data_30316 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30316 _Entry.Title ; Structure of monomeric Interleukin-8 (1-66) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-07-06 _Entry.Accession_date 2017-07-06 _Entry.Last_release_date 2017-10-09 _Entry.Original_release_date 2017-10-09 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . 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 S. Berkamp S. . . . 30316 2 S. Opella S. J. . . 30316 3 F. Marassi F. M. . . 30316 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID CYTOKINE . 30316 Interleukin-8 . 30316 chemokine-fold . 30316 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30316 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 251 30316 '15N chemical shifts' 61 30316 '1H chemical shifts' 399 30316 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 . . 2018-03-09 2017-07-06 update BMRB 'update entry citation' 30316 1 . . 2017-11-20 2017-07-06 original author 'original release' 30316 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5WDZ 'BMRB Entry Tracking System' 30316 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30316 _Citation.ID 1 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Interaction of Monomeric Interleukin-8 with CXCR1 Mapped by Proton-detected Fast MAS Solid-state NMR and Intermolecular Paramagnetic Relaxation Enhancement ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 S. Berkamp S. . . . 30316 1 2 S. Park S. H. . . 30316 1 3 A. 'De Angelis' A. A. . . 30316 1 4 F. Marassi F. M. . . 30316 1 5 S. Opella S. J. . . 30316 1 stop_ save_ save_citation_2 _Citation.Sf_category citations _Citation.Sf_framecode citation_2 _Citation.Entry_ID 30316 _Citation.ID 2 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 29143165 _Citation.Full_citation . _Citation.Title ; Structure of monomeric Interleukin-8 and its interactions with the N-terminal Binding Site-I of CXCR1 by solution NMR spectroscopy ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 69 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 111 _Citation.Page_last 121 _Citation.Year 2017 _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 S. Berkamp S. . . . 30316 2 2 S. Park S. H. . . 30316 2 3 J. Radoicic J. . . . 30316 2 4 A. 'De Angelis' A. A. . . 30316 2 5 S. Opella S. J. . . 30316 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30316 _Assembly.ID 1 _Assembly.Name Interleukin-8 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 30316 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30316 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SAKELRCQCIKTYSKPFHPK FIKELRVIESGPHCANTEII VKLSDGRELCLDPKENWVQR VVEKFL ; _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 66 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7714.061 _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 'C-X-C motif chemokine 8' na 30316 1 'Chemokine (C-X-C motif) ligand 8' na 30316 1 Emoctakin na 30316 1 GCP-1 na 30316 1 'Granulocyte chemotactic protein 1' na 30316 1 IL-8 na 30316 1 MDNCF na 30316 1 MONAP na 30316 1 'Monocyte-derived neutrophil chemotactic factor' na 30316 1 'Monocyte-derived neutrophil-activating peptide' na 30316 1 NAP-1 na 30316 1 'Neutrophil-activating protein 1' na 30316 1 'Protein 3-10C' na 30316 1 'T-cell chemotactic factor' na 30316 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 . SER . 30316 1 2 . ALA . 30316 1 3 . LYS . 30316 1 4 . GLU . 30316 1 5 . LEU . 30316 1 6 . ARG . 30316 1 7 . CYS . 30316 1 8 . GLN . 30316 1 9 . CYS . 30316 1 10 . ILE . 30316 1 11 . LYS . 30316 1 12 . THR . 30316 1 13 . TYR . 30316 1 14 . SER . 30316 1 15 . LYS . 30316 1 16 . PRO . 30316 1 17 . PHE . 30316 1 18 . HIS . 30316 1 19 . PRO . 30316 1 20 . LYS . 30316 1 21 . PHE . 30316 1 22 . ILE . 30316 1 23 . LYS . 30316 1 24 . GLU . 30316 1 25 . LEU . 30316 1 26 . ARG . 30316 1 27 . VAL . 30316 1 28 . ILE . 30316 1 29 . GLU . 30316 1 30 . SER . 30316 1 31 . GLY . 30316 1 32 . PRO . 30316 1 33 . HIS . 30316 1 34 . CYS . 30316 1 35 . ALA . 30316 1 36 . ASN . 30316 1 37 . THR . 30316 1 38 . GLU . 30316 1 39 . ILE . 30316 1 40 . ILE . 30316 1 41 . VAL . 30316 1 42 . LYS . 30316 1 43 . LEU . 30316 1 44 . SER . 30316 1 45 . ASP . 30316 1 46 . GLY . 30316 1 47 . ARG . 30316 1 48 . GLU . 30316 1 49 . LEU . 30316 1 50 . CYS . 30316 1 51 . LEU . 30316 1 52 . ASP . 30316 1 53 . PRO . 30316 1 54 . LYS . 30316 1 55 . GLU . 30316 1 56 . ASN . 30316 1 57 . TRP . 30316 1 58 . VAL . 30316 1 59 . GLN . 30316 1 60 . ARG . 30316 1 61 . VAL . 30316 1 62 . VAL . 30316 1 63 . GLU . 30316 1 64 . LYS . 30316 1 65 . PHE . 30316 1 66 . LEU . 30316 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . SER 1 1 30316 1 . ALA 2 2 30316 1 . LYS 3 3 30316 1 . GLU 4 4 30316 1 . LEU 5 5 30316 1 . ARG 6 6 30316 1 . CYS 7 7 30316 1 . GLN 8 8 30316 1 . CYS 9 9 30316 1 . ILE 10 10 30316 1 . LYS 11 11 30316 1 . THR 12 12 30316 1 . TYR 13 13 30316 1 . SER 14 14 30316 1 . LYS 15 15 30316 1 . PRO 16 16 30316 1 . PHE 17 17 30316 1 . HIS 18 18 30316 1 . PRO 19 19 30316 1 . LYS 20 20 30316 1 . PHE 21 21 30316 1 . ILE 22 22 30316 1 . LYS 23 23 30316 1 . GLU 24 24 30316 1 . LEU 25 25 30316 1 . ARG 26 26 30316 1 . VAL 27 27 30316 1 . ILE 28 28 30316 1 . GLU 29 29 30316 1 . SER 30 30 30316 1 . GLY 31 31 30316 1 . PRO 32 32 30316 1 . HIS 33 33 30316 1 . CYS 34 34 30316 1 . ALA 35 35 30316 1 . ASN 36 36 30316 1 . THR 37 37 30316 1 . GLU 38 38 30316 1 . ILE 39 39 30316 1 . ILE 40 40 30316 1 . VAL 41 41 30316 1 . LYS 42 42 30316 1 . LEU 43 43 30316 1 . SER 44 44 30316 1 . ASP 45 45 30316 1 . GLY 46 46 30316 1 . ARG 47 47 30316 1 . GLU 48 48 30316 1 . LEU 49 49 30316 1 . CYS 50 50 30316 1 . LEU 51 51 30316 1 . ASP 52 52 30316 1 . PRO 53 53 30316 1 . LYS 54 54 30316 1 . GLU 55 55 30316 1 . ASN 56 56 30316 1 . TRP 57 57 30316 1 . VAL 58 58 30316 1 . GLN 59 59 30316 1 . ARG 60 60 30316 1 . VAL 61 61 30316 1 . VAL 62 62 30316 1 . GLU 63 63 30316 1 . LYS 64 64 30316 1 . PHE 65 65 30316 1 . LEU 66 66 30316 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 30316 _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 . . . . . . . . . . . 'CXCL8, IL8' . 30316 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 30316 _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' . . 469008 Escherichia coli BL21(DE3) . . . . . pET32b . . . 30316 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 30316 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM [U-15N] IL-8 1-66, 20 mM HEPES, 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 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 30316 3 2 'IL-8 1-66' [U-15N] . . 1 $entity_1 . . 20 . . mM . . . . 30316 3 stop_ save_ save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30316 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM [U-13C; U-15N] IL-8 1-66, 20 mM HEPES, 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 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 30316 1 2 'IL-8 1-66' '[U-13C; U-15N]' . . 1 $entity_1 . . 20 . . mM . . . . 30316 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30316 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 20 mM [U-15N] IL-8, 20 mM HEPES, 70 mM sodium chloride, 13.5 mg/L Y21M bacteriophage, 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 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 30316 2 2 IL-8 [U-15N] . . 1 $entity_1 . . 20 . . mM . . . . 30316 2 3 'Y21M bacteriophage' 'natural abundance' . . . . . . 13.5 . . mg/L . . . . 30316 2 4 'sodium chloride' 'natural abundance' . . . . . . 70 . . mM . . . . 30316 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 30316 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 20 . mM 30316 1 pH 7.3 . pH 30316 1 pressure 1 . atm 30316 1 temperature 313 . K 30316 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30316 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 30316 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30316 1 'peak picking' 30316 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30316 _Software.ID 2 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version 2.41.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 30316 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30316 2 'structure calculation' 30316 2 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 30316 _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_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 30316 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VS _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 30316 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker Avance . 600 . . . 30316 1 2 NMR_spectrometer_2 Varian VS . 800 . . . 30316 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 30316 _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 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30316 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30316 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30316 1 4 '3D HCC(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30316 1 5 '3D CC(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30316 1 6 '2D IPAP' no . . . . . . . . . . 2 $sample_2 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30316 1 7 '3D NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30316 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 30316 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 30316 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30316 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30316 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 30316 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCA' . . . 30316 1 2 '3D HNCACB' . . . 30316 1 3 '3D HNCO' . . . 30316 1 4 '3D HCC(CO)NH' . . . 30316 1 5 '3D CC(CO)NH' . . . 30316 1 6 '2D IPAP' . . . 30316 1 7 '3D NOESY' . . . 30316 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 SER CA C 13 57.49 . . 1 . . . . A 1 SER CA . 30316 1 2 . 1 1 2 2 ALA H H 1 7.694 . . 1 . . . . A 2 ALA H . 30316 1 3 . 1 1 2 2 ALA CA C 13 56.858 . . 1 . . . . A 2 ALA CA . 30316 1 4 . 1 1 2 2 ALA CB C 13 19.09 . . 1 . . . . A 2 ALA CB . 30316 1 5 . 1 1 2 2 ALA N N 15 128.875 . . 1 . . . . A 2 ALA N . 30316 1 6 . 1 1 3 3 LYS HA H 1 4.199 . . 1 . . . . A 3 LYS HA . 30316 1 7 . 1 1 3 3 LYS HB2 H 1 1.886 . . 1 . . . . A 3 LYS HB2 . 30316 1 8 . 1 1 3 3 LYS HB3 H 1 1.798 . . 1 . . . . A 3 LYS HB3 . 30316 1 9 . 1 1 3 3 LYS HG2 H 1 1.603 . . 1 . . . . A 3 LYS HG2 . 30316 1 10 . 1 1 3 3 LYS HD2 H 1 1.6 . . 1 . . . . A 3 LYS HD2 . 30316 1 11 . 1 1 3 3 LYS HE2 H 1 2.984 . . 1 . . . . A 3 LYS HE2 . 30316 1 12 . 1 1 3 3 LYS C C 13 174.9 . . 1 . . . . A 3 LYS C . 30316 1 13 . 1 1 3 3 LYS CA C 13 57.85 . . 1 . . . . A 3 LYS CA . 30316 1 14 . 1 1 3 3 LYS CB C 13 32.23 . . 1 . . . . A 3 LYS CB . 30316 1 15 . 1 1 3 3 LYS CG C 13 27.78 . . 1 . . . . A 3 LYS CG . 30316 1 16 . 1 1 4 4 GLU H H 1 8.239 . . 1 . . . . A 4 GLU H . 30316 1 17 . 1 1 4 4 GLU HA H 1 4.294 . . 1 . . . . A 4 GLU HA . 30316 1 18 . 1 1 4 4 GLU HB2 H 1 1.936 . . 1 . . . . A 4 GLU HB2 . 30316 1 19 . 1 1 4 4 GLU HG2 H 1 2.229 . . 1 . . . . A 4 GLU HG2 . 30316 1 20 . 1 1 4 4 GLU C C 13 176 . . 1 . . . . A 4 GLU C . 30316 1 21 . 1 1 4 4 GLU CA C 13 56.89 . . 1 . . . . A 4 GLU CA . 30316 1 22 . 1 1 4 4 GLU CB C 13 30.567 . . 1 . . . . A 4 GLU CB . 30316 1 23 . 1 1 4 4 GLU CG C 13 36.46 . . 1 . . . . A 4 GLU CG . 30316 1 24 . 1 1 4 4 GLU N N 15 121.1 . . 1 . . . . A 4 GLU N . 30316 1 25 . 1 1 5 5 LEU H H 1 8.210 . . 1 . . . . A 5 LEU H . 30316 1 26 . 1 1 5 5 LEU HA H 1 4.436 . . 1 . . . . A 5 LEU HA . 30316 1 27 . 1 1 5 5 LEU HB2 H 1 1.545 . . 1 . . . . A 5 LEU HB2 . 30316 1 28 . 1 1 5 5 LEU HB3 H 1 1.718 . . 1 . . . . A 5 LEU HB3 . 30316 1 29 . 1 1 5 5 LEU HG H 1 1.659 . . 1 . . . . A 5 LEU HG . 30316 1 30 . 1 1 5 5 LEU HD11 H 1 0.913 . . 1 . . . . A 5 LEU HD11 . 30316 1 31 . 1 1 5 5 LEU HD12 H 1 0.913 . . 1 . . . . A 5 LEU HD12 . 30316 1 32 . 1 1 5 5 LEU HD13 H 1 0.913 . . 1 . . . . A 5 LEU HD13 . 30316 1 33 . 1 1 5 5 LEU HD21 H 1 0.82 . . 1 . . . . A 5 LEU HD21 . 30316 1 34 . 1 1 5 5 LEU HD22 H 1 0.82 . . 1 . . . . A 5 LEU HD22 . 30316 1 35 . 1 1 5 5 LEU HD23 H 1 0.82 . . 1 . . . . A 5 LEU HD23 . 30316 1 36 . 1 1 5 5 LEU C C 13 176 . . 1 . . . . A 5 LEU C . 30316 1 37 . 1 1 5 5 LEU CA C 13 54.95 . . 1 . . . . A 5 LEU CA . 30316 1 38 . 1 1 5 5 LEU CB C 13 42.06 . . 1 . . . . A 5 LEU CB . 30316 1 39 . 1 1 5 5 LEU CG C 13 27.004 . . 1 . . . . A 5 LEU CG . 30316 1 40 . 1 1 5 5 LEU CD1 C 13 25.398 . . 1 . . . . A 5 LEU CD1 . 30316 1 41 . 1 1 5 5 LEU CD2 C 13 23.355 . . 1 . . . . A 5 LEU CD2 . 30316 1 42 . 1 1 5 5 LEU N N 15 123.649 . . 1 . . . . A 5 LEU N . 30316 1 43 . 1 1 6 6 ARG H H 1 8.135 . . 1 . . . . A 6 ARG H . 30316 1 44 . 1 1 6 6 ARG HA H 1 4.983 . . 1 . . . . A 6 ARG HA . 30316 1 45 . 1 1 6 6 ARG HB2 H 1 2.09 . . 1 . . . . A 6 ARG HB2 . 30316 1 46 . 1 1 6 6 ARG HB3 H 1 1.823 . . 1 . . . . A 6 ARG HB3 . 30316 1 47 . 1 1 6 6 ARG HG2 H 1 1.555 . . 1 . . . . A 6 ARG HG2 . 30316 1 48 . 1 1 6 6 ARG HD2 H 1 3.217 . . 1 . . . . A 6 ARG HD2 . 30316 1 49 . 1 1 6 6 ARG HD3 H 1 2.969 . . 1 . . . . A 6 ARG HD3 . 30316 1 50 . 1 1 6 6 ARG C C 13 175.989 . . 1 . . . . A 6 ARG C . 30316 1 51 . 1 1 6 6 ARG CA C 13 54.91 . . 1 . . . . A 6 ARG CA . 30316 1 52 . 1 1 6 6 ARG CB C 13 32.12 . . 1 . . . . A 6 ARG CB . 30316 1 53 . 1 1 6 6 ARG CG C 13 26.511 . . 1 . . . . A 6 ARG CG . 30316 1 54 . 1 1 6 6 ARG CD C 13 43.856 . . 1 . . . . A 6 ARG CD . 30316 1 55 . 1 1 6 6 ARG N N 15 120.373 . . 1 . . . . A 6 ARG N . 30316 1 56 . 1 1 7 7 CYS H H 1 8.094 . . 1 . . . . A 7 CYS H . 30316 1 57 . 1 1 7 7 CYS HA H 1 4.684 . . 1 . . . . A 7 CYS HA . 30316 1 58 . 1 1 7 7 CYS HB2 H 1 4.028 . . 1 . . . . A 7 CYS HB2 . 30316 1 59 . 1 1 7 7 CYS HB3 H 1 2.7 . . 1 . . . . A 7 CYS HB3 . 30316 1 60 . 1 1 7 7 CYS C C 13 175.502 . . 1 . . . . A 7 CYS C . 30316 1 61 . 1 1 7 7 CYS CA C 13 55.53 . . 1 . . . . A 7 CYS CA . 30316 1 62 . 1 1 7 7 CYS CB C 13 39.467 . . 1 . . . . A 7 CYS CB . 30316 1 63 . 1 1 7 7 CYS N N 15 118.552 . . 1 . . . . A 7 CYS N . 30316 1 64 . 1 1 8 8 GLN H H 1 12.048 . . 1 . . . . A 8 GLN H . 30316 1 65 . 1 1 8 8 GLN HA H 1 4.287 . . 1 . . . . A 8 GLN HA . 30316 1 66 . 1 1 8 8 GLN HB2 H 1 2.147 . . 1 . . . . A 8 GLN HB2 . 30316 1 67 . 1 1 8 8 GLN HB3 H 1 2.034 . . 1 . . . . A 8 GLN HB3 . 30316 1 68 . 1 1 8 8 GLN HG2 H 1 2.385 . . 1 . . . . A 8 GLN HG2 . 30316 1 69 . 1 1 8 8 GLN HE21 H 1 6.67 . . 1 . . . . A 8 GLN HE21 . 30316 1 70 . 1 1 8 8 GLN HE22 H 1 7.645 . . 1 . . . . A 8 GLN HE22 . 30316 1 71 . 1 1 8 8 GLN C C 13 177.939 . . 1 . . . . A 8 GLN C . 30316 1 72 . 1 1 8 8 GLN CA C 13 56.985 . . 1 . . . . A 8 GLN CA . 30316 1 73 . 1 1 8 8 GLN CB C 13 30.88 . . 1 . . . . A 8 GLN CB . 30316 1 74 . 1 1 8 8 GLN CG C 13 34.413 . . 1 . . . . A 8 GLN CG . 30316 1 75 . 1 1 8 8 GLN N N 15 126.879 . . 1 . . . . A 8 GLN N . 30316 1 76 . 1 1 8 8 GLN NE2 N 15 112.843 . . 1 . . . . A 8 GLN NE2 . 30316 1 77 . 1 1 9 9 CYS H H 1 9.595 . . 1 . . . . A 9 CYS H . 30316 1 78 . 1 1 9 9 CYS HA H 1 4.703 . . 1 . . . . A 9 CYS HA . 30316 1 79 . 1 1 9 9 CYS HB2 H 1 3.316 . . 1 . . . . A 9 CYS HB2 . 30316 1 80 . 1 1 9 9 CYS HB3 H 1 2.785 . . 1 . . . . A 9 CYS HB3 . 30316 1 81 . 1 1 9 9 CYS C C 13 174.844 . . 1 . . . . A 9 CYS C . 30316 1 82 . 1 1 9 9 CYS CA C 13 55.37 . . 1 . . . . A 9 CYS CA . 30316 1 83 . 1 1 9 9 CYS CB C 13 42.884 . . 1 . . . . A 9 CYS CB . 30316 1 84 . 1 1 9 9 CYS N N 15 121.545 . . 1 . . . . A 9 CYS N . 30316 1 85 . 1 1 10 10 ILE H H 1 7.317 . . 1 . . . . A 10 ILE H . 30316 1 86 . 1 1 10 10 ILE HA H 1 4.169 . . 1 . . . . A 10 ILE HA . 30316 1 87 . 1 1 10 10 ILE HB H 1 1.959 . . 1 . . . . A 10 ILE HB . 30316 1 88 . 1 1 10 10 ILE HG12 H 1 1.482 . . 1 . . . . A 10 ILE HG12 . 30316 1 89 . 1 1 10 10 ILE HG13 H 1 1.254 . . 1 . . . . A 10 ILE HG13 . 30316 1 90 . 1 1 10 10 ILE HG21 H 1 0.958 . . 1 . . . . A 10 ILE HG21 . 30316 1 91 . 1 1 10 10 ILE HG22 H 1 0.958 . . 1 . . . . A 10 ILE HG22 . 30316 1 92 . 1 1 10 10 ILE HG23 H 1 0.958 . . 1 . . . . A 10 ILE HG23 . 30316 1 93 . 1 1 10 10 ILE HD11 H 1 0.894 . . 1 . . . . A 10 ILE HD11 . 30316 1 94 . 1 1 10 10 ILE HD12 H 1 0.894 . . 1 . . . . A 10 ILE HD12 . 30316 1 95 . 1 1 10 10 ILE HD13 H 1 0.894 . . 1 . . . . A 10 ILE HD13 . 30316 1 96 . 1 1 10 10 ILE CA C 13 62.1 . . 1 . . . . A 10 ILE CA . 30316 1 97 . 1 1 10 10 ILE CB C 13 38.59 . . 1 . . . . A 10 ILE CB . 30316 1 98 . 1 1 10 10 ILE CG1 C 13 27.523 . . 1 . . . . A 10 ILE CG1 . 30316 1 99 . 1 1 10 10 ILE CG2 C 13 17.837 . . 1 . . . . A 10 ILE CG2 . 30316 1 100 . 1 1 10 10 ILE CD1 C 13 12.932 . . 1 . . . . A 10 ILE CD1 . 30316 1 101 . 1 1 10 10 ILE N N 15 127.269 . . 1 . . . . A 10 ILE N . 30316 1 102 . 1 1 11 11 LYS H H 1 7.746 . . 1 . . . . A 11 LYS H . 30316 1 103 . 1 1 11 11 LYS HA H 1 4.58 . . 1 . . . . A 11 LYS HA . 30316 1 104 . 1 1 11 11 LYS HB2 H 1 1.838 . . 1 . . . . A 11 LYS HB2 . 30316 1 105 . 1 1 11 11 LYS HB3 H 1 1.889 . . 1 . . . . A 11 LYS HB3 . 30316 1 106 . 1 1 11 11 LYS HG2 H 1 1.396 . . 1 . . . . A 11 LYS HG2 . 30316 1 107 . 1 1 11 11 LYS HE2 H 1 3.019 . . 1 . . . . A 11 LYS HE2 . 30316 1 108 . 1 1 11 11 LYS C C 13 176.528 . . 1 . . . . A 11 LYS C . 30316 1 109 . 1 1 11 11 LYS CA C 13 55.27 . . 1 . . . . A 11 LYS CA . 30316 1 110 . 1 1 11 11 LYS CB C 13 34.93 . . 1 . . . . A 11 LYS CB . 30316 1 111 . 1 1 11 11 LYS CG C 13 24.518 . . 1 . . . . A 11 LYS CG . 30316 1 112 . 1 1 11 11 LYS CD C 13 29.13 . . 1 . . . . A 11 LYS CD . 30316 1 113 . 1 1 11 11 LYS CE C 13 42.53 . . 1 . . . . A 11 LYS CE . 30316 1 114 . 1 1 11 11 LYS N N 15 118.594 . . 1 . . . . A 11 LYS N . 30316 1 115 . 1 1 12 12 THR H H 1 8.183 . . 1 . . . . A 12 THR H . 30316 1 116 . 1 1 12 12 THR HA H 1 4.663 . . 1 . . . . A 12 THR HA . 30316 1 117 . 1 1 12 12 THR HB H 1 3.984 . . 1 . . . . A 12 THR HB . 30316 1 118 . 1 1 12 12 THR HG21 H 1 1.121 . . 1 . . . . A 12 THR HG1 . 30316 1 119 . 1 1 12 12 THR HG22 H 1 1.121 . . 1 . . . . A 12 THR HG1 . 30316 1 120 . 1 1 12 12 THR HG23 H 1 1.121 . . 1 . . . . A 12 THR HG1 . 30316 1 121 . 1 1 12 12 THR C C 13 173.597 . . 1 . . . . A 12 THR C . 30316 1 122 . 1 1 12 12 THR CA C 13 60.2 . . 1 . . . . A 12 THR CA . 30316 1 123 . 1 1 12 12 THR CB C 13 71.227 . . 1 . . . . A 12 THR CB . 30316 1 124 . 1 1 12 12 THR CG2 C 13 21.818 . . 1 . . . . A 12 THR CG2 . 30316 1 125 . 1 1 12 12 THR N N 15 112.803 . . 1 . . . . A 12 THR N . 30316 1 126 . 1 1 13 13 TYR H H 1 8.877 . . 1 . . . . A 13 TYR H . 30316 1 127 . 1 1 13 13 TYR HA H 1 4.67 . . 1 . . . . A 13 TYR HA . 30316 1 128 . 1 1 13 13 TYR HB2 H 1 3.211 . . 1 . . . . A 13 TYR HB2 . 30316 1 129 . 1 1 13 13 TYR HD1 H 1 7.371 . . 1 . . . . A 13 TYR HD1 . 30316 1 130 . 1 1 13 13 TYR HE1 H 1 7.081 . . 1 . . . . A 13 TYR HE1 . 30316 1 131 . 1 1 13 13 TYR CA C 13 58.6 . . 1 . . . . A 13 TYR CA . 30316 1 132 . 1 1 13 13 TYR CB C 13 40.84 . . 1 . . . . A 13 TYR CB . 30316 1 133 . 1 1 13 13 TYR N N 15 123.695 . . 1 . . . . A 13 TYR N . 30316 1 134 . 1 1 14 14 SER HA H 1 4.77 . . 1 . . . . A 14 SER HA . 30316 1 135 . 1 1 14 14 SER HB2 H 1 4.034 . . 1 . . . . A 14 SER HB2 . 30316 1 136 . 1 1 14 14 SER HB3 H 1 4.07 . . 1 . . . . A 14 SER HB3 . 30316 1 137 . 1 1 14 14 SER CB C 13 64.91 . . 1 . . . . A 14 SER CB . 30316 1 138 . 1 1 15 15 LYS H H 1 7.215 . . 1 . . . . A 15 LYS H . 30316 1 139 . 1 1 15 15 LYS N N 15 126.2 . . 1 . . . . A 15 LYS N . 30316 1 140 . 1 1 16 16 PRO HG2 H 1 0.814 . . 1 . . . . A 16 PRO HG2 . 30316 1 141 . 1 1 16 16 PRO HG3 H 1 1.139 . . 1 . . . . A 16 PRO HG3 . 30316 1 142 . 1 1 16 16 PRO HD2 H 1 3.612 . . 1 . . . . A 16 PRO HD2 . 30316 1 143 . 1 1 16 16 PRO HD3 H 1 3.659 . . 1 . . . . A 16 PRO HD3 . 30316 1 144 . 1 1 16 16 PRO C C 13 176.033 . . 1 . . . . A 16 PRO C . 30316 1 145 . 1 1 16 16 PRO CA C 13 62.69 . . 1 . . . . A 16 PRO CA . 30316 1 146 . 1 1 16 16 PRO CB C 13 31.745 . . 1 . . . . A 16 PRO CB . 30316 1 147 . 1 1 16 16 PRO CG C 13 31.987 . . 1 . . . . A 16 PRO CG . 30316 1 148 . 1 1 16 16 PRO CD C 13 50.34 . . 1 . . . . A 16 PRO CD . 30316 1 149 . 1 1 17 17 PHE H H 1 5.659 . . 1 . . . . A 17 PHE H . 30316 1 150 . 1 1 17 17 PHE HA H 1 4.632 . . 1 . . . . A 17 PHE HA . 30316 1 151 . 1 1 17 17 PHE HB2 H 1 3.108 . . 1 . . . . A 17 PHE HB2 . 30316 1 152 . 1 1 17 17 PHE HD1 H 1 7.376 . . 1 . . . . A 17 PHE HD1 . 30316 1 153 . 1 1 17 17 PHE CA C 13 54.86 . . 1 . . . . A 17 PHE CA . 30316 1 154 . 1 1 17 17 PHE CB C 13 41.2 . . 1 . . . . A 17 PHE CB . 30316 1 155 . 1 1 17 17 PHE N N 15 115.425 . . 1 . . . . A 17 PHE N . 30316 1 156 . 1 1 18 18 HIS H H 1 8.695 . . 1 . . . . A 18 HIS H . 30316 1 157 . 1 1 18 18 HIS HB2 H 1 3.164 . . 1 . . . . A 18 HIS HB2 . 30316 1 158 . 1 1 18 18 HIS HB3 H 1 3.118 . . 1 . . . . A 18 HIS HB3 . 30316 1 159 . 1 1 18 18 HIS HD2 H 1 7.137 . . 1 . . . . A 18 HIS HD2 . 30316 1 160 . 1 1 18 18 HIS CA C 13 56.441 . . 1 . . . . A 18 HIS CA . 30316 1 161 . 1 1 18 18 HIS CB C 13 32.264 . . 1 . . . . A 18 HIS CB . 30316 1 162 . 1 1 18 18 HIS N N 15 122.693 . . 1 . . . . A 18 HIS N . 30316 1 163 . 1 1 19 19 PRO HA H 1 4.185 . . 1 . . . . A 19 PRO HA . 30316 1 164 . 1 1 19 19 PRO HB2 H 1 2.39 . . 1 . . . . A 19 PRO HB2 . 30316 1 165 . 1 1 19 19 PRO HG2 H 1 1.873 . . 1 . . . . A 19 PRO HG2 . 30316 1 166 . 1 1 19 19 PRO HD2 H 1 3.679 . . 1 . . . . A 19 PRO HD2 . 30316 1 167 . 1 1 19 19 PRO CA C 13 64.82 . . 1 . . . . A 19 PRO CA . 30316 1 168 . 1 1 19 19 PRO CB C 13 32.091 . . 1 . . . . A 19 PRO CB . 30316 1 169 . 1 1 19 19 PRO CG C 13 31.936 . . 1 . . . . A 19 PRO CG . 30316 1 170 . 1 1 19 19 PRO CD C 13 50.687 . . 1 . . . . A 19 PRO CD . 30316 1 171 . 1 1 20 20 LYS H H 1 11.104 . . 1 . . . . A 20 LYS H . 30316 1 172 . 1 1 20 20 LYS HA H 1 4.365 . . 1 . . . . A 20 LYS HA . 30316 1 173 . 1 1 20 20 LYS HB2 H 1 1.824 . . 1 . . . . A 20 LYS HB2 . 30316 1 174 . 1 1 20 20 LYS HB3 H 1 1.719 . . 1 . . . . A 20 LYS HB3 . 30316 1 175 . 1 1 20 20 LYS HG2 H 1 0.459 . . 1 . . . . A 20 LYS HG2 . 30316 1 176 . 1 1 20 20 LYS HD2 H 1 0.996 . . 1 . . . . A 20 LYS HD2 . 30316 1 177 . 1 1 20 20 LYS HD3 H 1 0.906 . . 1 . . . . A 20 LYS HD3 . 30316 1 178 . 1 1 20 20 LYS HE2 H 1 2.435 . . 1 . . . . A 20 LYS HE2 . 30316 1 179 . 1 1 20 20 LYS CA C 13 58.45 . . 1 . . . . A 20 LYS CA . 30316 1 180 . 1 1 20 20 LYS CB C 13 30.76 . . 1 . . . . A 20 LYS CB . 30316 1 181 . 1 1 20 20 LYS CG C 13 23.71 . . 1 . . . . A 20 LYS CG . 30316 1 182 . 1 1 20 20 LYS CD C 13 29.07 . . 1 . . . . A 20 LYS CD . 30316 1 183 . 1 1 20 20 LYS CE C 13 41.947 . . 1 . . . . A 20 LYS CE . 30316 1 184 . 1 1 20 20 LYS N N 15 123.374 . . 1 . . . . A 20 LYS N . 30316 1 185 . 1 1 21 21 PHE H H 1 8.001 . . 1 . . . . A 21 PHE H . 30316 1 186 . 1 1 21 21 PHE HA H 1 4.673 . . 1 . . . . A 21 PHE HA . 30316 1 187 . 1 1 21 21 PHE HB2 H 1 3.574 . . 1 . . . . A 21 PHE HB2 . 30316 1 188 . 1 1 21 21 PHE HB3 H 1 3.037 . . 1 . . . . A 21 PHE HB3 . 30316 1 189 . 1 1 21 21 PHE HD1 H 1 7.645 . . 1 . . . . A 21 PHE HD1 . 30316 1 190 . 1 1 21 21 PHE HE1 H 1 7.477 . . 1 . . . . A 21 PHE HE1 . 30316 1 191 . 1 1 21 21 PHE C C 13 175.424 . . 1 . . . . A 21 PHE C . 30316 1 192 . 1 1 21 21 PHE CA C 13 58.71 . . 1 . . . . A 21 PHE CA . 30316 1 193 . 1 1 21 21 PHE CB C 13 39.71 . . 1 . . . . A 21 PHE CB . 30316 1 194 . 1 1 21 21 PHE N N 15 117.618 . . 1 . . . . A 21 PHE N . 30316 1 195 . 1 1 22 22 ILE H H 1 8.031 . . 1 . . . . A 22 ILE H . 30316 1 196 . 1 1 22 22 ILE HA H 1 3.862 . . 1 . . . . A 22 ILE HA . 30316 1 197 . 1 1 22 22 ILE HB H 1 2.176 . . 1 . . . . A 22 ILE HB . 30316 1 198 . 1 1 22 22 ILE HG12 H 1 0.92 . . 1 . . . . A 22 ILE HG12 . 30316 1 199 . 1 1 22 22 ILE HG13 H 1 2.016 . . 1 . . . . A 22 ILE HG13 . 30316 1 200 . 1 1 22 22 ILE HG21 H 1 0.544 . . 1 . . . . A 22 ILE HG21 . 30316 1 201 . 1 1 22 22 ILE HG22 H 1 0.544 . . 1 . . . . A 22 ILE HG22 . 30316 1 202 . 1 1 22 22 ILE HG23 H 1 0.544 . . 1 . . . . A 22 ILE HG23 . 30316 1 203 . 1 1 22 22 ILE HD11 H 1 0.964 . . 1 . . . . A 22 ILE HD11 . 30316 1 204 . 1 1 22 22 ILE HD12 H 1 0.964 . . 1 . . . . A 22 ILE HD12 . 30316 1 205 . 1 1 22 22 ILE HD13 H 1 0.964 . . 1 . . . . A 22 ILE HD13 . 30316 1 206 . 1 1 22 22 ILE C C 13 174.928 . . 1 . . . . A 22 ILE C . 30316 1 207 . 1 1 22 22 ILE CA C 13 63.52 . . 1 . . . . A 22 ILE CA . 30316 1 208 . 1 1 22 22 ILE CB C 13 38.36 . . 1 . . . . A 22 ILE CB . 30316 1 209 . 1 1 22 22 ILE CG1 C 13 29.08 . . 1 . . . . A 22 ILE CG1 . 30316 1 210 . 1 1 22 22 ILE CG2 C 13 17.929 . . 1 . . . . A 22 ILE CG2 . 30316 1 211 . 1 1 22 22 ILE CD1 C 13 14.21 . . 1 . . . . A 22 ILE CD1 . 30316 1 212 . 1 1 22 22 ILE N N 15 119.518 . . 1 . . . . A 22 ILE N . 30316 1 213 . 1 1 23 23 LYS H H 1 9.135 . . 1 . . . . A 23 LYS H . 30316 1 214 . 1 1 23 23 LYS HA H 1 4.578 . . 1 . . . . A 23 LYS HA . 30316 1 215 . 1 1 23 23 LYS HB2 H 1 1.766 . . 1 . . . . A 23 LYS HB2 . 30316 1 216 . 1 1 23 23 LYS HB3 H 1 1.549 . . 1 . . . . A 23 LYS HB3 . 30316 1 217 . 1 1 23 23 LYS HG2 H 1 1.597 . . 1 . . . . A 23 LYS HG2 . 30316 1 218 . 1 1 23 23 LYS HD2 H 1 1.6 . . 1 . . . . A 23 LYS HD2 . 30316 1 219 . 1 1 23 23 LYS HE2 H 1 3.154 . . 1 . . . . A 23 LYS HE2 . 30316 1 220 . 1 1 23 23 LYS HE3 H 1 3.214 . . 1 . . . . A 23 LYS HE3 . 30316 1 221 . 1 1 23 23 LYS C C 13 176.4 . . 1 . . . . A 23 LYS C . 30316 1 222 . 1 1 23 23 LYS CA C 13 56.6 . . 1 . . . . A 23 LYS CA . 30316 1 223 . 1 1 23 23 LYS CB C 13 34.23 . . 1 . . . . A 23 LYS CB . 30316 1 224 . 1 1 23 23 LYS CG C 13 26.979 . . 1 . . . . A 23 LYS CG . 30316 1 225 . 1 1 23 23 LYS CD C 13 27.544 . . 1 . . . . A 23 LYS CD . 30316 1 226 . 1 1 23 23 LYS CE C 13 43.773 . . 1 . . . . A 23 LYS CE . 30316 1 227 . 1 1 23 23 LYS N N 15 128.051 . . 1 . . . . A 23 LYS N . 30316 1 228 . 1 1 24 24 GLU H H 1 7.797 . . 1 . . . . A 24 GLU H . 30316 1 229 . 1 1 24 24 GLU HA H 1 4.624 . . 1 . . . . A 24 GLU HA . 30316 1 230 . 1 1 24 24 GLU HB2 H 1 2.043 . . 1 . . . . A 24 GLU HB2 . 30316 1 231 . 1 1 24 24 GLU HB3 H 1 1.88 . . 1 . . . . A 24 GLU HB3 . 30316 1 232 . 1 1 24 24 GLU HG2 H 1 2.202 . . 1 . . . . A 24 GLU HG2 . 30316 1 233 . 1 1 24 24 GLU HG3 H 1 2.16 . . 1 . . . . A 24 GLU HG3 . 30316 1 234 . 1 1 24 24 GLU C C 13 173.069 . . 1 . . . . A 24 GLU C . 30316 1 235 . 1 1 24 24 GLU CA C 13 55.16 . . 1 . . . . A 24 GLU CA . 30316 1 236 . 1 1 24 24 GLU CB C 13 34.41 . . 1 . . . . A 24 GLU CB . 30316 1 237 . 1 1 24 24 GLU CG C 13 36.54 . . 1 . . . . A 24 GLU CG . 30316 1 238 . 1 1 24 24 GLU N N 15 116.673 . . 1 . . . . A 24 GLU N . 30316 1 239 . 1 1 25 25 LEU H H 1 8.36 . . 1 . . . . A 25 LEU H . 30316 1 240 . 1 1 25 25 LEU HA H 1 4.862 . . 1 . . . . A 25 LEU HA . 30316 1 241 . 1 1 25 25 LEU HB2 H 1 0.866 . . 1 . . . . A 25 LEU HB2 . 30316 1 242 . 1 1 25 25 LEU HB3 H 1 1.037 . . 1 . . . . A 25 LEU HB3 . 30316 1 243 . 1 1 25 25 LEU HG H 1 1.221 . . 1 . . . . A 25 LEU HG . 30316 1 244 . 1 1 25 25 LEU HD21 H 1 0.601 . . 1 . . . . A 25 LEU HD21 . 30316 1 245 . 1 1 25 25 LEU HD22 H 1 0.601 . . 1 . . . . A 25 LEU HD22 . 30316 1 246 . 1 1 25 25 LEU HD23 H 1 0.601 . . 1 . . . . A 25 LEU HD23 . 30316 1 247 . 1 1 25 25 LEU C C 13 174.213 . . 1 . . . . A 25 LEU C . 30316 1 248 . 1 1 25 25 LEU CA C 13 55.451 . . 1 . . . . A 25 LEU CA . 30316 1 249 . 1 1 25 25 LEU CB C 13 45.137 . . 1 . . . . A 25 LEU CB . 30316 1 250 . 1 1 25 25 LEU CG C 13 27.208 . . 1 . . . . A 25 LEU CG . 30316 1 251 . 1 1 25 25 LEU CD2 C 13 22.856 . . 1 . . . . A 25 LEU CD2 . 30316 1 252 . 1 1 25 25 LEU N N 15 125.015 . . 1 . . . . A 25 LEU N . 30316 1 253 . 1 1 26 26 ARG H H 1 9 . . 1 . . . . A 26 ARG H . 30316 1 254 . 1 1 26 26 ARG HA H 1 4.685 . . 1 . . . . A 26 ARG HA . 30316 1 255 . 1 1 26 26 ARG HB2 H 1 1.737 . . 1 . . . . A 26 ARG HB2 . 30316 1 256 . 1 1 26 26 ARG HG2 H 1 1.522 . . 1 . . . . A 26 ARG HG2 . 30316 1 257 . 1 1 26 26 ARG HD2 H 1 3.157 . . 1 . . . . A 26 ARG HD2 . 30316 1 258 . 1 1 26 26 ARG HD3 H 1 2.971 . . 1 . . . . A 26 ARG HD3 . 30316 1 259 . 1 1 26 26 ARG CA C 13 54.99 . . 1 . . . . A 26 ARG CA . 30316 1 260 . 1 1 26 26 ARG CB C 13 33.865 . . 1 . . . . A 26 ARG CB . 30316 1 261 . 1 1 26 26 ARG CG C 13 27.19 . . 1 . . . . A 26 ARG CG . 30316 1 262 . 1 1 26 26 ARG CD C 13 43.91 . . 1 . . . . A 26 ARG CD . 30316 1 263 . 1 1 26 26 ARG N N 15 125.807 . . 1 . . . . A 26 ARG N . 30316 1 264 . 1 1 27 27 VAL H H 1 8.496 . . 1 . . . . A 27 VAL H . 30316 1 265 . 1 1 27 27 VAL HA H 1 4.64 . . 1 . . . . A 27 VAL HA . 30316 1 266 . 1 1 27 27 VAL HB H 1 1.959 . . 1 . . . . A 27 VAL HB . 30316 1 267 . 1 1 27 27 VAL HG11 H 1 0.77 . . 1 . . . . A 27 VAL HG11 . 30316 1 268 . 1 1 27 27 VAL HG12 H 1 0.77 . . 1 . . . . A 27 VAL HG12 . 30316 1 269 . 1 1 27 27 VAL HG13 H 1 0.77 . . 1 . . . . A 27 VAL HG13 . 30316 1 270 . 1 1 27 27 VAL HG21 H 1 0.77 . . 1 . . . . A 27 VAL HG21 . 30316 1 271 . 1 1 27 27 VAL HG22 H 1 0.77 . . 1 . . . . A 27 VAL HG22 . 30316 1 272 . 1 1 27 27 VAL HG23 H 1 0.77 . . 1 . . . . A 27 VAL HG23 . 30316 1 273 . 1 1 27 27 VAL CA C 13 61.54 . . 1 . . . . A 27 VAL CA . 30316 1 274 . 1 1 27 27 VAL CB C 13 33.147 . . 1 . . . . A 27 VAL CB . 30316 1 275 . 1 1 27 27 VAL CG1 C 13 20.748 . . 1 . . . . A 27 VAL CG1 . 30316 1 276 . 1 1 27 27 VAL CG2 C 13 21.01 . . 1 . . . . A 27 VAL CG2 . 30316 1 277 . 1 1 27 27 VAL N N 15 123.525 . . 1 . . . . A 27 VAL N . 30316 1 278 . 1 1 28 28 ILE H H 1 9.583 . . 1 . . . . A 28 ILE H . 30316 1 279 . 1 1 28 28 ILE HA H 1 4.385 . . 1 . . . . A 28 ILE HA . 30316 1 280 . 1 1 28 28 ILE HB H 1 2.078 . . 1 . . . . A 28 ILE HB . 30316 1 281 . 1 1 28 28 ILE HG12 H 1 1.416 . . 1 . . . . A 28 ILE HG12 . 30316 1 282 . 1 1 28 28 ILE HG21 H 1 0.991 . . 1 . . . . A 28 ILE HG21 . 30316 1 283 . 1 1 28 28 ILE HG22 H 1 0.991 . . 1 . . . . A 28 ILE HG22 . 30316 1 284 . 1 1 28 28 ILE HG23 H 1 0.991 . . 1 . . . . A 28 ILE HG23 . 30316 1 285 . 1 1 28 28 ILE HD11 H 1 0.917 . . 1 . . . . A 28 ILE HD11 . 30316 1 286 . 1 1 28 28 ILE HD12 H 1 0.917 . . 1 . . . . A 28 ILE HD12 . 30316 1 287 . 1 1 28 28 ILE HD13 H 1 0.917 . . 1 . . . . A 28 ILE HD13 . 30316 1 288 . 1 1 28 28 ILE CA C 13 60.366 . . 1 . . . . A 28 ILE CA . 30316 1 289 . 1 1 28 28 ILE CB C 13 38.13 . . 1 . . . . A 28 ILE CB . 30316 1 290 . 1 1 28 28 ILE CG1 C 13 27.24 . . 1 . . . . A 28 ILE CG1 . 30316 1 291 . 1 1 28 28 ILE CG2 C 13 18.861 . . 1 . . . . A 28 ILE CG2 . 30316 1 292 . 1 1 28 28 ILE CD1 C 13 14.209 . . 1 . . . . A 28 ILE CD1 . 30316 1 293 . 1 1 28 28 ILE N N 15 129.932 . . 1 . . . . A 28 ILE N . 30316 1 294 . 1 1 29 29 GLU H H 1 8.947 . . 1 . . . . A 29 GLU H . 30316 1 295 . 1 1 29 29 GLU HA H 1 4.387 . . 1 . . . . A 29 GLU HA . 30316 1 296 . 1 1 29 29 GLU HB2 H 1 2.208 . . 1 . . . . A 29 GLU HB2 . 30316 1 297 . 1 1 29 29 GLU HB3 H 1 2.04 . . 1 . . . . A 29 GLU HB3 . 30316 1 298 . 1 1 29 29 GLU HG2 H 1 2.422 . . 1 . . . . A 29 GLU HG2 . 30316 1 299 . 1 1 29 29 GLU C C 13 176.729 . . 1 . . . . A 29 GLU C . 30316 1 300 . 1 1 29 29 GLU CA C 13 57.52 . . 1 . . . . A 29 GLU CA . 30316 1 301 . 1 1 29 29 GLU CB C 13 30.11 . . 1 . . . . A 29 GLU CB . 30316 1 302 . 1 1 29 29 GLU CG C 13 36.462 . . 1 . . . . A 29 GLU CG . 30316 1 303 . 1 1 29 29 GLU N N 15 129.908 . . 1 . . . . A 29 GLU N . 30316 1 304 . 1 1 30 30 SER H H 1 8.059 . . 1 . . . . A 30 SER H . 30316 1 305 . 1 1 30 30 SER HA H 1 4.232 . . 1 . . . . A 30 SER HA . 30316 1 306 . 1 1 30 30 SER HB2 H 1 3.903 . . 1 . . . . A 30 SER HB2 . 30316 1 307 . 1 1 30 30 SER HB3 H 1 3.589 . . 1 . . . . A 30 SER HB3 . 30316 1 308 . 1 1 30 30 SER C C 13 173.522 . . 1 . . . . A 30 SER C . 30316 1 309 . 1 1 30 30 SER CA C 13 58.571 . . 1 . . . . A 30 SER CA . 30316 1 310 . 1 1 30 30 SER CB C 13 64.5 . . 1 . . . . A 30 SER CB . 30316 1 311 . 1 1 30 30 SER N N 15 117.701 . . 1 . . . . A 30 SER N . 30316 1 312 . 1 1 31 31 GLY H H 1 7.995 . . 1 . . . . A 31 GLY H . 30316 1 313 . 1 1 31 31 GLY HA2 H 1 4.416 . . 1 . . . . A 31 GLY HA2 . 30316 1 314 . 1 1 31 31 GLY HA3 H 1 3.582 . . 1 . . . . A 31 GLY HA3 . 30316 1 315 . 1 1 31 31 GLY CA C 13 44.984 . . 1 . . . . A 31 GLY CA . 30316 1 316 . 1 1 31 31 GLY N N 15 107.837 . . 1 . . . . A 31 GLY N . 30316 1 317 . 1 1 32 32 PRO HA H 1 4.417 . . 1 . . . . A 32 PRO HA . 30316 1 318 . 1 1 32 32 PRO HB2 H 1 2.332 . . 1 . . . . A 32 PRO HB2 . 30316 1 319 . 1 1 32 32 PRO HB3 H 1 2.18 . . 1 . . . . A 32 PRO HB3 . 30316 1 320 . 1 1 32 32 PRO HG2 H 1 1.918 . . 1 . . . . A 32 PRO HG2 . 30316 1 321 . 1 1 32 32 PRO HG3 H 1 1.961 . . 1 . . . . A 32 PRO HG3 . 30316 1 322 . 1 1 32 32 PRO HD2 H 1 3.877 . . 1 . . . . A 32 PRO HD2 . 30316 1 323 . 1 1 32 32 PRO HD3 H 1 3.67 . . 1 . . . . A 32 PRO HD3 . 30316 1 324 . 1 1 32 32 PRO C C 13 176.523 . . 1 . . . . A 32 PRO C . 30316 1 325 . 1 1 32 32 PRO CA C 13 64.78 . . 1 . . . . A 32 PRO CA . 30316 1 326 . 1 1 32 32 PRO CB C 13 32.276 . . 1 . . . . A 32 PRO CB . 30316 1 327 . 1 1 32 32 PRO CG C 13 27.513 . . 1 . . . . A 32 PRO CG . 30316 1 328 . 1 1 32 32 PRO CD C 13 49.62 . . 1 . . . . A 32 PRO CD . 30316 1 329 . 1 1 33 33 HIS H H 1 8.153 . . 1 . . . . A 33 HIS H . 30316 1 330 . 1 1 33 33 HIS HA H 1 4.272 . . 1 . . . . A 33 HIS HA . 30316 1 331 . 1 1 33 33 HIS HB2 H 1 2.953 . . 1 . . . . A 33 HIS HB2 . 30316 1 332 . 1 1 33 33 HIS HD2 H 1 6.996 . . 1 . . . . A 33 HIS HD2 . 30316 1 333 . 1 1 33 33 HIS C C 13 174.312 . . 1 . . . . A 33 HIS C . 30316 1 334 . 1 1 33 33 HIS CA C 13 56.71 . . 1 . . . . A 33 HIS CA . 30316 1 335 . 1 1 33 33 HIS CB C 13 30.96 . . 1 . . . . A 33 HIS CB . 30316 1 336 . 1 1 33 33 HIS N N 15 112.316 . . 1 . . . . A 33 HIS N . 30316 1 337 . 1 1 34 34 CYS H H 1 6.369 . . 1 . . . . A 34 CYS H . 30316 1 338 . 1 1 34 34 CYS HA H 1 4.487 . . 1 . . . . A 34 CYS HA . 30316 1 339 . 1 1 34 34 CYS HB2 H 1 3.018 . . 1 . . . . A 34 CYS HB2 . 30316 1 340 . 1 1 34 34 CYS HB3 H 1 2.68 . . 1 . . . . A 34 CYS HB3 . 30316 1 341 . 1 1 34 34 CYS CA C 13 56.871 . . 1 . . . . A 34 CYS CA . 30316 1 342 . 1 1 34 34 CYS CB C 13 42.171 . . 1 . . . . A 34 CYS CB . 30316 1 343 . 1 1 34 34 CYS N N 15 116.563 . . 1 . . . . A 34 CYS N . 30316 1 344 . 1 1 35 35 ALA H H 1 8.729 . . 1 . . . . A 35 ALA H . 30316 1 345 . 1 1 35 35 ALA HA H 1 4.202 . . 1 . . . . A 35 ALA HA . 30316 1 346 . 1 1 35 35 ALA HB1 H 1 1.407 . . 1 . . . . A 35 ALA HB1 . 30316 1 347 . 1 1 35 35 ALA HB2 H 1 1.407 . . 1 . . . . A 35 ALA HB2 . 30316 1 348 . 1 1 35 35 ALA HB3 H 1 1.407 . . 1 . . . . A 35 ALA HB3 . 30316 1 349 . 1 1 35 35 ALA C C 13 176.503 . . 1 . . . . A 35 ALA C . 30316 1 350 . 1 1 35 35 ALA CA C 13 54.109 . . 1 . . . . A 35 ALA CA . 30316 1 351 . 1 1 35 35 ALA CB C 13 19.181 . . 1 . . . . A 35 ALA CB . 30316 1 352 . 1 1 35 35 ALA N N 15 130.616 . . 1 . . . . A 35 ALA N . 30316 1 353 . 1 1 36 36 ASN H H 1 7.389 . . 1 . . . . A 36 ASN H . 30316 1 354 . 1 1 36 36 ASN HA H 1 5.046 . . 1 . . . . A 36 ASN HA . 30316 1 355 . 1 1 36 36 ASN HB2 H 1 2.573 . . 1 . . . . A 36 ASN HB2 . 30316 1 356 . 1 1 36 36 ASN HB3 H 1 2.767 . . 1 . . . . A 36 ASN HB3 . 30316 1 357 . 1 1 36 36 ASN HD21 H 1 7.578 . . 1 . . . . A 36 ASN HD21 . 30316 1 358 . 1 1 36 36 ASN HD22 H 1 6.949 . . 1 . . . . A 36 ASN HD22 . 30316 1 359 . 1 1 36 36 ASN C C 13 174.844 . . 1 . . . . A 36 ASN C . 30316 1 360 . 1 1 36 36 ASN CA C 13 51.54 . . 1 . . . . A 36 ASN CA . 30316 1 361 . 1 1 36 36 ASN CB C 13 40.95 . . 1 . . . . A 36 ASN CB . 30316 1 362 . 1 1 36 36 ASN N N 15 114.079 . . 1 . . . . A 36 ASN N . 30316 1 363 . 1 1 36 36 ASN ND2 N 15 114.275 . . 1 . . . . A 36 ASN ND2 . 30316 1 364 . 1 1 37 37 THR H H 1 8.648 . . 1 . . . . A 37 THR H . 30316 1 365 . 1 1 37 37 THR HA H 1 4.351 . . 1 . . . . A 37 THR HA . 30316 1 366 . 1 1 37 37 THR HB H 1 3.932 . . 1 . . . . A 37 THR HB . 30316 1 367 . 1 1 37 37 THR HG21 H 1 1.103 . . 1 . . . . A 37 THR HG21 . 30316 1 368 . 1 1 37 37 THR HG22 H 1 1.103 . . 1 . . . . A 37 THR HG22 . 30316 1 369 . 1 1 37 37 THR HG23 H 1 1.103 . . 1 . . . . A 37 THR HG23 . 30316 1 370 . 1 1 37 37 THR C C 13 173.477 . . 1 . . . . A 37 THR C . 30316 1 371 . 1 1 37 37 THR CA C 13 63.95 . . 1 . . . . A 37 THR CA . 30316 1 372 . 1 1 37 37 THR CB C 13 69.72 . . 1 . . . . A 37 THR CB . 30316 1 373 . 1 1 37 37 THR CG2 C 13 21.899 . . 1 . . . . A 37 THR CG2 . 30316 1 374 . 1 1 37 37 THR N N 15 121.727 . . 1 . . . . A 37 THR N . 30316 1 375 . 1 1 38 38 GLU H H 1 8.452 . . 1 . . . . A 38 GLU H . 30316 1 376 . 1 1 38 38 GLU HA H 1 4.828 . . 1 . . . . A 38 GLU HA . 30316 1 377 . 1 1 38 38 GLU HB2 H 1 2.057 . . 1 . . . . A 38 GLU HB2 . 30316 1 378 . 1 1 38 38 GLU HB3 H 1 1.999 . . 1 . . . . A 38 GLU HB3 . 30316 1 379 . 1 1 38 38 GLU HG2 H 1 2.461 . . 1 . . . . A 38 GLU HG2 . 30316 1 380 . 1 1 38 38 GLU C C 13 173.948 . . 1 . . . . A 38 GLU C . 30316 1 381 . 1 1 38 38 GLU CA C 13 55.86 . . 1 . . . . A 38 GLU CA . 30316 1 382 . 1 1 38 38 GLU CB C 13 32.82 . . 1 . . . . A 38 GLU CB . 30316 1 383 . 1 1 38 38 GLU CG C 13 39.14 . . 1 . . . . A 38 GLU CG . 30316 1 384 . 1 1 38 38 GLU N N 15 126.101 . . 1 . . . . A 38 GLU N . 30316 1 385 . 1 1 39 39 ILE H H 1 9.141 . . 1 . . . . A 39 ILE H . 30316 1 386 . 1 1 39 39 ILE HA H 1 4.768 . . 1 . . . . A 39 ILE HA . 30316 1 387 . 1 1 39 39 ILE HB H 1 1.855 . . 1 . . . . A 39 ILE HB . 30316 1 388 . 1 1 39 39 ILE HG12 H 1 1.37 . . 1 . . . . A 39 ILE HG12 . 30316 1 389 . 1 1 39 39 ILE HG21 H 1 0.582 . . 1 . . . . A 39 ILE HG21 . 30316 1 390 . 1 1 39 39 ILE HG22 H 1 0.582 . . 1 . . . . A 39 ILE HG22 . 30316 1 391 . 1 1 39 39 ILE HG23 H 1 0.582 . . 1 . . . . A 39 ILE HG23 . 30316 1 392 . 1 1 39 39 ILE HD11 H 1 0.652 . . 1 . . . . A 39 ILE HD11 . 30316 1 393 . 1 1 39 39 ILE HD12 H 1 0.652 . . 1 . . . . A 39 ILE HD12 . 30316 1 394 . 1 1 39 39 ILE HD13 H 1 0.652 . . 1 . . . . A 39 ILE HD13 . 30316 1 395 . 1 1 39 39 ILE C C 13 174.197 . . 1 . . . . A 39 ILE C . 30316 1 396 . 1 1 39 39 ILE CA C 13 60.41 . . 1 . . . . A 39 ILE CA . 30316 1 397 . 1 1 39 39 ILE CB C 13 39.07 . . 1 . . . . A 39 ILE CB . 30316 1 398 . 1 1 39 39 ILE CG1 C 13 27.54 . . 1 . . . . A 39 ILE CG1 . 30316 1 399 . 1 1 39 39 ILE CG2 C 13 17.34 . . 1 . . . . A 39 ILE CG2 . 30316 1 400 . 1 1 39 39 ILE CD1 C 13 14.13 . . 1 . . . . A 39 ILE CD1 . 30316 1 401 . 1 1 39 39 ILE N N 15 124.232 . . 1 . . . . A 39 ILE N . 30316 1 402 . 1 1 40 40 ILE H H 1 8.8 . . 1 . . . . A 40 ILE H . 30316 1 403 . 1 1 40 40 ILE HA H 1 4.87 . . 1 . . . . A 40 ILE HA . 30316 1 404 . 1 1 40 40 ILE HB H 1 1.593 . . 1 . . . . A 40 ILE HB . 30316 1 405 . 1 1 40 40 ILE HG12 H 1 1.138 . . 1 . . . . A 40 ILE HG12 . 30316 1 406 . 1 1 40 40 ILE HG13 H 1 1.445 . . 1 . . . . A 40 ILE HG13 . 30316 1 407 . 1 1 40 40 ILE HG21 H 1 0.8 . . 1 . . . . A 40 ILE HG21 . 30316 1 408 . 1 1 40 40 ILE HG22 H 1 0.8 . . 1 . . . . A 40 ILE HG22 . 30316 1 409 . 1 1 40 40 ILE HG23 H 1 0.8 . . 1 . . . . A 40 ILE HG23 . 30316 1 410 . 1 1 40 40 ILE HD11 H 1 0.736 . . 1 . . . . A 40 ILE HD11 . 30316 1 411 . 1 1 40 40 ILE HD12 H 1 0.736 . . 1 . . . . A 40 ILE HD12 . 30316 1 412 . 1 1 40 40 ILE HD13 H 1 0.736 . . 1 . . . . A 40 ILE HD13 . 30316 1 413 . 1 1 40 40 ILE C C 13 176.487 . . 1 . . . . A 40 ILE C . 30316 1 414 . 1 1 40 40 ILE CA C 13 60.672 . . 1 . . . . A 40 ILE CA . 30316 1 415 . 1 1 40 40 ILE CB C 13 40.5 . . 1 . . . . A 40 ILE CB . 30316 1 416 . 1 1 40 40 ILE CG1 C 13 27.932 . . 1 . . . . A 40 ILE CG1 . 30316 1 417 . 1 1 40 40 ILE CG2 C 13 18.087 . . 1 . . . . A 40 ILE CG2 . 30316 1 418 . 1 1 40 40 ILE CD1 C 13 14.45 . . 1 . . . . A 40 ILE CD1 . 30316 1 419 . 1 1 40 40 ILE N N 15 126.993 . . 1 . . . . A 40 ILE N . 30316 1 420 . 1 1 41 41 VAL H H 1 9.245 . . 1 . . . . A 41 VAL H . 30316 1 421 . 1 1 41 41 VAL HA H 1 5.287 . . 1 . . . . A 41 VAL HA . 30316 1 422 . 1 1 41 41 VAL HB H 1 2.084 . . 1 . . . . A 41 VAL HB . 30316 1 423 . 1 1 41 41 VAL HG11 H 1 0.942 . . 1 . . . . A 41 VAL HG11 . 30316 1 424 . 1 1 41 41 VAL HG12 H 1 0.942 . . 1 . . . . A 41 VAL HG12 . 30316 1 425 . 1 1 41 41 VAL HG13 H 1 0.942 . . 1 . . . . A 41 VAL HG13 . 30316 1 426 . 1 1 41 41 VAL HG21 H 1 0.89 . . 1 . . . . A 41 VAL HG21 . 30316 1 427 . 1 1 41 41 VAL HG22 H 1 0.89 . . 1 . . . . A 41 VAL HG22 . 30316 1 428 . 1 1 41 41 VAL HG23 H 1 0.89 . . 1 . . . . A 41 VAL HG23 . 30316 1 429 . 1 1 41 41 VAL C C 13 173.911 . . 1 . . . . A 41 VAL C . 30316 1 430 . 1 1 41 41 VAL CA C 13 58.17 . . 1 . . . . A 41 VAL CA . 30316 1 431 . 1 1 41 41 VAL CB C 13 35.16 . . 1 . . . . A 41 VAL CB . 30316 1 432 . 1 1 41 41 VAL CG1 C 13 22.79 . . 1 . . . . A 41 VAL CG1 . 30316 1 433 . 1 1 41 41 VAL CG2 C 13 20.718 . . 1 . . . . A 41 VAL CG2 . 30316 1 434 . 1 1 41 41 VAL N N 15 121.837 . . 1 . . . . A 41 VAL N . 30316 1 435 . 1 1 42 42 LYS H H 1 8.468 . . 1 . . . . A 42 LYS H . 30316 1 436 . 1 1 42 42 LYS HA H 1 5.173 . . 1 . . . . A 42 LYS HA . 30316 1 437 . 1 1 42 42 LYS HB2 H 1 1.643 . . 1 . . . . A 42 LYS HB2 . 30316 1 438 . 1 1 42 42 LYS HB3 H 1 1.772 . . 1 . . . . A 42 LYS HB3 . 30316 1 439 . 1 1 42 42 LYS HG2 H 1 1.393 . . 1 . . . . A 42 LYS HG2 . 30316 1 440 . 1 1 42 42 LYS HD2 H 1 1.63 . . 1 . . . . A 42 LYS HD2 . 30316 1 441 . 1 1 42 42 LYS HD3 H 1 1.561 . . 1 . . . . A 42 LYS HD3 . 30316 1 442 . 1 1 42 42 LYS HE2 H 1 2.923 . . 1 . . . . A 42 LYS HE2 . 30316 1 443 . 1 1 42 42 LYS C C 13 176.529 . . 1 . . . . A 42 LYS C . 30316 1 444 . 1 1 42 42 LYS CA C 13 54.59 . . 1 . . . . A 42 LYS CA . 30316 1 445 . 1 1 42 42 LYS CB C 13 35 . . 1 . . . . A 42 LYS CB . 30316 1 446 . 1 1 42 42 LYS CG C 13 24.85 . . 1 . . . . A 42 LYS CG . 30316 1 447 . 1 1 42 42 LYS CD C 13 29.031 . . 1 . . . . A 42 LYS CD . 30316 1 448 . 1 1 42 42 LYS CE C 13 42.14 . . 1 . . . . A 42 LYS CE . 30316 1 449 . 1 1 42 42 LYS N N 15 122.184 . . 1 . . . . A 42 LYS N . 30316 1 450 . 1 1 43 43 LEU H H 1 9.047 . . 1 . . . . A 43 LEU H . 30316 1 451 . 1 1 43 43 LEU HA H 1 5.289 . . 1 . . . . A 43 LEU HA . 30316 1 452 . 1 1 43 43 LEU HB2 H 1 2.117 . . 1 . . . . A 43 LEU HB2 . 30316 1 453 . 1 1 43 43 LEU HB3 H 1 1.601 . . 1 . . . . A 43 LEU HB3 . 30316 1 454 . 1 1 43 43 LEU HG H 1 1.623 . . 1 . . . . A 43 LEU HG . 30316 1 455 . 1 1 43 43 LEU HD11 H 1 0.899 . . 1 . . . . A 43 LEU HD11 . 30316 1 456 . 1 1 43 43 LEU HD12 H 1 0.899 . . 1 . . . . A 43 LEU HD12 . 30316 1 457 . 1 1 43 43 LEU HD13 H 1 0.899 . . 1 . . . . A 43 LEU HD13 . 30316 1 458 . 1 1 43 43 LEU HD21 H 1 0.458 . . 1 . . . . A 43 LEU HD21 . 30316 1 459 . 1 1 43 43 LEU HD22 H 1 0.458 . . 1 . . . . A 43 LEU HD22 . 30316 1 460 . 1 1 43 43 LEU HD23 H 1 0.458 . . 1 . . . . A 43 LEU HD23 . 30316 1 461 . 1 1 43 43 LEU C C 13 180.234 . . 1 . . . . A 43 LEU C . 30316 1 462 . 1 1 43 43 LEU CA C 13 53.79 . . 1 . . . . A 43 LEU CA . 30316 1 463 . 1 1 43 43 LEU CB C 13 43.381 . . 1 . . . . A 43 LEU CB . 30316 1 464 . 1 1 43 43 LEU CG C 13 27.61 . . 1 . . . . A 43 LEU CG . 30316 1 465 . 1 1 43 43 LEU CD1 C 13 23.088 . . 1 . . . . A 43 LEU CD1 . 30316 1 466 . 1 1 43 43 LEU CD2 C 13 23.51 . . 1 . . . . A 43 LEU CD2 . 30316 1 467 . 1 1 43 43 LEU N N 15 124.672 . . 1 . . . . A 43 LEU N . 30316 1 468 . 1 1 44 44 SER H H 1 9.124 . . 1 . . . . A 44 SER H . 30316 1 469 . 1 1 44 44 SER HA H 1 4.655 . . 1 . . . . A 44 SER HA . 30316 1 470 . 1 1 44 44 SER HB2 H 1 3.96 . . 1 . . . . A 44 SER HB2 . 30316 1 471 . 1 1 44 44 SER HB3 H 1 4.104 . . 1 . . . . A 44 SER HB3 . 30316 1 472 . 1 1 44 44 SER C C 13 174.555 . . 1 . . . . A 44 SER C . 30316 1 473 . 1 1 44 44 SER CA C 13 61.22 . . 1 . . . . A 44 SER CA . 30316 1 474 . 1 1 44 44 SER CB C 13 62.987 . . 1 . . . . A 44 SER CB . 30316 1 475 . 1 1 44 44 SER N N 15 116.741 . . 1 . . . . A 44 SER N . 30316 1 476 . 1 1 45 45 ASP H H 1 7.513 . . 1 . . . . A 45 ASP H . 30316 1 477 . 1 1 45 45 ASP HA H 1 4.538 . . 1 . . . . A 45 ASP HA . 30316 1 478 . 1 1 45 45 ASP HB2 H 1 3.091 . . 1 . . . . A 45 ASP HB2 . 30316 1 479 . 1 1 45 45 ASP HB3 H 1 2.533 . . 1 . . . . A 45 ASP HB3 . 30316 1 480 . 1 1 45 45 ASP C C 13 177.047 . . 1 . . . . A 45 ASP C . 30316 1 481 . 1 1 45 45 ASP CA C 13 53.3 . . 1 . . . . A 45 ASP CA . 30316 1 482 . 1 1 45 45 ASP CB C 13 40.274 . . 1 . . . . A 45 ASP CB . 30316 1 483 . 1 1 45 45 ASP N N 15 118.178 . . 1 . . . . A 45 ASP N . 30316 1 484 . 1 1 46 46 GLY H H 1 7.982 . . 1 . . . . A 46 GLY H . 30316 1 485 . 1 1 46 46 GLY HA2 H 1 4.107 . . 1 . . . . A 46 GLY HA2 . 30316 1 486 . 1 1 46 46 GLY HA3 H 1 4.221 . . 1 . . . . A 46 GLY HA3 . 30316 1 487 . 1 1 46 46 GLY C C 13 174.774 . . 1 . . . . A 46 GLY C . 30316 1 488 . 1 1 46 46 GLY CA C 13 45.737 . . 1 . . . . A 46 GLY CA . 30316 1 489 . 1 1 46 46 GLY N N 15 107.932 . . 1 . . . . A 46 GLY N . 30316 1 490 . 1 1 47 47 ARG H H 1 7.867 . . 1 . . . . A 47 ARG H . 30316 1 491 . 1 1 47 47 ARG HA H 1 4.168 . . 1 . . . . A 47 ARG HA . 30316 1 492 . 1 1 47 47 ARG HB2 H 1 1.919 . . 1 . . . . A 47 ARG HB2 . 30316 1 493 . 1 1 47 47 ARG HG2 H 1 1.6 . . 1 . . . . A 47 ARG HG2 . 30316 1 494 . 1 1 47 47 ARG HD2 H 1 2.969 . . 1 . . . . A 47 ARG HD2 . 30316 1 495 . 1 1 47 47 ARG HD3 H 1 3.215 . . 1 . . . . A 47 ARG HD3 . 30316 1 496 . 1 1 47 47 ARG C C 13 174.918 . . 1 . . . . A 47 ARG C . 30316 1 497 . 1 1 47 47 ARG CA C 13 57.64 . . 1 . . . . A 47 ARG CA . 30316 1 498 . 1 1 47 47 ARG CB C 13 32.1 . . 1 . . . . A 47 ARG CB . 30316 1 499 . 1 1 47 47 ARG CG C 13 27.598 . . 1 . . . . A 47 ARG CG . 30316 1 500 . 1 1 47 47 ARG CD C 13 44.02 . . 1 . . . . A 47 ARG CD . 30316 1 501 . 1 1 47 47 ARG N N 15 120.867 . . 1 . . . . A 47 ARG N . 30316 1 502 . 1 1 48 48 GLU H H 1 8.144 . . 1 . . . . A 48 GLU H . 30316 1 503 . 1 1 48 48 GLU HA H 1 5.513 . . 1 . . . . A 48 GLU HA . 30316 1 504 . 1 1 48 48 GLU HB2 H 1 1.845 . . 1 . . . . A 48 GLU HB2 . 30316 1 505 . 1 1 48 48 GLU HB3 H 1 1.929 . . 1 . . . . A 48 GLU HB3 . 30316 1 506 . 1 1 48 48 GLU HG2 H 1 2.196 . . 1 . . . . A 48 GLU HG2 . 30316 1 507 . 1 1 48 48 GLU HG3 H 1 1.981 . . 1 . . . . A 48 GLU HG3 . 30316 1 508 . 1 1 48 48 GLU C C 13 175.786 . . 1 . . . . A 48 GLU C . 30316 1 509 . 1 1 48 48 GLU CA C 13 54.727 . . 1 . . . . A 48 GLU CA . 30316 1 510 . 1 1 48 48 GLU CB C 13 32.43 . . 1 . . . . A 48 GLU CB . 30316 1 511 . 1 1 48 48 GLU CG C 13 37.532 . . 1 . . . . A 48 GLU CG . 30316 1 512 . 1 1 48 48 GLU N N 15 121.163 . . 1 . . . . A 48 GLU N . 30316 1 513 . 1 1 49 49 LEU H H 1 8.865 . . 1 . . . . A 49 LEU H . 30316 1 514 . 1 1 49 49 LEU HA H 1 4.774 . . 1 . . . . A 49 LEU HA . 30316 1 515 . 1 1 49 49 LEU HB2 H 1 1.439 . . 1 . . . . A 49 LEU HB2 . 30316 1 516 . 1 1 49 49 LEU HB3 H 1 1.509 . . 1 . . . . A 49 LEU HB3 . 30316 1 517 . 1 1 49 49 LEU HG H 1 1.273 . . 1 . . . . A 49 LEU HG . 30316 1 518 . 1 1 49 49 LEU HD11 H 1 0.456 . . 1 . . . . A 49 LEU HD11 . 30316 1 519 . 1 1 49 49 LEU HD12 H 1 0.456 . . 1 . . . . A 49 LEU HD12 . 30316 1 520 . 1 1 49 49 LEU HD13 H 1 0.456 . . 1 . . . . A 49 LEU HD13 . 30316 1 521 . 1 1 49 49 LEU HD21 H 1 0.549 . . 1 . . . . A 49 LEU HD21 . 30316 1 522 . 1 1 49 49 LEU HD22 H 1 0.549 . . 1 . . . . A 49 LEU HD22 . 30316 1 523 . 1 1 49 49 LEU HD23 H 1 0.549 . . 1 . . . . A 49 LEU HD23 . 30316 1 524 . 1 1 49 49 LEU C C 13 174.909 . . 1 . . . . A 49 LEU C . 30316 1 525 . 1 1 49 49 LEU CA C 13 53.81 . . 1 . . . . A 49 LEU CA . 30316 1 526 . 1 1 49 49 LEU CB C 13 45.79 . . 1 . . . . A 49 LEU CB . 30316 1 527 . 1 1 49 49 LEU CG C 13 26.429 . . 1 . . . . A 49 LEU CG . 30316 1 528 . 1 1 49 49 LEU CD1 C 13 25.282 . . 1 . . . . A 49 LEU CD1 . 30316 1 529 . 1 1 49 49 LEU CD2 C 13 24.354 . . 1 . . . . A 49 LEU CD2 . 30316 1 530 . 1 1 49 49 LEU N N 15 123.051 . . 1 . . . . A 49 LEU N . 30316 1 531 . 1 1 50 50 CYS H H 1 8.604 . . 1 . . . . A 50 CYS H . 30316 1 532 . 1 1 50 50 CYS HA H 1 5.973 . . 1 . . . . A 50 CYS HA . 30316 1 533 . 1 1 50 50 CYS HB2 H 1 4.057 . . 1 . . . . A 50 CYS HB2 . 30316 1 534 . 1 1 50 50 CYS HB3 H 1 3.394 . . 1 . . . . A 50 CYS HB3 . 30316 1 535 . 1 1 50 50 CYS C C 13 174.46 . . 1 . . . . A 50 CYS C . 30316 1 536 . 1 1 50 50 CYS CA C 13 55.82 . . 1 . . . . A 50 CYS CA . 30316 1 537 . 1 1 50 50 CYS CB C 13 47.18 . . 1 . . . . A 50 CYS CB . 30316 1 538 . 1 1 50 50 CYS N N 15 118.165 . . 1 . . . . A 50 CYS N . 30316 1 539 . 1 1 51 51 LEU H H 1 8.839 . . 1 . . . . A 51 LEU H . 30316 1 540 . 1 1 51 51 LEU HA H 1 5.066 . . 1 . . . . A 51 LEU HA . 30316 1 541 . 1 1 51 51 LEU HB2 H 1 1.326 . . 1 . . . . A 51 LEU HB2 . 30316 1 542 . 1 1 51 51 LEU HG H 1 1.667 . . 1 . . . . A 51 LEU HG . 30316 1 543 . 1 1 51 51 LEU HD11 H 1 0.732 . . 1 . . . . A 51 LEU HD11 . 30316 1 544 . 1 1 51 51 LEU HD12 H 1 0.732 . . 1 . . . . A 51 LEU HD12 . 30316 1 545 . 1 1 51 51 LEU HD13 H 1 0.732 . . 1 . . . . A 51 LEU HD13 . 30316 1 546 . 1 1 51 51 LEU HD21 H 1 1.11 . . 1 . . . . A 51 LEU HD21 . 30316 1 547 . 1 1 51 51 LEU HD22 H 1 1.11 . . 1 . . . . A 51 LEU HD22 . 30316 1 548 . 1 1 51 51 LEU HD23 H 1 1.11 . . 1 . . . . A 51 LEU HD23 . 30316 1 549 . 1 1 51 51 LEU C C 13 176.151 . . 1 . . . . A 51 LEU C . 30316 1 550 . 1 1 51 51 LEU CA C 13 52.805 . . 1 . . . . A 51 LEU CA . 30316 1 551 . 1 1 51 51 LEU CB C 13 44.18 . . 1 . . . . A 51 LEU CB . 30316 1 552 . 1 1 51 51 LEU CG C 13 27.484 . . 1 . . . . A 51 LEU CG . 30316 1 553 . 1 1 51 51 LEU CD1 C 13 25.643 . . 1 . . . . A 51 LEU CD1 . 30316 1 554 . 1 1 51 51 LEU CD2 C 13 23.128 . . 1 . . . . A 51 LEU CD2 . 30316 1 555 . 1 1 51 51 LEU N N 15 121.457 . . 1 . . . . A 51 LEU N . 30316 1 556 . 1 1 52 52 ASP H H 1 8.254 . . 1 . . . . A 52 ASP H . 30316 1 557 . 1 1 52 52 ASP HA H 1 4.538 . . 1 . . . . A 52 ASP HA . 30316 1 558 . 1 1 52 52 ASP HB2 H 1 2.855 . . 1 . . . . A 52 ASP HB2 . 30316 1 559 . 1 1 52 52 ASP HB3 H 1 2.363 . . 1 . . . . A 52 ASP HB3 . 30316 1 560 . 1 1 52 52 ASP CA C 13 51.59 . . 1 . . . . A 52 ASP CA . 30316 1 561 . 1 1 52 52 ASP CB C 13 42.278 . . 1 . . . . A 52 ASP CB . 30316 1 562 . 1 1 52 52 ASP N N 15 122.389 . . 1 . . . . A 52 ASP N . 30316 1 563 . 1 1 53 53 PRO HA H 1 4.04 . . 1 . . . . A 53 PRO HA . 30316 1 564 . 1 1 53 53 PRO HB2 H 1 2.097 . . 1 . . . . A 53 PRO HB2 . 30316 1 565 . 1 1 53 53 PRO HG2 H 1 1.959 . . 1 . . . . A 53 PRO HG2 . 30316 1 566 . 1 1 53 53 PRO HG3 H 1 1.925 . . 1 . . . . A 53 PRO HG3 . 30316 1 567 . 1 1 53 53 PRO HD2 H 1 3.95 . . 1 . . . . A 53 PRO HD2 . 30316 1 568 . 1 1 53 53 PRO HD3 H 1 4.305 . . 1 . . . . A 53 PRO HD3 . 30316 1 569 . 1 1 53 53 PRO C C 13 177.313 . . 1 . . . . A 53 PRO C . 30316 1 570 . 1 1 53 53 PRO CA C 13 63.79 . . 1 . . . . A 53 PRO CA . 30316 1 571 . 1 1 53 53 PRO CB C 13 32.32 . . 1 . . . . A 53 PRO CB . 30316 1 572 . 1 1 53 53 PRO CG C 13 26.95 . . 1 . . . . A 53 PRO CG . 30316 1 573 . 1 1 53 53 PRO CD C 13 51.214 . . 1 . . . . A 53 PRO CD . 30316 1 574 . 1 1 54 54 LYS H H 1 8.183 . . 1 . . . . A 54 LYS H . 30316 1 575 . 1 1 54 54 LYS HA H 1 4.069 . . 1 . . . . A 54 LYS HA . 30316 1 576 . 1 1 54 54 LYS HB2 H 1 1.921 . . 1 . . . . A 54 LYS HB2 . 30316 1 577 . 1 1 54 54 LYS HB3 H 1 1.829 . . 1 . . . . A 54 LYS HB3 . 30316 1 578 . 1 1 54 54 LYS C C 13 177.775 . . 1 . . . . A 54 LYS C . 30316 1 579 . 1 1 54 54 LYS CA C 13 56.93 . . 1 . . . . A 54 LYS CA . 30316 1 580 . 1 1 54 54 LYS CB C 13 32.246 . . 1 . . . . A 54 LYS CB . 30316 1 581 . 1 1 54 54 LYS CG C 13 25.07 . . 1 . . . . A 54 LYS CG . 30316 1 582 . 1 1 54 54 LYS CD C 13 28.6 . . 1 . . . . A 54 LYS CD . 30316 1 583 . 1 1 54 54 LYS N N 15 115.716 . . 1 . . . . A 54 LYS N . 30316 1 584 . 1 1 55 55 GLU H H 1 7.252 . . 1 . . . . A 55 GLU H . 30316 1 585 . 1 1 55 55 GLU HA H 1 4.252 . . 1 . . . . A 55 GLU HA . 30316 1 586 . 1 1 55 55 GLU HB2 H 1 2.052 . . 1 . . . . A 55 GLU HB2 . 30316 1 587 . 1 1 55 55 GLU HB3 H 1 1.712 . . 1 . . . . A 55 GLU HB3 . 30316 1 588 . 1 1 55 55 GLU HG2 H 1 2.224 . . 1 . . . . A 55 GLU HG2 . 30316 1 589 . 1 1 55 55 GLU HG3 H 1 2.532 . . 1 . . . . A 55 GLU HG3 . 30316 1 590 . 1 1 55 55 GLU CA C 13 55.627 . . 1 . . . . A 55 GLU CA . 30316 1 591 . 1 1 55 55 GLU CB C 13 30.712 . . 1 . . . . A 55 GLU CB . 30316 1 592 . 1 1 55 55 GLU CG C 13 36.49 . . 1 . . . . A 55 GLU CG . 30316 1 593 . 1 1 55 55 GLU N N 15 118.506 . . 1 . . . . A 55 GLU N . 30316 1 594 . 1 1 56 56 ASN HA H 1 4.272 . . 1 . . . . A 56 ASN HA . 30316 1 595 . 1 1 56 56 ASN HB2 H 1 2.91 . . 1 . . . . A 56 ASN HB2 . 30316 1 596 . 1 1 56 56 ASN HB3 H 1 2.994 . . 1 . . . . A 56 ASN HB3 . 30316 1 597 . 1 1 56 56 ASN CB C 13 38.614 . . 1 . . . . A 56 ASN CB . 30316 1 598 . 1 1 57 57 TRP H H 1 9.018 . . 1 . . . . A 57 TRP H . 30316 1 599 . 1 1 57 57 TRP HA H 1 4.296 . . 1 . . . . A 57 TRP HA . 30316 1 600 . 1 1 57 57 TRP HB2 H 1 3.545 . . 1 . . . . A 57 TRP HB2 . 30316 1 601 . 1 1 57 57 TRP HB3 H 1 3.247 . . 1 . . . . A 57 TRP HB3 . 30316 1 602 . 1 1 57 57 TRP HD1 H 1 8.843 . . 1 . . . . A 57 TRP HD1 . 30316 1 603 . 1 1 57 57 TRP HE1 H 1 9.969 . . 1 . . . . A 57 TRP HE1 . 30316 1 604 . 1 1 57 57 TRP HE3 H 1 7.713 . . 1 . . . . A 57 TRP HE3 . 30316 1 605 . 1 1 57 57 TRP HZ3 H 1 7.302 . . 1 . . . . A 57 TRP HZ3 . 30316 1 606 . 1 1 57 57 TRP C C 13 177.924 . . 1 . . . . A 57 TRP C . 30316 1 607 . 1 1 57 57 TRP CA C 13 59.86 . . 1 . . . . A 57 TRP CA . 30316 1 608 . 1 1 57 57 TRP CB C 13 26.541 . . 1 . . . . A 57 TRP CB . 30316 1 609 . 1 1 57 57 TRP N N 15 117.463 . . 1 . . . . A 57 TRP N . 30316 1 610 . 1 1 57 57 TRP NE1 N 15 129.159 . . 1 . . . . A 57 TRP NE1 . 30316 1 611 . 1 1 58 58 VAL H H 1 5.861 . . 1 . . . . A 58 VAL H . 30316 1 612 . 1 1 58 58 VAL HA H 1 2.657 . . 1 . . . . A 58 VAL HA . 30316 1 613 . 1 1 58 58 VAL HB H 1 1.881 . . 1 . . . . A 58 VAL HB . 30316 1 614 . 1 1 58 58 VAL HG11 H 1 0.445 . . 1 . . . . A 58 VAL HG11 . 30316 1 615 . 1 1 58 58 VAL HG12 H 1 0.445 . . 1 . . . . A 58 VAL HG12 . 30316 1 616 . 1 1 58 58 VAL HG13 H 1 0.445 . . 1 . . . . A 58 VAL HG13 . 30316 1 617 . 1 1 58 58 VAL HG21 H 1 0.337 . . 1 . . . . A 58 VAL HG21 . 30316 1 618 . 1 1 58 58 VAL HG22 H 1 0.337 . . 1 . . . . A 58 VAL HG22 . 30316 1 619 . 1 1 58 58 VAL HG23 H 1 0.337 . . 1 . . . . A 58 VAL HG23 . 30316 1 620 . 1 1 58 58 VAL C C 13 177.358 . . 1 . . . . A 58 VAL C . 30316 1 621 . 1 1 58 58 VAL CA C 13 65.52 . . 1 . . . . A 58 VAL CA . 30316 1 622 . 1 1 58 58 VAL CB C 13 31.17 . . 1 . . . . A 58 VAL CB . 30316 1 623 . 1 1 58 58 VAL CG1 C 13 21.554 . . 1 . . . . A 58 VAL CG1 . 30316 1 624 . 1 1 58 58 VAL CG2 C 13 22.129 . . 1 . . . . A 58 VAL CG2 . 30316 1 625 . 1 1 58 58 VAL N N 15 123.318 . . 1 . . . . A 58 VAL N . 30316 1 626 . 1 1 59 59 GLN H H 1 7.424 . . 1 . . . . A 59 GLN H . 30316 1 627 . 1 1 59 59 GLN HA H 1 3.769 . . 1 . . . . A 59 GLN HA . 30316 1 628 . 1 1 59 59 GLN HB2 H 1 2.053 . . 1 . . . . A 59 GLN HB2 . 30316 1 629 . 1 1 59 59 GLN HB3 H 1 2.134 . . 1 . . . . A 59 GLN HB3 . 30316 1 630 . 1 1 59 59 GLN HG2 H 1 2.424 . . 1 . . . . A 59 GLN HG2 . 30316 1 631 . 1 1 59 59 GLN HG3 H 1 2.376 . . 1 . . . . A 59 GLN HG3 . 30316 1 632 . 1 1 59 59 GLN HE21 H 1 7.437 . . 1 . . . . A 59 GLN HE21 . 30316 1 633 . 1 1 59 59 GLN HE22 H 1 6.624 . . 1 . . . . A 59 GLN HE22 . 30316 1 634 . 1 1 59 59 GLN C C 13 178.838 . . 1 . . . . A 59 GLN C . 30316 1 635 . 1 1 59 59 GLN CA C 13 59.104 . . 1 . . . . A 59 GLN CA . 30316 1 636 . 1 1 59 59 GLN CB C 13 27.326 . . 1 . . . . A 59 GLN CB . 30316 1 637 . 1 1 59 59 GLN CG C 13 33.43 . . 1 . . . . A 59 GLN CG . 30316 1 638 . 1 1 59 59 GLN N N 15 118.989 . . 1 . . . . A 59 GLN N . 30316 1 639 . 1 1 59 59 GLN NE2 N 15 110.432 . . 1 . . . . A 59 GLN NE2 . 30316 1 640 . 1 1 60 60 ARG H H 1 7.738 . . 1 . . . . A 60 ARG H . 30316 1 641 . 1 1 60 60 ARG HA H 1 4.221 . . 1 . . . . A 60 ARG HA . 30316 1 642 . 1 1 60 60 ARG HB2 H 1 1.954 . . 1 . . . . A 60 ARG HB2 . 30316 1 643 . 1 1 60 60 ARG HB3 H 1 2.035 . . 1 . . . . A 60 ARG HB3 . 30316 1 644 . 1 1 60 60 ARG HG2 H 1 1.767 . . 1 . . . . A 60 ARG HG2 . 30316 1 645 . 1 1 60 60 ARG HG3 H 1 1.863 . . 1 . . . . A 60 ARG HG3 . 30316 1 646 . 1 1 60 60 ARG HD2 H 1 3.22 . . 1 . . . . A 60 ARG HD2 . 30316 1 647 . 1 1 60 60 ARG C C 13 179.123 . . 1 . . . . A 60 ARG C . 30316 1 648 . 1 1 60 60 ARG CA C 13 58.4 . . 1 . . . . A 60 ARG CA . 30316 1 649 . 1 1 60 60 ARG CB C 13 30.96 . . 1 . . . . A 60 ARG CB . 30316 1 650 . 1 1 60 60 ARG CG C 13 26.751 . . 1 . . . . A 60 ARG CG . 30316 1 651 . 1 1 60 60 ARG CD C 13 43.55 . . 1 . . . . A 60 ARG CD . 30316 1 652 . 1 1 60 60 ARG N N 15 115.483 . . 1 . . . . A 60 ARG N . 30316 1 653 . 1 1 61 61 VAL H H 1 7.55 . . 1 . . . . A 61 VAL H . 30316 1 654 . 1 1 61 61 VAL HA H 1 3.904 . . 1 . . . . A 61 VAL HA . 30316 1 655 . 1 1 61 61 VAL HB H 1 2.275 . . 1 . . . . A 61 VAL HB . 30316 1 656 . 1 1 61 61 VAL HG11 H 1 1.189 . . 1 . . . . A 61 VAL HG11 . 30316 1 657 . 1 1 61 61 VAL HG12 H 1 1.189 . . 1 . . . . A 61 VAL HG12 . 30316 1 658 . 1 1 61 61 VAL HG13 H 1 1.189 . . 1 . . . . A 61 VAL HG13 . 30316 1 659 . 1 1 61 61 VAL C C 13 177.923 . . 1 . . . . A 61 VAL C . 30316 1 660 . 1 1 61 61 VAL CA C 13 66.21 . . 1 . . . . A 61 VAL CA . 30316 1 661 . 1 1 61 61 VAL CB C 13 31.698 . . 1 . . . . A 61 VAL CB . 30316 1 662 . 1 1 61 61 VAL CG1 C 13 23.309 . . 1 . . . . A 61 VAL CG1 . 30316 1 663 . 1 1 61 61 VAL CG2 C 13 21.63 . . 1 . . . . A 61 VAL CG2 . 30316 1 664 . 1 1 61 61 VAL N N 15 120.112 . . 1 . . . . A 61 VAL N . 30316 1 665 . 1 1 62 62 VAL H H 1 8.22 . . 1 . . . . A 62 VAL H . 30316 1 666 . 1 1 62 62 VAL HA H 1 3.579 . . 1 . . . . A 62 VAL HA . 30316 1 667 . 1 1 62 62 VAL HB H 1 2.156 . . 1 . . . . A 62 VAL HB . 30316 1 668 . 1 1 62 62 VAL HG11 H 1 0.93 . . 1 . . . . A 62 VAL HG11 . 30316 1 669 . 1 1 62 62 VAL HG12 H 1 0.93 . . 1 . . . . A 62 VAL HG12 . 30316 1 670 . 1 1 62 62 VAL HG13 H 1 0.93 . . 1 . . . . A 62 VAL HG13 . 30316 1 671 . 1 1 62 62 VAL HG21 H 1 0.9 . . 1 . . . . A 62 VAL HG21 . 30316 1 672 . 1 1 62 62 VAL HG22 H 1 0.9 . . 1 . . . . A 62 VAL HG22 . 30316 1 673 . 1 1 62 62 VAL HG23 H 1 0.9 . . 1 . . . . A 62 VAL HG23 . 30316 1 674 . 1 1 62 62 VAL C C 13 177.947 . . 1 . . . . A 62 VAL C . 30316 1 675 . 1 1 62 62 VAL CA C 13 66.59 . . 1 . . . . A 62 VAL CA . 30316 1 676 . 1 1 62 62 VAL CB C 13 31.54 . . 1 . . . . A 62 VAL CB . 30316 1 677 . 1 1 62 62 VAL CG1 C 13 23.093 . . 1 . . . . A 62 VAL CG1 . 30316 1 678 . 1 1 62 62 VAL CG2 C 13 21.785 . . 1 . . . . A 62 VAL CG2 . 30316 1 679 . 1 1 62 62 VAL N N 15 119.317 . . 1 . . . . A 62 VAL N . 30316 1 680 . 1 1 63 63 GLU H H 1 7.449 . . 1 . . . . A 63 GLU H . 30316 1 681 . 1 1 63 63 GLU HA H 1 4.066 . . 1 . . . . A 63 GLU HA . 30316 1 682 . 1 1 63 63 GLU HB2 H 1 2.201 . . 1 . . . . A 63 GLU HB2 . 30316 1 683 . 1 1 63 63 GLU HB3 H 1 2.097 . . 1 . . . . A 63 GLU HB3 . 30316 1 684 . 1 1 63 63 GLU HG2 H 1 2.407 . . 1 . . . . A 63 GLU HG2 . 30316 1 685 . 1 1 63 63 GLU HG3 H 1 2.448 . . 1 . . . . A 63 GLU HG3 . 30316 1 686 . 1 1 63 63 GLU C C 13 177.926 . . 1 . . . . A 63 GLU C . 30316 1 687 . 1 1 63 63 GLU CA C 13 58.66 . . 1 . . . . A 63 GLU CA . 30316 1 688 . 1 1 63 63 GLU CB C 13 29.853 . . 1 . . . . A 63 GLU CB . 30316 1 689 . 1 1 63 63 GLU CG C 13 36.32 . . 1 . . . . A 63 GLU CG . 30316 1 690 . 1 1 63 63 GLU N N 15 115.86 . . 1 . . . . A 63 GLU N . 30316 1 691 . 1 1 64 64 LYS H H 1 7.487 . . 1 . . . . A 64 LYS H . 30316 1 692 . 1 1 64 64 LYS HA H 1 4.243 . . 1 . . . . A 64 LYS HA . 30316 1 693 . 1 1 64 64 LYS HB2 H 1 1.889 . . 1 . . . . A 64 LYS HB2 . 30316 1 694 . 1 1 64 64 LYS HB3 H 1 1.795 . . 1 . . . . A 64 LYS HB3 . 30316 1 695 . 1 1 64 64 LYS HG2 H 1 1.482 . . 1 . . . . A 64 LYS HG2 . 30316 1 696 . 1 1 64 64 LYS HD2 H 1 1.617 . . 1 . . . . A 64 LYS HD2 . 30316 1 697 . 1 1 64 64 LYS HE2 H 1 3.223 . . 1 . . . . A 64 LYS HE2 . 30316 1 698 . 1 1 64 64 LYS C C 13 176.931 . . 1 . . . . A 64 LYS C . 30316 1 699 . 1 1 64 64 LYS CA C 13 56.774 . . 1 . . . . A 64 LYS CA . 30316 1 700 . 1 1 64 64 LYS CB C 13 32.3 . . 1 . . . . A 64 LYS CB . 30316 1 701 . 1 1 64 64 LYS CG C 13 27.77 . . 1 . . . . A 64 LYS CG . 30316 1 702 . 1 1 64 64 LYS N N 15 116.242 . . 1 . . . . A 64 LYS N . 30316 1 703 . 1 1 65 65 PHE H H 1 7.984 . . 1 . . . . A 65 PHE H . 30316 1 704 . 1 1 65 65 PHE HA H 1 4.492 . . 1 . . . . A 65 PHE HA . 30316 1 705 . 1 1 65 65 PHE HB2 H 1 3.357 . . 1 . . . . A 65 PHE HB2 . 30316 1 706 . 1 1 65 65 PHE HB3 H 1 2.887 . . 1 . . . . A 65 PHE HB3 . 30316 1 707 . 1 1 65 65 PHE HD1 H 1 7.475 . . 1 . . . . A 65 PHE HD1 . 30316 1 708 . 1 1 65 65 PHE HE1 H 1 7.275 . . 1 . . . . A 65 PHE HE1 . 30316 1 709 . 1 1 65 65 PHE CA C 13 59.25 . . 1 . . . . A 65 PHE CA . 30316 1 710 . 1 1 65 65 PHE CB C 13 41.181 . . 1 . . . . A 65 PHE CB . 30316 1 711 . 1 1 65 65 PHE N N 15 118.569 . . 1 . . . . A 65 PHE N . 30316 1 stop_ save_