data_36805 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 36805 _Entry.Title ; Structure of the transmembrane domain dimer of human IL-7R V253G mutant ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-10-27 _Entry.Accession_date 2025-10-27 _Entry.Last_release_date 2026-03-09 _Entry.Original_release_date 2026-03-09 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.0.16 _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 Q. Wang Q. . . . 36805 2 T. Cai T. . . . 36805 3 J. Chou J. J. . . 36805 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID IL-7R . 36805 'IMMUNE SYSTEM' . 36805 'V253G mutation' . 36805 'transmembrane domain dimer' . 36805 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 36805 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 57 36805 '15N chemical shifts' 28 36805 '1H chemical shifts' 28 36805 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2026-06-07 . original BMRB . 36805 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 9XEA 'BMRB Entry Tracking System' 36805 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 36805 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structure of the transmembrane domain dimer of the IL-7R V253G mutant ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Q. Wang Q. . . . 36805 1 2 T. Cai T. . . . 36805 1 3 J. Chou J. J. . . 36805 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 36805 _Assembly.ID 1 _Assembly.Name 'Interleukin-7 receptor subunit alpha' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 'all disulfide bound' _Assembly.Molecular_mass 13708.676 _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 1 $entity_1 A A yes . . . A 'IL-7 receptor subunit alpha,IL-7R subunit alpha,IL-7R-alpha,IL-7RA,CDw127' . 36805 1 2 entity_1_2 1 $entity_1 B B . . . . A 'IL-7 receptor subunit alpha,IL-7R subunit alpha,IL-7R-alpha,IL-7RA,CDw127' . 36805 1 stop_ loop_ _Chem_comp_assembly.Assembly_chem_comp_ID _Chem_comp_assembly.Entity_assembly_ID _Chem_comp_assembly.Entity_ID _Chem_comp_assembly.Comp_index_ID _Chem_comp_assembly.Comp_ID _Chem_comp_assembly.Seq_ID _Chem_comp_assembly.Auth_entity_assembly_ID _Chem_comp_assembly.Auth_asym_ID _Chem_comp_assembly.Auth_seq_ID _Chem_comp_assembly.Auth_comp_ID _Chem_comp_assembly.Auth_variant_ID _Chem_comp_assembly.Sequence_linking _Chem_comp_assembly.Cis_residue _Chem_comp_assembly.NEF_index _Chem_comp_assembly.Entry_ID _Chem_comp_assembly.Assembly_ID . 1 1 1 GLY 1 . A 236 GLY . start no . 36805 1 . 1 1 10 ILE 10 . A 245 ILE . middle . . 36805 1 . 1 1 11 SER 11 . A 246 SER . middle . . 36805 1 . 1 1 12 ILE 12 . A 247 ILE . middle . . 36805 1 . 1 1 13 LEU 13 . A 248 LEU . middle . . 36805 1 . 1 1 14 SER 14 . A 249 SER . middle . . 36805 1 . 1 1 15 PHE 15 . A 250 PHE . middle . . 36805 1 . 1 1 16 PHE 16 . A 251 PHE . middle . . 36805 1 . 1 1 17 SER 17 . A 252 SER . middle . . 36805 1 . 1 1 18 GLY 18 . A 253 GLY . middle no . 36805 1 . 1 1 19 ALA 19 . A 254 ALA . middle . . 36805 1 . 1 1 2 GLU 2 . A 237 GLU . middle . . 36805 1 . 1 1 20 LEU 20 . A 255 LEU . middle . . 36805 1 . 1 1 21 LEU 21 . A 256 LEU . middle . . 36805 1 . 1 1 22 VAL 22 . A 257 VAL . middle . . 36805 1 . 1 1 23 ILE 23 . A 258 ILE . middle . . 36805 1 . 1 1 24 LEU 24 . A 259 LEU . middle . . 36805 1 . 1 1 25 ALA 25 . A 260 ALA . middle . . 36805 1 . 1 1 26 HIS 26 . A 261 HIS . middle . . 36805 1 . 1 1 27 VAL 27 . A 262 VAL . middle . . 36805 1 . 1 1 28 LEU 28 . A 263 LEU . middle . . 36805 1 . 1 1 29 TRP 29 . A 264 TRP . middle . . 36805 1 . 1 1 3 LYS 3 . A 238 LYS . middle . . 36805 1 . 1 1 30 LYS 30 . A 265 LYS . middle . . 36805 1 . 1 1 31 LYS 31 . A 266 LYS . end . . 36805 1 . 1 1 4 ASP 4 . A 239 ASP . middle . . 36805 1 . 1 1 5 PRO 5 . A 240 PRO . middle no . 36805 1 . 1 1 6 ILE 6 . A 241 ILE . middle . . 36805 1 . 1 1 7 LEU 7 . A 242 LEU . middle . . 36805 1 . 1 1 8 LEU 8 . A 243 LEU . middle . . 36805 1 . 1 1 9 THR 9 . A 244 THR . middle . . 36805 1 . 2 1 1 GLY 1 . B 236 GLY . start no . 36805 1 . 2 1 10 ILE 10 . B 245 ILE . middle . . 36805 1 . 2 1 11 SER 11 . B 246 SER . middle . . 36805 1 . 2 1 12 ILE 12 . B 247 ILE . middle . . 36805 1 . 2 1 13 LEU 13 . B 248 LEU . middle . . 36805 1 . 2 1 14 SER 14 . B 249 SER . middle . . 36805 1 . 2 1 15 PHE 15 . B 250 PHE . middle . . 36805 1 . 2 1 16 PHE 16 . B 251 PHE . middle . . 36805 1 . 2 1 17 SER 17 . B 252 SER . middle . . 36805 1 . 2 1 18 GLY 18 . B 253 GLY . middle no . 36805 1 . 2 1 19 ALA 19 . B 254 ALA . middle . . 36805 1 . 2 1 2 GLU 2 . B 237 GLU . middle . . 36805 1 . 2 1 20 LEU 20 . B 255 LEU . middle . . 36805 1 . 2 1 21 LEU 21 . B 256 LEU . middle . . 36805 1 . 2 1 22 VAL 22 . B 257 VAL . middle . . 36805 1 . 2 1 23 ILE 23 . B 258 ILE . middle . . 36805 1 . 2 1 24 LEU 24 . B 259 LEU . middle . . 36805 1 . 2 1 25 ALA 25 . B 260 ALA . middle . . 36805 1 . 2 1 26 HIS 26 . B 261 HIS . middle . . 36805 1 . 2 1 27 VAL 27 . B 262 VAL . middle . . 36805 1 . 2 1 28 LEU 28 . B 263 LEU . middle . . 36805 1 . 2 1 29 TRP 29 . B 264 TRP . middle . . 36805 1 . 2 1 3 LYS 3 . B 238 LYS . middle . . 36805 1 . 2 1 30 LYS 30 . B 265 LYS . middle . . 36805 1 . 2 1 31 LYS 31 . B 266 LYS . end . . 36805 1 . 2 1 4 ASP 4 . B 239 ASP . middle . . 36805 1 . 2 1 5 PRO 5 . B 240 PRO . middle no . 36805 1 . 2 1 6 ILE 6 . B 241 ILE . middle . . 36805 1 . 2 1 7 LEU 7 . B 242 LEU . middle . . 36805 1 . 2 1 8 LEU 8 . B 243 LEU . middle . . 36805 1 . 2 1 9 THR 9 . B 244 THR . middle . . 36805 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 36805 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Interleukin-7 receptor subunit alpha' _Entity.Type polymer _Entity.Polymer_common_type protein _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GEKDPILLTISILSFFSGAL LVILAHVLWKK ; _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 62 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation V253G _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3427.169 _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 'IL-7 receptor subunit alpha,IL-7R subunit alpha,IL-7R-alpha,IL-7RA,CDw127' common 36805 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 1 236 GLY . 36805 1 2 237 GLU . 36805 1 3 238 LYS . 36805 1 4 239 ASP . 36805 1 5 240 PRO . 36805 1 6 241 ILE . 36805 1 7 242 LEU . 36805 1 8 243 LEU . 36805 1 9 244 THR . 36805 1 10 245 ILE . 36805 1 11 246 SER . 36805 1 12 247 ILE . 36805 1 13 248 LEU . 36805 1 14 249 SER . 36805 1 15 250 PHE . 36805 1 16 251 PHE . 36805 1 17 252 SER . 36805 1 18 253 GLY . 36805 1 19 254 ALA . 36805 1 20 255 LEU . 36805 1 21 256 LEU . 36805 1 22 257 VAL . 36805 1 23 258 ILE . 36805 1 24 259 LEU . 36805 1 25 260 ALA . 36805 1 26 261 HIS . 36805 1 27 262 VAL . 36805 1 28 263 LEU . 36805 1 29 264 TRP . 36805 1 30 265 LYS . 36805 1 31 266 LYS . 36805 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 36805 1 . GLU 2 2 36805 1 . LYS 3 3 36805 1 . ASP 4 4 36805 1 . PRO 5 5 36805 1 . ILE 6 6 36805 1 . LEU 7 7 36805 1 . LEU 8 8 36805 1 . THR 9 9 36805 1 . ILE 10 10 36805 1 . SER 11 11 36805 1 . ILE 12 12 36805 1 . LEU 13 13 36805 1 . SER 14 14 36805 1 . PHE 15 15 36805 1 . PHE 16 16 36805 1 . SER 17 17 36805 1 . GLY 18 18 36805 1 . ALA 19 19 36805 1 . LEU 20 20 36805 1 . LEU 21 21 36805 1 . VAL 22 22 36805 1 . ILE 23 23 36805 1 . LEU 24 24 36805 1 . ALA 25 25 36805 1 . HIS 26 26 36805 1 . VAL 27 27 36805 1 . LEU 28 28 36805 1 . TRP 29 29 36805 1 . LYS 30 30 36805 1 . LYS 31 31 36805 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 36805 _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 . . . . . . . . . . . IL7R . 36805 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 36805 _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' 'E. coli' . 562 Escherichia coli . . . . . . . . . . 36805 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 36805 _Sample.ID 1 _Sample.Name . _Sample.Type bicelle _Sample.Sub_type . _Sample.Details ; 0.6 mM [U-100% 13C; U-100% 15N; U-85% 2H] The transmembrane domain of the IL-7R-V253G dimer, 60 mM POPC, 150 mM DHPC, 25 mM MES, 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 'The transmembrane domain of the IL-7R-V253G dimer' '[U-100% 13C; U-100% 15N; U-85% 2H]' 1 $assembly 1 $entity_1 . protein 0.6 . . mM 0.05 . . . 36805 1 2 DHPC 'natural abundance' . . . . . detergent 150 . . mM 5 . . . 36805 1 3 POPC 'natural abundance' . . . . . detergent 60 . . mM 5 . . . 36805 1 4 MES 'natural abundance' . . . . . buffer 25 . . mM 1 . . . 36805 1 5 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 36805 1 6 D2O [U-2H] . . . . . solvent 10 . . % . . . . 36805 1 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 36805 _Sample.ID 2 _Sample.Name . _Sample.Type bicelle _Sample.Sub_type . _Sample.Details ; 0.6 mM [U-13C; U-15N] Transmembrane domain of the IL-7R V253G mutant, 60 mM deuterated Deuterated POPC, 150 mM deuterated Deuterated DHPC, 25 mM MES, 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 'Transmembrane domain of the IL-7R V253G mutant' '[U-13C; U-15N]' 1 $assembly 1 $entity_1 . protein 0.6 . . mM 0.05 . . . 36805 2 2 'Deuterated DHPC' [U-2H] . . . . . detergent 150 . . mM 5 . . . 36805 2 3 'Deuterated POPC' [U-2H] . . . . . detergent 60 . . mM 5 . . . 36805 2 4 MES 'natural abundance' . . . . . buffer 25 . . mM 1 . . . 36805 2 5 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 36805 2 6 D2O [U-2H] . . . . . solvent 10 . . % . . . . 36805 2 stop_ save_ save_sample_7 _Sample.Sf_category sample _Sample.Sf_framecode sample_7 _Sample.Entry_ID 36805 _Sample.ID 3 _Sample.Name . _Sample.Type bicelle _Sample.Sub_type . _Sample.Details ; 0.4 mM [U-15N; U-2H] Transmembrane domain of the IL-7R V253G mutant, 0.4 mM [U-13C] Transmembrane domain of the IL-7R V253G mutant, 60 mM deuterated Deuterated POPC, 150 mM deuterated Deuterated DHPC, 25 mM MES, 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 'Transmembrane domain of the IL-7R V253G mutant' '[U-13C; U-15N; U-2H]' 1 $assembly 1 $entity_1 . protein 0.4 . . mM 0.05 . . . 36805 3 2 'Deuterated DHPC' [U-2H] . . . . . detergent 150 . . mM 5 . . . 36805 3 3 'Deuterated POPC' [U-2H] . . . . . detergent 60 . . mM 5 . . . 36805 3 4 MES 'natural abundance' . . . . . buffer 25 . . mM 1 . . . 36805 3 5 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 36805 3 6 D2O [U-2H] . . . . . solvent 10 . . % . . . . 36805 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_3 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_3 _Sample_condition_list.Entry_ID 36805 _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' 25 1 mM 36805 1 pH 6.5 . pH 36805 1 pressure 1 . atm 36805 1 temperature 306 0.1 K 36805 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 36805 _Software.ID 1 _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' . . 36805 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 36805 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 36805 _Software.ID 2 _Software.Type . _Software.Name TALOS+ _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Shen, Delaglio, Cornilescu, Bax' . . 36805 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 36805 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 36805 _Software.ID 3 _Software.Type . _Software.Name XEASY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 36805 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 36805 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 36805 _Software.ID 4 _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' . . 36805 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 36805 4 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 36805 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 36805 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list_1 _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list_1 _NMR_spectrometer_list.Entry_ID 36805 _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 III' . 600 . . . 36805 1 2 NMR_spectrometer_2 Bruker 'AVANCE III' . 900 . . . 36805 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 36805 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N TROSY-HSQC' no . . . . . . . . . . . . 5 $sample_5 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36805 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . . . 6 $sample_6 isotropic . . 3 $sample_conditions_3 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36805 1 3 '3D TROSY HNCA' no . . . . . . . . . . . . 5 $sample_5 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36805 1 4 '3D TROSY HN(CO)CA' no . . . . . . . . . . . . 5 $sample_5 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36805 1 5 '3D TROSY HNCO' no . . . . . . . . . . . . 5 $sample_5 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36805 1 6 '3D 1H-13C NOESY' no . . . . . . . . . . . . 6 $sample_6 isotropic . . 3 $sample_conditions_3 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36805 1 7 '3D 1H-15N NOESY-TROSY' no . . . . . . . . . . . . 6 $sample_6 isotropic . . 3 $sample_conditions_3 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36805 1 8 '3D 1H-15N NOESY-TROSY' no . . . . . . . . . . . . 7 $sample_7 isotropic . . 3 $sample_conditions_3 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36805 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 36805 _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 0.000 external indirect 0.251449530 . . . . . 36805 1 H 1 DSS protons . . . . ppm 0.000 external direct 1.0 . . . . . 36805 1 N 15 DSS nitrogen . . . . ppm 0.000 external indirect 0.101329118 . . . . . 36805 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 36805 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_3 _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 TROSY-HSQC' 5 $sample_5 isotropic 36805 1 2 '2D 1H-13C HSQC' 6 $sample_6 isotropic 36805 1 3 '3D TROSY HNCA' 5 $sample_5 isotropic 36805 1 4 '3D TROSY HN(CO)CA' 5 $sample_5 isotropic 36805 1 5 '3D TROSY HNCO' 5 $sample_5 isotropic 36805 1 6 '3D 1H-13C NOESY' 6 $sample_6 isotropic 36805 1 7 '3D 1H-15N NOESY-TROSY' 6 $sample_6 isotropic 36805 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $software_3 . . 36805 1 4 $software_4 . . 36805 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 2 2 GLU C C 13 176.74 0.050 . 1 . . . . A 237 GLU C . 36805 1 2 . 1 . 1 2 2 GLU CA C 13 56.93 0.050 . 1 . . . . A 237 GLU CA . 36805 1 3 . 1 . 1 3 3 LYS H H 1 8.54 0.010 . 1 . . . . A 238 LYS H . 36805 1 4 . 1 . 1 3 3 LYS C C 13 176.13 0.050 . 1 . . . . A 238 LYS C . 36805 1 5 . 1 . 1 3 3 LYS CA C 13 55.40 0.050 . 1 . . . . A 238 LYS CA . 36805 1 6 . 1 . 1 3 3 LYS N N 15 120.58 0.030 . 1 . . . . A 238 LYS N . 36805 1 7 . 1 . 1 4 4 ASP H H 1 8.08 0.010 . 1 . . . . A 239 ASP H . 36805 1 8 . 1 . 1 4 4 ASP CA C 13 53.87 0.050 . 1 . . . . A 239 ASP CA . 36805 1 9 . 1 . 1 4 4 ASP N N 15 122.66 0.030 . 1 . . . . A 239 ASP N . 36805 1 10 . 1 . 1 5 5 PRO C C 13 178.93 0.050 . 1 . . . . A 240 PRO C . 36805 1 11 . 1 . 1 5 5 PRO CA C 13 64.66 0.050 . 1 . . . . A 240 PRO CA . 36805 1 12 . 1 . 1 6 6 ILE H H 1 8.07 0.010 . 1 . . . . A 241 ILE H . 36805 1 13 . 1 . 1 6 6 ILE C C 13 177.04 0.050 . 1 . . . . A 241 ILE C . 36805 1 14 . 1 . 1 6 6 ILE CA C 13 64.04 0.050 . 1 . . . . A 241 ILE CA . 36805 1 15 . 1 . 1 6 6 ILE N N 15 121.77 0.030 . 1 . . . . A 241 ILE N . 36805 1 16 . 1 . 1 7 7 LEU H H 1 7.85 0.010 . 1 . . . . A 242 LEU H . 36805 1 17 . 1 . 1 7 7 LEU C C 13 179.72 0.050 . 1 . . . . A 242 LEU C . 36805 1 18 . 1 . 1 7 7 LEU CA C 13 58.12 0.050 . 1 . . . . A 242 LEU CA . 36805 1 19 . 1 . 1 7 7 LEU N N 15 121.99 0.030 . 1 . . . . A 242 LEU N . 36805 1 20 . 1 . 1 8 8 LEU H H 1 8.25 0.010 . 1 . . . . A 243 LEU H . 36805 1 21 . 1 . 1 8 8 LEU C C 13 178.15 0.050 . 1 . . . . A 243 LEU C . 36805 1 22 . 1 . 1 8 8 LEU CA C 13 58.10 0.050 . 1 . . . . A 243 LEU CA . 36805 1 23 . 1 . 1 8 8 LEU N N 15 119.39 0.030 . 1 . . . . A 243 LEU N . 36805 1 24 . 1 . 1 9 9 THR H H 1 7.84 0.010 . 1 . . . . A 244 THR H . 36805 1 25 . 1 . 1 9 9 THR C C 13 176.31 0.050 . 1 . . . . A 244 THR C . 36805 1 26 . 1 . 1 9 9 THR CA C 13 68.09 0.050 . 1 . . . . A 244 THR CA . 36805 1 27 . 1 . 1 9 9 THR N N 15 116.35 0.030 . 1 . . . . A 244 THR N . 36805 1 28 . 1 . 1 10 10 ILE H H 1 8.51 0.010 . 1 . . . . A 245 ILE H . 36805 1 29 . 1 . 1 10 10 ILE C C 13 179.67 0.050 . 1 . . . . A 245 ILE C . 36805 1 30 . 1 . 1 10 10 ILE CA C 13 64.55 0.050 . 1 . . . . A 245 ILE CA . 36805 1 31 . 1 . 1 10 10 ILE N N 15 119.91 0.030 . 1 . . . . A 245 ILE N . 36805 1 32 . 1 . 1 11 11 SER H H 1 8.28 0.010 . 1 . . . . A 246 SER H . 36805 1 33 . 1 . 1 11 11 SER C C 13 176.31 0.050 . 1 . . . . A 246 SER C . 36805 1 34 . 1 . 1 11 11 SER CA C 13 62.80 0.050 . 1 . . . . A 246 SER CA . 36805 1 35 . 1 . 1 11 11 SER N N 15 119.91 0.030 . 1 . . . . A 246 SER N . 36805 1 36 . 1 . 1 12 12 ILE H H 1 8.24 0.010 . 1 . . . . A 247 ILE H . 36805 1 37 . 1 . 1 12 12 ILE C C 13 178.11 0.050 . 1 . . . . A 247 ILE C . 36805 1 38 . 1 . 1 12 12 ILE CA C 13 65.26 0.050 . 1 . . . . A 247 ILE CA . 36805 1 39 . 1 . 1 12 12 ILE N N 15 121.40 0.030 . 1 . . . . A 247 ILE N . 36805 1 40 . 1 . 1 13 13 LEU H H 1 8.46 0.010 . 1 . . . . A 248 LEU H . 36805 1 41 . 1 . 1 13 13 LEU C C 13 180.39 0.050 . 1 . . . . A 248 LEU C . 36805 1 42 . 1 . 1 13 13 LEU CA C 13 58.01 0.050 . 1 . . . . A 248 LEU CA . 36805 1 43 . 1 . 1 13 13 LEU N N 15 118.87 0.030 . 1 . . . . A 248 LEU N . 36805 1 44 . 1 . 1 14 14 SER H H 1 8.51 0.010 . 1 . . . . A 249 SER H . 36805 1 45 . 1 . 1 14 14 SER C C 13 175.27 0.050 . 1 . . . . A 249 SER C . 36805 1 46 . 1 . 1 14 14 SER CA C 13 63.43 0.050 . 1 . . . . A 249 SER CA . 36805 1 47 . 1 . 1 14 14 SER N N 15 118.72 0.030 . 1 . . . . A 249 SER N . 36805 1 48 . 1 . 1 15 15 PHE H H 1 8.44 0.010 . 1 . . . . A 250 PHE H . 36805 1 49 . 1 . 1 15 15 PHE C C 13 177.51 0.050 . 1 . . . . A 250 PHE C . 36805 1 50 . 1 . 1 15 15 PHE CA C 13 60.58 0.050 . 1 . . . . A 250 PHE CA . 36805 1 51 . 1 . 1 15 15 PHE N N 15 124.66 0.030 . 1 . . . . A 250 PHE N . 36805 1 52 . 1 . 1 16 16 PHE H H 1 8.49 0.010 . 1 . . . . A 251 PHE H . 36805 1 53 . 1 . 1 16 16 PHE C C 13 177.47 0.050 . 1 . . . . A 251 PHE C . 36805 1 54 . 1 . 1 16 16 PHE CA C 13 61.12 0.050 . 1 . . . . A 251 PHE CA . 36805 1 55 . 1 . 1 16 16 PHE N N 15 116.35 0.030 . 1 . . . . A 251 PHE N . 36805 1 56 . 1 . 1 17 17 SER H H 1 8.15 0.010 . 1 . . . . A 252 SER H . 36805 1 57 . 1 . 1 17 17 SER C C 13 174.89 0.050 . 1 . . . . A 252 SER C . 36805 1 58 . 1 . 1 17 17 SER CA C 13 63.82 0.050 . 1 . . . . A 252 SER CA . 36805 1 59 . 1 . 1 17 17 SER N N 15 116.79 0.030 . 1 . . . . A 252 SER N . 36805 1 60 . 1 . 1 18 18 GLY H H 1 7.83 0.010 . 1 . . . . A 253 GLY H . 36805 1 61 . 1 . 1 18 18 GLY C C 13 174.59 0.050 . 1 . . . . A 253 GLY C . 36805 1 62 . 1 . 1 18 18 GLY CA C 13 46.53 0.050 . 1 . . . . A 253 GLY CA . 36805 1 63 . 1 . 1 18 18 GLY N N 15 110.93 0.030 . 1 . . . . A 253 GLY N . 36805 1 64 . 1 . 1 19 19 ALA H H 1 7.10 0.010 . 1 . . . . A 254 ALA H . 36805 1 65 . 1 . 1 19 19 ALA CA C 13 54.19 0.050 . 1 . . . . A 254 ALA CA . 36805 1 66 . 1 . 1 19 19 ALA N N 15 121.17 0.030 . 1 . . . . A 254 ALA N . 36805 1 67 . 1 . 1 20 20 LEU H H 1 8.36 0.010 . 1 . . . . A 255 LEU H . 36805 1 68 . 1 . 1 20 20 LEU C C 13 178.45 0.050 . 1 . . . . A 255 LEU C . 36805 1 69 . 1 . 1 20 20 LEU CA C 13 57.31 0.050 . 1 . . . . A 255 LEU CA . 36805 1 70 . 1 . 1 20 20 LEU N N 15 116.42 0.030 . 1 . . . . A 255 LEU N . 36805 1 71 . 1 . 1 21 21 LEU H H 1 8.08 0.010 . 1 . . . . A 256 LEU H . 36805 1 72 . 1 . 1 21 21 LEU C C 13 178.02 0.050 . 1 . . . . A 256 LEU C . 36805 1 73 . 1 . 1 21 21 LEU CA C 13 58.13 0.050 . 1 . . . . A 256 LEU CA . 36805 1 74 . 1 . 1 21 21 LEU N N 15 119.17 0.030 . 1 . . . . A 256 LEU N . 36805 1 75 . 1 . 1 22 22 VAL H H 1 7.05 0.010 . 1 . . . . A 257 VAL H . 36805 1 76 . 1 . 1 22 22 VAL C C 13 177.72 0.050 . 1 . . . . A 257 VAL C . 36805 1 77 . 1 . 1 22 22 VAL CA C 13 66.36 0.050 . 1 . . . . A 257 VAL CA . 36805 1 78 . 1 . 1 22 22 VAL N N 15 116.57 0.030 . 1 . . . . A 257 VAL N . 36805 1 79 . 1 . 1 23 23 ILE H H 1 7.77 0.010 . 1 . . . . A 258 ILE H . 36805 1 80 . 1 . 1 23 23 ILE C C 13 177.85 0.050 . 1 . . . . A 258 ILE C . 36805 1 81 . 1 . 1 23 23 ILE CA C 13 65.41 0.050 . 1 . . . . A 258 ILE CA . 36805 1 82 . 1 . 1 23 23 ILE N N 15 120.58 0.030 . 1 . . . . A 258 ILE N . 36805 1 83 . 1 . 1 24 24 LEU H H 1 8.66 0.010 . 1 . . . . A 259 LEU H . 36805 1 84 . 1 . 1 24 24 LEU C C 13 178.20 0.050 . 1 . . . . A 259 LEU C . 36805 1 85 . 1 . 1 24 24 LEU CA C 13 57.64 0.050 . 1 . . . . A 259 LEU CA . 36805 1 86 . 1 . 1 24 24 LEU N N 15 118.95 0.030 . 1 . . . . A 259 LEU N . 36805 1 87 . 1 . 1 25 25 ALA H H 1 8.24 0.010 . 1 . . . . A 260 ALA H . 36805 1 88 . 1 . 1 25 25 ALA C C 13 178.33 0.050 . 1 . . . . A 260 ALA C . 36805 1 89 . 1 . 1 25 25 ALA CA C 13 54.96 0.050 . 1 . . . . A 260 ALA CA . 36805 1 90 . 1 . 1 25 25 ALA N N 15 120.65 0.030 . 1 . . . . A 260 ALA N . 36805 1 91 . 1 . 1 26 26 HIS H H 1 7.94 0.010 . 1 . . . . A 261 HIS H . 36805 1 92 . 1 . 1 26 26 HIS C C 13 177.16 0.050 . 1 . . . . A 261 HIS C . 36805 1 93 . 1 . 1 26 26 HIS CA C 13 59.42 0.050 . 1 . . . . A 261 HIS CA . 36805 1 94 . 1 . 1 26 26 HIS N N 15 115.31 0.030 . 1 . . . . A 261 HIS N . 36805 1 95 . 1 . 1 27 27 VAL H H 1 8.02 0.010 . 1 . . . . A 262 VAL H . 36805 1 96 . 1 . 1 27 27 VAL C C 13 177.51 0.050 . 1 . . . . A 262 VAL C . 36805 1 97 . 1 . 1 27 27 VAL CA C 13 64.91 0.050 . 1 . . . . A 262 VAL CA . 36805 1 98 . 1 . 1 27 27 VAL N N 15 116.72 0.030 . 1 . . . . A 262 VAL N . 36805 1 99 . 1 . 1 28 28 LEU H H 1 7.99 0.010 . 1 . . . . A 263 LEU H . 36805 1 100 . 1 . 1 28 28 LEU C C 13 177.42 0.050 . 1 . . . . A 263 LEU C . 36805 1 101 . 1 . 1 28 28 LEU CA C 13 56.06 0.050 . 1 . . . . A 263 LEU CA . 36805 1 102 . 1 . 1 28 28 LEU N N 15 117.91 0.030 . 1 . . . . A 263 LEU N . 36805 1 103 . 1 . 1 29 29 TRP H H 1 7.77 0.010 . 1 . . . . A 264 TRP H . 36805 1 104 . 1 . 1 29 29 TRP C C 13 175.75 0.050 . 1 . . . . A 264 TRP C . 36805 1 105 . 1 . 1 29 29 TRP CA C 13 57.95 0.050 . 1 . . . . A 264 TRP CA . 36805 1 106 . 1 . 1 29 29 TRP N N 15 119.76 0.030 . 1 . . . . A 264 TRP N . 36805 1 107 . 1 . 1 30 30 LYS H H 1 7.54 0.010 . 1 . . . . A 265 LYS H . 36805 1 108 . 1 . 1 30 30 LYS C C 13 175.32 0.050 . 1 . . . . A 265 LYS C . 36805 1 109 . 1 . 1 30 30 LYS CA C 13 56.06 0.050 . 1 . . . . A 265 LYS CA . 36805 1 110 . 1 . 1 30 30 LYS N N 15 122.14 0.030 . 1 . . . . A 265 LYS N . 36805 1 111 . 1 . 1 31 31 LYS H H 1 7.66 0.010 . 1 . . . . A 266 LYS H . 36805 1 112 . 1 . 1 31 31 LYS CA C 13 57.37 0.050 . 1 . . . . A 266 LYS CA . 36805 1 113 . 1 . 1 31 31 LYS N N 15 128.08 0.030 . 1 . . . . A 266 LYS N . 36805 1 stop_ save_