6.67 . . . . . . . B 47 TYR HE2 . 30755 1 497 . 2 . 2 27 27 THR H H 1 7.74 . . . . . . . B 48 THR H . 30755 1 498 . 2 . 2 27 27 THR HA H 1 4.40 . . . . . . . B 48 THR HA . 30755 1 499 . 2 . 2 27 27 THR HB H 1 4.08 . . . . . . . B 48 THR HB . 30755 1 500 . 2 . 2 27 27 THR HG21 H 1 1.18 . . . . . . . B 48 THR HG21 . 30755 1 501 . 2 . 2 27 27 THR HG22 H 1 1.18 . . . . . . . B 48 THR HG22 . 30755 1 502 . 2 . 2 27 27 THR HG23 H 1 1.18 . . . . . . . B 48 THR HG23 . 30755 1 503 . 2 . 2 28 28 LYS H H 1 8.24 . . . . . . . B 49 LYS H . 30755 1 504 . 2 . 2 28 28 LYS HA H 1 4.35 . . . . . . . B 49 LYS HA . 30755 1 505 . 2 . 2 28 28 LYS HB2 H 1 1.79 . . . . . . . B 49 LYS HB2 . 30755 1 506 . 2 . 2 28 28 LYS HB3 H 1 1.70 . . . . . . . B 49 LYS HB3 . 30755 1 507 . 2 . 2 28 28 LYS HG2 H 1 1.43 . . . . . . . B 49 LYS HG2 . 30755 1 508 . 2 . 2 28 28 LYS HG3 H 1 1.43 . . . . . . . B 49 LYS HG3 . 30755 1 509 . 2 . 2 28 28 LYS HD2 H 1 1.64 . . . . . . . B 49 LYS HD2 . 30755 1 510 . 2 . 2 28 28 LYS HD3 H 1 1.64 . . . . . . . B 49 LYS HD3 . 30755 1 511 . 2 . 2 28 28 LYS HE2 H 1 2.91 . . . . . . . B 49 LYS HE2 . 30755 1 512 . 2 . 2 28 28 LYS HE3 H 1 2.91 . . . . . . . B 49 LYS HE3 . 30755 1 513 . 2 . 2 29 29 PRO HA H 1 4.48 . . . . . . . B 50 PRO HA . 30755 1 514 . 2 . 2 29 29 PRO HB2 H 1 2.28 . . . . . . . B 50 PRO HB2 . 30755 1 515 . 2 . 2 29 29 PRO HB3 H 1 2.04 . . . . . . . B 50 PRO HB3 . 30755 1 516 . 2 . 2 29 29 PRO HG2 H 1 1.98 . . . . . . . B 50 PRO HG2 . 30755 1 517 . 2 . 2 29 29 PRO HG3 H 1 2.00 . . . . . . . B 50 PRO HG3 . 30755 1 518 . 2 . 2 29 29 PRO HD2 H 1 3.74 . . . . . . . B 50 PRO HD2 . 30755 1 519 . 2 . 2 29 29 PRO HD3 H 1 3.59 . . . . . . . B 50 PRO HD3 . 30755 1 520 . 2 . 2 30 30 THR H H 1 7.76 . . . . . . . B 51 THR H . 30755 1 521 . 2 . 2 30 30 THR HA H 1 4.12 . . . . . . . B 51 THR HA . 30755 1 522 . 2 . 2 30 30 THR HB H 1 4.23 . . . . . . . B 51 THR HB . 30755 1 523 . 2 . 2 30 30 THR HG21 H 1 1.18 . . . . . . . B 51 THR HG21 . 30755 1 524 . 2 . 2 30 30 THR HG22 H 1 1.18 . . . . . . . B 51 THR HG22 . 30755 1 525 . 2 . 2 30 30 THR HG23 H 1 1.18 . . . . . . . B 51 THR HG23 . 30755 1 stop_ save_