data_34396 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34396 _Entry.Title ; Structure of pore-forming amyloid-beta tetramers ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-04-23 _Entry.Accession_date 2019-04-23 _Entry.Last_release_date 2019-09-25 _Entry.Original_release_date 2019-09-25 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 34396 stop_ 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 B. Bardiaux B. . . . 34396 2 S. Ciudad S. . . . 34396 3 N. Carulla N. . . . 34396 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID AMYLOID . 34396 "Alzheimer's disease" . 34396 'PROTEIN FIBRIL' . 34396 'membrane pore' . 34396 oligomer . 34396 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34396 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 368 34396 '15N chemical shifts' 132 34396 '1H chemical shifts' 132 34396 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2020-06-20 2019-04-23 update BMRB 'update entry citation' 34396 1 . . 2019-09-30 2019-04-23 original author 'original release' 34396 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6RHY . 34396 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34396 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32541820 _Citation.DOI 10.1038/s41467-020-16566-1 _Citation.Full_citation . _Citation.Title ; Abeta(1-42) Tetramer and Octamer Structures Reveal Edge Conductivity Pores as a Mechanism for Membrane Damage ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature communications' _Citation.Journal_volume 11 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2041-1723 _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 3014 _Citation.Page_last 3014 _Citation.Year 2020 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Sonia Ciudad S. . . . 34396 1 2 Eduard Puig E. . . . 34396 1 3 Thomas Botzanowski T. . . . 34396 1 4 Moeen Meigooni M. . . . 34396 1 5 Andres Arango A. S. . . 34396 1 6 Jimmy Do J. . . . 34396 1 7 Maxim Mayzel M. . . . 34396 1 8 Mariam Bayoumi M. . . . 34396 1 9 Stephane Chaignepain S. . . . 34396 1 10 Giovanni Maglia G. . . . 34396 1 11 Sarah Cianferani S. . . . 34396 1 12 Vladislav Orekhov V. . . . 34396 1 13 Emad Tajkhorshid E. . . . 34396 1 14 Benjamin Bardiaux B. . . . 34396 1 15 Natalia Carulla N. . . . 34396 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34396 _Assembly.ID 1 _Assembly.Name 'Amyloid beta A4 protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'entity_1, 1' 1 $entity_1 A A yes . . . . . . 34396 1 2 'entity_1, 2' 1 $entity_1 B B yes . . . . . . 34396 1 3 'entity_1, 3' 1 $entity_1 C C yes . . . . . . 34396 1 4 'entity_1, 4' 1 $entity_1 D D yes . . . . . . 34396 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34396 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B,C,D _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; DAEFRHDSGYEVHHQKLVFF AEDVGSNKGAIIGLMVGGVV IA ; _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 42 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4520.087 _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 ABPP na 34396 1 APP na 34396 1 APPI na 34396 1 'Alzheimer disease amyloid protein' na 34396 1 'Amyloid precursor protein' na 34396 1 'Beta-amyloid precursor protein' na 34396 1 CVAP na 34396 1 'Cerebral vascular amyloid peptide' na 34396 1 PN-II na 34396 1 PreA4 na 34396 1 'Protease nexin-II' na 34396 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 . ASP . 34396 1 2 . ALA . 34396 1 3 . GLU . 34396 1 4 . PHE . 34396 1 5 . ARG . 34396 1 6 . HIS . 34396 1 7 . ASP . 34396 1 8 . SER . 34396 1 9 . GLY . 34396 1 10 . TYR . 34396 1 11 . GLU . 34396 1 12 . VAL . 34396 1 13 . HIS . 34396 1 14 . HIS . 34396 1 15 . GLN . 34396 1 16 . LYS . 34396 1 17 . LEU . 34396 1 18 . VAL . 34396 1 19 . PHE . 34396 1 20 . PHE . 34396 1 21 . ALA . 34396 1 22 . GLU . 34396 1 23 . ASP . 34396 1 24 . VAL . 34396 1 25 . GLY . 34396 1 26 . SER . 34396 1 27 . ASN . 34396 1 28 . LYS . 34396 1 29 . GLY . 34396 1 30 . ALA . 34396 1 31 . ILE . 34396 1 32 . ILE . 34396 1 33 . GLY . 34396 1 34 . LEU . 34396 1 35 . MET . 34396 1 36 . VAL . 34396 1 37 . GLY . 34396 1 38 . GLY . 34396 1 39 . VAL . 34396 1 40 . VAL . 34396 1 41 . ILE . 34396 1 42 . ALA . 34396 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 . ASP 1 1 34396 1 . ALA 2 2 34396 1 . GLU 3 3 34396 1 . PHE 4 4 34396 1 . ARG 5 5 34396 1 . HIS 6 6 34396 1 . ASP 7 7 34396 1 . SER 8 8 34396 1 . GLY 9 9 34396 1 . TYR 10 10 34396 1 . GLU 11 11 34396 1 . VAL 12 12 34396 1 . HIS 13 13 34396 1 . HIS 14 14 34396 1 . GLN 15 15 34396 1 . LYS 16 16 34396 1 . LEU 17 17 34396 1 . VAL 18 18 34396 1 . PHE 19 19 34396 1 . PHE 20 20 34396 1 . ALA 21 21 34396 1 . GLU 22 22 34396 1 . ASP 23 23 34396 1 . VAL 24 24 34396 1 . GLY 25 25 34396 1 . SER 26 26 34396 1 . ASN 27 27 34396 1 . LYS 28 28 34396 1 . GLY 29 29 34396 1 . ALA 30 30 34396 1 . ILE 31 31 34396 1 . ILE 32 32 34396 1 . GLY 33 33 34396 1 . LEU 34 34 34396 1 . MET 35 35 34396 1 . VAL 36 36 34396 1 . GLY 37 37 34396 1 . GLY 38 38 34396 1 . VAL 39 39 34396 1 . VAL 40 40 34396 1 . ILE 41 41 34396 1 . ALA 42 42 34396 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 34396 _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 . . . . . . . . . . . 'APP, A4, AD1' . 34396 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 34396 _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' . . 562 Escherichia coli . . . . . . . . . . 34396 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34396 _Sample.ID 1 _Sample.Name . _Sample.Type micelle _Sample.Sub_type . _Sample.Details '1 mM [U-15N] Amyloid-beta A4 protein, 10 mM [U-2H] TRIS-d11, 28.5 mM [U-2H] DPC-d38, 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 'Amyloid-beta A4 protein' [U-15N] . . 1 $entity_1 . . 1 . . mM . . . . 34396 1 2 TRIS-d11 [U-2H] . . . . . . 10 . . mM . . . . 34396 1 3 DPC-d38 [U-2H] . . . . . . 28.5 . . mM . . . . 34396 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34396 _Sample.ID 2 _Sample.Name . _Sample.Type micelle _Sample.Sub_type . _Sample.Details '1 mM [U-13C; U-15N; U-2H] Amyloid-beta A4 protein, 10 mM [U-2H] TRIS-d11, 28.5 mM [U-2H] DPC-d38, 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 'Amyloid-beta A4 protein' '[U-13C; U-15N; U-2H]' . . 1 $entity_1 . . 1 . . mM . . . . 34396 2 2 TRIS-d11 [U-2H] . . . . . . 10 . . mM . . . . 34396 2 3 DPC-d38 [U-2H] . . . . . . 28.5 . . mM . . . . 34396 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 34396 _Sample.ID 3 _Sample.Name . _Sample.Type micelle _Sample.Sub_type . _Sample.Details ; 1 mM [U-2H,13C,15N]-Ile-[13CH3]d1, Ala-[13CH3], Leu/Val-[13CH3]proR Amyloid-beta A4 protein, 10 mM [U-2H] TRIS-d11, 28.5 mM [U-2H] DPC-d38, 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 'Amyloid-beta A4 protein' '[U-2H,13C,15N]-Ile-[13CH3]d1, Ala-[13CH3], Leu/Val-[13CH3]proR' . . 1 $entity_1 . . 1 . . mM . . . . 34396 3 2 TRIS-d11 [U-2H] . . . . . . 10 . . mM . . . . 34396 3 3 DPC-d38 [U-2H] . . . . . . 28.5 . . mM . . . . 34396 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 34396 _Sample.ID 4 _Sample.Name . _Sample.Type micelle _Sample.Sub_type . _Sample.Details ; 1 mM [U-2H,15N]-Ile-[13CH3]d1, Ala-[13CH3], Leu/Val-[13CH3]proR Amyloid-beta A4 protein, 10 mM [U-2H] TRIS-d11, 28.5 mM [U-2H] DPC-d38, 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 'Amyloid-beta A4 protein' '[U-2H,15N]-Ile-[13CH3]d1, Ala-[13CH3], Leu/Val-[13CH3]proR' . . 1 $entity_1 . . 1 . . mM . . . . 34396 4 2 TRIS-d11 [U-2H] . . . . . . 10 . . mM . . . . 34396 4 3 DPC-d38 [U-2H] . . . . . . 28.5 . . mM . . . . 34396 4 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 34396 _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 pH 8.5 . pH 34396 1 pressure 1 . atm 34396 1 temperature 310.15 . K 34396 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 34396 _Sample_condition_list.ID 2 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 9.5 . pH 34396 2 pressure 1 . atm 34396 2 temperature 310.15 . K 34396 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34396 _Software.ID 1 _Software.Type . _Software.Name ARIA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 34396 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure calculation' 34396 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34396 _Software.ID 2 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 34396 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 34396 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34396 _Software.ID 3 _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 'Cornilescu, Delaglio and Bax' . . 34396 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'data analysis' 34396 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34396 _Software.ID 4 _Software.Type . _Software.Name TopSpin _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34396 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 34396 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 34396 _Software.ID 5 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 34396 5 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 34396 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34396 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34396 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34396 _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' . 900 . . . 34396 1 2 NMR_spectrometer_2 Bruker AVANCE . 800 . . . 34396 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 34396 _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 TROSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34396 1 2 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34396 1 3 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34396 1 4 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34396 1 5 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34396 1 6 '3D HN(COCA)CB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34396 1 7 '3D 13C-HMQC-[1H,1H]-NOESY-13C-HMQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34396 1 8 '3D (Hme)Cme([C]CA)CO' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34396 1 9 '3D (Hme)Cme([C]CA)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34396 1 10 '3D Hme(Cme[C]CA)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34396 1 11 '3D (H)C-TOCSY-C-TOCSY-(C)H' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34396 1 12 '3D Hm-CmHm NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34396 1 13 '3D Cm-CmHm NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34396 1 14 '3D Hm-NH NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34396 1 15 '3D Cm-NH NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34396 1 16 '2D 1H-15N TROSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34396 1 17 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34396 1 18 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34396 1 19 '3D 13C-HMQC-[1H,1H]-NOESY-13C-HMQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34396 1 20 '3D Hm-CmHm NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34396 1 21 '3D Cm-CmHm NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34396 1 22 '3D Hm-NH NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34396 1 23 '3D Cm-NH NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34396 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 34396 _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 protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . 'isotope effect' . 34396 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34396 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 34396 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 34396 _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_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details 'Ca and Cb chemical shifts have been corrected for 2H isotope effect.' _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' . . . 34396 1 2 '3D HNCA' . . . 34396 1 3 '3D HNCO' . . . 34396 1 4 '3D HN(CO)CA' . . . 34396 1 5 '3D HNCACB' . . . 34396 1 6 '3D HN(COCA)CB' . . . 34396 1 7 '3D 13C-HMQC-[1H,1H]-NOESY-13C-HMQC' . . . 34396 1 8 '3D (Hme)Cme([C]CA)CO' . . . 34396 1 9 '3D (Hme)Cme([C]CA)NH' . . . 34396 1 10 '3D Hme(Cme[C]CA)NH' . . . 34396 1 11 '3D (H)C-TOCSY-C-TOCSY-(C)H' . . . 34396 1 12 '3D Hm-CmHm NOESY' . . . 34396 1 13 '3D Cm-CmHm NOESY' . . . 34396 1 14 '3D Hm-NH NOESY' . . . 34396 1 15 '3D Cm-NH NOESY' . . . 34396 1 16 '2D 1H-15N TROSY' . . . 34396 1 17 '3D HNCA' . . . 34396 1 18 '3D HNCACB' . . . 34396 1 19 '3D 13C-HMQC-[1H,1H]-NOESY-13C-HMQC' . . . 34396 1 20 '3D Hm-CmHm NOESY' . . . 34396 1 21 '3D Cm-CmHm NOESY' . . . 34396 1 22 '3D Hm-NH NOESY' . . . 34396 1 23 '3D Cm-NH NOESY' . . . 34396 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 4 $software_4 . . 34396 1 5 $software_5 . . 34396 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 ALA CA C 13 49.3 . . 1 . . 1 . A 2 ALA CA . 34396 1 2 . 1 . 1 2 2 ALA CB C 13 15.8 . . 1 . . 2 . A 2 ALA CB . 34396 1 3 . 1 . 1 3 3 GLU H H 1 8.3 . . 1 . . 5 . A 3 GLU H . 34396 1 4 . 1 . 1 3 3 GLU C C 13 173.9 . . 1 . . 3 . A 3 GLU C . 34396 1 5 . 1 . 1 3 3 GLU CA C 13 53.3 . . 1 . . 6 . A 3 GLU CA . 34396 1 6 . 1 . 1 3 3 GLU CB C 13 27.0 . . 1 . . 7 . A 3 GLU CB . 34396 1 7 . 1 . 1 3 3 GLU N N 15 117.8 . . 1 . . 4 . A 3 GLU N . 34396 1 8 . 1 . 1 4 4 PHE H H 1 8.1 . . 1 . . 10 . A 4 PHE H . 34396 1 9 . 1 . 1 4 4 PHE C C 13 172.6 . . 1 . . 8 . A 4 PHE C . 34396 1 10 . 1 . 1 4 4 PHE CA C 13 54.3 . . 1 . . 11 . A 4 PHE CA . 34396 1 11 . 1 . 1 4 4 PHE CB C 13 36.0 . . 1 . . 12 . A 4 PHE CB . 34396 1 12 . 1 . 1 4 4 PHE N N 15 119.2 . . 1 . . 9 . A 4 PHE N . 34396 1 13 . 1 . 1 5 5 ARG H H 1 8.0 . . 1 . . 15 . A 5 ARG H . 34396 1 14 . 1 . 1 5 5 ARG C C 13 171.6 . . 1 . . 13 . A 5 ARG C . 34396 1 15 . 1 . 1 5 5 ARG CA C 13 52.4 . . 1 . . 16 . A 5 ARG CA . 34396 1 16 . 1 . 1 5 5 ARG CB C 13 27.7 . . 1 . . 17 . A 5 ARG CB . 34396 1 17 . 1 . 1 5 5 ARG N N 15 121.3 . . 1 . . 14 . A 5 ARG N . 34396 1 18 . 1 . 1 7 7 ASP CA C 13 51.0 . . 1 . . 18 . A 7 ASP CA . 34396 1 19 . 1 . 1 7 7 ASP CB C 13 37.8 . . 1 . . 19 . A 7 ASP CB . 34396 1 20 . 1 . 1 8 8 SER H H 1 8.2 . . 1 . . 22 . A 8 SER H . 34396 1 21 . 1 . 1 8 8 SER C C 13 172.5 . . 1 . . 20 . A 8 SER C . 34396 1 22 . 1 . 1 8 8 SER CA C 13 55.5 . . 1 . . 23 . A 8 SER CA . 34396 1 23 . 1 . 1 8 8 SER CB C 13 60.6 . . 1 . . 24 . A 8 SER CB . 34396 1 24 . 1 . 1 8 8 SER N N 15 113.9 . . 1 . . 21 . A 8 SER N . 34396 1 25 . 1 . 1 9 9 GLY H H 1 8.4 . . 1 . . 27 . A 9 GLY H . 34396 1 26 . 1 . 1 9 9 GLY C C 13 171.2 . . 1 . . 25 . A 9 GLY C . 34396 1 27 . 1 . 1 9 9 GLY CA C 13 41.9 . . 1 . . 28 . A 9 GLY CA . 34396 1 28 . 1 . 1 9 9 GLY N N 15 107.9 . . 1 . . 26 . A 9 GLY N . 34396 1 29 . 1 . 1 10 10 TYR H H 1 7.6 . . 1 . . 31 . A 10 TYR H . 34396 1 30 . 1 . 1 10 10 TYR C C 13 169.4 . . 1 . . 29 . A 10 TYR C . 34396 1 31 . 1 . 1 10 10 TYR CA C 13 53.0 . . 1 . . 32 . A 10 TYR CA . 34396 1 32 . 1 . 1 10 10 TYR CB C 13 36.6 . . 1 . . 33 . A 10 TYR CB . 34396 1 33 . 1 . 1 10 10 TYR N N 15 114.7 . . 1 . . 30 . A 10 TYR N . 34396 1 34 . 1 . 1 11 11 GLU H H 1 8.5 . . 1 . . 36 . A 11 GLU H . 34396 1 35 . 1 . 1 11 11 GLU C C 13 170.6 . . 1 . . 34 . A 11 GLU C . 34396 1 36 . 1 . 1 11 11 GLU CA C 13 52.0 . . 1 . . 37 . A 11 GLU CA . 34396 1 37 . 1 . 1 11 11 GLU CB C 13 29.4 . . 1 . . 38 . A 11 GLU CB . 34396 1 38 . 1 . 1 11 11 GLU N N 15 118.4 . . 1 . . 35 . A 11 GLU N . 34396 1 39 . 1 . 1 12 12 VAL H H 1 8.5 . . 1 . . 41 . A 12 VAL H . 34396 1 40 . 1 . 1 12 12 VAL C C 13 171.3 . . 1 . . 39 . A 12 VAL C . 34396 1 41 . 1 . 1 12 12 VAL CA C 13 57.7 . . 1 . . 42 . A 12 VAL CA . 34396 1 42 . 1 . 1 12 12 VAL CB C 13 30.7 . . 1 . . 43 . A 12 VAL CB . 34396 1 43 . 1 . 1 12 12 VAL N N 15 120.0 . . 1 . . 40 . A 12 VAL N . 34396 1 44 . 1 . 1 13 13 HIS H H 1 8.9 . . 1 . . 46 . A 13 HIS H . 34396 1 45 . 1 . 1 13 13 HIS C C 13 171.3 . . 1 . . 44 . A 13 HIS C . 34396 1 46 . 1 . 1 13 13 HIS CA C 13 51.9 . . 1 . . 47 . A 13 HIS CA . 34396 1 47 . 1 . 1 13 13 HIS CB C 13 31.2 . . 1 . . 48 . A 13 HIS CB . 34396 1 48 . 1 . 1 13 13 HIS N N 15 123.0 . . 1 . . 45 . A 13 HIS N . 34396 1 49 . 1 . 1 14 14 HIS H H 1 8.5 . . 1 . . 51 . A 14 HIS H . 34396 1 50 . 1 . 1 14 14 HIS C C 13 171.0 . . 1 . . 49 . A 14 HIS C . 34396 1 51 . 1 . 1 14 14 HIS CA C 13 52.5 . . 1 . . 52 . A 14 HIS CA . 34396 1 52 . 1 . 1 14 14 HIS CB C 13 29.8 . . 1 . . 53 . A 14 HIS CB . 34396 1 53 . 1 . 1 14 14 HIS N N 15 116.7 . . 1 . . 50 . A 14 HIS N . 34396 1 54 . 1 . 1 15 15 GLN H H 1 8.8 . . 1 . . 56 . A 15 GLN H . 34396 1 55 . 1 . 1 15 15 GLN C C 13 169.6 . . 1 . . 54 . A 15 GLN C . 34396 1 56 . 1 . 1 15 15 GLN CA C 13 52.1 . . 1 . . 57 . A 15 GLN CA . 34396 1 57 . 1 . 1 15 15 GLN CB C 13 30.1 . . 1 . . 58 . A 15 GLN CB . 34396 1 58 . 1 . 1 15 15 GLN N N 15 116.8 . . 1 . . 55 . A 15 GLN N . 34396 1 59 . 1 . 1 16 16 LYS H H 1 8.6 . . 1 . . 61 . A 16 LYS H . 34396 1 60 . 1 . 1 16 16 LYS C C 13 169.9 . . 1 . . 59 . A 16 LYS C . 34396 1 61 . 1 . 1 16 16 LYS CA C 13 50.2 . . 1 . . 62 . A 16 LYS CA . 34396 1 62 . 1 . 1 16 16 LYS CB C 13 32.3 . . 1 . . 63 . A 16 LYS CB . 34396 1 63 . 1 . 1 16 16 LYS N N 15 119.2 . . 1 . . 60 . A 16 LYS N . 34396 1 64 . 1 . 1 17 17 LEU H H 1 9.1 . . 1 . . 66 . A 17 LEU H . 34396 1 65 . 1 . 1 17 17 LEU C C 13 171.1 . . 1 . . 64 . A 17 LEU C . 34396 1 66 . 1 . 1 17 17 LEU CA C 13 51.5 . . 1 . . 67 . A 17 LEU CA . 34396 1 67 . 1 . 1 17 17 LEU CB C 13 43.0 . . 1 . . 68 . A 17 LEU CB . 34396 1 68 . 1 . 1 17 17 LEU N N 15 120.8 . . 1 . . 65 . A 17 LEU N . 34396 1 69 . 1 . 1 18 18 VAL H H 1 8.1 . . 1 . . 71 . A 18 VAL H . 34396 1 70 . 1 . 1 18 18 VAL C C 13 170.7 . . 1 . . 69 . A 18 VAL C . 34396 1 71 . 1 . 1 18 18 VAL CA C 13 57.1 . . 1 . . 72 . A 18 VAL CA . 34396 1 72 . 1 . 1 18 18 VAL CB C 13 31.9 . . 1 . . 73 . A 18 VAL CB . 34396 1 73 . 1 . 1 18 18 VAL N N 15 118.3 . . 1 . . 70 . A 18 VAL N . 34396 1 74 . 1 . 1 19 19 PHE H H 1 9.2 . . 1 . . 76 . A 19 PHE H . 34396 1 75 . 1 . 1 19 19 PHE C C 13 170.3 . . 1 . . 74 . A 19 PHE C . 34396 1 76 . 1 . 1 19 19 PHE CA C 13 53.3 . . 1 . . 77 . A 19 PHE CA . 34396 1 77 . 1 . 1 19 19 PHE CB C 13 39.3 . . 1 . . 78 . A 19 PHE CB . 34396 1 78 . 1 . 1 19 19 PHE N N 15 122.9 . . 1 . . 75 . A 19 PHE N . 34396 1 79 . 1 . 1 20 20 PHE H H 1 8.3 . . 1 . . 81 . A 20 PHE H . 34396 1 80 . 1 . 1 20 20 PHE C C 13 169.0 . . 1 . . 79 . A 20 PHE C . 34396 1 81 . 1 . 1 20 20 PHE CA C 13 52.3 . . 1 . . 82 . A 20 PHE CA . 34396 1 82 . 1 . 1 20 20 PHE CB C 13 38.1 . . 1 . . 83 . A 20 PHE CB . 34396 1 83 . 1 . 1 20 20 PHE N N 15 120.5 . . 1 . . 80 . A 20 PHE N . 34396 1 84 . 1 . 1 21 21 ALA H H 1 8.8 . . 1 . . 86 . A 21 ALA H . 34396 1 85 . 1 . 1 21 21 ALA C C 13 170.2 . . 1 . . 84 . A 21 ALA C . 34396 1 86 . 1 . 1 21 21 ALA CA C 13 47.4 . . 1 . . 87 . A 21 ALA CA . 34396 1 87 . 1 . 1 21 21 ALA CB C 13 17.8 . . 1 . . 88 . A 21 ALA CB . 34396 1 88 . 1 . 1 21 21 ALA N N 15 124.8 . . 1 . . 85 . A 21 ALA N . 34396 1 89 . 1 . 1 22 22 GLU H H 1 8.5 . . 1 . . 91 . A 22 GLU H . 34396 1 90 . 1 . 1 22 22 GLU C C 13 171.9 . . 1 . . 89 . A 22 GLU C . 34396 1 91 . 1 . 1 22 22 GLU CA C 13 54.4 . . 1 . . 92 . A 22 GLU CA . 34396 1 92 . 1 . 1 22 22 GLU CB C 13 27.5 . . 1 . . 93 . A 22 GLU CB . 34396 1 93 . 1 . 1 22 22 GLU N N 15 119.6 . . 1 . . 90 . A 22 GLU N . 34396 1 94 . 1 . 1 23 23 ASP H H 1 8.0 . . 1 . . 96 . A 23 ASP H . 34396 1 95 . 1 . 1 23 23 ASP C C 13 172.0 . . 1 . . 94 . A 23 ASP C . 34396 1 96 . 1 . 1 23 23 ASP CA C 13 50.1 . . 1 . . 97 . A 23 ASP CA . 34396 1 97 . 1 . 1 23 23 ASP CB C 13 38.4 . . 1 . . 98 . A 23 ASP CB . 34396 1 98 . 1 . 1 23 23 ASP N N 15 115.2 . . 1 . . 95 . A 23 ASP N . 34396 1 99 . 1 . 1 24 24 VAL H H 1 8.6 . . 1 . . 101 . A 24 VAL H . 34396 1 100 . 1 . 1 24 24 VAL C C 13 172.9 . . 1 . . 99 . A 24 VAL C . 34396 1 101 . 1 . 1 24 24 VAL CA C 13 58.1 . . 1 . . 102 . A 24 VAL CA . 34396 1 102 . 1 . 1 24 24 VAL CB C 13 28.1 . . 1 . . 103 . A 24 VAL CB . 34396 1 103 . 1 . 1 24 24 VAL N N 15 116.7 . . 1 . . 100 . A 24 VAL N . 34396 1 104 . 1 . 1 25 25 GLY H H 1 8.2 . . 1 . . 106 . A 25 GLY H . 34396 1 105 . 1 . 1 25 25 GLY C C 13 171.9 . . 1 . . 104 . A 25 GLY C . 34396 1 106 . 1 . 1 25 25 GLY CA C 13 41.4 . . 1 . . 107 . A 25 GLY CA . 34396 1 107 . 1 . 1 25 25 GLY N N 15 107.9 . . 1 . . 105 . A 25 GLY N . 34396 1 108 . 1 . 1 26 26 SER H H 1 8.8 . . 1 . . 109 . A 26 SER H . 34396 1 109 . 1 . 1 26 26 SER N N 15 113.1 . . 1 . . 108 . A 26 SER N . 34396 1 110 . 1 . 1 27 27 ASN CA C 13 50.1 . . 1 . . 110 . A 27 ASN CA . 34396 1 111 . 1 . 1 27 27 ASN CB C 13 34.7 . . 1 . . 111 . A 27 ASN CB . 34396 1 112 . 1 . 1 28 28 LYS H H 1 7.8 . . 1 . . 114 . A 28 LYS H . 34396 1 113 . 1 . 1 28 28 LYS C C 13 171.0 . . 1 . . 112 . A 28 LYS C . 34396 1 114 . 1 . 1 28 28 LYS CA C 13 52.0 . . 1 . . 115 . A 28 LYS CA . 34396 1 115 . 1 . 1 28 28 LYS CB C 13 31.6 . . 1 . . 116 . A 28 LYS CB . 34396 1 116 . 1 . 1 28 28 LYS N N 15 116.7 . . 1 . . 113 . A 28 LYS N . 34396 1 117 . 1 . 1 29 29 GLY H H 1 8.7 . . 1 . . 119 . A 29 GLY H . 34396 1 118 . 1 . 1 29 29 GLY C C 13 172.0 . . 1 . . 117 . A 29 GLY C . 34396 1 119 . 1 . 1 29 29 GLY CA C 13 40.5 . . 1 . . 120 . A 29 GLY CA . 34396 1 120 . 1 . 1 29 29 GLY N N 15 107.2 . . 1 . . 118 . A 29 GLY N . 34396 1 121 . 1 . 1 30 30 ALA H H 1 8.7 . . 1 . . 123 . A 30 ALA H . 34396 1 122 . 1 . 1 30 30 ALA C C 13 168.0 . . 1 . . 121 . A 30 ALA C . 34396 1 123 . 1 . 1 30 30 ALA CA C 13 47.3 . . 1 . . 124 . A 30 ALA CA . 34396 1 124 . 1 . 1 30 30 ALA CB C 13 20.5 . . 1 . . 125 . A 30 ALA CB . 34396 1 125 . 1 . 1 30 30 ALA N N 15 115.9 . . 1 . . 122 . A 30 ALA N . 34396 1 126 . 1 . 1 31 31 ILE H H 1 8.8 . . 1 . . 128 . A 31 ILE H . 34396 1 127 . 1 . 1 31 31 ILE C C 13 172.4 . . 1 . . 126 . A 31 ILE C . 34396 1 128 . 1 . 1 31 31 ILE CA C 13 57.0 . . 1 . . 129 . A 31 ILE CA . 34396 1 129 . 1 . 1 31 31 ILE CB C 13 38.2 . . 1 . . 130 . A 31 ILE CB . 34396 1 130 . 1 . 1 31 31 ILE N N 15 118.2 . . 1 . . 127 . A 31 ILE N . 34396 1 131 . 1 . 1 32 32 ILE H H 1 8.8 . . 1 . . 133 . A 32 ILE H . 34396 1 132 . 1 . 1 32 32 ILE C C 13 170.2 . . 1 . . 131 . A 32 ILE C . 34396 1 133 . 1 . 1 32 32 ILE CA C 13 56.5 . . 1 . . 134 . A 32 ILE CA . 34396 1 134 . 1 . 1 32 32 ILE CB C 13 38.5 . . 1 . . 135 . A 32 ILE CB . 34396 1 135 . 1 . 1 32 32 ILE N N 15 123.3 . . 1 . . 132 . A 32 ILE N . 34396 1 136 . 1 . 1 33 33 GLY H H 1 8.8 . . 1 . . 138 . A 33 GLY H . 34396 1 137 . 1 . 1 33 33 GLY C C 13 170.9 . . 1 . . 136 . A 33 GLY C . 34396 1 138 . 1 . 1 33 33 GLY CA C 13 41.1 . . 1 . . 139 . A 33 GLY CA . 34396 1 139 . 1 . 1 33 33 GLY N N 15 109.6 . . 1 . . 137 . A 33 GLY N . 34396 1 140 . 1 . 1 34 34 LEU H H 1 9.2 . . 1 . . 142 . A 34 LEU H . 34396 1 141 . 1 . 1 34 34 LEU C C 13 167.5 . . 1 . . 140 . A 34 LEU C . 34396 1 142 . 1 . 1 34 34 LEU CA C 13 51.0 . . 1 . . 143 . A 34 LEU CA . 34396 1 143 . 1 . 1 34 34 LEU CB C 13 44.0 . . 1 . . 144 . A 34 LEU CB . 34396 1 144 . 1 . 1 34 34 LEU N N 15 120.5 . . 1 . . 141 . A 34 LEU N . 34396 1 145 . 1 . 1 35 35 MET H H 1 9.3 . . 1 . . 147 . A 35 MET H . 34396 1 146 . 1 . 1 35 35 MET C C 13 171.0 . . 1 . . 145 . A 35 MET C . 34396 1 147 . 1 . 1 35 35 MET CA C 13 51.8 . . 1 . . 148 . A 35 MET CA . 34396 1 148 . 1 . 1 35 35 MET CB C 13 32.9 . . 1 . . 149 . A 35 MET CB . 34396 1 149 . 1 . 1 35 35 MET N N 15 120.0 . . 1 . . 146 . A 35 MET N . 34396 1 150 . 1 . 1 36 36 VAL H H 1 8.7 . . 1 . . 152 . A 36 VAL H . 34396 1 151 . 1 . 1 36 36 VAL C C 13 170.3 . . 1 . . 150 . A 36 VAL C . 34396 1 152 . 1 . 1 36 36 VAL CA C 13 55.6 . . 1 . . 153 . A 36 VAL CA . 34396 1 153 . 1 . 1 36 36 VAL CB C 13 32.0 . . 1 . . 154 . A 36 VAL CB . 34396 1 154 . 1 . 1 36 36 VAL N N 15 116.7 . . 1 . . 151 . A 36 VAL N . 34396 1 155 . 1 . 1 37 37 GLY H H 1 9.0 . . 1 . . 157 . A 37 GLY H . 34396 1 156 . 1 . 1 37 37 GLY C C 13 171.0 . . 1 . . 155 . A 37 GLY C . 34396 1 157 . 1 . 1 37 37 GLY CA C 13 41.7 . . 1 . . 158 . A 37 GLY CA . 34396 1 158 . 1 . 1 37 37 GLY N N 15 108.0 . . 1 . . 156 . A 37 GLY N . 34396 1 159 . 1 . 1 38 38 GLY H H 1 9.1 . . 1 . . 161 . A 38 GLY H . 34396 1 160 . 1 . 1 38 38 GLY C C 13 167.5 . . 1 . . 159 . A 38 GLY C . 34396 1 161 . 1 . 1 38 38 GLY CA C 13 42.5 . . 1 . . 162 . A 38 GLY CA . 34396 1 162 . 1 . 1 38 38 GLY N N 15 105.0 . . 1 . . 160 . A 38 GLY N . 34396 1 163 . 1 . 1 39 39 VAL H H 1 9.3 . . 1 . . 165 . A 39 VAL H . 34396 1 164 . 1 . 1 39 39 VAL C C 13 167.3 . . 1 . . 163 . A 39 VAL C . 34396 1 165 . 1 . 1 39 39 VAL CA C 13 56.5 . . 1 . . 166 . A 39 VAL CA . 34396 1 166 . 1 . 1 39 39 VAL CB C 13 32.4 . . 1 . . 167 . A 39 VAL CB . 34396 1 167 . 1 . 1 39 39 VAL N N 15 116.3 . . 1 . . 164 . A 39 VAL N . 34396 1 168 . 1 . 1 40 40 VAL H H 1 8.7 . . 1 . . 170 . A 40 VAL H . 34396 1 169 . 1 . 1 40 40 VAL C C 13 169.9 . . 1 . . 168 . A 40 VAL C . 34396 1 170 . 1 . 1 40 40 VAL CA C 13 57.8 . . 1 . . 171 . A 40 VAL CA . 34396 1 171 . 1 . 1 40 40 VAL CB C 13 30.4 . . 1 . . 172 . A 40 VAL CB . 34396 1 172 . 1 . 1 40 40 VAL N N 15 122.7 . . 1 . . 169 . A 40 VAL N . 34396 1 173 . 1 . 1 41 41 ILE H H 1 9.1 . . 1 . . 175 . A 41 ILE H . 34396 1 174 . 1 . 1 41 41 ILE C C 13 172.3 . . 1 . . 173 . A 41 ILE C . 34396 1 175 . 1 . 1 41 41 ILE CA C 13 57.8 . . 1 . . 176 . A 41 ILE CA . 34396 1 176 . 1 . 1 41 41 ILE CB C 13 35.3 . . 1 . . 177 . A 41 ILE CB . 34396 1 177 . 1 . 1 41 41 ILE N N 15 127.3 . . 1 . . 174 . A 41 ILE N . 34396 1 178 . 1 . 1 42 42 ALA H H 1 7.9 . . 1 . . 180 . A 42 ALA H . 34396 1 179 . 1 . 1 42 42 ALA C C 13 171.2 . . 1 . . 178 . A 42 ALA C . 34396 1 180 . 1 . 1 42 42 ALA CA C 13 50.9 . . 1 . . 181 . A 42 ALA CA . 34396 1 181 . 1 . 1 42 42 ALA CB C 13 17.2 . . 1 . . 182 . A 42 ALA CB . 34396 1 182 . 1 . 1 42 42 ALA N N 15 132.9 . . 1 . . 179 . A 42 ALA N . 34396 1 183 . 3 . 1 2 2 ALA CA C 13 49.3 . . 1 . . 1 . C 2 ALA CA . 34396 1 184 . 3 . 1 2 2 ALA CB C 13 15.8 . . 1 . . 2 . C 2 ALA CB . 34396 1 185 . 3 . 1 3 3 GLU H H 1 8.3 . . 1 . . 5 . C 3 GLU H . 34396 1 186 . 3 . 1 3 3 GLU C C 13 173.9 . . 1 . . 3 . C 3 GLU C . 34396 1 187 . 3 . 1 3 3 GLU CA C 13 53.3 . . 1 . . 6 . C 3 GLU CA . 34396 1 188 . 3 . 1 3 3 GLU CB C 13 27.0 . . 1 . . 7 . C 3 GLU CB . 34396 1 189 . 3 . 1 3 3 GLU N N 15 117.8 . . 1 . . 4 . C 3 GLU N . 34396 1 190 . 3 . 1 4 4 PHE H H 1 8.1 . . 1 . . 10 . C 4 PHE H . 34396 1 191 . 3 . 1 4 4 PHE C C 13 172.6 . . 1 . . 8 . C 4 PHE C . 34396 1 192 . 3 . 1 4 4 PHE CA C 13 54.3 . . 1 . . 11 . C 4 PHE CA . 34396 1 193 . 3 . 1 4 4 PHE CB C 13 36.0 . . 1 . . 12 . C 4 PHE CB . 34396 1 194 . 3 . 1 4 4 PHE N N 15 119.2 . . 1 . . 9 . C 4 PHE N . 34396 1 195 . 3 . 1 5 5 ARG H H 1 8.0 . . 1 . . 15 . C 5 ARG H . 34396 1 196 . 3 . 1 5 5 ARG C C 13 171.6 . . 1 . . 13 . C 5 ARG C . 34396 1 197 . 3 . 1 5 5 ARG CA C 13 52.4 . . 1 . . 16 . C 5 ARG CA . 34396 1 198 . 3 . 1 5 5 ARG CB C 13 27.7 . . 1 . . 17 . C 5 ARG CB . 34396 1 199 . 3 . 1 5 5 ARG N N 15 121.3 . . 1 . . 14 . C 5 ARG N . 34396 1 200 . 3 . 1 7 7 ASP CA C 13 51.0 . . 1 . . 18 . C 7 ASP CA . 34396 1 201 . 3 . 1 7 7 ASP CB C 13 37.8 . . 1 . . 19 . C 7 ASP CB . 34396 1 202 . 3 . 1 8 8 SER H H 1 8.2 . . 1 . . 22 . C 8 SER H . 34396 1 203 . 3 . 1 8 8 SER C C 13 172.5 . . 1 . . 20 . C 8 SER C . 34396 1 204 . 3 . 1 8 8 SER CA C 13 55.5 . . 1 . . 23 . C 8 SER CA . 34396 1 205 . 3 . 1 8 8 SER CB C 13 60.6 . . 1 . . 24 . C 8 SER CB . 34396 1 206 . 3 . 1 8 8 SER N N 15 113.9 . . 1 . . 21 . C 8 SER N . 34396 1 207 . 3 . 1 9 9 GLY H H 1 8.4 . . 1 . . 27 . C 9 GLY H . 34396 1 208 . 3 . 1 9 9 GLY C C 13 171.2 . . 1 . . 25 . C 9 GLY C . 34396 1 209 . 3 . 1 9 9 GLY CA C 13 41.9 . . 1 . . 28 . C 9 GLY CA . 34396 1 210 . 3 . 1 9 9 GLY N N 15 107.9 . . 1 . . 26 . C 9 GLY N . 34396 1 211 . 3 . 1 10 10 TYR H H 1 7.6 . . 1 . . 31 . C 10 TYR H . 34396 1 212 . 3 . 1 10 10 TYR C C 13 169.4 . . 1 . . 29 . C 10 TYR C . 34396 1 213 . 3 . 1 10 10 TYR CA C 13 53.0 . . 1 . . 32 . C 10 TYR CA . 34396 1 214 . 3 . 1 10 10 TYR CB C 13 36.6 . . 1 . . 33 . C 10 TYR CB . 34396 1 215 . 3 . 1 10 10 TYR N N 15 114.7 . . 1 . . 30 . C 10 TYR N . 34396 1 216 . 3 . 1 11 11 GLU H H 1 8.5 . . 1 . . 36 . C 11 GLU H . 34396 1 217 . 3 . 1 11 11 GLU C C 13 170.6 . . 1 . . 34 . C 11 GLU C . 34396 1 218 . 3 . 1 11 11 GLU CA C 13 52.0 . . 1 . . 37 . C 11 GLU CA . 34396 1 219 . 3 . 1 11 11 GLU CB C 13 29.4 . . 1 . . 38 . C 11 GLU CB . 34396 1 220 . 3 . 1 11 11 GLU N N 15 118.4 . . 1 . . 35 . C 11 GLU N . 34396 1 221 . 3 . 1 12 12 VAL H H 1 8.5 . . 1 . . 41 . C 12 VAL H . 34396 1 222 . 3 . 1 12 12 VAL C C 13 171.3 . . 1 . . 39 . C 12 VAL C . 34396 1 223 . 3 . 1 12 12 VAL CA C 13 57.7 . . 1 . . 42 . C 12 VAL CA . 34396 1 224 . 3 . 1 12 12 VAL CB C 13 30.7 . . 1 . . 43 . C 12 VAL CB . 34396 1 225 . 3 . 1 12 12 VAL N N 15 120.0 . . 1 . . 40 . C 12 VAL N . 34396 1 226 . 3 . 1 13 13 HIS H H 1 8.9 . . 1 . . 46 . C 13 HIS H . 34396 1 227 . 3 . 1 13 13 HIS C C 13 171.3 . . 1 . . 44 . C 13 HIS C . 34396 1 228 . 3 . 1 13 13 HIS CA C 13 51.9 . . 1 . . 47 . C 13 HIS CA . 34396 1 229 . 3 . 1 13 13 HIS CB C 13 31.2 . . 1 . . 48 . C 13 HIS CB . 34396 1 230 . 3 . 1 13 13 HIS N N 15 123.0 . . 1 . . 45 . C 13 HIS N . 34396 1 231 . 3 . 1 14 14 HIS H H 1 8.5 . . 1 . . 51 . C 14 HIS H . 34396 1 232 . 3 . 1 14 14 HIS C C 13 171.0 . . 1 . . 49 . C 14 HIS C . 34396 1 233 . 3 . 1 14 14 HIS CA C 13 52.5 . . 1 . . 52 . C 14 HIS CA . 34396 1 234 . 3 . 1 14 14 HIS CB C 13 29.8 . . 1 . . 53 . C 14 HIS CB . 34396 1 235 . 3 . 1 14 14 HIS N N 15 116.7 . . 1 . . 50 . C 14 HIS N . 34396 1 236 . 3 . 1 15 15 GLN H H 1 8.8 . . 1 . . 56 . C 15 GLN H . 34396 1 237 . 3 . 1 15 15 GLN C C 13 169.6 . . 1 . . 54 . C 15 GLN C . 34396 1 238 . 3 . 1 15 15 GLN CA C 13 52.1 . . 1 . . 57 . C 15 GLN CA . 34396 1 239 . 3 . 1 15 15 GLN CB C 13 30.1 . . 1 . . 58 . C 15 GLN CB . 34396 1 240 . 3 . 1 15 15 GLN N N 15 116.8 . . 1 . . 55 . C 15 GLN N . 34396 1 241 . 3 . 1 16 16 LYS H H 1 8.6 . . 1 . . 61 . C 16 LYS H . 34396 1 242 . 3 . 1 16 16 LYS C C 13 169.9 . . 1 . . 59 . C 16 LYS C . 34396 1 243 . 3 . 1 16 16 LYS CA C 13 50.2 . . 1 . . 62 . C 16 LYS CA . 34396 1 244 . 3 . 1 16 16 LYS CB C 13 32.3 . . 1 . . 63 . C 16 LYS CB . 34396 1 245 . 3 . 1 16 16 LYS N N 15 119.2 . . 1 . . 60 . C 16 LYS N . 34396 1 246 . 3 . 1 17 17 LEU H H 1 9.1 . . 1 . . 66 . C 17 LEU H . 34396 1 247 . 3 . 1 17 17 LEU C C 13 171.1 . . 1 . . 64 . C 17 LEU C . 34396 1 248 . 3 . 1 17 17 LEU CA C 13 51.5 . . 1 . . 67 . C 17 LEU CA . 34396 1 249 . 3 . 1 17 17 LEU CB C 13 43.0 . . 1 . . 68 . C 17 LEU CB . 34396 1 250 . 3 . 1 17 17 LEU N N 15 120.8 . . 1 . . 65 . C 17 LEU N . 34396 1 251 . 3 . 1 18 18 VAL H H 1 8.1 . . 1 . . 71 . C 18 VAL H . 34396 1 252 . 3 . 1 18 18 VAL C C 13 170.7 . . 1 . . 69 . C 18 VAL C . 34396 1 253 . 3 . 1 18 18 VAL CA C 13 57.1 . . 1 . . 72 . C 18 VAL CA . 34396 1 254 . 3 . 1 18 18 VAL CB C 13 31.9 . . 1 . . 73 . C 18 VAL CB . 34396 1 255 . 3 . 1 18 18 VAL N N 15 118.3 . . 1 . . 70 . C 18 VAL N . 34396 1 256 . 3 . 1 19 19 PHE H H 1 9.2 . . 1 . . 76 . C 19 PHE H . 34396 1 257 . 3 . 1 19 19 PHE C C 13 170.3 . . 1 . . 74 . C 19 PHE C . 34396 1 258 . 3 . 1 19 19 PHE CA C 13 53.3 . . 1 . . 77 . C 19 PHE CA . 34396 1 259 . 3 . 1 19 19 PHE CB C 13 39.3 . . 1 . . 78 . C 19 PHE CB . 34396 1 260 . 3 . 1 19 19 PHE N N 15 122.9 . . 1 . . 75 . C 19 PHE N . 34396 1 261 . 3 . 1 20 20 PHE H H 1 8.3 . . 1 . . 81 . C 20 PHE H . 34396 1 262 . 3 . 1 20 20 PHE C C 13 169.0 . . 1 . . 79 . C 20 PHE C . 34396 1 263 . 3 . 1 20 20 PHE CA C 13 52.3 . . 1 . . 82 . C 20 PHE CA . 34396 1 264 . 3 . 1 20 20 PHE CB C 13 38.1 . . 1 . . 83 . C 20 PHE CB . 34396 1 265 . 3 . 1 20 20 PHE N N 15 120.5 . . 1 . . 80 . C 20 PHE N . 34396 1 266 . 3 . 1 21 21 ALA H H 1 8.8 . . 1 . . 86 . C 21 ALA H . 34396 1 267 . 3 . 1 21 21 ALA C C 13 170.2 . . 1 . . 84 . C 21 ALA C . 34396 1 268 . 3 . 1 21 21 ALA CA C 13 47.4 . . 1 . . 87 . C 21 ALA CA . 34396 1 269 . 3 . 1 21 21 ALA CB C 13 17.8 . . 1 . . 88 . C 21 ALA CB . 34396 1 270 . 3 . 1 21 21 ALA N N 15 124.8 . . 1 . . 85 . C 21 ALA N . 34396 1 271 . 3 . 1 22 22 GLU H H 1 8.5 . . 1 . . 91 . C 22 GLU H . 34396 1 272 . 3 . 1 22 22 GLU C C 13 171.9 . . 1 . . 89 . C 22 GLU C . 34396 1 273 . 3 . 1 22 22 GLU CA C 13 54.4 . . 1 . . 92 . C 22 GLU CA . 34396 1 274 . 3 . 1 22 22 GLU CB C 13 27.5 . . 1 . . 93 . C 22 GLU CB . 34396 1 275 . 3 . 1 22 22 GLU N N 15 119.6 . . 1 . . 90 . C 22 GLU N . 34396 1 276 . 3 . 1 23 23 ASP H H 1 8.0 . . 1 . . 96 . C 23 ASP H . 34396 1 277 . 3 . 1 23 23 ASP C C 13 172.0 . . 1 . . 94 . C 23 ASP C . 34396 1 278 . 3 . 1 23 23 ASP CA C 13 50.1 . . 1 . . 97 . C 23 ASP CA . 34396 1 279 . 3 . 1 23 23 ASP CB C 13 38.4 . . 1 . . 98 . C 23 ASP CB . 34396 1 280 . 3 . 1 23 23 ASP N N 15 115.2 . . 1 . . 95 . C 23 ASP N . 34396 1 281 . 3 . 1 24 24 VAL H H 1 8.6 . . 1 . . 101 . C 24 VAL H . 34396 1 282 . 3 . 1 24 24 VAL C C 13 172.9 . . 1 . . 99 . C 24 VAL C . 34396 1 283 . 3 . 1 24 24 VAL CA C 13 58.1 . . 1 . . 102 . C 24 VAL CA . 34396 1 284 . 3 . 1 24 24 VAL CB C 13 28.1 . . 1 . . 103 . C 24 VAL CB . 34396 1 285 . 3 . 1 24 24 VAL N N 15 116.7 . . 1 . . 100 . C 24 VAL N . 34396 1 286 . 3 . 1 25 25 GLY H H 1 8.2 . . 1 . . 106 . C 25 GLY H . 34396 1 287 . 3 . 1 25 25 GLY C C 13 171.9 . . 1 . . 104 . C 25 GLY C . 34396 1 288 . 3 . 1 25 25 GLY CA C 13 41.4 . . 1 . . 107 . C 25 GLY CA . 34396 1 289 . 3 . 1 25 25 GLY N N 15 107.9 . . 1 . . 105 . C 25 GLY N . 34396 1 290 . 3 . 1 26 26 SER H H 1 8.8 . . 1 . . 109 . C 26 SER H . 34396 1 291 . 3 . 1 26 26 SER N N 15 113.1 . . 1 . . 108 . C 26 SER N . 34396 1 292 . 3 . 1 27 27 ASN CA C 13 50.1 . . 1 . . 110 . C 27 ASN CA . 34396 1 293 . 3 . 1 27 27 ASN CB C 13 34.7 . . 1 . . 111 . C 27 ASN CB . 34396 1 294 . 3 . 1 28 28 LYS H H 1 7.8 . . 1 . . 114 . C 28 LYS H . 34396 1 295 . 3 . 1 28 28 LYS C C 13 171.0 . . 1 . . 112 . C 28 LYS C . 34396 1 296 . 3 . 1 28 28 LYS CA C 13 52.0 . . 1 . . 115 . C 28 LYS CA . 34396 1 297 . 3 . 1 28 28 LYS CB C 13 31.6 . . 1 . . 116 . C 28 LYS CB . 34396 1 298 . 3 . 1 28 28 LYS N N 15 116.7 . . 1 . . 113 . C 28 LYS N . 34396 1 299 . 3 . 1 29 29 GLY H H 1 8.7 . . 1 . . 119 . C 29 GLY H . 34396 1 300 . 3 . 1 29 29 GLY C C 13 172.0 . . 1 . . 117 . C 29 GLY C . 34396 1 301 . 3 . 1 29 29 GLY CA C 13 40.5 . . 1 . . 120 . C 29 GLY CA . 34396 1 302 . 3 . 1 29 29 GLY N N 15 107.2 . . 1 . . 118 . C 29 GLY N . 34396 1 303 . 3 . 1 30 30 ALA H H 1 8.7 . . 1 . . 123 . C 30 ALA H . 34396 1 304 . 3 . 1 30 30 ALA C C 13 168.0 . . 1 . . 121 . C 30 ALA C . 34396 1 305 . 3 . 1 30 30 ALA CA C 13 47.3 . . 1 . . 124 . C 30 ALA CA . 34396 1 306 . 3 . 1 30 30 ALA CB C 13 20.5 . . 1 . . 125 . C 30 ALA CB . 34396 1 307 . 3 . 1 30 30 ALA N N 15 115.9 . . 1 . . 122 . C 30 ALA N . 34396 1 308 . 3 . 1 31 31 ILE H H 1 8.8 . . 1 . . 128 . C 31 ILE H . 34396 1 309 . 3 . 1 31 31 ILE C C 13 172.4 . . 1 . . 126 . C 31 ILE C . 34396 1 310 . 3 . 1 31 31 ILE CA C 13 57.0 . . 1 . . 129 . C 31 ILE CA . 34396 1 311 . 3 . 1 31 31 ILE CB C 13 38.2 . . 1 . . 130 . C 31 ILE CB . 34396 1 312 . 3 . 1 31 31 ILE N N 15 118.2 . . 1 . . 127 . C 31 ILE N . 34396 1 313 . 3 . 1 32 32 ILE H H 1 8.8 . . 1 . . 133 . C 32 ILE H . 34396 1 314 . 3 . 1 32 32 ILE C C 13 170.2 . . 1 . . 131 . C 32 ILE C . 34396 1 315 . 3 . 1 32 32 ILE CA C 13 56.5 . . 1 . . 134 . C 32 ILE CA . 34396 1 316 . 3 . 1 32 32 ILE CB C 13 38.5 . . 1 . . 135 . C 32 ILE CB . 34396 1 317 . 3 . 1 32 32 ILE N N 15 123.3 . . 1 . . 132 . C 32 ILE N . 34396 1 318 . 3 . 1 33 33 GLY H H 1 8.8 . . 1 . . 138 . C 33 GLY H . 34396 1 319 . 3 . 1 33 33 GLY C C 13 170.9 . . 1 . . 136 . C 33 GLY C . 34396 1 320 . 3 . 1 33 33 GLY CA C 13 41.1 . . 1 . . 139 . C 33 GLY CA . 34396 1 321 . 3 . 1 33 33 GLY N N 15 109.6 . . 1 . . 137 . C 33 GLY N . 34396 1 322 . 3 . 1 34 34 LEU H H 1 9.2 . . 1 . . 142 . C 34 LEU H . 34396 1 323 . 3 . 1 34 34 LEU C C 13 167.5 . . 1 . . 140 . C 34 LEU C . 34396 1 324 . 3 . 1 34 34 LEU CA C 13 51.0 . . 1 . . 143 . C 34 LEU CA . 34396 1 325 . 3 . 1 34 34 LEU CB C 13 44.0 . . 1 . . 144 . C 34 LEU CB . 34396 1 326 . 3 . 1 34 34 LEU N N 15 120.5 . . 1 . . 141 . C 34 LEU N . 34396 1 327 . 3 . 1 35 35 MET H H 1 9.3 . . 1 . . 147 . C 35 MET H . 34396 1 328 . 3 . 1 35 35 MET C C 13 171.0 . . 1 . . 145 . C 35 MET C . 34396 1 329 . 3 . 1 35 35 MET CA C 13 51.8 . . 1 . . 148 . C 35 MET CA . 34396 1 330 . 3 . 1 35 35 MET CB C 13 32.9 . . 1 . . 149 . C 35 MET CB . 34396 1 331 . 3 . 1 35 35 MET N N 15 120.0 . . 1 . . 146 . C 35 MET N . 34396 1 332 . 3 . 1 36 36 VAL H H 1 8.7 . . 1 . . 152 . C 36 VAL H . 34396 1 333 . 3 . 1 36 36 VAL C C 13 170.3 . . 1 . . 150 . C 36 VAL C . 34396 1 334 . 3 . 1 36 36 VAL CA C 13 55.6 . . 1 . . 153 . C 36 VAL CA . 34396 1 335 . 3 . 1 36 36 VAL CB C 13 32.0 . . 1 . . 154 . C 36 VAL CB . 34396 1 336 . 3 . 1 36 36 VAL N N 15 116.7 . . 1 . . 151 . C 36 VAL N . 34396 1 337 . 3 . 1 37 37 GLY H H 1 9.0 . . 1 . . 157 . C 37 GLY H . 34396 1 338 . 3 . 1 37 37 GLY C C 13 171.0 . . 1 . . 155 . C 37 GLY C . 34396 1 339 . 3 . 1 37 37 GLY CA C 13 41.7 . . 1 . . 158 . C 37 GLY CA . 34396 1 340 . 3 . 1 37 37 GLY N N 15 108.0 . . 1 . . 156 . C 37 GLY N . 34396 1 341 . 3 . 1 38 38 GLY H H 1 9.1 . . 1 . . 161 . C 38 GLY H . 34396 1 342 . 3 . 1 38 38 GLY C C 13 167.5 . . 1 . . 159 . C 38 GLY C . 34396 1 343 . 3 . 1 38 38 GLY CA C 13 42.5 . . 1 . . 162 . C 38 GLY CA . 34396 1 344 . 3 . 1 38 38 GLY N N 15 105.0 . . 1 . . 160 . C 38 GLY N . 34396 1 345 . 3 . 1 39 39 VAL H H 1 9.3 . . 1 . . 165 . C 39 VAL H . 34396 1 346 . 3 . 1 39 39 VAL C C 13 167.3 . . 1 . . 163 . C 39 VAL C . 34396 1 347 . 3 . 1 39 39 VAL CA C 13 56.5 . . 1 . . 166 . C 39 VAL CA . 34396 1 348 . 3 . 1 39 39 VAL CB C 13 32.4 . . 1 . . 167 . C 39 VAL CB . 34396 1 349 . 3 . 1 39 39 VAL N N 15 116.3 . . 1 . . 164 . C 39 VAL N . 34396 1 350 . 3 . 1 40 40 VAL H H 1 8.7 . . 1 . . 170 . C 40 VAL H . 34396 1 351 . 3 . 1 40 40 VAL C C 13 169.9 . . 1 . . 168 . C 40 VAL C . 34396 1 352 . 3 . 1 40 40 VAL CA C 13 57.8 . . 1 . . 171 . C 40 VAL CA . 34396 1 353 . 3 . 1 40 40 VAL CB C 13 30.4 . . 1 . . 172 . C 40 VAL CB . 34396 1 354 . 3 . 1 40 40 VAL N N 15 122.7 . . 1 . . 169 . C 40 VAL N . 34396 1 355 . 3 . 1 41 41 ILE H H 1 9.1 . . 1 . . 175 . C 41 ILE H . 34396 1 356 . 3 . 1 41 41 ILE C C 13 172.3 . . 1 . . 173 . C 41 ILE C . 34396 1 357 . 3 . 1 41 41 ILE CA C 13 57.8 . . 1 . . 176 . C 41 ILE CA . 34396 1 358 . 3 . 1 41 41 ILE CB C 13 35.3 . . 1 . . 177 . C 41 ILE CB . 34396 1 359 . 3 . 1 41 41 ILE N N 15 127.3 . . 1 . . 174 . C 41 ILE N . 34396 1 360 . 3 . 1 42 42 ALA H H 1 7.9 . . 1 . . 180 . C 42 ALA H . 34396 1 361 . 3 . 1 42 42 ALA C C 13 171.2 . . 1 . . 178 . C 42 ALA C . 34396 1 362 . 3 . 1 42 42 ALA CA C 13 50.9 . . 1 . . 181 . C 42 ALA CA . 34396 1 363 . 3 . 1 42 42 ALA CB C 13 17.2 . . 1 . . 182 . C 42 ALA CB . 34396 1 364 . 3 . 1 42 42 ALA N N 15 132.9 . . 1 . . 179 . C 42 ALA N . 34396 1 365 . 2 . 1 8 8 SER H H 1 7.9 . . 1 . . 184 . B 8 SER H . 34396 1 366 . 2 . 1 8 8 SER N N 15 114.9 . . 1 . . 183 . B 8 SER N . 34396 1 367 . 2 . 1 9 9 GLY CA C 13 41.9 . . 1 . . 185 . B 9 GLY CA . 34396 1 368 . 2 . 1 10 10 TYR H H 1 8.1 . . 1 . . 187 . B 10 TYR H . 34396 1 369 . 2 . 1 10 10 TYR CA C 13 55.1 . . 1 . . 188 . B 10 TYR CA . 34396 1 370 . 2 . 1 10 10 TYR CB C 13 35.0 . . 1 . . 189 . B 10 TYR CB . 34396 1 371 . 2 . 1 10 10 TYR N N 15 120.2 . . 1 . . 186 . B 10 TYR N . 34396 1 372 . 2 . 1 11 11 GLU H H 1 8.4 . . 1 . . 192 . B 11 GLU H . 34396 1 373 . 2 . 1 11 11 GLU C C 13 172.4 . . 1 . . 190 . B 11 GLU C . 34396 1 374 . 2 . 1 11 11 GLU CA C 13 54.2 . . 1 . . 193 . B 11 GLU CA . 34396 1 375 . 2 . 1 11 11 GLU CB C 13 26.6 . . 1 . . 194 . B 11 GLU CB . 34396 1 376 . 2 . 1 11 11 GLU N N 15 119.8 . . 1 . . 191 . B 11 GLU N . 34396 1 377 . 2 . 1 12 12 VAL H H 1 7.9 . . 1 . . 197 . B 12 VAL H . 34396 1 378 . 2 . 1 12 12 VAL C C 13 173.3 . . 1 . . 195 . B 12 VAL C . 34396 1 379 . 2 . 1 12 12 VAL CA C 13 60.0 . . 1 . . 198 . B 12 VAL CA . 34396 1 380 . 2 . 1 12 12 VAL CB C 13 29.0 . . 1 . . 199 . B 12 VAL CB . 34396 1 381 . 2 . 1 12 12 VAL N N 15 117.8 . . 1 . . 196 . B 12 VAL N . 34396 1 382 . 2 . 1 16 16 LYS CA C 13 54.3 . . 1 . . 200 . B 16 LYS CA . 34396 1 383 . 2 . 1 16 16 LYS CB C 13 29.4 . . 1 . . 201 . B 16 LYS CB . 34396 1 384 . 2 . 1 17 17 LEU H H 1 8.0 . . 1 . . 204 . B 17 LEU H . 34396 1 385 . 2 . 1 17 17 LEU C C 13 173.5 . . 1 . . 202 . B 17 LEU C . 34396 1 386 . 2 . 1 17 17 LEU CA C 13 52.9 . . 1 . . 205 . B 17 LEU CA . 34396 1 387 . 2 . 1 17 17 LEU CB C 13 38.8 . . 1 . . 206 . B 17 LEU CB . 34396 1 388 . 2 . 1 17 17 LEU N N 15 119.0 . . 1 . . 203 . B 17 LEU N . 34396 1 389 . 2 . 1 18 18 VAL H H 1 7.8 . . 1 . . 209 . B 18 VAL H . 34396 1 390 . 2 . 1 18 18 VAL C C 13 171.0 . . 1 . . 207 . B 18 VAL C . 34396 1 391 . 2 . 1 18 18 VAL CA C 13 60.8 . . 1 . . 210 . B 18 VAL CA . 34396 1 392 . 2 . 1 18 18 VAL CB C 13 29.0 . . 1 . . 211 . B 18 VAL CB . 34396 1 393 . 2 . 1 18 18 VAL N N 15 116.7 . . 1 . . 208 . B 18 VAL N . 34396 1 394 . 2 . 1 19 19 PHE H H 1 7.9 . . 1 . . 214 . B 19 PHE H . 34396 1 395 . 2 . 1 19 19 PHE C C 13 172.9 . . 1 . . 212 . B 19 PHE C . 34396 1 396 . 2 . 1 19 19 PHE CA C 13 55.5 . . 1 . . 215 . B 19 PHE CA . 34396 1 397 . 2 . 1 19 19 PHE CB C 13 35.6 . . 1 . . 216 . B 19 PHE CB . 34396 1 398 . 2 . 1 19 19 PHE N N 15 118.6 . . 1 . . 213 . B 19 PHE N . 34396 1 399 . 2 . 1 20 20 PHE H H 1 7.9 . . 1 . . 219 . B 20 PHE H . 34396 1 400 . 2 . 1 20 20 PHE C C 13 172.6 . . 1 . . 217 . B 20 PHE C . 34396 1 401 . 2 . 1 20 20 PHE CA C 13 55.4 . . 1 . . 220 . B 20 PHE CA . 34396 1 402 . 2 . 1 20 20 PHE CB C 13 35.8 . . 1 . . 221 . B 20 PHE CB . 34396 1 403 . 2 . 1 20 20 PHE N N 15 119.4 . . 1 . . 218 . B 20 PHE N . 34396 1 404 . 2 . 1 21 21 ALA H H 1 8.1 . . 1 . . 224 . B 21 ALA H . 34396 1 405 . 2 . 1 21 21 ALA C C 13 172.2 . . 1 . . 222 . B 21 ALA C . 34396 1 406 . 2 . 1 21 21 ALA CA C 13 50.1 . . 1 . . 225 . B 21 ALA CA . 34396 1 407 . 2 . 1 21 21 ALA CB C 13 17.8 . . 1 . . 226 . B 21 ALA CB . 34396 1 408 . 2 . 1 21 21 ALA N N 15 120.2 . . 1 . . 223 . B 21 ALA N . 34396 1 409 . 2 . 1 22 22 GLU H H 1 8.1 . . 1 . . 229 . B 22 GLU H . 34396 1 410 . 2 . 1 22 22 GLU C C 13 174.5 . . 1 . . 227 . B 22 GLU C . 34396 1 411 . 2 . 1 22 22 GLU CA C 13 54.5 . . 1 . . 230 . B 22 GLU CA . 34396 1 412 . 2 . 1 22 22 GLU CB C 13 26.8 . . 1 . . 231 . B 22 GLU CB . 34396 1 413 . 2 . 1 22 22 GLU N N 15 116.0 . . 1 . . 228 . B 22 GLU N . 34396 1 414 . 2 . 1 23 23 ASP H H 1 8.0 . . 1 . . 234 . B 23 ASP H . 34396 1 415 . 2 . 1 23 23 ASP C C 13 173.4 . . 1 . . 232 . B 23 ASP C . 34396 1 416 . 2 . 1 23 23 ASP CA C 13 51.8 . . 1 . . 235 . B 23 ASP CA . 34396 1 417 . 2 . 1 23 23 ASP CB C 13 37.9 . . 1 . . 236 . B 23 ASP CB . 34396 1 418 . 2 . 1 23 23 ASP N N 15 117.6 . . 1 . . 233 . B 23 ASP N . 34396 1 419 . 2 . 1 24 24 VAL H H 1 7.9 . . 1 . . 239 . B 24 VAL H . 34396 1 420 . 2 . 1 24 24 VAL C C 13 173.7 . . 1 . . 237 . B 24 VAL C . 34396 1 421 . 2 . 1 24 24 VAL CA C 13 60.5 . . 1 . . 240 . B 24 VAL CA . 34396 1 422 . 2 . 1 24 24 VAL CB C 13 28.7 . . 1 . . 241 . B 24 VAL CB . 34396 1 423 . 2 . 1 24 24 VAL N N 15 117.1 . . 1 . . 238 . B 24 VAL N . 34396 1 424 . 2 . 1 25 25 GLY H H 1 8.3 . . 1 . . 243 . B 25 GLY H . 34396 1 425 . 2 . 1 25 25 GLY N N 15 106.9 . . 1 . . 242 . B 25 GLY N . 34396 1 426 . 2 . 1 26 26 SER H H 1 7.8 . . 1 . . 245 . B 26 SER H . 34396 1 427 . 2 . 1 26 26 SER N N 15 113.3 . . 1 . . 244 . B 26 SER N . 34396 1 428 . 2 . 1 28 28 LYS H H 1 8.1 . . 1 . . 248 . B 28 LYS H . 34396 1 429 . 2 . 1 28 28 LYS C C 13 171.0 . . 1 . . 246 . B 28 LYS C . 34396 1 430 . 2 . 1 28 28 LYS CA C 13 53.0 . . 1 . . 249 . B 28 LYS CA . 34396 1 431 . 2 . 1 28 28 LYS CB C 13 29.6 . . 1 . . 250 . B 28 LYS CB . 34396 1 432 . 2 . 1 28 28 LYS N N 15 118.4 . . 1 . . 247 . B 28 LYS N . 34396 1 433 . 2 . 1 29 29 GLY H H 1 8.3 . . 1 . . 253 . B 29 GLY H . 34396 1 434 . 2 . 1 29 29 GLY C C 13 173.1 . . 1 . . 251 . B 29 GLY C . 34396 1 435 . 2 . 1 29 29 GLY CA C 13 41.1 . . 1 . . 254 . B 29 GLY CA . 34396 1 436 . 2 . 1 29 29 GLY N N 15 108.6 . . 1 . . 252 . B 29 GLY N . 34396 1 437 . 2 . 1 30 30 ALA H H 1 8.3 . . 1 . . 257 . B 30 ALA H . 34396 1 438 . 2 . 1 30 30 ALA C C 13 169.7 . . 1 . . 255 . B 30 ALA C . 34396 1 439 . 2 . 1 30 30 ALA CA C 13 48.7 . . 1 . . 258 . B 30 ALA CA . 34396 1 440 . 2 . 1 30 30 ALA CB C 13 18.5 . . 1 . . 259 . B 30 ALA CB . 34396 1 441 . 2 . 1 30 30 ALA N N 15 119.7 . . 1 . . 256 . B 30 ALA N . 34396 1 442 . 2 . 1 31 31 ILE H H 1 8.9 . . 1 . . 262 . B 31 ILE H . 34396 1 443 . 2 . 1 31 31 ILE C C 13 172.1 . . 1 . . 260 . B 31 ILE C . 34396 1 444 . 2 . 1 31 31 ILE CA C 13 57.4 . . 1 . . 263 . B 31 ILE CA . 34396 1 445 . 2 . 1 31 31 ILE CB C 13 38.7 . . 1 . . 264 . B 31 ILE CB . 34396 1 446 . 2 . 1 31 31 ILE N N 15 117.6 . . 1 . . 261 . B 31 ILE N . 34396 1 447 . 2 . 1 32 32 ILE H H 1 8.7 . . 1 . . 267 . B 32 ILE H . 34396 1 448 . 2 . 1 32 32 ILE C C 13 171.1 . . 1 . . 265 . B 32 ILE C . 34396 1 449 . 2 . 1 32 32 ILE CA C 13 56.7 . . 1 . . 268 . B 32 ILE CA . 34396 1 450 . 2 . 1 32 32 ILE CB C 13 38.1 . . 1 . . 269 . B 32 ILE CB . 34396 1 451 . 2 . 1 32 32 ILE N N 15 123.0 . . 1 . . 266 . B 32 ILE N . 34396 1 452 . 2 . 1 33 33 GLY H H 1 9.3 . . 1 . . 272 . B 33 GLY H . 34396 1 453 . 2 . 1 33 33 GLY C C 13 171.3 . . 1 . . 270 . B 33 GLY C . 34396 1 454 . 2 . 1 33 33 GLY CA C 13 42.1 . . 1 . . 273 . B 33 GLY CA . 34396 1 455 . 2 . 1 33 33 GLY N N 15 109.9 . . 1 . . 271 . B 33 GLY N . 34396 1 456 . 2 . 1 34 34 LEU H H 1 9.1 . . 1 . . 276 . B 34 LEU H . 34396 1 457 . 2 . 1 34 34 LEU C C 13 171.3 . . 1 . . 274 . B 34 LEU C . 34396 1 458 . 2 . 1 34 34 LEU CA C 13 50.4 . . 1 . . 277 . B 34 LEU CA . 34396 1 459 . 2 . 1 34 34 LEU CB C 13 44.8 . . 1 . . 278 . B 34 LEU CB . 34396 1 460 . 2 . 1 34 34 LEU N N 15 119.3 . . 1 . . 275 . B 34 LEU N . 34396 1 461 . 2 . 1 35 35 MET H H 1 9.0 . . 1 . . 281 . B 35 MET H . 34396 1 462 . 2 . 1 35 35 MET C C 13 170.8 . . 1 . . 279 . B 35 MET C . 34396 1 463 . 2 . 1 35 35 MET CA C 13 50.8 . . 1 . . 282 . B 35 MET CA . 34396 1 464 . 2 . 1 35 35 MET CB C 13 33.6 . . 1 . . 283 . B 35 MET CB . 34396 1 465 . 2 . 1 35 35 MET N N 15 117.4 . . 1 . . 280 . B 35 MET N . 34396 1 466 . 2 . 1 36 36 VAL H H 1 8.9 . . 1 . . 286 . B 36 VAL H . 34396 1 467 . 2 . 1 36 36 VAL C C 13 172.4 . . 1 . . 284 . B 36 VAL C . 34396 1 468 . 2 . 1 36 36 VAL CA C 13 57.0 . . 1 . . 287 . B 36 VAL CA . 34396 1 469 . 2 . 1 36 36 VAL CB C 13 31.9 . . 1 . . 288 . B 36 VAL CB . 34396 1 470 . 2 . 1 36 36 VAL N N 15 118.1 . . 1 . . 285 . B 36 VAL N . 34396 1 471 . 2 . 1 37 37 GLY H H 1 9.1 . . 1 . . 291 . B 37 GLY H . 34396 1 472 . 2 . 1 37 37 GLY C C 13 170.6 . . 1 . . 289 . B 37 GLY C . 34396 1 473 . 2 . 1 37 37 GLY CA C 13 41.6 . . 1 . . 292 . B 37 GLY CA . 34396 1 474 . 2 . 1 37 37 GLY N N 15 109.3 . . 1 . . 290 . B 37 GLY N . 34396 1 475 . 2 . 1 38 38 GLY H H 1 9.1 . . 1 . . 295 . B 38 GLY H . 34396 1 476 . 2 . 1 38 38 GLY C C 13 167.6 . . 1 . . 293 . B 38 GLY C . 34396 1 477 . 2 . 1 38 38 GLY CA C 13 41.8 . . 1 . . 296 . B 38 GLY CA . 34396 1 478 . 2 . 1 38 38 GLY N N 15 104.4 . . 1 . . 294 . B 38 GLY N . 34396 1 479 . 2 . 1 39 39 VAL H H 1 8.9 . . 1 . . 299 . B 39 VAL H . 34396 1 480 . 2 . 1 39 39 VAL C C 13 166.9 . . 1 . . 297 . B 39 VAL C . 34396 1 481 . 2 . 1 39 39 VAL CA C 13 55.6 . . 1 . . 300 . B 39 VAL CA . 34396 1 482 . 2 . 1 39 39 VAL CB C 13 32.4 . . 1 . . 301 . B 39 VAL CB . 34396 1 483 . 2 . 1 39 39 VAL N N 15 116.1 . . 1 . . 298 . B 39 VAL N . 34396 1 484 . 2 . 1 40 40 VAL H H 1 8.7 . . 1 . . 304 . B 40 VAL H . 34396 1 485 . 2 . 1 40 40 VAL C C 13 169.4 . . 1 . . 302 . B 40 VAL C . 34396 1 486 . 2 . 1 40 40 VAL CA C 13 57.8 . . 1 . . 305 . B 40 VAL CA . 34396 1 487 . 2 . 1 40 40 VAL CB C 13 31.6 . . 1 . . 306 . B 40 VAL CB . 34396 1 488 . 2 . 1 40 40 VAL N N 15 122.2 . . 1 . . 303 . B 40 VAL N . 34396 1 489 . 2 . 1 41 41 ILE H H 1 9.1 . . 1 . . 309 . B 41 ILE H . 34396 1 490 . 2 . 1 41 41 ILE C C 13 171.2 . . 1 . . 307 . B 41 ILE C . 34396 1 491 . 2 . 1 41 41 ILE CA C 13 57.0 . . 1 . . 310 . B 41 ILE CA . 34396 1 492 . 2 . 1 41 41 ILE CB C 13 37.2 . . 1 . . 311 . B 41 ILE CB . 34396 1 493 . 2 . 1 41 41 ILE N N 15 125.6 . . 1 . . 308 . B 41 ILE N . 34396 1 494 . 2 . 1 42 42 ALA H H 1 8.5 . . 1 . . 314 . B 42 ALA H . 34396 1 495 . 2 . 1 42 42 ALA C C 13 171.4 . . 1 . . 312 . B 42 ALA C . 34396 1 496 . 2 . 1 42 42 ALA CA C 13 50.8 . . 1 . . 315 . B 42 ALA CA . 34396 1 497 . 2 . 1 42 42 ALA CB C 13 18.4 . . 1 . . 316 . B 42 ALA CB . 34396 1 498 . 2 . 1 42 42 ALA N N 15 130.6 . . 1 . . 313 . B 42 ALA N . 34396 1 499 . 4 . 1 8 8 SER H H 1 7.9 . . 1 . . 184 . D 8 SER H . 34396 1 500 . 4 . 1 8 8 SER N N 15 114.9 . . 1 . . 183 . D 8 SER N . 34396 1 501 . 4 . 1 9 9 GLY CA C 13 41.9 . . 1 . . 185 . D 9 GLY CA . 34396 1 502 . 4 . 1 10 10 TYR H H 1 8.1 . . 1 . . 187 . D 10 TYR H . 34396 1 503 . 4 . 1 10 10 TYR CA C 13 55.1 . . 1 . . 188 . D 10 TYR CA . 34396 1 504 . 4 . 1 10 10 TYR CB C 13 35.0 . . 1 . . 189 . D 10 TYR CB . 34396 1 505 . 4 . 1 10 10 TYR N N 15 120.2 . . 1 . . 186 . D 10 TYR N . 34396 1 506 . 4 . 1 11 11 GLU H H 1 8.4 . . 1 . . 192 . D 11 GLU H . 34396 1 507 . 4 . 1 11 11 GLU C C 13 172.4 . . 1 . . 190 . D 11 GLU C . 34396 1 508 . 4 . 1 11 11 GLU CA C 13 54.2 . . 1 . . 193 . D 11 GLU CA . 34396 1 509 . 4 . 1 11 11 GLU CB C 13 26.6 . . 1 . . 194 . D 11 GLU CB . 34396 1 510 . 4 . 1 11 11 GLU N N 15 119.8 . . 1 . . 191 . D 11 GLU N . 34396 1 511 . 4 . 1 12 12 VAL H H 1 7.9 . . 1 . . 197 . D 12 VAL H . 34396 1 512 . 4 . 1 12 12 VAL C C 13 173.3 . . 1 . . 195 . D 12 VAL C . 34396 1 513 . 4 . 1 12 12 VAL CA C 13 60.0 . . 1 . . 198 . D 12 VAL CA . 34396 1 514 . 4 . 1 12 12 VAL CB C 13 29.0 . . 1 . . 199 . D 12 VAL CB . 34396 1 515 . 4 . 1 12 12 VAL N N 15 117.8 . . 1 . . 196 . D 12 VAL N . 34396 1 516 . 4 . 1 16 16 LYS CA C 13 54.3 . . 1 . . 200 . D 16 LYS CA . 34396 1 517 . 4 . 1 16 16 LYS CB C 13 29.4 . . 1 . . 201 . D 16 LYS CB . 34396 1 518 . 4 . 1 17 17 LEU H H 1 8.0 . . 1 . . 204 . D 17 LEU H . 34396 1 519 . 4 . 1 17 17 LEU C C 13 173.5 . . 1 . . 202 . D 17 LEU C . 34396 1 520 . 4 . 1 17 17 LEU CA C 13 52.9 . . 1 . . 205 . D 17 LEU CA . 34396 1 521 . 4 . 1 17 17 LEU CB C 13 38.8 . . 1 . . 206 . D 17 LEU CB . 34396 1 522 . 4 . 1 17 17 LEU N N 15 119.0 . . 1 . . 203 . D 17 LEU N . 34396 1 523 . 4 . 1 18 18 VAL H H 1 7.8 . . 1 . . 209 . D 18 VAL H . 34396 1 524 . 4 . 1 18 18 VAL C C 13 171.0 . . 1 . . 207 . D 18 VAL C . 34396 1 525 . 4 . 1 18 18 VAL CA C 13 60.8 . . 1 . . 210 . D 18 VAL CA . 34396 1 526 . 4 . 1 18 18 VAL CB C 13 29.0 . . 1 . . 211 . D 18 VAL CB . 34396 1 527 . 4 . 1 18 18 VAL N N 15 116.7 . . 1 . . 208 . D 18 VAL N . 34396 1 528 . 4 . 1 19 19 PHE H H 1 7.9 . . 1 . . 214 . D 19 PHE H . 34396 1 529 . 4 . 1 19 19 PHE C C 13 172.9 . . 1 . . 212 . D 19 PHE C . 34396 1 530 . 4 . 1 19 19 PHE CA C 13 55.5 . . 1 . . 215 . D 19 PHE CA . 34396 1 531 . 4 . 1 19 19 PHE CB C 13 35.6 . . 1 . . 216 . D 19 PHE CB . 34396 1 532 . 4 . 1 19 19 PHE N N 15 118.6 . . 1 . . 213 . D 19 PHE N . 34396 1 533 . 4 . 1 20 20 PHE H H 1 7.9 . . 1 . . 219 . D 20 PHE H . 34396 1 534 . 4 . 1 20 20 PHE C C 13 172.6 . . 1 . . 217 . D 20 PHE C . 34396 1 535 . 4 . 1 20 20 PHE CA C 13 55.4 . . 1 . . 220 . D 20 PHE CA . 34396 1 536 . 4 . 1 20 20 PHE CB C 13 35.8 . . 1 . . 221 . D 20 PHE CB . 34396 1 537 . 4 . 1 20 20 PHE N N 15 119.4 . . 1 . . 218 . D 20 PHE N . 34396 1 538 . 4 . 1 21 21 ALA H H 1 8.1 . . 1 . . 224 . D 21 ALA H . 34396 1 539 . 4 . 1 21 21 ALA C C 13 172.2 . . 1 . . 222 . D 21 ALA C . 34396 1 540 . 4 . 1 21 21 ALA CA C 13 50.1 . . 1 . . 225 . D 21 ALA CA . 34396 1 541 . 4 . 1 21 21 ALA CB C 13 17.8 . . 1 . . 226 . D 21 ALA CB . 34396 1 542 . 4 . 1 21 21 ALA N N 15 120.2 . . 1 . . 223 . D 21 ALA N . 34396 1 543 . 4 . 1 22 22 GLU H H 1 8.1 . . 1 . . 229 . D 22 GLU H . 34396 1 544 . 4 . 1 22 22 GLU C C 13 174.5 . . 1 . . 227 . D 22 GLU C . 34396 1 545 . 4 . 1 22 22 GLU CA C 13 54.5 . . 1 . . 230 . D 22 GLU CA . 34396 1 546 . 4 . 1 22 22 GLU CB C 13 26.8 . . 1 . . 231 . D 22 GLU CB . 34396 1 547 . 4 . 1 22 22 GLU N N 15 116.0 . . 1 . . 228 . D 22 GLU N . 34396 1 548 . 4 . 1 23 23 ASP H H 1 8.0 . . 1 . . 234 . D 23 ASP H . 34396 1 549 . 4 . 1 23 23 ASP C C 13 173.4 . . 1 . . 232 . D 23 ASP C . 34396 1 550 . 4 . 1 23 23 ASP CA C 13 51.8 . . 1 . . 235 . D 23 ASP CA . 34396 1 551 . 4 . 1 23 23 ASP CB C 13 37.9 . . 1 . . 236 . D 23 ASP CB . 34396 1 552 . 4 . 1 23 23 ASP N N 15 117.6 . . 1 . . 233 . D 23 ASP N . 34396 1 553 . 4 . 1 24 24 VAL H H 1 7.9 . . 1 . . 239 . D 24 VAL H . 34396 1 554 . 4 . 1 24 24 VAL C C 13 173.7 . . 1 . . 237 . D 24 VAL C . 34396 1 555 . 4 . 1 24 24 VAL CA C 13 60.5 . . 1 . . 240 . D 24 VAL CA . 34396 1 556 . 4 . 1 24 24 VAL CB C 13 28.7 . . 1 . . 241 . D 24 VAL CB . 34396 1 557 . 4 . 1 24 24 VAL N N 15 117.1 . . 1 . . 238 . D 24 VAL N . 34396 1 558 . 4 . 1 25 25 GLY H H 1 8.3 . . 1 . . 243 . D 25 GLY H . 34396 1 559 . 4 . 1 25 25 GLY N N 15 106.9 . . 1 . . 242 . D 25 GLY N . 34396 1 560 . 4 . 1 26 26 SER H H 1 7.8 . . 1 . . 245 . D 26 SER H . 34396 1 561 . 4 . 1 26 26 SER N N 15 113.3 . . 1 . . 244 . D 26 SER N . 34396 1 562 . 4 . 1 28 28 LYS H H 1 8.1 . . 1 . . 248 . D 28 LYS H . 34396 1 563 . 4 . 1 28 28 LYS C C 13 171.0 . . 1 . . 246 . D 28 LYS C . 34396 1 564 . 4 . 1 28 28 LYS CA C 13 53.0 . . 1 . . 249 . D 28 LYS CA . 34396 1 565 . 4 . 1 28 28 LYS CB C 13 29.6 . . 1 . . 250 . D 28 LYS CB . 34396 1 566 . 4 . 1 28 28 LYS N N 15 118.4 . . 1 . . 247 . D 28 LYS N . 34396 1 567 . 4 . 1 29 29 GLY H H 1 8.3 . . 1 . . 253 . D 29 GLY H . 34396 1 568 . 4 . 1 29 29 GLY C C 13 173.1 . . 1 . . 251 . D 29 GLY C . 34396 1 569 . 4 . 1 29 29 GLY CA C 13 41.1 . . 1 . . 254 . D 29 GLY CA . 34396 1 570 . 4 . 1 29 29 GLY N N 15 108.6 . . 1 . . 252 . D 29 GLY N . 34396 1 571 . 4 . 1 30 30 ALA H H 1 8.3 . . 1 . . 257 . D 30 ALA H . 34396 1 572 . 4 . 1 30 30 ALA C C 13 169.7 . . 1 . . 255 . D 30 ALA C . 34396 1 573 . 4 . 1 30 30 ALA CA C 13 48.7 . . 1 . . 258 . D 30 ALA CA . 34396 1 574 . 4 . 1 30 30 ALA CB C 13 18.5 . . 1 . . 259 . D 30 ALA CB . 34396 1 575 . 4 . 1 30 30 ALA N N 15 119.7 . . 1 . . 256 . D 30 ALA N . 34396 1 576 . 4 . 1 31 31 ILE H H 1 8.9 . . 1 . . 262 . D 31 ILE H . 34396 1 577 . 4 . 1 31 31 ILE C C 13 172.1 . . 1 . . 260 . D 31 ILE C . 34396 1 578 . 4 . 1 31 31 ILE CA C 13 57.4 . . 1 . . 263 . D 31 ILE CA . 34396 1 579 . 4 . 1 31 31 ILE CB C 13 38.7 . . 1 . . 264 . D 31 ILE CB . 34396 1 580 . 4 . 1 31 31 ILE N N 15 117.6 . . 1 . . 261 . D 31 ILE N . 34396 1 581 . 4 . 1 32 32 ILE H H 1 8.7 . . 1 . . 267 . D 32 ILE H . 34396 1 582 . 4 . 1 32 32 ILE C C 13 171.1 . . 1 . . 265 . D 32 ILE C . 34396 1 583 . 4 . 1 32 32 ILE CA C 13 56.7 . . 1 . . 268 . D 32 ILE CA . 34396 1 584 . 4 . 1 32 32 ILE CB C 13 38.1 . . 1 . . 269 . D 32 ILE CB . 34396 1 585 . 4 . 1 32 32 ILE N N 15 123.0 . . 1 . . 266 . D 32 ILE N . 34396 1 586 . 4 . 1 33 33 GLY H H 1 9.3 . . 1 . . 272 . D 33 GLY H . 34396 1 587 . 4 . 1 33 33 GLY C C 13 171.3 . . 1 . . 270 . D 33 GLY C . 34396 1 588 . 4 . 1 33 33 GLY CA C 13 42.1 . . 1 . . 273 . D 33 GLY CA . 34396 1 589 . 4 . 1 33 33 GLY N N 15 109.9 . . 1 . . 271 . D 33 GLY N . 34396 1 590 . 4 . 1 34 34 LEU H H 1 9.1 . . 1 . . 276 . D 34 LEU H . 34396 1 591 . 4 . 1 34 34 LEU C C 13 171.3 . . 1 . . 274 . D 34 LEU C . 34396 1 592 . 4 . 1 34 34 LEU CA C 13 50.4 . . 1 . . 277 . D 34 LEU CA . 34396 1 593 . 4 . 1 34 34 LEU CB C 13 44.8 . . 1 . . 278 . D 34 LEU CB . 34396 1 594 . 4 . 1 34 34 LEU N N 15 119.3 . . 1 . . 275 . D 34 LEU N . 34396 1 595 . 4 . 1 35 35 MET H H 1 9.0 . . 1 . . 281 . D 35 MET H . 34396 1 596 . 4 . 1 35 35 MET C C 13 170.8 . . 1 . . 279 . D 35 MET C . 34396 1 597 . 4 . 1 35 35 MET CA C 13 50.8 . . 1 . . 282 . D 35 MET CA . 34396 1 598 . 4 . 1 35 35 MET CB C 13 33.6 . . 1 . . 283 . D 35 MET CB . 34396 1 599 . 4 . 1 35 35 MET N N 15 117.4 . . 1 . . 280 . D 35 MET N . 34396 1 600 . 4 . 1 36 36 VAL H H 1 8.9 . . 1 . . 286 . D 36 VAL H . 34396 1 601 . 4 . 1 36 36 VAL C C 13 172.4 . . 1 . . 284 . D 36 VAL C . 34396 1 602 . 4 . 1 36 36 VAL CA C 13 57.0 . . 1 . . 287 . D 36 VAL CA . 34396 1 603 . 4 . 1 36 36 VAL CB C 13 31.9 . . 1 . . 288 . D 36 VAL CB . 34396 1 604 . 4 . 1 36 36 VAL N N 15 118.1 . . 1 . . 285 . D 36 VAL N . 34396 1 605 . 4 . 1 37 37 GLY H H 1 9.1 . . 1 . . 291 . D 37 GLY H . 34396 1 606 . 4 . 1 37 37 GLY C C 13 170.6 . . 1 . . 289 . D 37 GLY C . 34396 1 607 . 4 . 1 37 37 GLY CA C 13 41.6 . . 1 . . 292 . D 37 GLY CA . 34396 1 608 . 4 . 1 37 37 GLY N N 15 109.3 . . 1 . . 290 . D 37 GLY N . 34396 1 609 . 4 . 1 38 38 GLY H H 1 9.1 . . 1 . . 295 . D 38 GLY H . 34396 1 610 . 4 . 1 38 38 GLY C C 13 167.6 . . 1 . . 293 . D 38 GLY C . 34396 1 611 . 4 . 1 38 38 GLY CA C 13 41.8 . . 1 . . 296 . D 38 GLY CA . 34396 1 612 . 4 . 1 38 38 GLY N N 15 104.4 . . 1 . . 294 . D 38 GLY N . 34396 1 613 . 4 . 1 39 39 VAL H H 1 8.9 . . 1 . . 299 . D 39 VAL H . 34396 1 614 . 4 . 1 39 39 VAL C C 13 166.9 . . 1 . . 297 . D 39 VAL C . 34396 1 615 . 4 . 1 39 39 VAL CA C 13 55.6 . . 1 . . 300 . D 39 VAL CA . 34396 1 616 . 4 . 1 39 39 VAL CB C 13 32.4 . . 1 . . 301 . D 39 VAL CB . 34396 1 617 . 4 . 1 39 39 VAL N N 15 116.1 . . 1 . . 298 . D 39 VAL N . 34396 1 618 . 4 . 1 40 40 VAL H H 1 8.7 . . 1 . . 304 . D 40 VAL H . 34396 1 619 . 4 . 1 40 40 VAL C C 13 169.4 . . 1 . . 302 . D 40 VAL C . 34396 1 620 . 4 . 1 40 40 VAL CA C 13 57.8 . . 1 . . 305 . D 40 VAL CA . 34396 1 621 . 4 . 1 40 40 VAL CB C 13 31.6 . . 1 . . 306 . D 40 VAL CB . 34396 1 622 . 4 . 1 40 40 VAL N N 15 122.2 . . 1 . . 303 . D 40 VAL N . 34396 1 623 . 4 . 1 41 41 ILE H H 1 9.1 . . 1 . . 309 . D 41 ILE H . 34396 1 624 . 4 . 1 41 41 ILE C C 13 171.2 . . 1 . . 307 . D 41 ILE C . 34396 1 625 . 4 . 1 41 41 ILE CA C 13 57.0 . . 1 . . 310 . D 41 ILE CA . 34396 1 626 . 4 . 1 41 41 ILE CB C 13 37.2 . . 1 . . 311 . D 41 ILE CB . 34396 1 627 . 4 . 1 41 41 ILE N N 15 125.6 . . 1 . . 308 . D 41 ILE N . 34396 1 628 . 4 . 1 42 42 ALA H H 1 8.5 . . 1 . . 314 . D 42 ALA H . 34396 1 629 . 4 . 1 42 42 ALA C C 13 171.4 . . 1 . . 312 . D 42 ALA C . 34396 1 630 . 4 . 1 42 42 ALA CA C 13 50.8 . . 1 . . 315 . D 42 ALA CA . 34396 1 631 . 4 . 1 42 42 ALA CB C 13 18.4 . . 1 . . 316 . D 42 ALA CB . 34396 1 632 . 4 . 1 42 42 ALA N N 15 130.6 . . 1 . . 313 . D 42 ALA N . 34396 1 stop_ save_