data_25079 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25079 _Entry.Title ; Assignment of the transmembrane domain of the erythropoietin receptor ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-07-05 _Entry.Accession_date 2014-07-05 _Entry.Last_release_date 2014-12-08 _Entry.Original_release_date 2014-12-08 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Qingxin Li . . . 25079 2 'Ying Lei' Wong . . . 25079 3 Qiwei Huang . . . 25079 4 Congbao Kang . . . 25079 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25079 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 90 25079 '1H chemical shifts' 170 25079 '15N chemical shifts' 42 25079 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 . . 2014-12-08 2014-07-05 original author . 25079 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MRH 'BMRB Entry Tracking System' 25079 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25079 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25418301 _Citation.Full_citation . _Citation.Title 'Structural insight into the transmembrane domain and the juxtamembrane region of the erythropoietin receptor in micelles' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biophys. J.' _Citation.Journal_name_full . _Citation.Journal_volume 107 _Citation.Journal_issue 10 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 2325 _Citation.Page_last 2336 _Citation.Year 2014 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Qingxin Li . . . 25079 1 2 'Ying Lei' Wong . . . 25079 1 3 Qiwei Huang . . . 25079 1 4 congbao kang . . . 25079 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'NMR assignment' 25079 1 'membrane protein' 25079 1 'Erythropoietin receptor' 25079 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25079 _Assembly.ID 1 _Assembly.Name 'human EpoR' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 'human Epo' 1 $human_EpoR A . yes native no no . . . 25079 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_human_EpoR _Entity.Sf_category entity _Entity.Sf_framecode human_EpoR _Entity.Entry_ID 25079 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name human_EpoR _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MSEPVSLLTPSDLDPLILTL SLILVVILVLLTVLALLSHR RALKQKIWPHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 55 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2MV6 . "Solution Structure Of The Transmembrane Domain And The Juxta-membrane Domain Of The Erythropoietin Receptor In Micelles" . . . . . 89.09 49 100.00 100.00 1.97e-21 . . . . 25079 1 2 no DBJ BAG37561 . "unnamed protein product [Homo sapiens]" . . . . . 87.27 508 100.00 100.00 1.27e-06 . . . . 25079 1 3 no DBJ BAI45971 . "erythropoietin receptor [synthetic construct]" . . . . . 87.27 508 100.00 100.00 1.27e-06 . . . . 25079 1 4 no GB AAA52401 . "erythropoietin receptor precursor [Homo sapiens]" . . . . . 87.27 508 100.00 100.00 1.27e-06 . . . . 25079 1 5 no GB AAA52403 . "erythropoietin receptor [Homo sapiens]" . . . . . 87.27 508 100.00 100.00 1.27e-06 . . . . 25079 1 6 no GB AAB23271 . "erythropoietin receptor [Homo sapiens]" . . . . . 87.27 508 100.00 100.00 1.27e-06 . . . . 25079 1 7 no GB AAI12154 . "Erythropoietin receptor [Homo sapiens]" . . . . . 87.27 508 100.00 100.00 1.27e-06 . . . . 25079 1 8 no GB AFM52330 . "truncated EPOR [Homo sapiens]" . . . . . 87.27 442 100.00 100.00 1.04e-06 . . . . 25079 1 9 no REF NP_000112 . "erythropoietin receptor precursor [Homo sapiens]" . . . . . 87.27 508 100.00 100.00 1.27e-06 . . . . 25079 1 10 no REF XP_001105833 . "PREDICTED: erythropoietin receptor [Macaca mulatta]" . . . . . 87.27 508 97.92 100.00 9.64e-04 . . . . 25079 1 11 no REF XP_002828735 . "PREDICTED: erythropoietin receptor isoform X1 [Pongo abelii]" . . . . . 87.27 508 97.92 100.00 7.97e-04 . . . . 25079 1 12 no REF XP_003830541 . "PREDICTED: erythropoietin receptor [Pan paniscus]" . . . . . 87.27 508 97.92 100.00 7.97e-04 . . . . 25079 1 13 no REF XP_004060086 . "PREDICTED: erythropoietin receptor [Gorilla gorilla gorilla]" . . . . . 87.27 508 97.92 100.00 8.60e-04 . . . . 25079 1 14 no SP P19235 . "RecName: Full=Erythropoietin receptor; Short=EPO-R; Flags: Precursor" . . . . . 87.27 508 100.00 100.00 1.27e-06 . . . . 25079 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 25079 1 2 2 SER . 25079 1 3 3 GLU . 25079 1 4 4 PRO . 25079 1 5 5 VAL . 25079 1 6 6 SER . 25079 1 7 7 LEU . 25079 1 8 8 LEU . 25079 1 9 9 THR . 25079 1 10 10 PRO . 25079 1 11 11 SER . 25079 1 12 12 ASP . 25079 1 13 13 LEU . 25079 1 14 14 ASP . 25079 1 15 15 PRO . 25079 1 16 16 LEU . 25079 1 17 17 ILE . 25079 1 18 18 LEU . 25079 1 19 19 THR . 25079 1 20 20 LEU . 25079 1 21 21 SER . 25079 1 22 22 LEU . 25079 1 23 23 ILE . 25079 1 24 24 LEU . 25079 1 25 25 VAL . 25079 1 26 26 VAL . 25079 1 27 27 ILE . 25079 1 28 28 LEU . 25079 1 29 29 VAL . 25079 1 30 30 LEU . 25079 1 31 31 LEU . 25079 1 32 32 THR . 25079 1 33 33 VAL . 25079 1 34 34 LEU . 25079 1 35 35 ALA . 25079 1 36 36 LEU . 25079 1 37 37 LEU . 25079 1 38 38 SER . 25079 1 39 39 HIS . 25079 1 40 40 ARG . 25079 1 41 41 ARG . 25079 1 42 42 ALA . 25079 1 43 43 LEU . 25079 1 44 44 LYS . 25079 1 45 45 GLN . 25079 1 46 46 LYS . 25079 1 47 47 ILE . 25079 1 48 48 TRP . 25079 1 49 49 PRO . 25079 1 50 50 HIS . 25079 1 51 51 HIS . 25079 1 52 52 HIS . 25079 1 53 53 HIS . 25079 1 54 54 HIS . 25079 1 55 55 HIS . 25079 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 25079 1 . SER 2 2 25079 1 . GLU 3 3 25079 1 . PRO 4 4 25079 1 . VAL 5 5 25079 1 . SER 6 6 25079 1 . LEU 7 7 25079 1 . LEU 8 8 25079 1 . THR 9 9 25079 1 . PRO 10 10 25079 1 . SER 11 11 25079 1 . ASP 12 12 25079 1 . LEU 13 13 25079 1 . ASP 14 14 25079 1 . PRO 15 15 25079 1 . LEU 16 16 25079 1 . ILE 17 17 25079 1 . LEU 18 18 25079 1 . THR 19 19 25079 1 . LEU 20 20 25079 1 . SER 21 21 25079 1 . LEU 22 22 25079 1 . ILE 23 23 25079 1 . LEU 24 24 25079 1 . VAL 25 25 25079 1 . VAL 26 26 25079 1 . ILE 27 27 25079 1 . LEU 28 28 25079 1 . VAL 29 29 25079 1 . LEU 30 30 25079 1 . LEU 31 31 25079 1 . THR 32 32 25079 1 . VAL 33 33 25079 1 . LEU 34 34 25079 1 . ALA 35 35 25079 1 . LEU 36 36 25079 1 . LEU 37 37 25079 1 . SER 38 38 25079 1 . HIS 39 39 25079 1 . ARG 40 40 25079 1 . ARG 41 41 25079 1 . ALA 42 42 25079 1 . LEU 43 43 25079 1 . LYS 44 44 25079 1 . GLN 45 45 25079 1 . LYS 46 46 25079 1 . ILE 47 47 25079 1 . TRP 48 48 25079 1 . PRO 49 49 25079 1 . HIS 50 50 25079 1 . HIS 51 51 25079 1 . HIS 52 52 25079 1 . HIS 53 53 25079 1 . HIS 54 54 25079 1 . HIS 55 55 25079 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 25079 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $human_EpoR . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 25079 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 25079 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $human_EpoR . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21DE3 . . . . . . . . . . . . . . . pET29b . . . . . . 25079 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N _Sample.Sf_category sample _Sample.Sf_framecode 15N _Sample.Entry_ID 25079 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM sodium phosphate, pH6.5, 200 mM DPC.' _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 'human EpoR' '[U-100% 15N]' . . 1 $human_EpoR . . 0.5 . . mM . . . . 25079 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25079 1 3 DPC 'natural abundance' . . . . . . 200 . . mM . . . . 25079 1 4 H20 'natural abundance' . . . . . . 90 . . % . . . . 25079 1 5 D20 'natural abundance' . . . . . . 10 . . % . . . . 25079 1 stop_ save_ save_13C-15N _Sample.Sf_category sample _Sample.Sf_framecode 13C-15N _Sample.Entry_ID 25079 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'human EpoR' '[U-100% 13C; U-100% 15N]' . . 1 $human_EpoR . . . 0.2 0.8 mM . . . . 25079 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25079 2 3 DPC 'natural abundance' . . . . . . 200 . . mM . . . . 25079 2 4 H20 'natural abundance' . . . . . . 90 . . % . . . . 25079 2 5 D20 'natural abundance' . . . . . . 10 . . % . . . . 25079 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 25079 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'human EpoR' '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $human_EpoR . . 0.5 . . mM . . . . 25079 3 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25079 3 3 DPC 'natural abundance' . . . . . . 200 . . mM . . . . 25079 3 4 H20 'natural abundance' . . . . . . 90 . . % . . . . 25079 3 5 D20 'natural abundance' . . . . . . 10 . . % . . . . 25079 3 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 25079 _Sample_condition_list.ID 1 _Sample_condition_list.Details '20 mM sodium phosphate, pH6.5, 200 mM DPC.' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID temperature 313 . K 25079 1 pH 6.5 . pH 25079 1 pressure 1 . atm 25079 1 'ionic strength' 20 . mM 25079 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25079 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25079 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25079 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 25079 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 25079 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25079 2 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 25079 _Software.ID 3 _Software.Name X-PLOR_NIH _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 25079 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25079 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25079 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25079 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25079 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 25079 1 2 spectrometer_2 Bruker Avance . 700 . . . 25079 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 25079 _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 . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25079 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $15N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25079 1 3 '3D HNCA' no . . . . . . . . . . 2 $13C-15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25079 1 4 '3D HNCACB' no . . . . . . . . . . 2 $13C-15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25079 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $13C-15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25079 1 6 '3D HCACO' no . . . . . . . . . . 2 $13C-15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25079 1 7 '3D HNCO' no . . . . . . . . . . 2 $13C-15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25079 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $13C-15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25079 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25079 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25079 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . . . . . . . 25079 1 C 13 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.251449530 . . . . . . . . . 25079 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . . . . . 25079 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25079 _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 $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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' . . . 25079 1 3 '3D HNCA' . . . 25079 1 4 '3D HNCACB' . . . 25079 1 5 '3D HBHA(CO)NH' . . . 25079 1 7 '3D HNCO' . . . 25079 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 SER CB C 13 63.463 0.200 . 1 . . . A 2 SER CB . 25079 1 2 . 1 1 4 4 PRO HA H 1 4.442 0.020 . 1 . . . A 4 PRO HA . 25079 1 3 . 1 1 4 4 PRO HB2 H 1 1.910 0.020 . 2 . . . A 4 PRO HB2 . 25079 1 4 . 1 1 4 4 PRO HD3 H 1 3.799 0.020 . 2 . . . A 4 PRO HD3 . 25079 1 5 . 1 1 4 4 PRO CA C 13 63.352 0.200 . 1 . . . A 4 PRO CA . 25079 1 6 . 1 1 4 4 PRO CB C 13 31.915 0.200 . 1 . . . A 4 PRO CB . 25079 1 7 . 1 1 5 5 VAL H H 1 8.193 0.020 . 1 . . . A 5 VAL H . 25079 1 8 . 1 1 5 5 VAL HA H 1 4.065 0.020 . 1 . . . A 5 VAL HA . 25079 1 9 . 1 1 5 5 VAL HB H 1 2.083 0.020 . 1 . . . A 5 VAL HB . 25079 1 10 . 1 1 5 5 VAL CA C 13 62.546 0.200 . 1 . . . A 5 VAL CA . 25079 1 11 . 1 1 5 5 VAL CB C 13 32.452 0.200 . 1 . . . A 5 VAL CB . 25079 1 12 . 1 1 5 5 VAL N N 15 119.530 0.100 . 1 . . . A 5 VAL N . 25079 1 13 . 1 1 6 6 SER H H 1 8.246 0.020 . 1 . . . A 6 SER H . 25079 1 14 . 1 1 6 6 SER HA H 1 4.474 0.020 . 1 . . . A 6 SER HA . 25079 1 15 . 1 1 6 6 SER CA C 13 58.259 0.200 . 1 . . . A 6 SER CA . 25079 1 16 . 1 1 6 6 SER CB C 13 64.180 0.200 . 1 . . . A 6 SER CB . 25079 1 17 . 1 1 6 6 SER N N 15 118.536 0.100 . 1 . . . A 6 SER N . 25079 1 18 . 1 1 7 7 LEU H H 1 8.428 0.020 . 1 . . . A 7 LEU H . 25079 1 19 . 1 1 7 7 LEU HA H 1 4.268 0.020 . 1 . . . A 7 LEU HA . 25079 1 20 . 1 1 7 7 LEU HD11 H 1 0.933 0.020 . 2 . . . A 7 LEU HD11 . 25079 1 21 . 1 1 7 7 LEU HD12 H 1 0.933 0.020 . 2 . . . A 7 LEU HD12 . 25079 1 22 . 1 1 7 7 LEU HD13 H 1 0.933 0.020 . 2 . . . A 7 LEU HD13 . 25079 1 23 . 1 1 7 7 LEU CA C 13 55.879 0.200 . 1 . . . A 7 LEU CA . 25079 1 24 . 1 1 7 7 LEU CB C 13 42.888 0.200 . 1 . . . A 7 LEU CB . 25079 1 25 . 1 1 7 7 LEU N N 15 124.072 0.100 . 1 . . . A 7 LEU N . 25079 1 26 . 1 1 8 8 LEU H H 1 7.911 0.020 . 1 . . . A 8 LEU H . 25079 1 27 . 1 1 8 8 LEU HA H 1 4.384 0.020 . 1 . . . A 8 LEU HA . 25079 1 28 . 1 1 8 8 LEU HD11 H 1 0.913 0.020 . 2 . . . A 8 LEU HD11 . 25079 1 29 . 1 1 8 8 LEU HD12 H 1 0.913 0.020 . 2 . . . A 8 LEU HD12 . 25079 1 30 . 1 1 8 8 LEU HD13 H 1 0.913 0.020 . 2 . . . A 8 LEU HD13 . 25079 1 31 . 1 1 8 8 LEU CA C 13 54.808 0.200 . 1 . . . A 8 LEU CA . 25079 1 32 . 1 1 8 8 LEU CB C 13 42.968 0.200 . 1 . . . A 8 LEU CB . 25079 1 33 . 1 1 8 8 LEU N N 15 118.780 0.100 . 1 . . . A 8 LEU N . 25079 1 34 . 1 1 9 9 THR H H 1 8.030 0.020 . 1 . . . A 9 THR H . 25079 1 35 . 1 1 9 9 THR CA C 13 59.552 0.200 . 1 . . . A 9 THR CA . 25079 1 36 . 1 1 9 9 THR CB C 13 69.588 0.200 . 1 . . . A 9 THR CB . 25079 1 37 . 1 1 9 9 THR N N 15 114.528 0.100 . 1 . . . A 9 THR N . 25079 1 38 . 1 1 10 10 PRO HA H 1 4.369 0.020 . 1 . . . A 10 PRO HA . 25079 1 39 . 1 1 10 10 PRO HB2 H 1 2.000 0.020 . 2 . . . A 10 PRO HB2 . 25079 1 40 . 1 1 10 10 PRO HD3 H 1 3.837 0.020 . 2 . . . A 10 PRO HD3 . 25079 1 41 . 1 1 10 10 PRO CA C 13 64.206 0.200 . 1 . . . A 10 PRO CA . 25079 1 42 . 1 1 10 10 PRO CB C 13 31.927 0.200 . 1 . . . A 10 PRO CB . 25079 1 43 . 1 1 11 11 SER H H 1 8.217 0.020 . 1 . . . A 11 SER H . 25079 1 44 . 1 1 11 11 SER HA H 1 4.293 0.020 . 1 . . . A 11 SER HA . 25079 1 45 . 1 1 11 11 SER CA C 13 59.677 0.200 . 1 . . . A 11 SER CA . 25079 1 46 . 1 1 11 11 SER CB C 13 63.851 0.200 . 1 . . . A 11 SER CB . 25079 1 47 . 1 1 11 11 SER N N 15 113.430 0.100 . 1 . . . A 11 SER N . 25079 1 48 . 1 1 12 12 ASP H H 1 8.122 0.020 . 1 . . . A 12 ASP H . 25079 1 49 . 1 1 12 12 ASP HA H 1 4.626 0.020 . 1 . . . A 12 ASP HA . 25079 1 50 . 1 1 12 12 ASP CA C 13 54.709 0.200 . 1 . . . A 12 ASP CA . 25079 1 51 . 1 1 12 12 ASP CB C 13 41.453 0.200 . 1 . . . A 12 ASP CB . 25079 1 52 . 1 1 12 12 ASP N N 15 120.212 0.100 . 1 . . . A 12 ASP N . 25079 1 53 . 1 1 13 13 LEU H H 1 7.719 0.020 . 1 . . . A 13 LEU H . 25079 1 54 . 1 1 13 13 LEU HA H 1 4.336 0.020 . 1 . . . A 13 LEU HA . 25079 1 55 . 1 1 13 13 LEU HB3 H 1 1.471 0.020 . 2 . . . A 13 LEU HB3 . 25079 1 56 . 1 1 13 13 LEU HD11 H 1 0.922 0.020 . 2 . . . A 13 LEU HD11 . 25079 1 57 . 1 1 13 13 LEU HD12 H 1 0.922 0.020 . 2 . . . A 13 LEU HD12 . 25079 1 58 . 1 1 13 13 LEU HD13 H 1 0.922 0.020 . 2 . . . A 13 LEU HD13 . 25079 1 59 . 1 1 13 13 LEU CA C 13 54.588 0.200 . 1 . . . A 13 LEU CA . 25079 1 60 . 1 1 13 13 LEU CB C 13 43.298 0.200 . 1 . . . A 13 LEU CB . 25079 1 61 . 1 1 13 13 LEU N N 15 120.144 0.100 . 1 . . . A 13 LEU N . 25079 1 62 . 1 1 14 14 ASP H H 1 8.289 0.020 . 1 . . . A 14 ASP H . 25079 1 63 . 1 1 14 14 ASP CA C 13 53.538 0.200 . 1 . . . A 14 ASP CA . 25079 1 64 . 1 1 14 14 ASP CB C 13 43.171 0.200 . 1 . . . A 14 ASP CB . 25079 1 65 . 1 1 14 14 ASP N N 15 123.659 0.100 . 1 . . . A 14 ASP N . 25079 1 66 . 1 1 15 15 PRO HA H 1 4.252 0.020 . 1 . . . A 15 PRO HA . 25079 1 67 . 1 1 15 15 PRO HB2 H 1 1.941 0.020 . 2 . . . A 15 PRO HB2 . 25079 1 68 . 1 1 15 15 PRO CA C 13 65.531 0.200 . 1 . . . A 15 PRO CA . 25079 1 69 . 1 1 15 15 PRO CB C 13 32.324 0.200 . 1 . . . A 15 PRO CB . 25079 1 70 . 1 1 16 16 LEU H H 1 8.639 0.020 . 1 . . . A 16 LEU H . 25079 1 71 . 1 1 16 16 LEU HA H 1 4.175 0.020 . 1 . . . A 16 LEU HA . 25079 1 72 . 1 1 16 16 LEU HD11 H 1 0.981 0.020 . 2 . . . A 16 LEU HD11 . 25079 1 73 . 1 1 16 16 LEU HD12 H 1 0.981 0.020 . 2 . . . A 16 LEU HD12 . 25079 1 74 . 1 1 16 16 LEU HD13 H 1 0.981 0.020 . 2 . . . A 16 LEU HD13 . 25079 1 75 . 1 1 16 16 LEU CA C 13 58.452 0.200 . 1 . . . A 16 LEU CA . 25079 1 76 . 1 1 16 16 LEU CB C 13 41.335 0.200 . 1 . . . A 16 LEU CB . 25079 1 77 . 1 1 16 16 LEU N N 15 120.965 0.100 . 1 . . . A 16 LEU N . 25079 1 78 . 1 1 17 17 ILE H H 1 7.831 0.020 . 1 . . . A 17 ILE H . 25079 1 79 . 1 1 17 17 ILE HA H 1 3.706 0.020 . 1 . . . A 17 ILE HA . 25079 1 80 . 1 1 17 17 ILE HB H 1 2.104 0.020 . 1 . . . A 17 ILE HB . 25079 1 81 . 1 1 17 17 ILE HD11 H 1 0.959 0.020 . 2 . . . A 17 ILE HD11 . 25079 1 82 . 1 1 17 17 ILE HD12 H 1 0.959 0.020 . 2 . . . A 17 ILE HD12 . 25079 1 83 . 1 1 17 17 ILE HD13 H 1 0.959 0.020 . 2 . . . A 17 ILE HD13 . 25079 1 84 . 1 1 17 17 ILE CA C 13 64.333 0.200 . 1 . . . A 17 ILE CA . 25079 1 85 . 1 1 17 17 ILE CB C 13 36.708 0.200 . 1 . . . A 17 ILE CB . 25079 1 86 . 1 1 17 17 ILE N N 15 118.865 0.100 . 1 . . . A 17 ILE N . 25079 1 87 . 1 1 18 18 LEU H H 1 8.229 0.020 . 1 . . . A 18 LEU H . 25079 1 88 . 1 1 18 18 LEU HA H 1 4.003 0.020 . 1 . . . A 18 LEU HA . 25079 1 89 . 1 1 18 18 LEU HD11 H 1 0.947 0.020 . 2 . . . A 18 LEU HD11 . 25079 1 90 . 1 1 18 18 LEU HD12 H 1 0.947 0.020 . 2 . . . A 18 LEU HD12 . 25079 1 91 . 1 1 18 18 LEU HD13 H 1 0.947 0.020 . 2 . . . A 18 LEU HD13 . 25079 1 92 . 1 1 18 18 LEU CA C 13 58.669 0.200 . 1 . . . A 18 LEU CA . 25079 1 93 . 1 1 18 18 LEU CB C 13 41.728 0.200 . 1 . . . A 18 LEU CB . 25079 1 94 . 1 1 18 18 LEU N N 15 121.654 0.100 . 1 . . . A 18 LEU N . 25079 1 95 . 1 1 19 19 THR H H 1 7.951 0.020 . 1 . . . A 19 THR H . 25079 1 96 . 1 1 19 19 THR HA H 1 4.252 0.020 . 1 . . . A 19 THR HA . 25079 1 97 . 1 1 19 19 THR CA C 13 68.380 0.200 . 1 . . . A 19 THR CA . 25079 1 98 . 1 1 19 19 THR CB C 13 67.094 0.200 . 1 . . . A 19 THR CB . 25079 1 99 . 1 1 19 19 THR N N 15 115.361 0.100 . 1 . . . A 19 THR N . 25079 1 100 . 1 1 20 20 LEU H H 1 8.334 0.020 . 1 . . . A 20 LEU H . 25079 1 101 . 1 1 20 20 LEU HA H 1 3.962 0.020 . 1 . . . A 20 LEU HA . 25079 1 102 . 1 1 20 20 LEU HB3 H 1 1.517 0.020 . 2 . . . A 20 LEU HB3 . 25079 1 103 . 1 1 20 20 LEU HD11 H 1 0.884 0.020 . 2 . . . A 20 LEU HD11 . 25079 1 104 . 1 1 20 20 LEU HD12 H 1 0.884 0.020 . 2 . . . A 20 LEU HD12 . 25079 1 105 . 1 1 20 20 LEU HD13 H 1 0.884 0.020 . 2 . . . A 20 LEU HD13 . 25079 1 106 . 1 1 20 20 LEU CA C 13 58.313 0.200 . 1 . . . A 20 LEU CA . 25079 1 107 . 1 1 20 20 LEU CB C 13 41.808 0.200 . 1 . . . A 20 LEU CB . 25079 1 108 . 1 1 20 20 LEU N N 15 119.190 0.100 . 1 . . . A 20 LEU N . 25079 1 109 . 1 1 21 21 SER H H 1 8.195 0.020 . 1 . . . A 21 SER H . 25079 1 110 . 1 1 21 21 SER HA H 1 4.027 0.020 . 1 . . . A 21 SER HA . 25079 1 111 . 1 1 21 21 SER CA C 13 63.605 0.200 . 1 . . . A 21 SER CA . 25079 1 112 . 1 1 21 21 SER CB C 13 63.022 0.200 . 1 . . . A 21 SER CB . 25079 1 113 . 1 1 21 21 SER N N 15 114.597 0.100 . 1 . . . A 21 SER N . 25079 1 114 . 1 1 22 22 LEU H H 1 7.881 0.020 . 1 . . . A 22 LEU H . 25079 1 115 . 1 1 22 22 LEU HA H 1 3.996 0.020 . 1 . . . A 22 LEU HA . 25079 1 116 . 1 1 22 22 LEU HB3 H 1 1.614 0.020 . 2 . . . A 22 LEU HB3 . 25079 1 117 . 1 1 22 22 LEU CA C 13 58.134 0.200 . 1 . . . A 22 LEU CA . 25079 1 118 . 1 1 22 22 LEU CB C 13 41.602 0.200 . 1 . . . A 22 LEU CB . 25079 1 119 . 1 1 22 22 LEU N N 15 120.987 0.100 . 1 . . . A 22 LEU N . 25079 1 120 . 1 1 23 23 ILE H H 1 7.987 0.020 . 1 . . . A 23 ILE H . 25079 1 121 . 1 1 23 23 ILE HA H 1 3.480 0.020 . 1 . . . A 23 ILE HA . 25079 1 122 . 1 1 23 23 ILE HB H 1 2.017 0.020 . 1 . . . A 23 ILE HB . 25079 1 123 . 1 1 23 23 ILE CA C 13 65.768 0.200 . 1 . . . A 23 ILE CA . 25079 1 124 . 1 1 23 23 ILE CB C 13 37.263 0.200 . 1 . . . A 23 ILE CB . 25079 1 125 . 1 1 23 23 ILE N N 15 118.022 0.100 . 1 . . . A 23 ILE N . 25079 1 126 . 1 1 24 24 LEU H H 1 8.174 0.020 . 1 . . . A 24 LEU H . 25079 1 127 . 1 1 24 24 LEU HA H 1 3.925 0.020 . 1 . . . A 24 LEU HA . 25079 1 128 . 1 1 24 24 LEU HD11 H 1 0.852 0.020 . 2 . . . A 24 LEU HD11 . 25079 1 129 . 1 1 24 24 LEU HD12 H 1 0.852 0.020 . 2 . . . A 24 LEU HD12 . 25079 1 130 . 1 1 24 24 LEU HD13 H 1 0.852 0.020 . 2 . . . A 24 LEU HD13 . 25079 1 131 . 1 1 24 24 LEU CA C 13 58.586 0.200 . 1 . . . A 24 LEU CA . 25079 1 132 . 1 1 24 24 LEU CB C 13 41.621 0.200 . 1 . . . A 24 LEU CB . 25079 1 133 . 1 1 24 24 LEU N N 15 118.701 0.100 . 1 . . . A 24 LEU N . 25079 1 134 . 1 1 25 25 VAL H H 1 8.118 0.020 . 1 . . . A 25 VAL H . 25079 1 135 . 1 1 25 25 VAL HA H 1 4.427 0.020 . 1 . . . A 25 VAL HA . 25079 1 136 . 1 1 25 25 VAL HB H 1 2.273 0.020 . 1 . . . A 25 VAL HB . 25079 1 137 . 1 1 25 25 VAL CA C 13 67.708 0.200 . 1 . . . A 25 VAL CA . 25079 1 138 . 1 1 25 25 VAL CB C 13 31.539 0.200 . 1 . . . A 25 VAL CB . 25079 1 139 . 1 1 25 25 VAL N N 15 117.708 0.100 . 1 . . . A 25 VAL N . 25079 1 140 . 1 1 26 26 VAL H H 1 8.140 0.020 . 1 . . . A 26 VAL H . 25079 1 141 . 1 1 26 26 VAL HA H 1 3.373 0.020 . 1 . . . A 26 VAL HA . 25079 1 142 . 1 1 26 26 VAL HB H 1 2.296 0.020 . 1 . . . A 26 VAL HB . 25079 1 143 . 1 1 26 26 VAL CA C 13 67.852 0.200 . 1 . . . A 26 VAL CA . 25079 1 144 . 1 1 26 26 VAL CB C 13 30.970 0.200 . 1 . . . A 26 VAL CB . 25079 1 145 . 1 1 26 26 VAL N N 15 118.872 0.100 . 1 . . . A 26 VAL N . 25079 1 146 . 1 1 27 27 ILE H H 1 8.336 0.020 . 1 . . . A 27 ILE H . 25079 1 147 . 1 1 27 27 ILE HA H 1 3.527 0.020 . 1 . . . A 27 ILE HA . 25079 1 148 . 1 1 27 27 ILE HD11 H 1 0.809 0.020 . 2 . . . A 27 ILE HD11 . 25079 1 149 . 1 1 27 27 ILE HD12 H 1 0.809 0.020 . 2 . . . A 27 ILE HD12 . 25079 1 150 . 1 1 27 27 ILE HD13 H 1 0.809 0.020 . 2 . . . A 27 ILE HD13 . 25079 1 151 . 1 1 27 27 ILE CA C 13 65.922 0.200 . 1 . . . A 27 ILE CA . 25079 1 152 . 1 1 27 27 ILE CB C 13 37.327 0.200 . 1 . . . A 27 ILE CB . 25079 1 153 . 1 1 27 27 ILE N N 15 118.715 0.100 . 1 . . . A 27 ILE N . 25079 1 154 . 1 1 28 28 LEU H H 1 8.494 0.020 . 1 . . . A 28 LEU H . 25079 1 155 . 1 1 28 28 LEU HA H 1 3.981 0.020 . 1 . . . A 28 LEU HA . 25079 1 156 . 1 1 28 28 LEU HB3 H 1 1.497 0.020 . 2 . . . A 28 LEU HB3 . 25079 1 157 . 1 1 28 28 LEU HD11 H 1 0.799 0.020 . 2 . . . A 28 LEU HD11 . 25079 1 158 . 1 1 28 28 LEU HD12 H 1 0.799 0.020 . 2 . . . A 28 LEU HD12 . 25079 1 159 . 1 1 28 28 LEU HD13 H 1 0.799 0.020 . 1 . . . A 28 LEU HD13 . 25079 1 160 . 1 1 28 28 LEU CA C 13 58.626 0.200 . 1 . . . A 28 LEU CA . 25079 1 161 . 1 1 28 28 LEU CB C 13 41.415 0.200 . 1 . . . A 28 LEU CB . 25079 1 162 . 1 1 28 28 LEU N N 15 119.343 0.100 . 1 . . . A 28 LEU N . 25079 1 163 . 1 1 29 29 VAL H H 1 8.696 0.020 . 1 . . . A 29 VAL H . 25079 1 164 . 1 1 29 29 VAL HA H 1 3.464 0.020 . 1 . . . A 29 VAL HA . 25079 1 165 . 1 1 29 29 VAL HB H 1 2.268 0.020 . 1 . . . A 29 VAL HB . 25079 1 166 . 1 1 29 29 VAL HG21 H 1 1.014 0.020 . 2 . . . A 29 VAL HG21 . 25079 1 167 . 1 1 29 29 VAL HG22 H 1 1.014 0.020 . 2 . . . A 29 VAL HG22 . 25079 1 168 . 1 1 29 29 VAL HG23 H 1 1.014 0.020 . 2 . . . A 29 VAL HG23 . 25079 1 169 . 1 1 29 29 VAL CA C 13 67.682 0.200 . 1 . . . A 29 VAL CA . 25079 1 170 . 1 1 29 29 VAL CB C 13 31.172 0.200 . 1 . . . A 29 VAL CB . 25079 1 171 . 1 1 29 29 VAL N N 15 121.451 0.100 . 1 . . . A 29 VAL N . 25079 1 172 . 1 1 30 30 LEU H H 1 8.534 0.020 . 1 . . . A 30 LEU H . 25079 1 173 . 1 1 30 30 LEU HA H 1 3.901 0.020 . 1 . . . A 30 LEU HA . 25079 1 174 . 1 1 30 30 LEU HB3 H 1 1.531 0.020 . 2 . . . A 30 LEU HB3 . 25079 1 175 . 1 1 30 30 LEU CA C 13 58.783 0.200 . 1 . . . A 30 LEU CA . 25079 1 176 . 1 1 30 30 LEU CB C 13 41.515 0.200 . 1 . . . A 30 LEU CB . 25079 1 177 . 1 1 30 30 LEU N N 15 119.811 0.100 . 1 . . . A 30 LEU N . 25079 1 178 . 1 1 31 31 LEU H H 1 8.770 0.020 . 1 . . . A 31 LEU H . 25079 1 179 . 1 1 31 31 LEU HA H 1 3.946 0.020 . 1 . . . A 31 LEU HA . 25079 1 180 . 1 1 31 31 LEU HB3 H 1 1.459 0.020 . 2 . . . A 31 LEU HB3 . 25079 1 181 . 1 1 31 31 LEU HD11 H 1 0.829 0.020 . 2 . . . A 31 LEU HD11 . 25079 1 182 . 1 1 31 31 LEU HD12 H 1 0.829 0.020 . 2 . . . A 31 LEU HD12 . 25079 1 183 . 1 1 31 31 LEU HD13 H 1 0.829 0.020 . 2 . . . A 31 LEU HD13 . 25079 1 184 . 1 1 31 31 LEU CA C 13 58.443 0.200 . 1 . . . A 31 LEU CA . 25079 1 185 . 1 1 31 31 LEU CB C 13 41.802 0.200 . 1 . . . A 31 LEU CB . 25079 1 186 . 1 1 31 31 LEU N N 15 117.365 0.100 . 1 . . . A 31 LEU N . 25079 1 187 . 1 1 32 32 THR H H 1 8.016 0.020 . 1 . . . A 32 THR H . 25079 1 188 . 1 1 32 32 THR HA H 1 4.311 0.020 . 1 . . . A 32 THR HA . 25079 1 189 . 1 1 32 32 THR HB H 1 3.688 0.020 . 1 . . . A 32 THR HB . 25079 1 190 . 1 1 32 32 THR HG21 H 1 1.124 0.020 . 2 . . . A 32 THR HG21 . 25079 1 191 . 1 1 32 32 THR HG22 H 1 1.124 0.020 . 2 . . . A 32 THR HG22 . 25079 1 192 . 1 1 32 32 THR HG23 H 1 1.124 0.020 . 2 . . . A 32 THR HG23 . 25079 1 193 . 1 1 32 32 THR CA C 13 68.534 0.200 . 1 . . . A 32 THR CA . 25079 1 194 . 1 1 32 32 THR CB C 13 67.727 0.200 . 1 . . . A 32 THR CB . 25079 1 195 . 1 1 32 32 THR N N 15 116.494 0.100 . 1 . . . A 32 THR N . 25079 1 196 . 1 1 33 33 VAL H H 1 8.430 0.020 . 1 . . . A 33 VAL H . 25079 1 197 . 1 1 33 33 VAL HA H 1 3.499 0.020 . 1 . . . A 33 VAL HA . 25079 1 198 . 1 1 33 33 VAL HB H 1 2.300 0.020 . 1 . . . A 33 VAL HB . 25079 1 199 . 1 1 33 33 VAL HG21 H 1 1.541 0.020 . 2 . . . A 33 VAL HG21 . 25079 1 200 . 1 1 33 33 VAL HG22 H 1 1.541 0.020 . 2 . . . A 33 VAL HG22 . 25079 1 201 . 1 1 33 33 VAL HG23 H 1 1.541 0.020 . 2 . . . A 33 VAL HG23 . 25079 1 202 . 1 1 33 33 VAL CA C 13 67.605 0.200 . 1 . . . A 33 VAL CA . 25079 1 203 . 1 1 33 33 VAL CB C 13 31.468 0.200 . 1 . . . A 33 VAL CB . 25079 1 204 . 1 1 33 33 VAL N N 15 120.644 0.100 . 1 . . . A 33 VAL N . 25079 1 205 . 1 1 34 34 LEU H H 1 8.424 0.020 . 1 . . . A 34 LEU H . 25079 1 206 . 1 1 34 34 LEU HA H 1 3.994 0.020 . 1 . . . A 34 LEU HA . 25079 1 207 . 1 1 34 34 LEU HB3 H 1 1.566 0.020 . 2 . . . A 34 LEU HB3 . 25079 1 208 . 1 1 34 34 LEU HD11 H 1 0.894 0.020 . 2 . . . A 34 LEU HD11 . 25079 1 209 . 1 1 34 34 LEU HD12 H 1 0.894 0.020 . 2 . . . A 34 LEU HD12 . 25079 1 210 . 1 1 34 34 LEU HD13 H 1 0.894 0.020 . 2 . . . A 34 LEU HD13 . 25079 1 211 . 1 1 34 34 LEU CA C 13 58.433 0.200 . 1 . . . A 34 LEU CA . 25079 1 212 . 1 1 34 34 LEU CB C 13 41.543 0.200 . 1 . . . A 34 LEU CB . 25079 1 213 . 1 1 34 34 LEU N N 15 118.815 0.100 . 1 . . . A 34 LEU N . 25079 1 214 . 1 1 35 35 ALA H H 1 8.646 0.020 . 1 . . . A 35 ALA H . 25079 1 215 . 1 1 35 35 ALA HA H 1 3.993 0.020 . 1 . . . A 35 ALA HA . 25079 1 216 . 1 1 35 35 ALA CA C 13 55.704 0.200 . 1 . . . A 35 ALA CA . 25079 1 217 . 1 1 35 35 ALA CB C 13 18.446 0.200 . 1 . . . A 35 ALA CB . 25079 1 218 . 1 1 35 35 ALA N N 15 122.308 0.100 . 1 . . . A 35 ALA N . 25079 1 219 . 1 1 36 36 LEU H H 1 8.442 0.020 . 1 . . . A 36 LEU H . 25079 1 220 . 1 1 36 36 LEU HA H 1 4.058 0.020 . 1 . . . A 36 LEU HA . 25079 1 221 . 1 1 36 36 LEU HB3 H 1 1.481 0.020 . 2 . . . A 36 LEU HB3 . 25079 1 222 . 1 1 36 36 LEU HD11 H 1 0.892 0.020 . 2 . . . A 36 LEU HD11 . 25079 1 223 . 1 1 36 36 LEU HD12 H 1 0.892 0.020 . 2 . . . A 36 LEU HD12 . 25079 1 224 . 1 1 36 36 LEU HD13 H 1 0.892 0.020 . 2 . . . A 36 LEU HD13 . 25079 1 225 . 1 1 36 36 LEU CA C 13 58.078 0.200 . 1 . . . A 36 LEU CA . 25079 1 226 . 1 1 36 36 LEU CB C 13 42.030 0.200 . 1 . . . A 36 LEU CB . 25079 1 227 . 1 1 36 36 LEU N N 15 118.240 0.100 . 1 . . . A 36 LEU N . 25079 1 228 . 1 1 37 37 LEU H H 1 8.499 0.020 . 1 . . . A 37 LEU H . 25079 1 229 . 1 1 37 37 LEU HA H 1 4.088 0.020 . 1 . . . A 37 LEU HA . 25079 1 230 . 1 1 37 37 LEU HB3 H 1 1.549 0.020 . 2 . . . A 37 LEU HB3 . 25079 1 231 . 1 1 37 37 LEU HD11 H 1 0.933 0.020 . 2 . . . A 37 LEU HD11 . 25079 1 232 . 1 1 37 37 LEU HD12 H 1 0.933 0.020 . 2 . . . A 37 LEU HD12 . 25079 1 233 . 1 1 37 37 LEU HD13 H 1 0.933 0.020 . 2 . . . A 37 LEU HD13 . 25079 1 234 . 1 1 37 37 LEU CA C 13 57.666 0.200 . 1 . . . A 37 LEU CA . 25079 1 235 . 1 1 37 37 LEU CB C 13 42.103 0.200 . 1 . . . A 37 LEU CB . 25079 1 236 . 1 1 37 37 LEU N N 15 117.383 0.100 . 1 . . . A 37 LEU N . 25079 1 237 . 1 1 38 38 SER H H 1 8.155 0.020 . 1 . . . A 38 SER H . 25079 1 238 . 1 1 38 38 SER HA H 1 4.235 0.020 . 1 . . . A 38 SER HA . 25079 1 239 . 1 1 38 38 SER CA C 13 61.318 0.200 . 1 . . . A 38 SER CA . 25079 1 240 . 1 1 38 38 SER CB C 13 63.438 0.200 . 1 . . . A 38 SER CB . 25079 1 241 . 1 1 38 38 SER N N 15 113.837 0.100 . 1 . . . A 38 SER N . 25079 1 242 . 1 1 39 39 HIS H H 1 8.017 0.020 . 1 . . . A 39 HIS H . 25079 1 243 . 1 1 39 39 HIS HA H 1 4.777 0.020 . 1 . . . A 39 HIS HA . 25079 1 244 . 1 1 39 39 HIS HB3 H 1 2.993 0.020 . 1 . . . A 39 HIS HB3 . 25079 1 245 . 1 1 39 39 HIS CA C 13 57.311 0.200 . 1 . . . A 39 HIS CA . 25079 1 246 . 1 1 39 39 HIS CB C 13 30.793 0.200 . 1 . . . A 39 HIS CB . 25079 1 247 . 1 1 39 39 HIS N N 15 119.819 0.100 . 1 . . . A 39 HIS N . 25079 1 248 . 1 1 40 40 ARG H H 1 7.785 0.020 . 1 . . . A 40 ARG H . 25079 1 249 . 1 1 40 40 ARG CA C 13 58.769 0.200 . 1 . . . A 40 ARG CA . 25079 1 250 . 1 1 40 40 ARG N N 15 119.165 0.100 . 1 . . . A 40 ARG N . 25079 1 251 . 1 1 41 41 ARG H H 1 8.358 0.020 . 1 . . . A 41 ARG H . 25079 1 252 . 1 1 41 41 ARG HA H 1 4.116 0.020 . 1 . . . A 41 ARG HA . 25079 1 253 . 1 1 41 41 ARG CA C 13 58.911 0.200 . 1 . . . A 41 ARG CA . 25079 1 254 . 1 1 41 41 ARG CB C 13 29.575 0.200 . 1 . . . A 41 ARG CB . 25079 1 255 . 1 1 41 41 ARG N N 15 119.761 0.100 . 1 . . . A 41 ARG N . 25079 1 256 . 1 1 42 42 ALA H H 1 8.098 0.020 . 1 . . . A 42 ALA H . 25079 1 257 . 1 1 42 42 ALA HA H 1 4.204 0.020 . 1 . . . A 42 ALA HA . 25079 1 258 . 1 1 42 42 ALA CA C 13 54.191 0.200 . 1 . . . A 42 ALA CA . 25079 1 259 . 1 1 42 42 ALA CB C 13 18.529 0.200 . 1 . . . A 42 ALA CB . 25079 1 260 . 1 1 42 42 ALA N N 15 121.554 0.100 . 1 . . . A 42 ALA N . 25079 1 261 . 1 1 43 43 LEU H H 1 7.986 0.020 . 1 . . . A 43 LEU H . 25079 1 262 . 1 1 43 43 LEU HA H 1 4.061 0.020 . 1 . . . A 43 LEU HA . 25079 1 263 . 1 1 43 43 LEU HD11 H 1 0.965 0.020 . 2 . . . A 43 LEU HD11 . 25079 1 264 . 1 1 43 43 LEU HD12 H 1 0.965 0.020 . 2 . . . A 43 LEU HD12 . 25079 1 265 . 1 1 43 43 LEU HD13 H 1 0.965 0.020 . 2 . . . A 43 LEU HD13 . 25079 1 266 . 1 1 43 43 LEU CA C 13 57.311 0.200 . 1 . . . A 43 LEU CA . 25079 1 267 . 1 1 43 43 LEU CB C 13 42.485 0.200 . 1 . . . A 43 LEU CB . 25079 1 268 . 1 1 43 43 LEU N N 15 117.383 0.100 . 1 . . . A 43 LEU N . 25079 1 269 . 1 1 44 44 LYS H H 1 8.258 0.020 . 1 . . . A 44 LYS H . 25079 1 270 . 1 1 44 44 LYS HA H 1 4.043 0.020 . 1 . . . A 44 LYS HA . 25079 1 271 . 1 1 44 44 LYS CA C 13 59.902 0.200 . 1 . . . A 44 LYS CA . 25079 1 272 . 1 1 44 44 LYS CB C 13 32.630 0.200 . 1 . . . A 44 LYS CB . 25079 1 273 . 1 1 44 44 LYS N N 15 118.908 0.100 . 1 . . . A 44 LYS N . 25079 1 274 . 1 1 45 45 GLN H H 1 7.764 0.020 . 1 . . . A 45 GLN H . 25079 1 275 . 1 1 45 45 GLN HA H 1 4.122 0.020 . 1 . . . A 45 GLN HA . 25079 1 276 . 1 1 45 45 GLN CA C 13 57.393 0.200 . 1 . . . A 45 GLN CA . 25079 1 277 . 1 1 45 45 GLN CB C 13 28.647 0.200 . 1 . . . A 45 GLN CB . 25079 1 278 . 1 1 45 45 GLN N N 15 115.858 0.100 . 1 . . . A 45 GLN N . 25079 1 279 . 1 1 46 46 LYS H H 1 7.620 0.020 . 1 . . . A 46 LYS H . 25079 1 280 . 1 1 46 46 LYS HA H 1 4.177 0.020 . 1 . . . A 46 LYS HA . 25079 1 281 . 1 1 46 46 LYS HD3 H 1 1.900 0.020 . 2 . . . A 46 LYS HD3 . 25079 1 282 . 1 1 46 46 LYS CA C 13 57.133 0.200 . 1 . . . A 46 LYS CA . 25079 1 283 . 1 1 46 46 LYS CB C 13 33.007 0.200 . 1 . . . A 46 LYS CB . 25079 1 284 . 1 1 46 46 LYS N N 15 117.155 0.100 . 1 . . . A 46 LYS N . 25079 1 285 . 1 1 47 47 ILE H H 1 7.570 0.020 . 1 . . . A 47 ILE H . 25079 1 286 . 1 1 47 47 ILE HA H 1 3.747 0.020 . 1 . . . A 47 ILE HA . 25079 1 287 . 1 1 47 47 ILE HB H 1 1.391 0.020 . 1 . . . A 47 ILE HB . 25079 1 288 . 1 1 47 47 ILE HG21 H 1 0.081 0.020 . 2 . . . A 47 ILE HG21 . 25079 1 289 . 1 1 47 47 ILE HG22 H 1 0.081 0.020 . 2 . . . A 47 ILE HG22 . 25079 1 290 . 1 1 47 47 ILE HG23 H 1 0.081 0.020 . 2 . . . A 47 ILE HG23 . 25079 1 291 . 1 1 47 47 ILE HD11 H 1 0.650 0.020 . 2 . . . A 47 ILE HD11 . 25079 1 292 . 1 1 47 47 ILE HD12 H 1 0.650 0.020 . 2 . . . A 47 ILE HD12 . 25079 1 293 . 1 1 47 47 ILE HD13 H 1 0.650 0.020 . 2 . . . A 47 ILE HD13 . 25079 1 294 . 1 1 47 47 ILE CA C 13 62.689 0.200 . 1 . . . A 47 ILE CA . 25079 1 295 . 1 1 47 47 ILE CB C 13 38.674 0.200 . 1 . . . A 47 ILE CB . 25079 1 296 . 1 1 47 47 ILE N N 15 116.662 0.100 . 1 . . . A 47 ILE N . 25079 1 297 . 1 1 48 48 TRP H H 1 8.001 0.020 . 1 . . . A 48 TRP H . 25079 1 298 . 1 1 48 48 TRP HA H 1 4.996 0.020 . 1 . . . A 48 TRP HA . 25079 1 299 . 1 1 48 48 TRP HB3 H 1 3.400 0.020 . 2 . . . A 48 TRP HB3 . 25079 1 300 . 1 1 48 48 TRP CA C 13 55.593 0.200 . 1 . . . A 48 TRP CA . 25079 1 301 . 1 1 48 48 TRP CB C 13 28.793 0.200 . 1 . . . A 48 TRP CB . 25079 1 302 . 1 1 48 48 TRP N N 15 118.880 0.100 . 1 . . . A 48 TRP N . 25079 1 stop_ save_