data_30379 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30379 _Entry.Title ; NMR structure of Sodium/Calcium Exchanger 1 (NCX1) Two-helix Bundle (THB) domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-12-12 _Entry.Accession_date 2017-12-12 _Entry.Last_release_date 2018-01-02 _Entry.Original_release_date 2018-01-02 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _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 J. Yuan J. . . . 30379 2 C. Yuan C. . . . 30379 3 R. Bruschweiler R. . . . 30379 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'MEMBRANE PROTEIN' . 30379 'Two-helix Bundle' . 30379 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30379 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 258 30379 '15N chemical shifts' 62 30379 '1H chemical shifts' 380 30379 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 3 . . 2019-05-08 2017-12-12 update BMRB 'update entry citation' 30379 2 . . 2018-07-12 2017-12-12 update BMRB 'update entry citation' 30379 1 . . 2018-06-18 2017-12-12 original author 'original release' 30379 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6BV7 'BMRB Entry Tracking System' 30379 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30379 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 29898361 _Citation.Full_citation . _Citation.Title ; The Intracellular Loop of the Na+/Ca2+ Exchanger Contains a Novel Two-Helix Bundle Domain ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 57 _Citation.Journal_issue 34 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _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 5096 _Citation.Page_last 5104 _Citation.Year 2018 _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 J. Yuan J. . . . 30379 1 2 C. Yuan C. . . . 30379 1 3 M. Xie M. . . . 30379 1 4 L. Yu L. . . . 30379 1 5 L. Bruschweiler-Li L. . . . 30379 1 6 R. Bruschweiler R. . . . 30379 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30379 _Assembly.ID 1 _Assembly.Name 'Sodium/calcium exchanger 1' _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 entity_1 1 $entity_1 A A yes . . . . . . 30379 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30379 _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 ; SNAVLEVDERDQDDEEARRE MARILKELKQKHPEKEIEQL IELANYQVLSQQQKSRA ; _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 57 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'residues 306-359' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6788.544 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Na(+)/Ca(2+)-exchange protein 1' na 30379 1 'Solute carrier family 8 member 1' na 30379 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 271 SER . 30379 1 2 272 ASN . 30379 1 3 273 ALA . 30379 1 4 274 VAL . 30379 1 5 275 LEU . 30379 1 6 276 GLU . 30379 1 7 277 VAL . 30379 1 8 278 ASP . 30379 1 9 279 GLU . 30379 1 10 280 ARG . 30379 1 11 281 ASP . 30379 1 12 282 GLN . 30379 1 13 283 ASP . 30379 1 14 284 ASP . 30379 1 15 285 GLU . 30379 1 16 286 GLU . 30379 1 17 287 ALA . 30379 1 18 288 ARG . 30379 1 19 289 ARG . 30379 1 20 290 GLU . 30379 1 21 291 MET . 30379 1 22 292 ALA . 30379 1 23 293 ARG . 30379 1 24 294 ILE . 30379 1 25 295 LEU . 30379 1 26 296 LYS . 30379 1 27 297 GLU . 30379 1 28 298 LEU . 30379 1 29 299 LYS . 30379 1 30 300 GLN . 30379 1 31 301 LYS . 30379 1 32 302 HIS . 30379 1 33 303 PRO . 30379 1 34 304 GLU . 30379 1 35 305 LYS . 30379 1 36 306 GLU . 30379 1 37 307 ILE . 30379 1 38 308 GLU . 30379 1 39 309 GLN . 30379 1 40 310 LEU . 30379 1 41 311 ILE . 30379 1 42 312 GLU . 30379 1 43 313 LEU . 30379 1 44 314 ALA . 30379 1 45 315 ASN . 30379 1 46 316 TYR . 30379 1 47 317 GLN . 30379 1 48 318 VAL . 30379 1 49 319 LEU . 30379 1 50 320 SER . 30379 1 51 321 GLN . 30379 1 52 322 GLN . 30379 1 53 323 GLN . 30379 1 54 324 LYS . 30379 1 55 325 SER . 30379 1 56 326 ARG . 30379 1 57 327 ALA . 30379 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 . SER 1 1 30379 1 . ASN 2 2 30379 1 . ALA 3 3 30379 1 . VAL 4 4 30379 1 . LEU 5 5 30379 1 . GLU 6 6 30379 1 . VAL 7 7 30379 1 . ASP 8 8 30379 1 . GLU 9 9 30379 1 . ARG 10 10 30379 1 . ASP 11 11 30379 1 . GLN 12 12 30379 1 . ASP 13 13 30379 1 . ASP 14 14 30379 1 . GLU 15 15 30379 1 . GLU 16 16 30379 1 . ALA 17 17 30379 1 . ARG 18 18 30379 1 . ARG 19 19 30379 1 . GLU 20 20 30379 1 . MET 21 21 30379 1 . ALA 22 22 30379 1 . ARG 23 23 30379 1 . ILE 24 24 30379 1 . LEU 25 25 30379 1 . LYS 26 26 30379 1 . GLU 27 27 30379 1 . LEU 28 28 30379 1 . LYS 29 29 30379 1 . GLN 30 30 30379 1 . LYS 31 31 30379 1 . HIS 32 32 30379 1 . PRO 33 33 30379 1 . GLU 34 34 30379 1 . LYS 35 35 30379 1 . GLU 36 36 30379 1 . ILE 37 37 30379 1 . GLU 38 38 30379 1 . GLN 39 39 30379 1 . LEU 40 40 30379 1 . ILE 41 41 30379 1 . GLU 42 42 30379 1 . LEU 43 43 30379 1 . ALA 44 44 30379 1 . ASN 45 45 30379 1 . TYR 46 46 30379 1 . GLN 47 47 30379 1 . VAL 48 48 30379 1 . LEU 49 49 30379 1 . SER 50 50 30379 1 . GLN 51 51 30379 1 . GLN 52 52 30379 1 . GLN 53 53 30379 1 . LYS 54 54 30379 1 . SER 55 55 30379 1 . ARG 56 56 30379 1 . ALA 57 57 30379 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 30379 _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 . 9615 organism . 'Canis lupus familiaris' Dog . . Eukaryota Metazoa Canis lupus . . . . . . . . . . . 'SLC8A1, NCX1' . 30379 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 30379 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli K-12' . . 83333 . . BL21(DE3) . . plasmid . . pTBSG1 . . . 30379 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30379 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '300 uM [U-15N] NCX1_THB, 100 mM sodium chloride, 20 mM sodium phosphate, 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 NCX1_THB [U-15N] . . 1 $entity_1 . . 300 . . uM . . . . 30379 1 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 30379 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 30379 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30379 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '300 uM [U-13C; U-15N] NCX1 THB, 100 mM sodium chloride, 20 mM sodium phosphate, 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 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 30379 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 30379 2 3 'NCX1 THB' '[U-13C; U-15N]' . . 1 $entity_1 . . 300 . . uM . . . . 30379 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 30379 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '300 uM [U-13C; U-15N] NCX1 THB, 100 mM sodium chloride, 20 mM sodium phosphate, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 30379 3 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 30379 3 3 'NCX1 THB' '[U-13C; U-15N]' . . 1 $entity_1 . . 300 . . uM . . . . 30379 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 30379 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details '300 uM NCX1 THB, 100 mM sodium chloride, 20 mM sodium phosphate, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 30379 4 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 30379 4 3 'NCX1 THB' 'natural abundance' . . 1 $entity_1 . . 300 . . uM . . . . 30379 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 30379 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details '300 uM [U-10% 13C] NCX1 THB, 100 mM sodium chloride, 20 mM sodium phosphate, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 30379 5 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 30379 5 3 'NCX1 THB' '[U-10% 13C]' . . 1 $entity_1 . . 300 . . uM . . . . 30379 5 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 30379 _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 'ionic strength' 120 . mM 30379 1 pH 7.0 . pH 30379 1 pressure 1 . atm 30379 1 temperature 298 . K 30379 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30379 _Software.ID 1 _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' . . 30379 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 30379 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30379 _Software.ID 2 _Software.Type . _Software.Name NMRDraw _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' . . 30379 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 30379 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30379 _Software.ID 3 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 30379 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 30379 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30379 _Software.ID 4 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 30379 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 30379 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30379 _Software.ID 5 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 30379 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30379 5 'structure calculation' 30379 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 30379 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 30379 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _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 30379 _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 NMR_spectrometer_1 Bruker AvanceIII . 850 . . . 30379 1 2 NMR_spectrometer_2 Bruker AvanceIII . 700 . . . 30379 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 30379 _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 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30379 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30379 1 3 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30379 1 4 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30379 1 5 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30379 1 6 '3D HNCACO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30379 1 7 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30379 1 8 '3D HN(COCA)CB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30379 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30379 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30379 1 11 '3D H(CO)NH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30379 1 12 '3D (H)CC(CO)NH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30379 1 13 '2D aromatic TROSY-HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30379 1 14 '2D 1H-1H NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30379 1 15 '3D HNHB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30379 1 16 '2D DQF-COSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30379 1 17 '2D 10%-13C CT-HSQC' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30379 1 18 '3D 15N-edited NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30379 1 19 '3D 15N-edited CNH-NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30379 1 20 '3D 13C-edited NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30379 1 21 '3D 13C-edited CCH-NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30379 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 30379 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.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 0.000 external direct 0.25144953 . . . . . 30379 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 external direct 1.0 . . . . . 30379 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 30379 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _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 '2D 1H-15N HSQC' . . . 30379 1 2 '2D 1H-13C HSQC' . . . 30379 1 3 '3D HNCA' . . . 30379 1 4 '3D HN(CO)CA' . . . 30379 1 5 '3D HNCO' . . . 30379 1 6 '3D HNCACO' . . . 30379 1 7 '3D HNCACB' . . . 30379 1 8 '3D HN(COCA)CB' . . . 30379 1 9 '3D HCCH-TOCSY' . . . 30379 1 10 '3D HCCH-TOCSY' . . . 30379 1 11 '3D H(CO)NH-TOCSY' . . . 30379 1 12 '3D (H)CC(CO)NH-TOCSY' . . . 30379 1 13 '2D aromatic TROSY-HSQC' . . . 30379 1 14 '2D 1H-1H NOESY' . . . 30379 1 15 '3D HNHB' . . . 30379 1 16 '2D DQF-COSY' . . . 30379 1 17 '2D 10%-13C CT-HSQC' . . . 30379 1 18 '3D 15N-edited NOESY' . . . 30379 1 19 '3D 15N-edited CNH-NOESY' . . . 30379 1 20 '3D 13C-edited NOESY' . . . 30379 1 21 '3D 13C-edited CCH-NOESY' . . . 30379 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 3 3 ALA H H 1 8.3530 . . 1 . . . . A 273 ALA H . 30379 1 2 . 1 1 3 3 ALA HA H 1 4.3080 . . 1 . . . . A 273 ALA HA . 30379 1 3 . 1 1 3 3 ALA HB1 H 1 1.3580 . . 1 . . . . A 273 ALA HB1 . 30379 1 4 . 1 1 3 3 ALA HB2 H 1 1.3580 . . 1 . . . . A 273 ALA HB2 . 30379 1 5 . 1 1 3 3 ALA HB3 H 1 1.3580 . . 1 . . . . A 273 ALA HB3 . 30379 1 6 . 1 1 3 3 ALA C C 13 177.4480 . . 1 . . . . A 273 ALA C . 30379 1 7 . 1 1 3 3 ALA CA C 13 52.6970 . . 1 . . . . A 273 ALA CA . 30379 1 8 . 1 1 3 3 ALA CB C 13 19.1600 . . 1 . . . . A 273 ALA CB . 30379 1 9 . 1 1 3 3 ALA N N 15 124.6900 . . 1 . . . . A 273 ALA N . 30379 1 10 . 1 1 4 4 VAL H H 1 8.1210 . . 1 . . . . A 274 VAL H . 30379 1 11 . 1 1 4 4 VAL HA H 1 4.0590 . . 1 . . . . A 274 VAL HA . 30379 1 12 . 1 1 4 4 VAL HB H 1 2.0450 . . 1 . . . . A 274 VAL HB . 30379 1 13 . 1 1 4 4 VAL HG11 H 1 0.9510 . . 2 . . . . A 274 VAL HG11 . 30379 1 14 . 1 1 4 4 VAL HG12 H 1 0.9510 . . 2 . . . . A 274 VAL HG12 . 30379 1 15 . 1 1 4 4 VAL HG13 H 1 0.9510 . . 2 . . . . A 274 VAL HG13 . 30379 1 16 . 1 1 4 4 VAL HG21 H 1 0.9350 . . 2 . . . . A 274 VAL HG21 . 30379 1 17 . 1 1 4 4 VAL HG22 H 1 0.9350 . . 2 . . . . A 274 VAL HG22 . 30379 1 18 . 1 1 4 4 VAL HG23 H 1 0.9350 . . 2 . . . . A 274 VAL HG23 . 30379 1 19 . 1 1 4 4 VAL C C 13 175.9400 . . 1 . . . . A 274 VAL C . 30379 1 20 . 1 1 4 4 VAL CA C 13 62.3970 . . 1 . . . . A 274 VAL CA . 30379 1 21 . 1 1 4 4 VAL CB C 13 32.6110 . . 1 . . . . A 274 VAL CB . 30379 1 22 . 1 1 4 4 VAL CG1 C 13 21.1160 . . 2 . . . . A 274 VAL CG1 . 30379 1 23 . 1 1 4 4 VAL CG2 C 13 20.5780 . . 2 . . . . A 274 VAL CG2 . 30379 1 24 . 1 1 4 4 VAL N N 15 119.8130 . . 1 . . . . A 274 VAL N . 30379 1 25 . 1 1 5 5 LEU H H 1 8.2730 . . 1 . . . . A 275 LEU H . 30379 1 26 . 1 1 5 5 LEU HA H 1 4.3700 . . 1 . . . . A 275 LEU HA . 30379 1 27 . 1 1 5 5 LEU HB2 H 1 1.6090 . . 2 . . . . A 275 LEU HB2 . 30379 1 28 . 1 1 5 5 LEU HB3 H 1 1.5660 . . 2 . . . . A 275 LEU HB3 . 30379 1 29 . 1 1 5 5 LEU HG H 1 1.6390 . . 1 . . . . A 275 LEU HG . 30379 1 30 . 1 1 5 5 LEU HD11 H 1 0.9180 . . 2 . . . . A 275 LEU HD11 . 30379 1 31 . 1 1 5 5 LEU HD12 H 1 0.9180 . . 2 . . . . A 275 LEU HD12 . 30379 1 32 . 1 1 5 5 LEU HD13 H 1 0.9180 . . 2 . . . . A 275 LEU HD13 . 30379 1 33 . 1 1 5 5 LEU HD21 H 1 0.8580 . . 2 . . . . A 275 LEU HD21 . 30379 1 34 . 1 1 5 5 LEU HD22 H 1 0.8580 . . 2 . . . . A 275 LEU HD22 . 30379 1 35 . 1 1 5 5 LEU HD23 H 1 0.8580 . . 2 . . . . A 275 LEU HD23 . 30379 1 36 . 1 1 5 5 LEU C C 13 177.0440 . . 1 . . . . A 275 LEU C . 30379 1 37 . 1 1 5 5 LEU CA C 13 54.9780 . . 1 . . . . A 275 LEU CA . 30379 1 38 . 1 1 5 5 LEU CB C 13 42.5670 . . 1 . . . . A 275 LEU CB . 30379 1 39 . 1 1 5 5 LEU CG C 13 27.0450 . . 1 . . . . A 275 LEU CG . 30379 1 40 . 1 1 5 5 LEU CD1 C 13 24.7800 . . 2 . . . . A 275 LEU CD1 . 30379 1 41 . 1 1 5 5 LEU CD2 C 13 23.5150 . . 2 . . . . A 275 LEU CD2 . 30379 1 42 . 1 1 5 5 LEU N N 15 126.0530 . . 1 . . . . A 275 LEU N . 30379 1 43 . 1 1 6 6 GLU H H 1 8.4030 . . 1 . . . . A 276 GLU H . 30379 1 44 . 1 1 6 6 GLU HA H 1 4.3130 . . 1 . . . . A 276 GLU HA . 30379 1 45 . 1 1 6 6 GLU HB2 H 1 1.9210 . . 2 . . . . A 276 GLU HB2 . 30379 1 46 . 1 1 6 6 GLU HB3 H 1 2.0290 . . 2 . . . . A 276 GLU HB3 . 30379 1 47 . 1 1 6 6 GLU HG2 H 1 2.2440 . . 2 . . . . A 276 GLU HG2 . 30379 1 48 . 1 1 6 6 GLU C C 13 176.2740 . . 1 . . . . A 276 GLU C . 30379 1 49 . 1 1 6 6 GLU CA C 13 56.4890 . . 1 . . . . A 276 GLU CA . 30379 1 50 . 1 1 6 6 GLU CB C 13 30.1640 . . 1 . . . . A 276 GLU CB . 30379 1 51 . 1 1 6 6 GLU CG C 13 36.3080 . . 1 . . . . A 276 GLU CG . 30379 1 52 . 1 1 6 6 GLU N N 15 122.6300 . . 1 . . . . A 276 GLU N . 30379 1 53 . 1 1 7 7 VAL H H 1 8.1290 . . 1 . . . . A 277 VAL H . 30379 1 54 . 1 1 7 7 VAL HA H 1 4.1020 . . 1 . . . . A 277 VAL HA . 30379 1 55 . 1 1 7 7 VAL HB H 1 2.0590 . . 1 . . . . A 277 VAL HB . 30379 1 56 . 1 1 7 7 VAL HG11 H 1 0.9150 . . 2 . . . . A 277 VAL HG11 . 30379 1 57 . 1 1 7 7 VAL HG12 H 1 0.9150 . . 2 . . . . A 277 VAL HG12 . 30379 1 58 . 1 1 7 7 VAL HG13 H 1 0.9150 . . 2 . . . . A 277 VAL HG13 . 30379 1 59 . 1 1 7 7 VAL HG21 H 1 0.9130 . . 2 . . . . A 277 VAL HG21 . 30379 1 60 . 1 1 7 7 VAL HG22 H 1 0.9130 . . 2 . . . . A 277 VAL HG22 . 30379 1 61 . 1 1 7 7 VAL HG23 H 1 0.9130 . . 2 . . . . A 277 VAL HG23 . 30379 1 62 . 1 1 7 7 VAL C C 13 175.5810 . . 1 . . . . A 277 VAL C . 30379 1 63 . 1 1 7 7 VAL CA C 13 62.2450 . . 1 . . . . A 277 VAL CA . 30379 1 64 . 1 1 7 7 VAL CB C 13 33.0700 . . 1 . . . . A 277 VAL CB . 30379 1 65 . 1 1 7 7 VAL CG1 C 13 21.1290 . . 2 . . . . A 277 VAL CG1 . 30379 1 66 . 1 1 7 7 VAL CG2 C 13 20.3280 . . 2 . . . . A 277 VAL CG2 . 30379 1 67 . 1 1 7 7 VAL N N 15 120.5890 . . 1 . . . . A 277 VAL N . 30379 1 68 . 1 1 8 8 ASP H H 1 8.4500 . . 1 . . . . A 278 ASP H . 30379 1 69 . 1 1 8 8 ASP HA H 1 4.6110 . . 1 . . . . A 278 ASP HA . 30379 1 70 . 1 1 8 8 ASP HB2 H 1 2.7540 . . 2 . . . . A 278 ASP HB2 . 30379 1 71 . 1 1 8 8 ASP HB3 H 1 2.6010 . . 2 . . . . A 278 ASP HB3 . 30379 1 72 . 1 1 8 8 ASP C C 13 176.3040 . . 1 . . . . A 278 ASP C . 30379 1 73 . 1 1 8 8 ASP CA C 13 54.2160 . . 1 . . . . A 278 ASP CA . 30379 1 74 . 1 1 8 8 ASP CB C 13 41.4470 . . 1 . . . . A 278 ASP CB . 30379 1 75 . 1 1 8 8 ASP N N 15 124.3270 . . 1 . . . . A 278 ASP N . 30379 1 76 . 1 1 9 9 GLU H H 1 8.4490 . . 1 . . . . A 279 GLU H . 30379 1 77 . 1 1 9 9 GLU HA H 1 4.2630 . . 1 . . . . A 279 GLU HA . 30379 1 78 . 1 1 9 9 GLU HB2 H 1 1.9350 . . 2 . . . . A 279 GLU HB2 . 30379 1 79 . 1 1 9 9 GLU HB3 H 1 2.0750 . . 2 . . . . A 279 GLU HB3 . 30379 1 80 . 1 1 9 9 GLU HG2 H 1 2.2430 . . 2 . . . . A 279 GLU HG2 . 30379 1 81 . 1 1 9 9 GLU C C 13 176.6080 . . 1 . . . . A 279 GLU C . 30379 1 82 . 1 1 9 9 GLU CA C 13 56.9130 . . 1 . . . . A 279 GLU CA . 30379 1 83 . 1 1 9 9 GLU CB C 13 30.0570 . . 1 . . . . A 279 GLU CB . 30379 1 84 . 1 1 9 9 GLU CG C 13 36.3480 . . 1 . . . . A 279 GLU CG . 30379 1 85 . 1 1 9 9 GLU N N 15 122.6660 . . 1 . . . . A 279 GLU N . 30379 1 86 . 1 1 10 10 ARG H H 1 8.3540 . . 1 . . . . A 280 ARG H . 30379 1 87 . 1 1 10 10 ARG HA H 1 4.3050 . . 1 . . . . A 280 ARG HA . 30379 1 88 . 1 1 10 10 ARG HB2 H 1 1.8280 . . 2 . . . . A 280 ARG HB2 . 30379 1 89 . 1 1 10 10 ARG HG2 H 1 1.6380 . . 2 . . . . A 280 ARG HG2 . 30379 1 90 . 1 1 10 10 ARG HD2 H 1 3.1980 . . 2 . . . . A 280 ARG HD2 . 30379 1 91 . 1 1 10 10 ARG C C 13 176.1450 . . 1 . . . . A 280 ARG C . 30379 1 92 . 1 1 10 10 ARG CA C 13 56.4640 . . 1 . . . . A 280 ARG CA . 30379 1 93 . 1 1 10 10 ARG CB C 13 30.6280 . . 1 . . . . A 280 ARG CB . 30379 1 94 . 1 1 10 10 ARG CG C 13 26.8650 . . 1 . . . . A 280 ARG CG . 30379 1 95 . 1 1 10 10 ARG CD C 13 43.3950 . . 1 . . . . A 280 ARG CD . 30379 1 96 . 1 1 10 10 ARG N N 15 121.3970 . . 1 . . . . A 280 ARG N . 30379 1 97 . 1 1 11 11 ASP H H 1 8.3830 . . 1 . . . . A 281 ASP H . 30379 1 98 . 1 1 11 11 ASP HA H 1 4.5770 . . 1 . . . . A 281 ASP HA . 30379 1 99 . 1 1 11 11 ASP HB2 H 1 2.6500 . . 2 . . . . A 281 ASP HB2 . 30379 1 100 . 1 1 11 11 ASP HB3 H 1 2.7320 . . 2 . . . . A 281 ASP HB3 . 30379 1 101 . 1 1 11 11 ASP C C 13 176.5340 . . 1 . . . . A 281 ASP C . 30379 1 102 . 1 1 11 11 ASP CA C 13 54.7110 . . 1 . . . . A 281 ASP CA . 30379 1 103 . 1 1 11 11 ASP CB C 13 41.1580 . . 1 . . . . A 281 ASP CB . 30379 1 104 . 1 1 11 11 ASP N N 15 121.2670 . . 1 . . . . A 281 ASP N . 30379 1 105 . 1 1 12 12 GLN H H 1 8.3230 . . 1 . . . . A 282 GLN H . 30379 1 106 . 1 1 12 12 GLN HA H 1 4.2760 . . 1 . . . . A 282 GLN HA . 30379 1 107 . 1 1 12 12 GLN HB2 H 1 1.9970 . . 2 . . . . A 282 GLN HB2 . 30379 1 108 . 1 1 12 12 GLN HB3 H 1 2.1400 . . 2 . . . . A 282 GLN HB3 . 30379 1 109 . 1 1 12 12 GLN HG2 H 1 2.3640 . . 2 . . . . A 282 GLN HG2 . 30379 1 110 . 1 1 12 12 GLN HE21 H 1 7.6170 . . 2 . . . . A 282 GLN HE21 . 30379 1 111 . 1 1 12 12 GLN HE22 H 1 6.8320 . . 2 . . . . A 282 GLN HE22 . 30379 1 112 . 1 1 12 12 GLN C C 13 176.1600 . . 1 . . . . A 282 GLN C . 30379 1 113 . 1 1 12 12 GLN CA C 13 56.4500 . . 1 . . . . A 282 GLN CA . 30379 1 114 . 1 1 12 12 GLN CB C 13 29.3870 . . 1 . . . . A 282 GLN CB . 30379 1 115 . 1 1 12 12 GLN CG C 13 33.7960 . . 1 . . . . A 282 GLN CG . 30379 1 116 . 1 1 12 12 GLN CD C 13 180.2830 . . 1 . . . . A 282 GLN CD . 30379 1 117 . 1 1 12 12 GLN N N 15 120.6400 . . 1 . . . . A 282 GLN N . 30379 1 118 . 1 1 12 12 GLN NE2 N 15 112.5290 . . 1 . . . . A 282 GLN NE2 . 30379 1 119 . 1 1 13 13 ASP H H 1 8.4160 . . 1 . . . . A 283 ASP H . 30379 1 120 . 1 1 13 13 ASP HA H 1 4.5810 . . 1 . . . . A 283 ASP HA . 30379 1 121 . 1 1 13 13 ASP HB2 H 1 2.7070 . . 2 . . . . A 283 ASP HB2 . 30379 1 122 . 1 1 13 13 ASP C C 13 176.5830 . . 1 . . . . A 283 ASP C . 30379 1 123 . 1 1 13 13 ASP CA C 13 54.9540 . . 1 . . . . A 283 ASP CA . 30379 1 124 . 1 1 13 13 ASP CB C 13 41.1460 . . 1 . . . . A 283 ASP CB . 30379 1 125 . 1 1 13 13 ASP N N 15 121.7010 . . 1 . . . . A 283 ASP N . 30379 1 126 . 1 1 14 14 ASP H H 1 8.2900 . . 1 . . . . A 284 ASP H . 30379 1 127 . 1 1 14 14 ASP HA H 1 4.5910 . . 1 . . . . A 284 ASP HA . 30379 1 128 . 1 1 14 14 ASP HB2 H 1 2.7480 . . 2 . . . . A 284 ASP HB2 . 30379 1 129 . 1 1 14 14 ASP C C 13 177.1400 . . 1 . . . . A 284 ASP C . 30379 1 130 . 1 1 14 14 ASP CA C 13 55.0270 . . 1 . . . . A 284 ASP CA . 30379 1 131 . 1 1 14 14 ASP CB C 13 41.2560 . . 1 . . . . A 284 ASP CB . 30379 1 132 . 1 1 14 14 ASP N N 15 121.7080 . . 1 . . . . A 284 ASP N . 30379 1 133 . 1 1 15 15 GLU H H 1 8.3690 . . 1 . . . . A 285 GLU H . 30379 1 134 . 1 1 15 15 GLU HA H 1 4.0400 . . 1 . . . . A 285 GLU HA . 30379 1 135 . 1 1 15 15 GLU HB2 H 1 2.0950 . . 2 . . . . A 285 GLU HB2 . 30379 1 136 . 1 1 15 15 GLU HG2 H 1 2.3150 . . 2 . . . . A 285 GLU HG2 . 30379 1 137 . 1 1 15 15 GLU C C 13 178.6970 . . 1 . . . . A 285 GLU C . 30379 1 138 . 1 1 15 15 GLU CA C 13 59.2220 . . 1 . . . . A 285 GLU CA . 30379 1 139 . 1 1 15 15 GLU CB C 13 29.5160 . . 1 . . . . A 285 GLU CB . 30379 1 140 . 1 1 15 15 GLU CG C 13 36.0640 . . 1 . . . . A 285 GLU CG . 30379 1 141 . 1 1 15 15 GLU N N 15 121.8210 . . 1 . . . . A 285 GLU N . 30379 1 142 . 1 1 16 16 GLU H H 1 8.3820 . . 1 . . . . A 286 GLU H . 30379 1 143 . 1 1 16 16 GLU HA H 1 4.0340 . . 1 . . . . A 286 GLU HA . 30379 1 144 . 1 1 16 16 GLU HB2 H 1 2.0840 . . 2 . . . . A 286 GLU HB2 . 30379 1 145 . 1 1 16 16 GLU HG2 H 1 2.3310 . . 2 . . . . A 286 GLU HG2 . 30379 1 146 . 1 1 16 16 GLU C C 13 178.7990 . . 1 . . . . A 286 GLU C . 30379 1 147 . 1 1 16 16 GLU CA C 13 59.3910 . . 1 . . . . A 286 GLU CA . 30379 1 148 . 1 1 16 16 GLU CB C 13 28.9440 . . 1 . . . . A 286 GLU CB . 30379 1 149 . 1 1 16 16 GLU CG C 13 36.1320 . . 1 . . . . A 286 GLU CG . 30379 1 150 . 1 1 16 16 GLU N N 15 120.4860 . . 1 . . . . A 286 GLU N . 30379 1 151 . 1 1 17 17 ALA H H 1 8.1330 . . 1 . . . . A 287 ALA H . 30379 1 152 . 1 1 17 17 ALA HA H 1 4.1800 . . 1 . . . . A 287 ALA HA . 30379 1 153 . 1 1 17 17 ALA HB1 H 1 1.4850 . . 1 . . . . A 287 ALA HB1 . 30379 1 154 . 1 1 17 17 ALA HB2 H 1 1.4850 . . 1 . . . . A 287 ALA HB2 . 30379 1 155 . 1 1 17 17 ALA HB3 H 1 1.4850 . . 1 . . . . A 287 ALA HB3 . 30379 1 156 . 1 1 17 17 ALA C C 13 180.7310 . . 1 . . . . A 287 ALA C . 30379 1 157 . 1 1 17 17 ALA CA C 13 55.0750 . . 1 . . . . A 287 ALA CA . 30379 1 158 . 1 1 17 17 ALA CB C 13 18.0090 . . 1 . . . . A 287 ALA CB . 30379 1 159 . 1 1 17 17 ALA N N 15 122.5830 . . 1 . . . . A 287 ALA N . 30379 1 160 . 1 1 18 18 ARG H H 1 8.0290 . . 1 . . . . A 288 ARG H . 30379 1 161 . 1 1 18 18 ARG HA H 1 4.0690 . . 1 . . . . A 288 ARG HA . 30379 1 162 . 1 1 18 18 ARG HB2 H 1 2.0440 . . 2 . . . . A 288 ARG HB2 . 30379 1 163 . 1 1 18 18 ARG HB3 H 1 1.9530 . . 2 . . . . A 288 ARG HB3 . 30379 1 164 . 1 1 18 18 ARG HG2 H 1 1.8720 . . 2 . . . . A 288 ARG HG2 . 30379 1 165 . 1 1 18 18 ARG HG3 H 1 1.6380 . . 2 . . . . A 288 ARG HG3 . 30379 1 166 . 1 1 18 18 ARG HD2 H 1 3.2120 . . 2 . . . . A 288 ARG HD2 . 30379 1 167 . 1 1 18 18 ARG C C 13 179.6420 . . 1 . . . . A 288 ARG C . 30379 1 168 . 1 1 18 18 ARG CA C 13 59.5210 . . 1 . . . . A 288 ARG CA . 30379 1 169 . 1 1 18 18 ARG CB C 13 30.2150 . . 1 . . . . A 288 ARG CB . 30379 1 170 . 1 1 18 18 ARG CG C 13 27.9530 . . 1 . . . . A 288 ARG CG . 30379 1 171 . 1 1 18 18 ARG CD C 13 43.5520 . . 1 . . . . A 288 ARG CD . 30379 1 172 . 1 1 18 18 ARG N N 15 118.5660 . . 1 . . . . A 288 ARG N . 30379 1 173 . 1 1 19 19 ARG H H 1 8.2050 . . 1 . . . . A 289 ARG H . 30379 1 174 . 1 1 19 19 ARG HA H 1 4.0910 . . 1 . . . . A 289 ARG HA . 30379 1 175 . 1 1 19 19 ARG HB2 H 1 1.9560 . . 2 . . . . A 289 ARG HB2 . 30379 1 176 . 1 1 19 19 ARG HG2 H 1 1.8470 . . 2 . . . . A 289 ARG HG2 . 30379 1 177 . 1 1 19 19 ARG HG3 H 1 1.6540 . . 2 . . . . A 289 ARG HG3 . 30379 1 178 . 1 1 19 19 ARG HD2 H 1 3.2440 . . 2 . . . . A 289 ARG HD2 . 30379 1 179 . 1 1 19 19 ARG C C 13 179.4130 . . 1 . . . . A 289 ARG C . 30379 1 180 . 1 1 19 19 ARG CA C 13 59.5780 . . 1 . . . . A 289 ARG CA . 30379 1 181 . 1 1 19 19 ARG CB C 13 30.3140 . . 1 . . . . A 289 ARG CB . 30379 1 182 . 1 1 19 19 ARG CG C 13 27.9070 . . 1 . . . . A 289 ARG CG . 30379 1 183 . 1 1 19 19 ARG CD C 13 43.7010 . . 1 . . . . A 289 ARG CD . 30379 1 184 . 1 1 19 19 ARG N N 15 121.3720 . . 1 . . . . A 289 ARG N . 30379 1 185 . 1 1 20 20 GLU H H 1 8.3150 . . 1 . . . . A 290 GLU H . 30379 1 186 . 1 1 20 20 GLU HA H 1 4.3630 . . 1 . . . . A 290 GLU HA . 30379 1 187 . 1 1 20 20 GLU HB2 H 1 2.1500 . . 2 . . . . A 290 GLU HB2 . 30379 1 188 . 1 1 20 20 GLU HB3 H 1 2.0380 . . 2 . . . . A 290 GLU HB3 . 30379 1 189 . 1 1 20 20 GLU HG2 H 1 2.3380 . . 2 . . . . A 290 GLU HG2 . 30379 1 190 . 1 1 20 20 GLU C C 13 178.2200 . . 1 . . . . A 290 GLU C . 30379 1 191 . 1 1 20 20 GLU CA C 13 58.6560 . . 1 . . . . A 290 GLU CA . 30379 1 192 . 1 1 20 20 GLU CB C 13 29.3330 . . 1 . . . . A 290 GLU CB . 30379 1 193 . 1 1 20 20 GLU CG C 13 35.5600 . . 1 . . . . A 290 GLU CG . 30379 1 194 . 1 1 20 20 GLU N N 15 121.8600 . . 1 . . . . A 290 GLU N . 30379 1 195 . 1 1 21 21 MET H H 1 8.2280 . . 1 . . . . A 291 MET H . 30379 1 196 . 1 1 21 21 MET HA H 1 4.1610 . . 1 . . . . A 291 MET HA . 30379 1 197 . 1 1 21 21 MET HB2 H 1 2.1790 . . 2 . . . . A 291 MET HB2 . 30379 1 198 . 1 1 21 21 MET HG2 H 1 2.6200 . . 2 . . . . A 291 MET HG2 . 30379 1 199 . 1 1 21 21 MET HG3 H 1 2.5480 . . 2 . . . . A 291 MET HG3 . 30379 1 200 . 1 1 21 21 MET HE1 H 1 2.0640 . . 1 . . . . A 291 MET HE1 . 30379 1 201 . 1 1 21 21 MET HE2 H 1 2.0640 . . 1 . . . . A 291 MET HE2 . 30379 1 202 . 1 1 21 21 MET HE3 H 1 2.0640 . . 1 . . . . A 291 MET HE3 . 30379 1 203 . 1 1 21 21 MET C C 13 177.5760 . . 1 . . . . A 291 MET C . 30379 1 204 . 1 1 21 21 MET CA C 13 58.1470 . . 1 . . . . A 291 MET CA . 30379 1 205 . 1 1 21 21 MET CB C 13 31.1600 . . 1 . . . . A 291 MET CB . 30379 1 206 . 1 1 21 21 MET CG C 13 32.2700 . . 1 . . . . A 291 MET CG . 30379 1 207 . 1 1 21 21 MET CE C 13 17.4600 . . 1 . . . . A 291 MET CE . 30379 1 208 . 1 1 21 21 MET N N 15 118.9640 . . 1 . . . . A 291 MET N . 30379 1 209 . 1 1 22 22 ALA H H 1 7.8730 . . 1 . . . . A 292 ALA H . 30379 1 210 . 1 1 22 22 ALA HA H 1 4.0730 . . 1 . . . . A 292 ALA HA . 30379 1 211 . 1 1 22 22 ALA HB1 H 1 1.4980 . . 1 . . . . A 292 ALA HB1 . 30379 1 212 . 1 1 22 22 ALA HB2 H 1 1.4980 . . 1 . . . . A 292 ALA HB2 . 30379 1 213 . 1 1 22 22 ALA HB3 H 1 1.4980 . . 1 . . . . A 292 ALA HB3 . 30379 1 214 . 1 1 22 22 ALA C C 13 180.4660 . . 1 . . . . A 292 ALA C . 30379 1 215 . 1 1 22 22 ALA CA C 13 55.1580 . . 1 . . . . A 292 ALA CA . 30379 1 216 . 1 1 22 22 ALA CB C 13 17.8380 . . 1 . . . . A 292 ALA CB . 30379 1 217 . 1 1 22 22 ALA N N 15 119.7330 . . 1 . . . . A 292 ALA N . 30379 1 218 . 1 1 23 23 ARG H H 1 7.8530 . . 1 . . . . A 293 ARG H . 30379 1 219 . 1 1 23 23 ARG HA H 1 4.0250 . . 1 . . . . A 293 ARG HA . 30379 1 220 . 1 1 23 23 ARG HB2 H 1 2.1290 . . 2 . . . . A 293 ARG HB2 . 30379 1 221 . 1 1 23 23 ARG HB3 H 1 1.9820 . . 2 . . . . A 293 ARG HB3 . 30379 1 222 . 1 1 23 23 ARG HG2 H 1 1.7470 . . 2 . . . . A 293 ARG HG2 . 30379 1 223 . 1 1 23 23 ARG HG3 H 1 1.5670 . . 2 . . . . A 293 ARG HG3 . 30379 1 224 . 1 1 23 23 ARG HD2 H 1 3.3340 . . 2 . . . . A 293 ARG HD2 . 30379 1 225 . 1 1 23 23 ARG HD3 H 1 3.1310 . . 2 . . . . A 293 ARG HD3 . 30379 1 226 . 1 1 23 23 ARG C C 13 179.0410 . . 1 . . . . A 293 ARG C . 30379 1 227 . 1 1 23 23 ARG CA C 13 59.7380 . . 1 . . . . A 293 ARG CA . 30379 1 228 . 1 1 23 23 ARG CB C 13 29.8860 . . 1 . . . . A 293 ARG CB . 30379 1 229 . 1 1 23 23 ARG CG C 13 27.1920 . . 1 . . . . A 293 ARG CG . 30379 1 230 . 1 1 23 23 ARG CD C 13 42.9050 . . 1 . . . . A 293 ARG CD . 30379 1 231 . 1 1 23 23 ARG N N 15 120.2430 . . 1 . . . . A 293 ARG N . 30379 1 232 . 1 1 24 24 ILE H H 1 8.3860 . . 1 . . . . A 294 ILE H . 30379 1 233 . 1 1 24 24 ILE HA H 1 3.6980 . . 1 . . . . A 294 ILE HA . 30379 1 234 . 1 1 24 24 ILE HB H 1 1.9420 . . 1 . . . . A 294 ILE HB . 30379 1 235 . 1 1 24 24 ILE HG12 H 1 1.7540 . . 2 . . . . A 294 ILE HG12 . 30379 1 236 . 1 1 24 24 ILE HG13 H 1 1.1020 . . 2 . . . . A 294 ILE HG13 . 30379 1 237 . 1 1 24 24 ILE HG21 H 1 0.9460 . . 1 . . . . A 294 ILE HG21 . 30379 1 238 . 1 1 24 24 ILE HG22 H 1 0.9460 . . 1 . . . . A 294 ILE HG22 . 30379 1 239 . 1 1 24 24 ILE HG23 H 1 0.9460 . . 1 . . . . A 294 ILE HG23 . 30379 1 240 . 1 1 24 24 ILE HD11 H 1 0.8260 . . 1 . . . . A 294 ILE HD11 . 30379 1 241 . 1 1 24 24 ILE HD12 H 1 0.8260 . . 1 . . . . A 294 ILE HD12 . 30379 1 242 . 1 1 24 24 ILE HD13 H 1 0.8260 . . 1 . . . . A 294 ILE HD13 . 30379 1 243 . 1 1 24 24 ILE C C 13 178.5910 . . 1 . . . . A 294 ILE C . 30379 1 244 . 1 1 24 24 ILE CA C 13 65.1510 . . 1 . . . . A 294 ILE CA . 30379 1 245 . 1 1 24 24 ILE CB C 13 38.2870 . . 1 . . . . A 294 ILE CB . 30379 1 246 . 1 1 24 24 ILE CG1 C 13 29.3010 . . 1 . . . . A 294 ILE CG1 . 30379 1 247 . 1 1 24 24 ILE CG2 C 13 17.6360 . . 1 . . . . A 294 ILE CG2 . 30379 1 248 . 1 1 24 24 ILE CD1 C 13 13.8480 . . 1 . . . . A 294 ILE CD1 . 30379 1 249 . 1 1 24 24 ILE N N 15 121.5660 . . 1 . . . . A 294 ILE N . 30379 1 250 . 1 1 25 25 LEU H H 1 8.6760 . . 1 . . . . A 295 LEU H . 30379 1 251 . 1 1 25 25 LEU HA H 1 3.9760 . . 1 . . . . A 295 LEU HA . 30379 1 252 . 1 1 25 25 LEU HB2 H 1 1.7740 . . 2 . . . . A 295 LEU HB2 . 30379 1 253 . 1 1 25 25 LEU HB3 H 1 1.5760 . . 2 . . . . A 295 LEU HB3 . 30379 1 254 . 1 1 25 25 LEU HG H 1 1.6970 . . 1 . . . . A 295 LEU HG . 30379 1 255 . 1 1 25 25 LEU HD11 H 1 0.8430 . . 2 . . . . A 295 LEU HD11 . 30379 1 256 . 1 1 25 25 LEU HD12 H 1 0.8430 . . 2 . . . . A 295 LEU HD12 . 30379 1 257 . 1 1 25 25 LEU HD13 H 1 0.8430 . . 2 . . . . A 295 LEU HD13 . 30379 1 258 . 1 1 25 25 LEU HD21 H 1 0.8100 . . 2 . . . . A 295 LEU HD21 . 30379 1 259 . 1 1 25 25 LEU HD22 H 1 0.8100 . . 2 . . . . A 295 LEU HD22 . 30379 1 260 . 1 1 25 25 LEU HD23 H 1 0.8100 . . 2 . . . . A 295 LEU HD23 . 30379 1 261 . 1 1 25 25 LEU C C 13 178.7130 . . 1 . . . . A 295 LEU C . 30379 1 262 . 1 1 25 25 LEU CA C 13 58.5470 . . 1 . . . . A 295 LEU CA . 30379 1 263 . 1 1 25 25 LEU CB C 13 41.9530 . . 1 . . . . A 295 LEU CB . 30379 1 264 . 1 1 25 25 LEU CG C 13 27.0320 . . 1 . . . . A 295 LEU CG . 30379 1 265 . 1 1 25 25 LEU CD1 C 13 25.0770 . . 2 . . . . A 295 LEU CD1 . 30379 1 266 . 1 1 25 25 LEU CD2 C 13 24.4990 . . 2 . . . . A 295 LEU CD2 . 30379 1 267 . 1 1 25 25 LEU N N 15 120.2890 . . 1 . . . . A 295 LEU N . 30379 1 268 . 1 1 26 26 LYS H H 1 7.7240 . . 1 . . . . A 296 LYS H . 30379 1 269 . 1 1 26 26 LYS HA H 1 3.9590 . . 1 . . . . A 296 LYS HA . 30379 1 270 . 1 1 26 26 LYS HB2 H 1 1.9860 . . 2 . . . . A 296 LYS HB2 . 30379 1 271 . 1 1 26 26 LYS HB3 H 1 1.9560 . . 2 . . . . A 296 LYS HB3 . 30379 1 272 . 1 1 26 26 LYS HG2 H 1 1.5760 . . 2 . . . . A 296 LYS HG2 . 30379 1 273 . 1 1 26 26 LYS HG3 H 1 1.3850 . . 2 . . . . A 296 LYS HG3 . 30379 1 274 . 1 1 26 26 LYS HD2 H 1 1.7020 . . 2 . . . . A 296 LYS HD2 . 30379 1 275 . 1 1 26 26 LYS HE2 H 1 2.9790 . . 2 . . . . A 296 LYS HE2 . 30379 1 276 . 1 1 26 26 LYS C C 13 179.4130 . . 1 . . . . A 296 LYS C . 30379 1 277 . 1 1 26 26 LYS CA C 13 60.0130 . . 1 . . . . A 296 LYS CA . 30379 1 278 . 1 1 26 26 LYS CB C 13 32.2850 . . 1 . . . . A 296 LYS CB . 30379 1 279 . 1 1 26 26 LYS CG C 13 25.1220 . . 1 . . . . A 296 LYS CG . 30379 1 280 . 1 1 26 26 LYS CD C 13 29.5060 . . 1 . . . . A 296 LYS CD . 30379 1 281 . 1 1 26 26 LYS CE C 13 42.1640 . . 1 . . . . A 296 LYS CE . 30379 1 282 . 1 1 26 26 LYS N N 15 118.8490 . . 1 . . . . A 296 LYS N . 30379 1 283 . 1 1 27 27 GLU H H 1 7.8230 . . 1 . . . . A 297 GLU H . 30379 1 284 . 1 1 27 27 GLU HA H 1 4.0930 . . 1 . . . . A 297 GLU HA . 30379 1 285 . 1 1 27 27 GLU HB2 H 1 2.2200 . . 2 . . . . A 297 GLU HB2 . 30379 1 286 . 1 1 27 27 GLU HB3 H 1 2.1220 . . 2 . . . . A 297 GLU HB3 . 30379 1 287 . 1 1 27 27 GLU HG2 H 1 2.4610 . . 2 . . . . A 297 GLU HG2 . 30379 1 288 . 1 1 27 27 GLU HG3 H 1 2.2330 . . 2 . . . . A 297 GLU HG3 . 30379 1 289 . 1 1 27 27 GLU C C 13 179.9600 . . 1 . . . . A 297 GLU C . 30379 1 290 . 1 1 27 27 GLU CA C 13 59.2920 . . 1 . . . . A 297 GLU CA . 30379 1 291 . 1 1 27 27 GLU CB C 13 29.5520 . . 1 . . . . A 297 GLU CB . 30379 1 292 . 1 1 27 27 GLU CG C 13 36.4560 . . 1 . . . . A 297 GLU CG . 30379 1 293 . 1 1 27 27 GLU N N 15 119.7460 . . 1 . . . . A 297 GLU N . 30379 1 294 . 1 1 28 28 LEU H H 1 8.8230 . . 1 . . . . A 298 LEU H . 30379 1 295 . 1 1 28 28 LEU HA H 1 4.1380 . . 1 . . . . A 298 LEU HA . 30379 1 296 . 1 1 28 28 LEU HB2 H 1 2.0970 . . 2 . . . . A 298 LEU HB2 . 30379 1 297 . 1 1 28 28 LEU HB3 H 1 1.4880 . . 2 . . . . A 298 LEU HB3 . 30379 1 298 . 1 1 28 28 LEU HG H 1 2.0290 . . 1 . . . . A 298 LEU HG . 30379 1 299 . 1 1 28 28 LEU HD11 H 1 0.8980 . . 2 . . . . A 298 LEU HD11 . 30379 1 300 . 1 1 28 28 LEU HD12 H 1 0.8980 . . 2 . . . . A 298 LEU HD12 . 30379 1 301 . 1 1 28 28 LEU HD13 H 1 0.8980 . . 2 . . . . A 298 LEU HD13 . 30379 1 302 . 1 1 28 28 LEU HD21 H 1 1.0200 . . 2 . . . . A 298 LEU HD21 . 30379 1 303 . 1 1 28 28 LEU HD22 H 1 1.0200 . . 2 . . . . A 298 LEU HD22 . 30379 1 304 . 1 1 28 28 LEU HD23 H 1 1.0200 . . 2 . . . . A 298 LEU HD23 . 30379 1 305 . 1 1 28 28 LEU C C 13 178.6990 . . 1 . . . . A 298 LEU C . 30379 1 306 . 1 1 28 28 LEU CA C 13 57.9890 . . 1 . . . . A 298 LEU CA . 30379 1 307 . 1 1 28 28 LEU CB C 13 42.9970 . . 1 . . . . A 298 LEU CB . 30379 1 308 . 1 1 28 28 LEU CG C 13 26.9560 . . 1 . . . . A 298 LEU CG . 30379 1 309 . 1 1 28 28 LEU CD1 C 13 27.1680 . . 2 . . . . A 298 LEU CD1 . 30379 1 310 . 1 1 28 28 LEU CD2 C 13 23.0760 . . 2 . . . . A 298 LEU CD2 . 30379 1 311 . 1 1 28 28 LEU N N 15 120.5400 . . 1 . . . . A 298 LEU N . 30379 1 312 . 1 1 29 29 LYS H H 1 8.4000 . . 1 . . . . A 299 LYS H . 30379 1 313 . 1 1 29 29 LYS HA H 1 3.9100 . . 1 . . . . A 299 LYS HA . 30379 1 314 . 1 1 29 29 LYS HB2 H 1 1.9270 . . 2 . . . . A 299 LYS HB2 . 30379 1 315 . 1 1 29 29 LYS HB3 H 1 1.7930 . . 2 . . . . A 299 LYS HB3 . 30379 1 316 . 1 1 29 29 LYS HG2 H 1 1.4620 . . 2 . . . . A 299 LYS HG2 . 30379 1 317 . 1 1 29 29 LYS HD2 H 1 1.6030 . . 2 . . . . A 299 LYS HD2 . 30379 1 318 . 1 1 29 29 LYS HE2 H 1 2.9440 . . 2 . . . . A 299 LYS HE2 . 30379 1 319 . 1 1 29 29 LYS C C 13 178.1750 . . 1 . . . . A 299 LYS C . 30379 1 320 . 1 1 29 29 LYS CA C 13 58.5590 . . 1 . . . . A 299 LYS CA . 30379 1 321 . 1 1 29 29 LYS CB C 13 32.2980 . . 1 . . . . A 299 LYS CB . 30379 1 322 . 1 1 29 29 LYS CG C 13 25.0570 . . 1 . . . . A 299 LYS CG . 30379 1 323 . 1 1 29 29 LYS CD C 13 29.3430 . . 1 . . . . A 299 LYS CD . 30379 1 324 . 1 1 29 29 LYS CE C 13 42.2970 . . 1 . . . . A 299 LYS CE . 30379 1 325 . 1 1 29 29 LYS N N 15 119.5760 . . 1 . . . . A 299 LYS N . 30379 1 326 . 1 1 30 30 GLN H H 1 7.3180 . . 1 . . . . A 300 GLN H . 30379 1 327 . 1 1 30 30 GLN HA H 1 4.0350 . . 1 . . . . A 300 GLN HA . 30379 1 328 . 1 1 30 30 GLN HB2 H 1 2.1770 . . 2 . . . . A 300 GLN HB2 . 30379 1 329 . 1 1 30 30 GLN HG2 H 1 2.5270 . . 2 . . . . A 300 GLN HG2 . 30379 1 330 . 1 1 30 30 GLN HG3 H 1 2.3860 . . 2 . . . . A 300 GLN HG3 . 30379 1 331 . 1 1 30 30 GLN HE21 H 1 7.4440 . . 2 . . . . A 300 GLN HE21 . 30379 1 332 . 1 1 30 30 GLN HE22 H 1 6.8670 . . 2 . . . . A 300 GLN HE22 . 30379 1 333 . 1 1 30 30 GLN C C 13 177.7070 . . 1 . . . . A 300 GLN C . 30379 1 334 . 1 1 30 30 GLN CA C 13 57.9340 . . 1 . . . . A 300 GLN CA . 30379 1 335 . 1 1 30 30 GLN CB C 13 28.5420 . . 1 . . . . A 300 GLN CB . 30379 1 336 . 1 1 30 30 GLN CG C 13 34.1010 . . 1 . . . . A 300 GLN CG . 30379 1 337 . 1 1 30 30 GLN CD C 13 180.2830 . . 1 . . . . A 300 GLN CD . 30379 1 338 . 1 1 30 30 GLN N N 15 115.6820 . . 1 . . . . A 300 GLN N . 30379 1 339 . 1 1 30 30 GLN NE2 N 15 111.7110 . . 1 . . . . A 300 GLN NE2 . 30379 1 340 . 1 1 31 31 LYS H H 1 7.5440 . . 1 . . . . A 301 LYS H . 30379 1 341 . 1 1 31 31 LYS HA H 1 3.9850 . . 1 . . . . A 301 LYS HA . 30379 1 342 . 1 1 31 31 LYS HB2 H 1 1.6700 . . 2 . . . . A 301 LYS HB2 . 30379 1 343 . 1 1 31 31 LYS HB3 H 1 1.4560 . . 2 . . . . A 301 LYS HB3 . 30379 1 344 . 1 1 31 31 LYS HG2 H 1 1.3560 . . 2 . . . . A 301 LYS HG2 . 30379 1 345 . 1 1 31 31 LYS HG3 H 1 1.0670 . . 2 . . . . A 301 LYS HG3 . 30379 1 346 . 1 1 31 31 LYS HD2 H 1 1.5810 . . 2 . . . . A 301 LYS HD2 . 30379 1 347 . 1 1 31 31 LYS HE2 H 1 2.9200 . . 2 . . . . A 301 LYS HE2 . 30379 1 348 . 1 1 31 31 LYS C C 13 176.2870 . . 1 . . . . A 301 LYS C . 30379 1 349 . 1 1 31 31 LYS CA C 13 57.9380 . . 1 . . . . A 301 LYS CA . 30379 1 350 . 1 1 31 31 LYS CB C 13 33.9340 . . 1 . . . . A 301 LYS CB . 30379 1 351 . 1 1 31 31 LYS CG C 13 25.2130 . . 1 . . . . A 301 LYS CG . 30379 1 352 . 1 1 31 31 LYS CD C 13 29.2340 . . 1 . . . . A 301 LYS CD . 30379 1 353 . 1 1 31 31 LYS CE C 13 42.1010 . . 1 . . . . A 301 LYS CE . 30379 1 354 . 1 1 31 31 LYS N N 15 118.1100 . . 1 . . . . A 301 LYS N . 30379 1 355 . 1 1 32 32 HIS H H 1 8.0640 . . 1 . . . . A 302 HIS H . 30379 1 356 . 1 1 32 32 HIS HA H 1 5.2390 . . 1 . . . . A 302 HIS HA . 30379 1 357 . 1 1 32 32 HIS HB2 H 1 3.1520 . . 2 . . . . A 302 HIS HB2 . 30379 1 358 . 1 1 32 32 HIS HB3 H 1 2.7860 . . 2 . . . . A 302 HIS HB3 . 30379 1 359 . 1 1 32 32 HIS HD2 H 1 6.8350 . . 1 . . . . A 302 HIS HD2 . 30379 1 360 . 1 1 32 32 HIS HE1 H 1 7.7890 . . 1 . . . . A 302 HIS HE1 . 30379 1 361 . 1 1 32 32 HIS C C 13 180.9180 . . 1 . . . . A 302 HIS C . 30379 1 362 . 1 1 32 32 HIS CA C 13 52.8060 . . 1 . . . . A 302 HIS CA . 30379 1 363 . 1 1 32 32 HIS CB C 13 29.6110 . . 1 . . . . A 302 HIS CB . 30379 1 364 . 1 1 32 32 HIS CD2 C 13 124.4800 . . 1 . . . . A 302 HIS CD2 . 30379 1 365 . 1 1 32 32 HIS CE1 C 13 139.2140 . . 1 . . . . A 302 HIS CE1 . 30379 1 366 . 1 1 32 32 HIS N N 15 116.3680 . . 1 . . . . A 302 HIS N . 30379 1 367 . 1 1 33 33 PRO HA H 1 4.5180 . . 1 . . . . A 303 PRO HA . 30379 1 368 . 1 1 33 33 PRO HB2 H 1 2.3910 . . 2 . . . . A 303 PRO HB2 . 30379 1 369 . 1 1 33 33 PRO HB3 H 1 2.0350 . . 2 . . . . A 303 PRO HB3 . 30379 1 370 . 1 1 33 33 PRO HG2 H 1 2.0400 . . 2 . . . . A 303 PRO HG2 . 30379 1 371 . 1 1 33 33 PRO HG3 H 1 2.0100 . . 2 . . . . A 303 PRO HG3 . 30379 1 372 . 1 1 33 33 PRO HD2 H 1 3.6800 . . 2 . . . . A 303 PRO HD2 . 30379 1 373 . 1 1 33 33 PRO HD3 H 1 3.3640 . . 2 . . . . A 303 PRO HD3 . 30379 1 374 . 1 1 33 33 PRO C C 13 177.4660 . . 1 . . . . A 303 PRO C . 30379 1 375 . 1 1 33 33 PRO CA C 13 64.9080 . . 1 . . . . A 303 PRO CA . 30379 1 376 . 1 1 33 33 PRO CB C 13 31.8170 . . 1 . . . . A 303 PRO CB . 30379 1 377 . 1 1 33 33 PRO CG C 13 27.2320 . . 1 . . . . A 303 PRO CG . 30379 1 378 . 1 1 33 33 PRO CD C 13 50.3600 . . 1 . . . . A 303 PRO CD . 30379 1 379 . 1 1 34 34 GLU H H 1 9.6270 . . 1 . . . . A 304 GLU H . 30379 1 380 . 1 1 34 34 GLU HA H 1 4.4300 . . 1 . . . . A 304 GLU HA . 30379 1 381 . 1 1 34 34 GLU HB2 H 1 2.1300 . . 2 . . . . A 304 GLU HB2 . 30379 1 382 . 1 1 34 34 GLU HB3 H 1 2.0550 . . 2 . . . . A 304 GLU HB3 . 30379 1 383 . 1 1 34 34 GLU HG2 H 1 2.4580 . . 2 . . . . A 304 GLU HG2 . 30379 1 384 . 1 1 34 34 GLU HG3 H 1 2.1490 . . 2 . . . . A 304 GLU HG3 . 30379 1 385 . 1 1 34 34 GLU C C 13 176.9820 . . 1 . . . . A 304 GLU C . 30379 1 386 . 1 1 34 34 GLU CA C 13 56.4420 . . 1 . . . . A 304 GLU CA . 30379 1 387 . 1 1 34 34 GLU CB C 13 28.5990 . . 1 . . . . A 304 GLU CB . 30379 1 388 . 1 1 34 34 GLU CG C 13 35.9220 . . 1 . . . . A 304 GLU CG . 30379 1 389 . 1 1 34 34 GLU N N 15 118.9190 . . 1 . . . . A 304 GLU N . 30379 1 390 . 1 1 35 35 LYS H H 1 7.5410 . . 1 . . . . A 305 LYS H . 30379 1 391 . 1 1 35 35 LYS HA H 1 4.4060 . . 1 . . . . A 305 LYS HA . 30379 1 392 . 1 1 35 35 LYS HB2 H 1 1.8630 . . 2 . . . . A 305 LYS HB2 . 30379 1 393 . 1 1 35 35 LYS HB3 H 1 1.6750 . . 2 . . . . A 305 LYS HB3 . 30379 1 394 . 1 1 35 35 LYS HG2 H 1 1.4600 . . 2 . . . . A 305 LYS HG2 . 30379 1 395 . 1 1 35 35 LYS HD2 H 1 1.4670 . . 2 . . . . A 305 LYS HD2 . 30379 1 396 . 1 1 35 35 LYS HD3 H 1 1.3150 . . 2 . . . . A 305 LYS HD3 . 30379 1 397 . 1 1 35 35 LYS HE2 H 1 2.7060 . . 2 . . . . A 305 LYS HE2 . 30379 1 398 . 1 1 35 35 LYS C C 13 176.0080 . . 1 . . . . A 305 LYS C . 30379 1 399 . 1 1 35 35 LYS CA C 13 56.4160 . . 1 . . . . A 305 LYS CA . 30379 1 400 . 1 1 35 35 LYS CB C 13 33.8760 . . 1 . . . . A 305 LYS CB . 30379 1 401 . 1 1 35 35 LYS CG C 13 26.6260 . . 1 . . . . A 305 LYS CG . 30379 1 402 . 1 1 35 35 LYS CD C 13 29.2980 . . 1 . . . . A 305 LYS CD . 30379 1 403 . 1 1 35 35 LYS CE C 13 41.8600 . . 1 . . . . A 305 LYS CE . 30379 1 404 . 1 1 35 35 LYS N N 15 121.7100 . . 1 . . . . A 305 LYS N . 30379 1 405 . 1 1 36 36 GLU H H 1 8.6290 . . 1 . . . . A 306 GLU H . 30379 1 406 . 1 1 36 36 GLU HA H 1 4.3820 . . 1 . . . . A 306 GLU HA . 30379 1 407 . 1 1 36 36 GLU HB2 H 1 2.4050 . . 2 . . . . A 306 GLU HB2 . 30379 1 408 . 1 1 36 36 GLU HB3 H 1 1.9540 . . 2 . . . . A 306 GLU HB3 . 30379 1 409 . 1 1 36 36 GLU HG2 H 1 2.4840 . . 2 . . . . A 306 GLU HG2 . 30379 1 410 . 1 1 36 36 GLU HG3 H 1 2.4150 . . 2 . . . . A 306 GLU HG3 . 30379 1 411 . 1 1 36 36 GLU C C 13 178.7780 . . 1 . . . . A 306 GLU C . 30379 1 412 . 1 1 36 36 GLU CA C 13 55.6120 . . 1 . . . . A 306 GLU CA . 30379 1 413 . 1 1 36 36 GLU CB C 13 30.4720 . . 1 . . . . A 306 GLU CB . 30379 1 414 . 1 1 36 36 GLU CG C 13 36.3210 . . 1 . . . . A 306 GLU CG . 30379 1 415 . 1 1 36 36 GLU N N 15 120.9050 . . 1 . . . . A 306 GLU N . 30379 1 416 . 1 1 37 37 ILE H H 1 8.8810 . . 1 . . . . A 307 ILE H . 30379 1 417 . 1 1 37 37 ILE HA H 1 3.9110 . . 1 . . . . A 307 ILE HA . 30379 1 418 . 1 1 37 37 ILE HB H 1 1.9780 . . 1 . . . . A 307 ILE HB . 30379 1 419 . 1 1 37 37 ILE HG12 H 1 1.4700 . . 2 . . . . A 307 ILE HG12 . 30379 1 420 . 1 1 37 37 ILE HG13 H 1 1.4700 . . 2 . . . . A 307 ILE HG13 . 30379 1 421 . 1 1 37 37 ILE HG21 H 1 1.0000 . . 1 . . . . A 307 ILE HG21 . 30379 1 422 . 1 1 37 37 ILE HG22 H 1 1.0000 . . 1 . . . . A 307 ILE HG22 . 30379 1 423 . 1 1 37 37 ILE HG23 H 1 1.0000 . . 1 . . . . A 307 ILE HG23 . 30379 1 424 . 1 1 37 37 ILE HD11 H 1 0.9530 . . 1 . . . . A 307 ILE HD11 . 30379 1 425 . 1 1 37 37 ILE HD12 H 1 0.9530 . . 1 . . . . A 307 ILE HD12 . 30379 1 426 . 1 1 37 37 ILE HD13 H 1 0.9530 . . 1 . . . . A 307 ILE HD13 . 30379 1 427 . 1 1 37 37 ILE C C 13 176.8840 . . 1 . . . . A 307 ILE C . 30379 1 428 . 1 1 37 37 ILE CA C 13 63.6190 . . 1 . . . . A 307 ILE CA . 30379 1 429 . 1 1 37 37 ILE CB C 13 37.7480 . . 1 . . . . A 307 ILE CB . 30379 1 430 . 1 1 37 37 ILE CG1 C 13 28.7110 . . 1 . . . . A 307 ILE CG1 . 30379 1 431 . 1 1 37 37 ILE CG2 C 13 18.0060 . . 1 . . . . A 307 ILE CG2 . 30379 1 432 . 1 1 37 37 ILE CD1 C 13 13.2550 . . 1 . . . . A 307 ILE CD1 . 30379 1 433 . 1 1 37 37 ILE N N 15 123.2810 . . 1 . . . . A 307 ILE N . 30379 1 434 . 1 1 38 38 GLU H H 1 9.1110 . . 1 . . . . A 308 GLU H . 30379 1 435 . 1 1 38 38 GLU HA H 1 3.9760 . . 1 . . . . A 308 GLU HA . 30379 1 436 . 1 1 38 38 GLU HB2 H 1 2.0560 . . 2 . . . . A 308 GLU HB2 . 30379 1 437 . 1 1 38 38 GLU HB3 H 1 2.0050 . . 2 . . . . A 308 GLU HB3 . 30379 1 438 . 1 1 38 38 GLU HG2 H 1 2.4140 . . 2 . . . . A 308 GLU HG2 . 30379 1 439 . 1 1 38 38 GLU HG3 H 1 2.3100 . . 2 . . . . A 308 GLU HG3 . 30379 1 440 . 1 1 38 38 GLU C C 13 179.5000 . . 1 . . . . A 308 GLU C . 30379 1 441 . 1 1 38 38 GLU CA C 13 60.7150 . . 1 . . . . A 308 GLU CA . 30379 1 442 . 1 1 38 38 GLU CB C 13 28.4850 . . 1 . . . . A 308 GLU CB . 30379 1 443 . 1 1 38 38 GLU CG C 13 36.9800 . . 1 . . . . A 308 GLU CG . 30379 1 444 . 1 1 38 38 GLU N N 15 119.7000 . . 1 . . . . A 308 GLU N . 30379 1 445 . 1 1 39 39 GLN H H 1 7.3230 . . 1 . . . . A 309 GLN H . 30379 1 446 . 1 1 39 39 GLN HA H 1 4.2460 . . 1 . . . . A 309 GLN HA . 30379 1 447 . 1 1 39 39 GLN HB2 H 1 2.3620 . . 2 . . . . A 309 GLN HB2 . 30379 1 448 . 1 1 39 39 GLN HB3 H 1 2.0950 . . 2 . . . . A 309 GLN HB3 . 30379 1 449 . 1 1 39 39 GLN HG2 H 1 2.4530 . . 2 . . . . A 309 GLN HG2 . 30379 1 450 . 1 1 39 39 GLN HE21 H 1 7.7170 . . 2 . . . . A 309 GLN HE21 . 30379 1 451 . 1 1 39 39 GLN HE22 H 1 6.9530 . . 2 . . . . A 309 GLN HE22 . 30379 1 452 . 1 1 39 39 GLN C C 13 178.6420 . . 1 . . . . A 309 GLN C . 30379 1 453 . 1 1 39 39 GLN CA C 13 58.1280 . . 1 . . . . A 309 GLN CA . 30379 1 454 . 1 1 39 39 GLN CB C 13 29.1540 . . 1 . . . . A 309 GLN CB . 30379 1 455 . 1 1 39 39 GLN CG C 13 35.0000 . . 1 . . . . A 309 GLN CG . 30379 1 456 . 1 1 39 39 GLN CD C 13 180.0760 . . 1 . . . . A 309 GLN CD . 30379 1 457 . 1 1 39 39 GLN N N 15 116.6750 . . 1 . . . . A 309 GLN N . 30379 1 458 . 1 1 39 39 GLN NE2 N 15 112.8900 . . 1 . . . . A 309 GLN NE2 . 30379 1 459 . 1 1 40 40 LEU H H 1 7.9180 . . 1 . . . . A 310 LEU H . 30379 1 460 . 1 1 40 40 LEU HA H 1 4.0650 . . 1 . . . . A 310 LEU HA . 30379 1 461 . 1 1 40 40 LEU HB2 H 1 2.0520 . . 2 . . . . A 310 LEU HB2 . 30379 1 462 . 1 1 40 40 LEU HB3 H 1 1.3550 . . 2 . . . . A 310 LEU HB3 . 30379 1 463 . 1 1 40 40 LEU HG H 1 1.6890 . . 1 . . . . A 310 LEU HG . 30379 1 464 . 1 1 40 40 LEU HD11 H 1 0.8740 . . 2 . . . . A 310 LEU HD11 . 30379 1 465 . 1 1 40 40 LEU HD12 H 1 0.8740 . . 2 . . . . A 310 LEU HD12 . 30379 1 466 . 1 1 40 40 LEU HD13 H 1 0.8740 . . 2 . . . . A 310 LEU HD13 . 30379 1 467 . 1 1 40 40 LEU HD21 H 1 0.8030 . . 2 . . . . A 310 LEU HD21 . 30379 1 468 . 1 1 40 40 LEU HD22 H 1 0.8030 . . 2 . . . . A 310 LEU HD22 . 30379 1 469 . 1 1 40 40 LEU HD23 H 1 0.8030 . . 2 . . . . A 310 LEU HD23 . 30379 1 470 . 1 1 40 40 LEU C C 13 178.1920 . . 1 . . . . A 310 LEU C . 30379 1 471 . 1 1 40 40 LEU CA C 13 57.4600 . . 1 . . . . A 310 LEU CA . 30379 1 472 . 1 1 40 40 LEU CB C 13 41.8040 . . 1 . . . . A 310 LEU CB . 30379 1 473 . 1 1 40 40 LEU CG C 13 26.0330 . . 1 . . . . A 310 LEU CG . 30379 1 474 . 1 1 40 40 LEU CD1 C 13 25.8440 . . 2 . . . . A 310 LEU CD1 . 30379 1 475 . 1 1 40 40 LEU CD2 C 13 23.3200 . . 2 . . . . A 310 LEU CD2 . 30379 1 476 . 1 1 40 40 LEU N N 15 120.6400 . . 1 . . . . A 310 LEU N . 30379 1 477 . 1 1 41 41 ILE H H 1 8.4080 . . 1 . . . . A 311 ILE H . 30379 1 478 . 1 1 41 41 ILE HA H 1 3.5900 . . 1 . . . . A 311 ILE HA . 30379 1 479 . 1 1 41 41 ILE HB H 1 1.8080 . . 1 . . . . A 311 ILE HB . 30379 1 480 . 1 1 41 41 ILE HG12 H 1 1.7650 . . 2 . . . . A 311 ILE HG12 . 30379 1 481 . 1 1 41 41 ILE HG13 H 1 1.0810 . . 2 . . . . A 311 ILE HG13 . 30379 1 482 . 1 1 41 41 ILE HG21 H 1 0.8910 . . 1 . . . . A 311 ILE HG21 . 30379 1 483 . 1 1 41 41 ILE HG22 H 1 0.8910 . . 1 . . . . A 311 ILE HG22 . 30379 1 484 . 1 1 41 41 ILE HG23 H 1 0.8910 . . 1 . . . . A 311 ILE HG23 . 30379 1 485 . 1 1 41 41 ILE HD11 H 1 0.8320 . . 1 . . . . A 311 ILE HD11 . 30379 1 486 . 1 1 41 41 ILE HD12 H 1 0.8320 . . 1 . . . . A 311 ILE HD12 . 30379 1 487 . 1 1 41 41 ILE HD13 H 1 0.8320 . . 1 . . . . A 311 ILE HD13 . 30379 1 488 . 1 1 41 41 ILE C C 13 177.7190 . . 1 . . . . A 311 ILE C . 30379 1 489 . 1 1 41 41 ILE CA C 13 65.5100 . . 1 . . . . A 311 ILE CA . 30379 1 490 . 1 1 41 41 ILE CB C 13 38.1980 . . 1 . . . . A 311 ILE CB . 30379 1 491 . 1 1 41 41 ILE CG1 C 13 29.7510 . . 1 . . . . A 311 ILE CG1 . 30379 1 492 . 1 1 41 41 ILE CG2 C 13 17.0530 . . 1 . . . . A 311 ILE CG2 . 30379 1 493 . 1 1 41 41 ILE CD1 C 13 13.4270 . . 1 . . . . A 311 ILE CD1 . 30379 1 494 . 1 1 41 41 ILE N N 15 119.9800 . . 1 . . . . A 311 ILE N . 30379 1 495 . 1 1 42 42 GLU H H 1 7.3920 . . 1 . . . . A 312 GLU H . 30379 1 496 . 1 1 42 42 GLU HA H 1 4.0910 . . 1 . . . . A 312 GLU HA . 30379 1 497 . 1 1 42 42 GLU HB2 H 1 2.1200 . . 2 . . . . A 312 GLU HB2 . 30379 1 498 . 1 1 42 42 GLU HG2 H 1 2.3880 . . 2 . . . . A 312 GLU HG2 . 30379 1 499 . 1 1 42 42 GLU HG3 H 1 2.2140 . . 2 . . . . A 312 GLU HG3 . 30379 1 500 . 1 1 42 42 GLU C C 13 179.1960 . . 1 . . . . A 312 GLU C . 30379 1 501 . 1 1 42 42 GLU CA C 13 59.4770 . . 1 . . . . A 312 GLU CA . 30379 1 502 . 1 1 42 42 GLU CB C 13 29.4930 . . 1 . . . . A 312 GLU CB . 30379 1 503 . 1 1 42 42 GLU CG C 13 36.2780 . . 1 . . . . A 312 GLU CG . 30379 1 504 . 1 1 42 42 GLU N N 15 119.1550 . . 1 . . . . A 312 GLU N . 30379 1 505 . 1 1 43 43 LEU H H 1 7.6570 . . 1 . . . . A 313 LEU H . 30379 1 506 . 1 1 43 43 LEU HA H 1 4.1840 . . 1 . . . . A 313 LEU HA . 30379 1 507 . 1 1 43 43 LEU HB2 H 1 1.9010 . . 2 . . . . A 313 LEU HB2 . 30379 1 508 . 1 1 43 43 LEU HB3 H 1 1.5950 . . 2 . . . . A 313 LEU HB3 . 30379 1 509 . 1 1 43 43 LEU HG H 1 1.7660 . . 1 . . . . A 313 LEU HG . 30379 1 510 . 1 1 43 43 LEU HD11 H 1 0.7640 . . 2 . . . . A 313 LEU HD11 . 30379 1 511 . 1 1 43 43 LEU HD12 H 1 0.7640 . . 2 . . . . A 313 LEU HD12 . 30379 1 512 . 1 1 43 43 LEU HD13 H 1 0.7640 . . 2 . . . . A 313 LEU HD13 . 30379 1 513 . 1 1 43 43 LEU HD21 H 1 0.8230 . . 2 . . . . A 313 LEU HD21 . 30379 1 514 . 1 1 43 43 LEU HD22 H 1 0.8230 . . 2 . . . . A 313 LEU HD22 . 30379 1 515 . 1 1 43 43 LEU HD23 H 1 0.8230 . . 2 . . . . A 313 LEU HD23 . 30379 1 516 . 1 1 43 43 LEU C C 13 179.4130 . . 1 . . . . A 313 LEU C . 30379 1 517 . 1 1 43 43 LEU CA C 13 57.6820 . . 1 . . . . A 313 LEU CA . 30379 1 518 . 1 1 43 43 LEU CB C 13 42.3090 . . 1 . . . . A 313 LEU CB . 30379 1 519 . 1 1 43 43 LEU CG C 13 26.9230 . . 1 . . . . A 313 LEU CG . 30379 1 520 . 1 1 43 43 LEU CD1 C 13 24.5490 . . 2 . . . . A 313 LEU CD1 . 30379 1 521 . 1 1 43 43 LEU CD2 C 13 23.3820 . . 2 . . . . A 313 LEU CD2 . 30379 1 522 . 1 1 43 43 LEU N N 15 119.8630 . . 1 . . . . A 313 LEU N . 30379 1 523 . 1 1 44 44 ALA H H 1 8.6780 . . 1 . . . . A 314 ALA H . 30379 1 524 . 1 1 44 44 ALA HA H 1 3.9450 . . 1 . . . . A 314 ALA HA . 30379 1 525 . 1 1 44 44 ALA HB1 H 1 1.4520 . . 1 . . . . A 314 ALA HB1 . 30379 1 526 . 1 1 44 44 ALA HB2 H 1 1.4520 . . 1 . . . . A 314 ALA HB2 . 30379 1 527 . 1 1 44 44 ALA HB3 H 1 1.4520 . . 1 . . . . A 314 ALA HB3 . 30379 1 528 . 1 1 44 44 ALA C C 13 178.8360 . . 1 . . . . A 314 ALA C . 30379 1 529 . 1 1 44 44 ALA CA C 13 55.1610 . . 1 . . . . A 314 ALA CA . 30379 1 530 . 1 1 44 44 ALA CB C 13 18.5830 . . 1 . . . . A 314 ALA CB . 30379 1 531 . 1 1 44 44 ALA N N 15 123.7510 . . 1 . . . . A 314 ALA N . 30379 1 532 . 1 1 45 45 ASN H H 1 8.4350 . . 1 . . . . A 315 ASN H . 30379 1 533 . 1 1 45 45 ASN HA H 1 4.4200 . . 1 . . . . A 315 ASN HA . 30379 1 534 . 1 1 45 45 ASN HB2 H 1 2.8650 . . 2 . . . . A 315 ASN HB2 . 30379 1 535 . 1 1 45 45 ASN HB3 H 1 2.7390 . . 2 . . . . A 315 ASN HB3 . 30379 1 536 . 1 1 45 45 ASN HD21 H 1 7.4540 . . 2 . . . . A 315 ASN HD21 . 30379 1 537 . 1 1 45 45 ASN HD22 H 1 6.7560 . . 2 . . . . A 315 ASN HD22 . 30379 1 538 . 1 1 45 45 ASN C C 13 177.5350 . . 1 . . . . A 315 ASN C . 30379 1 539 . 1 1 45 45 ASN CA C 13 55.7780 . . 1 . . . . A 315 ASN CA . 30379 1 540 . 1 1 45 45 ASN CB C 13 38.2700 . . 1 . . . . A 315 ASN CB . 30379 1 541 . 1 1 45 45 ASN CG C 13 175.6330 . . 1 . . . . A 315 ASN CG . 30379 1 542 . 1 1 45 45 ASN N N 15 116.1810 . . 1 . . . . A 315 ASN N . 30379 1 543 . 1 1 45 45 ASN ND2 N 15 111.6590 . . 1 . . . . A 315 ASN ND2 . 30379 1 544 . 1 1 46 46 TYR H H 1 7.9510 . . 1 . . . . A 316 TYR H . 30379 1 545 . 1 1 46 46 TYR HA H 1 4.3250 . . 1 . . . . A 316 TYR HA . 30379 1 546 . 1 1 46 46 TYR HB2 H 1 3.1940 . . 2 . . . . A 316 TYR HB2 . 30379 1 547 . 1 1 46 46 TYR HD1 H 1 7.1450 . . 3 . . . . A 316 TYR HD1 . 30379 1 548 . 1 1 46 46 TYR HD2 H 1 7.1450 . . 3 . . . . A 316 TYR HD2 . 30379 1 549 . 1 1 46 46 TYR HE1 H 1 6.8140 . . 3 . . . . A 316 TYR HE1 . 30379 1 550 . 1 1 46 46 TYR HE2 H 1 6.8140 . . 3 . . . . A 316 TYR HE2 . 30379 1 551 . 1 1 46 46 TYR C C 13 178.0310 . . 1 . . . . A 316 TYR C . 30379 1 552 . 1 1 46 46 TYR CA C 13 60.8420 . . 1 . . . . A 316 TYR CA . 30379 1 553 . 1 1 46 46 TYR CB C 13 38.0180 . . 1 . . . . A 316 TYR CB . 30379 1 554 . 1 1 46 46 TYR CD1 C 13 133.4370 . . 3 . . . . A 316 TYR CD1 . 30379 1 555 . 1 1 46 46 TYR CD2 C 13 133.4370 . . 3 . . . . A 316 TYR CD2 . 30379 1 556 . 1 1 46 46 TYR CE1 C 13 118.7280 . . 3 . . . . A 316 TYR CE1 . 30379 1 557 . 1 1 46 46 TYR CE2 C 13 118.7280 . . 3 . . . . A 316 TYR CE2 . 30379 1 558 . 1 1 46 46 TYR N N 15 119.2970 . . 1 . . . . A 316 TYR N . 30379 1 559 . 1 1 47 47 GLN H H 1 8.2490 . . 1 . . . . A 317 GLN H . 30379 1 560 . 1 1 47 47 GLN HA H 1 4.0130 . . 1 . . . . A 317 GLN HA . 30379 1 561 . 1 1 47 47 GLN HB2 H 1 2.2900 . . 2 . . . . A 317 GLN HB2 . 30379 1 562 . 1 1 47 47 GLN HB3 H 1 2.2020 . . 2 . . . . A 317 GLN HB3 . 30379 1 563 . 1 1 47 47 GLN HG2 H 1 2.5250 . . 2 . . . . A 317 GLN HG2 . 30379 1 564 . 1 1 47 47 GLN HG3 H 1 2.4080 . . 2 . . . . A 317 GLN HG3 . 30379 1 565 . 1 1 47 47 GLN HE21 H 1 7.4780 . . 2 . . . . A 317 GLN HE21 . 30379 1 566 . 1 1 47 47 GLN HE22 H 1 6.8230 . . 2 . . . . A 317 GLN HE22 . 30379 1 567 . 1 1 47 47 GLN C C 13 178.2480 . . 1 . . . . A 317 GLN C . 30379 1 568 . 1 1 47 47 GLN CA C 13 58.8780 . . 1 . . . . A 317 GLN CA . 30379 1 569 . 1 1 47 47 GLN CB C 13 28.3900 . . 1 . . . . A 317 GLN CB . 30379 1 570 . 1 1 47 47 GLN CG C 13 33.9280 . . 1 . . . . A 317 GLN CG . 30379 1 571 . 1 1 47 47 GLN CD C 13 179.2070 . . 1 . . . . A 317 GLN CD . 30379 1 572 . 1 1 47 47 GLN N N 15 120.5780 . . 1 . . . . A 317 GLN N . 30379 1 573 . 1 1 47 47 GLN NE2 N 15 110.7860 . . 1 . . . . A 317 GLN NE2 . 30379 1 574 . 1 1 48 48 VAL H H 1 8.1390 . . 1 . . . . A 318 VAL H . 30379 1 575 . 1 1 48 48 VAL HA H 1 3.7490 . . 1 . . . . A 318 VAL HA . 30379 1 576 . 1 1 48 48 VAL HB H 1 2.1450 . . 1 . . . . A 318 VAL HB . 30379 1 577 . 1 1 48 48 VAL HG11 H 1 0.9150 . . 2 . . . . A 318 VAL HG11 . 30379 1 578 . 1 1 48 48 VAL HG12 H 1 0.9150 . . 2 . . . . A 318 VAL HG12 . 30379 1 579 . 1 1 48 48 VAL HG13 H 1 0.9150 . . 2 . . . . A 318 VAL HG13 . 30379 1 580 . 1 1 48 48 VAL HG21 H 1 1.0430 . . 2 . . . . A 318 VAL HG21 . 30379 1 581 . 1 1 48 48 VAL HG22 H 1 1.0430 . . 2 . . . . A 318 VAL HG22 . 30379 1 582 . 1 1 48 48 VAL HG23 H 1 1.0430 . . 2 . . . . A 318 VAL HG23 . 30379 1 583 . 1 1 48 48 VAL C C 13 178.1900 . . 1 . . . . A 318 VAL C . 30379 1 584 . 1 1 48 48 VAL CA C 13 65.7840 . . 1 . . . . A 318 VAL CA . 30379 1 585 . 1 1 48 48 VAL CB C 13 31.9750 . . 1 . . . . A 318 VAL CB . 30379 1 586 . 1 1 48 48 VAL CG1 C 13 21.1290 . . 2 . . . . A 318 VAL CG1 . 30379 1 587 . 1 1 48 48 VAL CG2 C 13 22.5410 . . 2 . . . . A 318 VAL CG2 . 30379 1 588 . 1 1 48 48 VAL N N 15 119.3670 . . 1 . . . . A 318 VAL N . 30379 1 589 . 1 1 49 49 LEU H H 1 8.0200 . . 1 . . . . A 319 LEU H . 30379 1 590 . 1 1 49 49 LEU HA H 1 4.1510 . . 1 . . . . A 319 LEU HA . 30379 1 591 . 1 1 49 49 LEU HB2 H 1 1.7210 . . 2 . . . . A 319 LEU HB2 . 30379 1 592 . 1 1 49 49 LEU HB3 H 1 1.5610 . . 2 . . . . A 319 LEU HB3 . 30379 1 593 . 1 1 49 49 LEU HG H 1 1.6970 . . 1 . . . . A 319 LEU HG . 30379 1 594 . 1 1 49 49 LEU HD11 H 1 0.8750 . . 2 . . . . A 319 LEU HD11 . 30379 1 595 . 1 1 49 49 LEU HD12 H 1 0.8750 . . 2 . . . . A 319 LEU HD12 . 30379 1 596 . 1 1 49 49 LEU HD13 H 1 0.8750 . . 2 . . . . A 319 LEU HD13 . 30379 1 597 . 1 1 49 49 LEU HD21 H 1 0.8480 . . 2 . . . . A 319 LEU HD21 . 30379 1 598 . 1 1 49 49 LEU HD22 H 1 0.8480 . . 2 . . . . A 319 LEU HD22 . 30379 1 599 . 1 1 49 49 LEU HD23 H 1 0.8480 . . 2 . . . . A 319 LEU HD23 . 30379 1 600 . 1 1 49 49 LEU C C 13 179.2060 . . 1 . . . . A 319 LEU C . 30379 1 601 . 1 1 49 49 LEU CA C 13 57.1950 . . 1 . . . . A 319 LEU CA . 30379 1 602 . 1 1 49 49 LEU CB C 13 41.8700 . . 1 . . . . A 319 LEU CB . 30379 1 603 . 1 1 49 49 LEU CG C 13 27.1330 . . 1 . . . . A 319 LEU CG . 30379 1 604 . 1 1 49 49 LEU CD1 C 13 24.7280 . . 2 . . . . A 319 LEU CD1 . 30379 1 605 . 1 1 49 49 LEU CD2 C 13 23.5390 . . 2 . . . . A 319 LEU CD2 . 30379 1 606 . 1 1 49 49 LEU N N 15 121.2170 . . 1 . . . . A 319 LEU N . 30379 1 607 . 1 1 50 50 SER H H 1 8.0760 . . 1 . . . . A 320 SER H . 30379 1 608 . 1 1 50 50 SER HA H 1 4.2120 . . 1 . . . . A 320 SER HA . 30379 1 609 . 1 1 50 50 SER HB2 H 1 3.8360 . . 2 . . . . A 320 SER HB2 . 30379 1 610 . 1 1 50 50 SER HB3 H 1 3.7510 . . 2 . . . . A 320 SER HB3 . 30379 1 611 . 1 1 50 50 SER C C 13 175.8820 . . 1 . . . . A 320 SER C . 30379 1 612 . 1 1 50 50 SER CA C 13 60.3260 . . 1 . . . . A 320 SER CA . 30379 1 613 . 1 1 50 50 SER CB C 13 63.2940 . . 1 . . . . A 320 SER CB . 30379 1 614 . 1 1 50 50 SER N N 15 114.3770 . . 1 . . . . A 320 SER N . 30379 1 615 . 1 1 51 51 GLN H H 1 7.8860 . . 1 . . . . A 321 GLN H . 30379 1 616 . 1 1 51 51 GLN HA H 1 4.2360 . . 1 . . . . A 321 GLN HA . 30379 1 617 . 1 1 51 51 GLN HB2 H 1 2.1900 . . 2 . . . . A 321 GLN HB2 . 30379 1 618 . 1 1 51 51 GLN HB3 H 1 2.1090 . . 2 . . . . A 321 GLN HB3 . 30379 1 619 . 1 1 51 51 GLN HG2 H 1 2.5060 . . 2 . . . . A 321 GLN HG2 . 30379 1 620 . 1 1 51 51 GLN HG3 H 1 2.4320 . . 2 . . . . A 321 GLN HG3 . 30379 1 621 . 1 1 51 51 GLN HE21 H 1 7.4980 . . 2 . . . . A 321 GLN HE21 . 30379 1 622 . 1 1 51 51 GLN HE22 H 1 7.0290 . . 2 . . . . A 321 GLN HE22 . 30379 1 623 . 1 1 51 51 GLN C C 13 177.0810 . . 1 . . . . A 321 GLN C . 30379 1 624 . 1 1 51 51 GLN CA C 13 57.0010 . . 1 . . . . A 321 GLN CA . 30379 1 625 . 1 1 51 51 GLN CB C 13 28.6530 . . 1 . . . . A 321 GLN CB . 30379 1 626 . 1 1 51 51 GLN CG C 13 34.0010 . . 1 . . . . A 321 GLN CG . 30379 1 627 . 1 1 51 51 GLN CD C 13 180.3920 . . 1 . . . . A 321 GLN CD . 30379 1 628 . 1 1 51 51 GLN N N 15 120.4780 . . 1 . . . . A 321 GLN N . 30379 1 629 . 1 1 51 51 GLN NE2 N 15 112.0070 . . 1 . . . . A 321 GLN NE2 . 30379 1 630 . 1 1 52 52 GLN H H 1 8.0260 . . 1 . . . . A 322 GLN H . 30379 1 631 . 1 1 52 52 GLN HA H 1 4.2250 . . 1 . . . . A 322 GLN HA . 30379 1 632 . 1 1 52 52 GLN HB2 H 1 2.1160 . . 2 . . . . A 322 GLN HB2 . 30379 1 633 . 1 1 52 52 GLN HG2 H 1 2.4850 . . 2 . . . . A 322 GLN HG2 . 30379 1 634 . 1 1 52 52 GLN HG3 H 1 2.4090 . . 2 . . . . A 322 GLN HG3 . 30379 1 635 . 1 1 52 52 GLN HE21 H 1 7.5140 . . 2 . . . . A 322 GLN HE21 . 30379 1 636 . 1 1 52 52 GLN HE22 H 1 6.8510 . . 2 . . . . A 322 GLN HE22 . 30379 1 637 . 1 1 52 52 GLN C C 13 176.8550 . . 1 . . . . A 322 GLN C . 30379 1 638 . 1 1 52 52 GLN CA C 13 56.9640 . . 1 . . . . A 322 GLN CA . 30379 1 639 . 1 1 52 52 GLN CB C 13 28.9070 . . 1 . . . . A 322 GLN CB . 30379 1 640 . 1 1 52 52 GLN CG C 13 33.9650 . . 1 . . . . A 322 GLN CG . 30379 1 641 . 1 1 52 52 GLN CD C 13 180.2960 . . 1 . . . . A 322 GLN CD . 30379 1 642 . 1 1 52 52 GLN N N 15 119.4940 . . 1 . . . . A 322 GLN N . 30379 1 643 . 1 1 52 52 GLN NE2 N 15 111.9070 . . 1 . . . . A 322 GLN NE2 . 30379 1 644 . 1 1 53 53 GLN H H 1 8.1950 . . 1 . . . . A 323 GLN H . 30379 1 645 . 1 1 53 53 GLN HA H 1 4.2430 . . 1 . . . . A 323 GLN HA . 30379 1 646 . 1 1 53 53 GLN HB2 H 1 2.1330 . . 2 . . . . A 323 GLN HB2 . 30379 1 647 . 1 1 53 53 GLN HB3 H 1 2.0440 . . 2 . . . . A 323 GLN HB3 . 30379 1 648 . 1 1 53 53 GLN HG2 H 1 2.4080 . . 2 . . . . A 323 GLN HG2 . 30379 1 649 . 1 1 53 53 GLN HE21 H 1 6.8640 . . 2 . . . . A 323 GLN HE21 . 30379 1 650 . 1 1 53 53 GLN HE22 H 1 7.5140 . . 2 . . . . A 323 GLN HE22 . 30379 1 651 . 1 1 53 53 GLN C C 13 176.4850 . . 1 . . . . A 323 GLN C . 30379 1 652 . 1 1 53 53 GLN CA C 13 56.5160 . . 1 . . . . A 323 GLN CA . 30379 1 653 . 1 1 53 53 GLN CB C 13 28.8570 . . 1 . . . . A 323 GLN CB . 30379 1 654 . 1 1 53 53 GLN CG C 13 33.8550 . . 1 . . . . A 323 GLN CG . 30379 1 655 . 1 1 53 53 GLN CD C 13 180.4110 . . 1 . . . . A 323 GLN CD . 30379 1 656 . 1 1 53 53 GLN N N 15 119.8840 . . 1 . . . . A 323 GLN N . 30379 1 657 . 1 1 53 53 GLN NE2 N 15 112.2410 . . 1 . . . . A 323 GLN NE2 . 30379 1 658 . 1 1 54 54 LYS H H 1 8.1490 . . 1 . . . . A 324 LYS H . 30379 1 659 . 1 1 54 54 LYS HA H 1 4.3010 . . 1 . . . . A 324 LYS HA . 30379 1 660 . 1 1 54 54 LYS HB2 H 1 1.8870 . . 2 . . . . A 324 LYS HB2 . 30379 1 661 . 1 1 54 54 LYS HB3 H 1 1.8100 . . 2 . . . . A 324 LYS HB3 . 30379 1 662 . 1 1 54 54 LYS HG2 H 1 1.5030 . . 2 . . . . A 324 LYS HG2 . 30379 1 663 . 1 1 54 54 LYS HG3 H 1 1.4590 . . 2 . . . . A 324 LYS HG3 . 30379 1 664 . 1 1 54 54 LYS HD2 H 1 1.6850 . . 2 . . . . A 324 LYS HD2 . 30379 1 665 . 1 1 54 54 LYS HE2 H 1 2.9890 . . 2 . . . . A 324 LYS HE2 . 30379 1 666 . 1 1 54 54 LYS C C 13 176.8740 . . 1 . . . . A 324 LYS C . 30379 1 667 . 1 1 54 54 LYS CA C 13 56.7360 . . 1 . . . . A 324 LYS CA . 30379 1 668 . 1 1 54 54 LYS CB C 13 33.0000 . . 1 . . . . A 324 LYS CB . 30379 1 669 . 1 1 54 54 LYS CG C 13 24.8050 . . 1 . . . . A 324 LYS CG . 30379 1 670 . 1 1 54 54 LYS CD C 13 29.0740 . . 1 . . . . A 324 LYS CD . 30379 1 671 . 1 1 54 54 LYS CE C 13 42.1970 . . 1 . . . . A 324 LYS CE . 30379 1 672 . 1 1 54 54 LYS N N 15 121.4520 . . 1 . . . . A 324 LYS N . 30379 1 673 . 1 1 55 55 SER H H 1 8.2410 . . 1 . . . . A 325 SER H . 30379 1 674 . 1 1 55 55 SER HA H 1 4.4210 . . 1 . . . . A 325 SER HA . 30379 1 675 . 1 1 55 55 SER HB2 H 1 3.8950 . . 2 . . . . A 325 SER HB2 . 30379 1 676 . 1 1 55 55 SER C C 13 174.3890 . . 1 . . . . A 325 SER C . 30379 1 677 . 1 1 55 55 SER CA C 13 58.6730 . . 1 . . . . A 325 SER CA . 30379 1 678 . 1 1 55 55 SER CB C 13 63.7750 . . 1 . . . . A 325 SER CB . 30379 1 679 . 1 1 55 55 SER N N 15 116.3740 . . 1 . . . . A 325 SER N . 30379 1 680 . 1 1 56 56 ARG H H 1 8.2220 . . 1 . . . . A 326 ARG H . 30379 1 681 . 1 1 56 56 ARG HA H 1 4.3760 . . 1 . . . . A 326 ARG HA . 30379 1 682 . 1 1 56 56 ARG HB2 H 1 1.9210 . . 2 . . . . A 326 ARG HB2 . 30379 1 683 . 1 1 56 56 ARG HB3 H 1 1.7650 . . 2 . . . . A 326 ARG HB3 . 30379 1 684 . 1 1 56 56 ARG HG2 H 1 1.6720 . . 2 . . . . A 326 ARG HG2 . 30379 1 685 . 1 1 56 56 ARG HD2 H 1 3.1970 . . 2 . . . . A 326 ARG HD2 . 30379 1 686 . 1 1 56 56 ARG C C 13 174.9690 . . 1 . . . . A 326 ARG C . 30379 1 687 . 1 1 56 56 ARG CA C 13 55.9880 . . 1 . . . . A 326 ARG CA . 30379 1 688 . 1 1 56 56 ARG CB C 13 30.8270 . . 1 . . . . A 326 ARG CB . 30379 1 689 . 1 1 56 56 ARG CG C 13 26.9230 . . 1 . . . . A 326 ARG CG . 30379 1 690 . 1 1 56 56 ARG CD C 13 43.4540 . . 1 . . . . A 326 ARG CD . 30379 1 691 . 1 1 56 56 ARG N N 15 123.2300 . . 1 . . . . A 326 ARG N . 30379 1 692 . 1 1 57 57 ALA H H 1 7.9430 . . 1 . . . . A 327 ALA H . 30379 1 693 . 1 1 57 57 ALA HA H 1 4.1160 . . 1 . . . . A 327 ALA HA . 30379 1 694 . 1 1 57 57 ALA HB1 H 1 1.3580 . . 1 . . . . A 327 ALA HB1 . 30379 1 695 . 1 1 57 57 ALA HB2 H 1 1.3580 . . 1 . . . . A 327 ALA HB2 . 30379 1 696 . 1 1 57 57 ALA HB3 H 1 1.3580 . . 1 . . . . A 327 ALA HB3 . 30379 1 697 . 1 1 57 57 ALA C C 13 174.5300 . . 1 . . . . A 327 ALA C . 30379 1 698 . 1 1 57 57 ALA CA C 13 53.8330 . . 1 . . . . A 327 ALA CA . 30379 1 699 . 1 1 57 57 ALA CB C 13 20.1800 . . 1 . . . . A 327 ALA CB . 30379 1 700 . 1 1 57 57 ALA N N 15 130.8630 . . 1 . . . . A 327 ALA N . 30379 1 stop_ save_