data_30293 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30293 _Entry.Title ; NMR structure of Ydj1 J-domain, a cytosolic Hsp40 from Saccharomyces cerevisiae ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-05-12 _Entry.Accession_date 2017-05-12 _Entry.Last_release_date 2017-05-17 _Entry.Original_release_date 2017-05-17 _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. Ciesielski S. J. . . 30293 2 M. Tonelli M. . . . 30293 3 W. Lee W. . . . 30293 4 G. Cornilescu G. . . . 30293 5 J. Markley J. L. . . 30293 6 B. Schilke B. A. . . 30293 7 T. Ziegelhoffer T. . . . 30293 8 E. Craig E. A. . . 30293 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID DnaJ . 30293 J-domain . 30293 J-protein . 30293 chaperone . 30293 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30293 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 340 30293 '15N chemical shifts' 70 30293 '1H chemical shifts' 525 30293 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 . . 2017-11-20 2017-05-12 update BMRB 'update entry citation' 30293 1 . . 2017-10-23 2017-05-12 original author 'original release' 30293 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5VSO 'BMRB Entry Tracking System' 30293 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30293 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1371/journal.pgen.1007084 _Citation.PubMed_ID 29084221 _Citation.Full_citation . _Citation.Title ; Broadening the functionality of a J-protein/Hsp70 molecular chaperone system. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'PLoS Genet.' _Citation.Journal_name_full 'PLoS genetics' _Citation.Journal_volume 13 _Citation.Journal_issue 10 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1553-7404 _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 e1007084 _Citation.Page_last e1007084 _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 Brenda Schilke B. A. . . 30293 1 2 Szymon Ciesielski S. J. . . 30293 1 3 Thomas Ziegelhoffer T. . . . 30293 1 4 Erina Kamiya E. . . . 30293 1 5 Marco Tonelli M. . . . 30293 1 6 Woonghee Lee W. . . . 30293 1 7 Gabriel Cornilescu G. . . . 30293 1 8 Justin Hines J. K. . . 30293 1 9 John Markley J. L. . . 30293 1 10 Elizabeth Craig E. A. . . 30293 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30293 _Assembly.ID 1 _Assembly.Name 'Yeast dnaJ protein 1' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 30293 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30293 _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 ; GEFGSMVKETKFYDILGVPV TATDVEIKKAYRKCALKYHP DKNPSEEAAEKFKEASAAYE ILSDPEKRDIYDQFG ; _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 75 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'residues 1-70' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8521.567 _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 'Mitochondrial protein import protein MAS5' na 30293 1 Ydj1 na 30293 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 . GLY . 30293 1 2 . GLU . 30293 1 3 . PHE . 30293 1 4 . GLY . 30293 1 5 . SER . 30293 1 6 . MET . 30293 1 7 . VAL . 30293 1 8 . LYS . 30293 1 9 . GLU . 30293 1 10 . THR . 30293 1 11 . LYS . 30293 1 12 . PHE . 30293 1 13 . TYR . 30293 1 14 . ASP . 30293 1 15 . ILE . 30293 1 16 . LEU . 30293 1 17 . GLY . 30293 1 18 . VAL . 30293 1 19 . PRO . 30293 1 20 . VAL . 30293 1 21 . THR . 30293 1 22 . ALA . 30293 1 23 . THR . 30293 1 24 . ASP . 30293 1 25 . VAL . 30293 1 26 . GLU . 30293 1 27 . ILE . 30293 1 28 . LYS . 30293 1 29 . LYS . 30293 1 30 . ALA . 30293 1 31 . TYR . 30293 1 32 . ARG . 30293 1 33 . LYS . 30293 1 34 . CYS . 30293 1 35 . ALA . 30293 1 36 . LEU . 30293 1 37 . LYS . 30293 1 38 . TYR . 30293 1 39 . HIS . 30293 1 40 . PRO . 30293 1 41 . ASP . 30293 1 42 . LYS . 30293 1 43 . ASN . 30293 1 44 . PRO . 30293 1 45 . SER . 30293 1 46 . GLU . 30293 1 47 . GLU . 30293 1 48 . ALA . 30293 1 49 . ALA . 30293 1 50 . GLU . 30293 1 51 . LYS . 30293 1 52 . PHE . 30293 1 53 . LYS . 30293 1 54 . GLU . 30293 1 55 . ALA . 30293 1 56 . SER . 30293 1 57 . ALA . 30293 1 58 . ALA . 30293 1 59 . TYR . 30293 1 60 . GLU . 30293 1 61 . ILE . 30293 1 62 . LEU . 30293 1 63 . SER . 30293 1 64 . ASP . 30293 1 65 . PRO . 30293 1 66 . GLU . 30293 1 67 . LYS . 30293 1 68 . ARG . 30293 1 69 . ASP . 30293 1 70 . ILE . 30293 1 71 . TYR . 30293 1 72 . ASP . 30293 1 73 . GLN . 30293 1 74 . PHE . 30293 1 75 . GLY . 30293 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 30293 1 . GLU 2 2 30293 1 . PHE 3 3 30293 1 . GLY 4 4 30293 1 . SER 5 5 30293 1 . MET 6 6 30293 1 . VAL 7 7 30293 1 . LYS 8 8 30293 1 . GLU 9 9 30293 1 . THR 10 10 30293 1 . LYS 11 11 30293 1 . PHE 12 12 30293 1 . TYR 13 13 30293 1 . ASP 14 14 30293 1 . ILE 15 15 30293 1 . LEU 16 16 30293 1 . GLY 17 17 30293 1 . VAL 18 18 30293 1 . PRO 19 19 30293 1 . VAL 20 20 30293 1 . THR 21 21 30293 1 . ALA 22 22 30293 1 . THR 23 23 30293 1 . ASP 24 24 30293 1 . VAL 25 25 30293 1 . GLU 26 26 30293 1 . ILE 27 27 30293 1 . LYS 28 28 30293 1 . LYS 29 29 30293 1 . ALA 30 30 30293 1 . TYR 31 31 30293 1 . ARG 32 32 30293 1 . LYS 33 33 30293 1 . CYS 34 34 30293 1 . ALA 35 35 30293 1 . LEU 36 36 30293 1 . LYS 37 37 30293 1 . TYR 38 38 30293 1 . HIS 39 39 30293 1 . PRO 40 40 30293 1 . ASP 41 41 30293 1 . LYS 42 42 30293 1 . ASN 43 43 30293 1 . PRO 44 44 30293 1 . SER 45 45 30293 1 . GLU 46 46 30293 1 . GLU 47 47 30293 1 . ALA 48 48 30293 1 . ALA 49 49 30293 1 . GLU 50 50 30293 1 . LYS 51 51 30293 1 . PHE 52 52 30293 1 . LYS 53 53 30293 1 . GLU 54 54 30293 1 . ALA 55 55 30293 1 . SER 56 56 30293 1 . ALA 57 57 30293 1 . ALA 58 58 30293 1 . TYR 59 59 30293 1 . GLU 60 60 30293 1 . ILE 61 61 30293 1 . LEU 62 62 30293 1 . SER 63 63 30293 1 . ASP 64 64 30293 1 . PRO 65 65 30293 1 . GLU 66 66 30293 1 . LYS 67 67 30293 1 . ARG 68 68 30293 1 . ASP 69 69 30293 1 . ILE 70 70 30293 1 . TYR 71 71 30293 1 . ASP 72 72 30293 1 . GLN 73 73 30293 1 . PHE 74 74 30293 1 . GLY 75 75 30293 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 30293 _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 . 559292 organism . 'Saccharomyces cerevisiae (strain ATCC 204508 / S288c)' "Baker's yeast" . . Eukaryota Fungi Saccharomyces cerevisiae 'ATCC 204508 / S288c' . . . . . . . . . . 'YDJ1, MAS5, YNL064C, N2418, YNL2418C' . 30293 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 30293 _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 . . . . . . . . . . 30293 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 30293 _Sample.ID 4 _Sample.Type 'gel solid' _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 'Ydj1 protein (1-70 residues)' [U-15N] . . 1 $entity_1 . . 5.5 . . mg/mL 0.1 . . . 30293 4 2 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 30293 4 stop_ save_ save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30293 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 'Ydj1 protein (1-70 residues)' '[U-15N; U-13C]' . . 1 $entity_1 . . 3.5 . . mg/mL 0.1 . . . 30293 1 2 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 30293 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30293 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 'Ydj1 protein (1-70 residues)' '[U-15N; U-13C]' . . 1 $entity_1 . . 4.0 . . mg/mL 0.1 . . . 30293 2 2 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 30293 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 30293 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 'Ydj1 protein (1-70 residues)' [U-15N] . . 1 $entity_1 . . 5.5 . . mg/mL 0.1 . . . 30293 3 2 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 30293 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 30293 _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' 150 . mM 30293 1 pH 7.5 . pH 30293 1 pressure 1 . atm 30293 1 temperature 279 . K 30293 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 30293 _Sample_condition_list.ID 2 _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' 150 . mM 30293 2 pH 7.5 . pH 30293 2 pressure 1 . atm 30293 2 temperature 283 . K 30293 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30293 _Software.ID 1 _Software.Type . _Software.Name APES _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Shin, Lee and Lee' . . 30293 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 30293 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30293 _Software.ID 2 _Software.Type . _Software.Name AUDANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Lee, Petit, Cornilescu, Stark and Markley' . . 30293 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 30293 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30293 _Software.ID 3 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version 1.41 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Lee, Tonelli and Markley' . . 30293 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30293 3 'peak picking' 30293 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30293 _Software.ID 4 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30293 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 30293 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30293 _Software.ID 5 _Software.Type . _Software.Name PINE _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bahrami, Markley, Assadi, and Eghbalnia' . . 30293 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30293 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 30293 _Software.ID 6 _Software.Type . _Software.Name PINE-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Lee, Westler, Bahrami, Eghbalnia and Markley' . . 30293 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30293 6 stop_ save_ save_software_7 _Software.Sf_category software _Software.Sf_framecode software_7 _Software.Entry_ID 30293 _Software.ID 7 _Software.Type . _Software.Name PONDEROSA-C/S _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Lee, Stark and Markley' . . 30293 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30293 7 'structure calculation' 30293 7 stop_ save_ save_software_8 _Software.Sf_category software _Software.Sf_framecode software_8 _Software.Entry_ID 30293 _Software.ID 8 _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' . . 30293 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 30293 8 stop_ save_ save_software_9 _Software.Sf_category software _Software.Sf_framecode software_9 _Software.Entry_ID 30293 _Software.ID 9 _Software.Type . _Software.Name VNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 30293 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 30293 9 stop_ save_ save_software_10 _Software.Sf_category software _Software.Sf_framecode software_10 _Software.Entry_ID 30293 _Software.ID 10 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 30293 10 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30293 10 'structure calculation' 30293 10 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 30293 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _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 30293 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VXRS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 30293 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VXRS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_4 _NMR_spectrometer.Entry_ID 30293 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 30293 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AvanceIII . 900 . . . 30293 1 2 NMR_spectrometer_2 Varian VXRS . 800 . . . 30293 1 3 NMR_spectrometer_3 Varian VXRS . 600 . . . 30293 1 4 NMR_spectrometer_4 Bruker AvanceIII . 600 . . . 30293 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 30293 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 30293 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 30293 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 30293 1 4 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 30293 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 30293 1 6 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30293 1 7 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30293 1 8 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 30293 1 9 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 30293 1 10 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 30293 1 11 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 30293 1 12 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 30293 1 13 '2D 1H-15N HSQC' no . . . . . . . . . . 4 $sample_4 anisotropic . . 2 $sample_conditions_2 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . 30293 1 14 '2D 1H-15N HSQC' no . . . . . . . . . . 4 $sample_4 isotropic . . 2 $sample_conditions_2 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . 30293 1 15 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30293 1 16 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30293 1 17 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 30293 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 30293 _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 na indirect 0.251449530 . . . . . 30293 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . . . 30293 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect 0.101329118 . . . . . 30293 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 30293 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 30293 1 2 '2D 1H-13C HSQC aliphatic' . . . 30293 1 3 '2D 1H-13C HSQC aromatic' . . . 30293 1 4 '3D HCCH-TOCSY' . . . 30293 1 5 '3D HBHA(CO)NH' . . . 30293 1 6 '3D 1H-13C NOESY aromatic' . . . 30293 1 7 '3D 1H-13C NOESY aliphatic' . . . 30293 1 8 '3D H(CCO)NH' . . . 30293 1 9 '3D C(CO)NH' . . . 30293 1 10 '2D 1H-15N HSQC' . . . 30293 1 11 '2D 1H-15N HSQC' . . . 30293 1 12 '2D 1H-15N HSQC' . . . 30293 1 13 '2D 1H-15N HSQC' . . . 30293 1 14 '2D 1H-15N HSQC' . . . 30293 1 15 '3D CBCA(CO)NH' . . . 30293 1 16 '3D HNCACB' . . . 30293 1 17 '3D HNCO' . . . 30293 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 GLY HA2 H 1 3.762 0.00 . . . . . . A 1 GLY HA2 . 30293 1 2 . 1 1 1 1 GLY HA3 H 1 3.762 0.00 . . . . . . A 1 GLY HA3 . 30293 1 3 . 1 1 1 1 GLY CA C 13 43.475 0.00 . . . . . . A 1 GLY CA . 30293 1 4 . 1 1 2 2 GLU HA H 1 4.187 0.00 . . . . . . A 2 GLU HA . 30293 1 5 . 1 1 2 2 GLU HB2 H 1 1.831 0.01 . . . . . . A 2 GLU HB2 . 30293 1 6 . 1 1 2 2 GLU HB3 H 1 1.753 0.01 . . . . . . A 2 GLU HB3 . 30293 1 7 . 1 1 2 2 GLU HG2 H 1 2.058 0.00 . . . . . . A 2 GLU HG2 . 30293 1 8 . 1 1 2 2 GLU HG3 H 1 1.966 0.00 . . . . . . A 2 GLU HG3 . 30293 1 9 . 1 1 2 2 GLU C C 13 176.446 0.00 . . . . . . A 2 GLU C . 30293 1 10 . 1 1 2 2 GLU CA C 13 56.578 0.03 . . . . . . A 2 GLU CA . 30293 1 11 . 1 1 2 2 GLU CB C 13 30.376 0.02 . . . . . . A 2 GLU CB . 30293 1 12 . 1 1 2 2 GLU CG C 13 35.879 0.04 . . . . . . A 2 GLU CG . 30293 1 13 . 1 1 3 3 PHE H H 1 8.635 0.00 . . . . . . A 3 PHE H . 30293 1 14 . 1 1 3 3 PHE HA H 1 4.582 0.00 . . . . . . A 3 PHE HA . 30293 1 15 . 1 1 3 3 PHE HB2 H 1 3.165 0.01 . . . . . . A 3 PHE HB2 . 30293 1 16 . 1 1 3 3 PHE HB3 H 1 2.990 0.01 . . . . . . A 3 PHE HB3 . 30293 1 17 . 1 1 3 3 PHE HD1 H 1 7.223 0.00 . . . . . . A 3 PHE HD1 . 30293 1 18 . 1 1 3 3 PHE HD2 H 1 7.223 0.00 . . . . . . A 3 PHE HD2 . 30293 1 19 . 1 1 3 3 PHE HE1 H 1 7.313 0.00 . . . . . . A 3 PHE HE1 . 30293 1 20 . 1 1 3 3 PHE HE2 H 1 7.313 0.00 . . . . . . A 3 PHE HE2 . 30293 1 21 . 1 1 3 3 PHE HZ H 1 7.254 0.00 . . . . . . A 3 PHE HZ . 30293 1 22 . 1 1 3 3 PHE C C 13 176.478 0.00 . . . . . . A 3 PHE C . 30293 1 23 . 1 1 3 3 PHE CA C 13 58.104 0.03 . . . . . . A 3 PHE CA . 30293 1 24 . 1 1 3 3 PHE CB C 13 39.221 0.04 . . . . . . A 3 PHE CB . 30293 1 25 . 1 1 3 3 PHE CD1 C 13 131.731 0.00 . . . . . . A 3 PHE CD1 . 30293 1 26 . 1 1 3 3 PHE CD2 C 13 131.731 0.00 . . . . . . A 3 PHE CD2 . 30293 1 27 . 1 1 3 3 PHE CE1 C 13 131.440 0.00 . . . . . . A 3 PHE CE1 . 30293 1 28 . 1 1 3 3 PHE CE2 C 13 131.440 0.00 . . . . . . A 3 PHE CE2 . 30293 1 29 . 1 1 3 3 PHE CZ C 13 129.786 0.00 . . . . . . A 3 PHE CZ . 30293 1 30 . 1 1 3 3 PHE N N 15 121.144 0.01 . . . . . . A 3 PHE N . 30293 1 31 . 1 1 4 4 GLY H H 1 8.385 0.00 . . . . . . A 4 GLY H . 30293 1 32 . 1 1 4 4 GLY HA2 H 1 3.935 0.00 . . . . . . A 4 GLY HA2 . 30293 1 33 . 1 1 4 4 GLY HA3 H 1 3.768 0.00 . . . . . . A 4 GLY HA3 . 30293 1 34 . 1 1 4 4 GLY C C 13 174.077 0.00 . . . . . . A 4 GLY C . 30293 1 35 . 1 1 4 4 GLY CA C 13 45.322 0.03 . . . . . . A 4 GLY CA . 30293 1 36 . 1 1 4 4 GLY N N 15 111.236 0.02 . . . . . . A 4 GLY N . 30293 1 37 . 1 1 5 5 SER H H 1 8.178 0.00 . . . . . . A 5 SER H . 30293 1 38 . 1 1 5 5 SER HA H 1 4.373 0.00 . . . . . . A 5 SER HA . 30293 1 39 . 1 1 5 5 SER HB2 H 1 3.809 0.00 . . . . . . A 5 SER HB2 . 30293 1 40 . 1 1 5 5 SER HB3 H 1 3.809 0.00 . . . . . . A 5 SER HB3 . 30293 1 41 . 1 1 5 5 SER C C 13 174.466 0.00 . . . . . . A 5 SER C . 30293 1 42 . 1 1 5 5 SER CA C 13 58.355 0.03 . . . . . . A 5 SER CA . 30293 1 43 . 1 1 5 5 SER CB C 13 63.834 0.07 . . . . . . A 5 SER CB . 30293 1 44 . 1 1 5 5 SER N N 15 115.685 0.01 . . . . . . A 5 SER N . 30293 1 45 . 1 1 6 6 MET H H 1 8.470 0.00 . . . . . . A 6 MET H . 30293 1 46 . 1 1 6 6 MET HA H 1 4.462 0.00 . . . . . . A 6 MET HA . 30293 1 47 . 1 1 6 6 MET HB2 H 1 2.028 0.01 . . . . . . A 6 MET HB2 . 30293 1 48 . 1 1 6 6 MET HB3 H 1 1.955 0.01 . . . . . . A 6 MET HB3 . 30293 1 49 . 1 1 6 6 MET HG2 H 1 2.546 0.00 . . . . . . A 6 MET HG2 . 30293 1 50 . 1 1 6 6 MET HG3 H 1 2.477 0.00 . . . . . . A 6 MET HG3 . 30293 1 51 . 1 1 6 6 MET HE1 H 1 2.026 0.00 . . . . . . A 6 MET HE1 . 30293 1 52 . 1 1 6 6 MET HE2 H 1 2.026 0.00 . . . . . . A 6 MET HE2 . 30293 1 53 . 1 1 6 6 MET HE3 H 1 2.026 0.00 . . . . . . A 6 MET HE3 . 30293 1 54 . 1 1 6 6 MET C C 13 175.854 0.00 . . . . . . A 6 MET C . 30293 1 55 . 1 1 6 6 MET CA C 13 55.512 0.07 . . . . . . A 6 MET CA . 30293 1 56 . 1 1 6 6 MET CB C 13 32.780 0.06 . . . . . . A 6 MET CB . 30293 1 57 . 1 1 6 6 MET CG C 13 31.958 0.06 . . . . . . A 6 MET CG . 30293 1 58 . 1 1 6 6 MET CE C 13 16.856 0.00 . . . . . . A 6 MET CE . 30293 1 59 . 1 1 6 6 MET N N 15 122.544 0.01 . . . . . . A 6 MET N . 30293 1 60 . 1 1 7 7 VAL H H 1 7.979 0.00 . . . . . . A 7 VAL H . 30293 1 61 . 1 1 7 7 VAL HA H 1 4.228 0.00 . . . . . . A 7 VAL HA . 30293 1 62 . 1 1 7 7 VAL HB H 1 2.179 0.00 . . . . . . A 7 VAL HB . 30293 1 63 . 1 1 7 7 VAL HG11 H 1 0.855 0.00 . . . . . . A 7 VAL HG11 . 30293 1 64 . 1 1 7 7 VAL HG12 H 1 0.855 0.00 . . . . . . A 7 VAL HG12 . 30293 1 65 . 1 1 7 7 VAL HG13 H 1 0.855 0.00 . . . . . . A 7 VAL HG13 . 30293 1 66 . 1 1 7 7 VAL HG21 H 1 0.760 0.00 . . . . . . A 7 VAL HG21 . 30293 1 67 . 1 1 7 7 VAL HG22 H 1 0.760 0.00 . . . . . . A 7 VAL HG22 . 30293 1 68 . 1 1 7 7 VAL HG23 H 1 0.760 0.00 . . . . . . A 7 VAL HG23 . 30293 1 69 . 1 1 7 7 VAL C C 13 175.694 0.00 . . . . . . A 7 VAL C . 30293 1 70 . 1 1 7 7 VAL CA C 13 61.463 0.05 . . . . . . A 7 VAL CA . 30293 1 71 . 1 1 7 7 VAL CB C 13 32.972 0.04 . . . . . . A 7 VAL CB . 30293 1 72 . 1 1 7 7 VAL CG1 C 13 21.578 0.04 . . . . . . A 7 VAL CG1 . 30293 1 73 . 1 1 7 7 VAL CG2 C 13 20.453 0.04 . . . . . . A 7 VAL CG2 . 30293 1 74 . 1 1 7 7 VAL N N 15 119.922 0.03 . . . . . . A 7 VAL N . 30293 1 75 . 1 1 8 8 LYS H H 1 8.446 0.00 . . . . . . A 8 LYS H . 30293 1 76 . 1 1 8 8 LYS HA H 1 4.036 0.00 . . . . . . A 8 LYS HA . 30293 1 77 . 1 1 8 8 LYS HB2 H 1 1.560 0.01 . . . . . . A 8 LYS HB2 . 30293 1 78 . 1 1 8 8 LYS HB3 H 1 1.560 0.01 . . . . . . A 8 LYS HB3 . 30293 1 79 . 1 1 8 8 LYS HG2 H 1 1.262 0.01 . . . . . . A 8 LYS HG2 . 30293 1 80 . 1 1 8 8 LYS HG3 H 1 1.262 0.01 . . . . . . A 8 LYS HG3 . 30293 1 81 . 1 1 8 8 LYS HD2 H 1 1.577 0.00 . . . . . . A 8 LYS HD2 . 30293 1 82 . 1 1 8 8 LYS HD3 H 1 1.476 0.00 . . . . . . A 8 LYS HD3 . 30293 1 83 . 1 1 8 8 LYS HE2 H 1 2.909 0.00 . . . . . . A 8 LYS HE2 . 30293 1 84 . 1 1 8 8 LYS HE3 H 1 2.909 0.00 . . . . . . A 8 LYS HE3 . 30293 1 85 . 1 1 8 8 LYS C C 13 176.558 0.00 . . . . . . A 8 LYS C . 30293 1 86 . 1 1 8 8 LYS CA C 13 57.571 0.06 . . . . . . A 8 LYS CA . 30293 1 87 . 1 1 8 8 LYS CB C 13 32.865 0.05 . . . . . . A 8 LYS CB . 30293 1 88 . 1 1 8 8 LYS CG C 13 24.615 0.04 . . . . . . A 8 LYS CG . 30293 1 89 . 1 1 8 8 LYS CD C 13 28.789 0.04 . . . . . . A 8 LYS CD . 30293 1 90 . 1 1 8 8 LYS CE C 13 42.218 0.06 . . . . . . A 8 LYS CE . 30293 1 91 . 1 1 8 8 LYS N N 15 126.980 0.02 . . . . . . A 8 LYS N . 30293 1 92 . 1 1 9 9 GLU H H 1 9.109 0.00 . . . . . . A 9 GLU H . 30293 1 93 . 1 1 9 9 GLU HA H 1 4.520 0.01 . . . . . . A 9 GLU HA . 30293 1 94 . 1 1 9 9 GLU HB2 H 1 1.979 0.01 . . . . . . A 9 GLU HB2 . 30293 1 95 . 1 1 9 9 GLU HB3 H 1 1.796 0.01 . . . . . . A 9 GLU HB3 . 30293 1 96 . 1 1 9 9 GLU HG2 H 1 2.271 0.00 . . . . . . A 9 GLU HG2 . 30293 1 97 . 1 1 9 9 GLU HG3 H 1 2.193 0.02 . . . . . . A 9 GLU HG3 . 30293 1 98 . 1 1 9 9 GLU C C 13 175.416 0.00 . . . . . . A 9 GLU C . 30293 1 99 . 1 1 9 9 GLU CA C 13 55.428 0.04 . . . . . . A 9 GLU CA . 30293 1 100 . 1 1 9 9 GLU CB C 13 31.743 0.03 . . . . . . A 9 GLU CB . 30293 1 101 . 1 1 9 9 GLU CG C 13 36.304 0.00 . . . . . . A 9 GLU CG . 30293 1 102 . 1 1 9 9 GLU N N 15 121.585 0.02 . . . . . . A 9 GLU N . 30293 1 103 . 1 1 10 10 THR H H 1 8.410 0.01 . . . . . . A 10 THR H . 30293 1 104 . 1 1 10 10 THR HA H 1 4.616 0.00 . . . . . . A 10 THR HA . 30293 1 105 . 1 1 10 10 THR HB H 1 4.677 0.00 . . . . . . A 10 THR HB . 30293 1 106 . 1 1 10 10 THR HG21 H 1 1.091 0.00 . . . . . . A 10 THR HG21 . 30293 1 107 . 1 1 10 10 THR HG22 H 1 1.091 0.00 . . . . . . A 10 THR HG22 . 30293 1 108 . 1 1 10 10 THR HG23 H 1 1.091 0.00 . . . . . . A 10 THR HG23 . 30293 1 109 . 1 1 10 10 THR C C 13 176.569 0.00 . . . . . . A 10 THR C . 30293 1 110 . 1 1 10 10 THR CA C 13 62.353 0.05 . . . . . . A 10 THR CA . 30293 1 111 . 1 1 10 10 THR CB C 13 69.052 0.06 . . . . . . A 10 THR CB . 30293 1 112 . 1 1 10 10 THR CG2 C 13 21.538 0.04 . . . . . . A 10 THR CG2 . 30293 1 113 . 1 1 10 10 THR N N 15 111.377 0.03 . . . . . . A 10 THR N . 30293 1 114 . 1 1 11 11 LYS H H 1 7.947 0.00 . . . . . . A 11 LYS H . 30293 1 115 . 1 1 11 11 LYS HA H 1 4.172 0.01 . . . . . . A 11 LYS HA . 30293 1 116 . 1 1 11 11 LYS HB2 H 1 1.953 0.01 . . . . . . A 11 LYS HB2 . 30293 1 117 . 1 1 11 11 LYS HB3 H 1 1.711 0.00 . . . . . . A 11 LYS HB3 . 30293 1 118 . 1 1 11 11 LYS HG2 H 1 1.468 0.01 . . . . . . A 11 LYS HG2 . 30293 1 119 . 1 1 11 11 LYS HG3 H 1 1.270 0.00 . . . . . . A 11 LYS HG3 . 30293 1 120 . 1 1 11 11 LYS HD2 H 1 1.681 0.00 . . . . . . A 11 LYS HD2 . 30293 1 121 . 1 1 11 11 LYS HD3 H 1 1.631 0.00 . . . . . . A 11 LYS HD3 . 30293 1 122 . 1 1 11 11 LYS HE2 H 1 2.889 0.00 . . . . . . A 11 LYS HE2 . 30293 1 123 . 1 1 11 11 LYS HE3 H 1 2.830 0.00 . . . . . . A 11 LYS HE3 . 30293 1 124 . 1 1 11 11 LYS C C 13 177.712 0.00 . . . . . . A 11 LYS C . 30293 1 125 . 1 1 11 11 LYS CA C 13 60.375 0.07 . . . . . . A 11 LYS CA . 30293 1 126 . 1 1 11 11 LYS CB C 13 32.690 0.04 . . . . . . A 11 LYS CB . 30293 1 127 . 1 1 11 11 LYS CG C 13 24.537 0.04 . . . . . . A 11 LYS CG . 30293 1 128 . 1 1 11 11 LYS CD C 13 29.058 0.04 . . . . . . A 11 LYS CD . 30293 1 129 . 1 1 11 11 LYS CE C 13 42.015 0.03 . . . . . . A 11 LYS CE . 30293 1 130 . 1 1 11 11 LYS N N 15 123.475 0.03 . . . . . . A 11 LYS N . 30293 1 131 . 1 1 12 12 PHE H H 1 8.220 0.00 . . . . . . A 12 PHE H . 30293 1 132 . 1 1 12 12 PHE HA H 1 4.497 0.00 . . . . . . A 12 PHE HA . 30293 1 133 . 1 1 12 12 PHE HB2 H 1 2.680 0.00 . . . . . . A 12 PHE HB2 . 30293 1 134 . 1 1 12 12 PHE HB3 H 1 2.282 0.00 . . . . . . A 12 PHE HB3 . 30293 1 135 . 1 1 12 12 PHE HD1 H 1 6.250 0.00 . . . . . . A 12 PHE HD1 . 30293 1 136 . 1 1 12 12 PHE HD2 H 1 6.250 0.00 . . . . . . A 12 PHE HD2 . 30293 1 137 . 1 1 12 12 PHE HE1 H 1 7.152 0.00 . . . . . . A 12 PHE HE1 . 30293 1 138 . 1 1 12 12 PHE HE2 H 1 7.152 0.00 . . . . . . A 12 PHE HE2 . 30293 1 139 . 1 1 12 12 PHE HZ H 1 7.147 0.00 . . . . . . A 12 PHE HZ . 30293 1 140 . 1 1 12 12 PHE C C 13 177.184 0.00 . . . . . . A 12 PHE C . 30293 1 141 . 1 1 12 12 PHE CA C 13 58.236 0.03 . . . . . . A 12 PHE CA . 30293 1 142 . 1 1 12 12 PHE CB C 13 37.105 0.03 . . . . . . A 12 PHE CB . 30293 1 143 . 1 1 12 12 PHE CD1 C 13 128.623 0.00 . . . . . . A 12 PHE CD1 . 30293 1 144 . 1 1 12 12 PHE CD2 C 13 128.623 0.00 . . . . . . A 12 PHE CD2 . 30293 1 145 . 1 1 12 12 PHE CE1 C 13 131.804 0.00 . . . . . . A 12 PHE CE1 . 30293 1 146 . 1 1 12 12 PHE CE2 C 13 131.804 0.00 . . . . . . A 12 PHE CE2 . 30293 1 147 . 1 1 12 12 PHE CZ C 13 129.445 0.00 . . . . . . A 12 PHE CZ . 30293 1 148 . 1 1 12 12 PHE N N 15 115.299 0.03 . . . . . . A 12 PHE N . 30293 1 149 . 1 1 13 13 TYR H H 1 7.270 0.00 . . . . . . A 13 TYR H . 30293 1 150 . 1 1 13 13 TYR HA H 1 3.895 0.00 . . . . . . A 13 TYR HA . 30293 1 151 . 1 1 13 13 TYR HB2 H 1 3.559 0.00 . . . . . . A 13 TYR HB2 . 30293 1 152 . 1 1 13 13 TYR HB3 H 1 2.978 0.00 . . . . . . A 13 TYR HB3 . 30293 1 153 . 1 1 13 13 TYR HD1 H 1 7.048 0.00 . . . . . . A 13 TYR HD1 . 30293 1 154 . 1 1 13 13 TYR HD2 H 1 7.048 0.00 . . . . . . A 13 TYR HD2 . 30293 1 155 . 1 1 13 13 TYR C C 13 178.298 0.00 . . . . . . A 13 TYR C . 30293 1 156 . 1 1 13 13 TYR CA C 13 61.896 0.05 . . . . . . A 13 TYR CA . 30293 1 157 . 1 1 13 13 TYR CB C 13 36.345 0.06 . . . . . . A 13 TYR CB . 30293 1 158 . 1 1 13 13 TYR CD1 C 13 133.635 0.00 . . . . . . A 13 TYR CD1 . 30293 1 159 . 1 1 13 13 TYR CD2 C 13 133.635 0.00 . . . . . . A 13 TYR CD2 . 30293 1 160 . 1 1 13 13 TYR N N 15 116.553 0.03 . . . . . . A 13 TYR N . 30293 1 161 . 1 1 14 14 ASP H H 1 8.338 0.00 . . . . . . A 14 ASP H . 30293 1 162 . 1 1 14 14 ASP HA H 1 4.390 0.00 . . . . . . A 14 ASP HA . 30293 1 163 . 1 1 14 14 ASP HB2 H 1 2.900 0.00 . . . . . . A 14 ASP HB2 . 30293 1 164 . 1 1 14 14 ASP HB3 H 1 2.746 0.00 . . . . . . A 14 ASP HB3 . 30293 1 165 . 1 1 14 14 ASP C C 13 180.055 0.00 . . . . . . A 14 ASP C . 30293 1 166 . 1 1 14 14 ASP CA C 13 57.178 0.02 . . . . . . A 14 ASP CA . 30293 1 167 . 1 1 14 14 ASP CB C 13 39.934 0.04 . . . . . . A 14 ASP CB . 30293 1 168 . 1 1 14 14 ASP N N 15 120.285 0.02 . . . . . . A 14 ASP N . 30293 1 169 . 1 1 15 15 ILE H H 1 8.506 0.00 . . . . . . A 15 ILE H . 30293 1 170 . 1 1 15 15 ILE HA H 1 3.793 0.00 . . . . . . A 15 ILE HA . 30293 1 171 . 1 1 15 15 ILE HB H 1 1.944 0.00 . . . . . . A 15 ILE HB . 30293 1 172 . 1 1 15 15 ILE HG12 H 1 1.058 0.14 . . . . . . A 15 ILE HG12 . 30293 1 173 . 1 1 15 15 ILE HG13 H 1 1.342 0.45 . . . . . . A 15 ILE HG13 . 30293 1 174 . 1 1 15 15 ILE HG21 H 1 0.909 0.00 . . . . . . A 15 ILE HG21 . 30293 1 175 . 1 1 15 15 ILE HG22 H 1 0.909 0.00 . . . . . . A 15 ILE HG22 . 30293 1 176 . 1 1 15 15 ILE HG23 H 1 0.909 0.00 . . . . . . A 15 ILE HG23 . 30293 1 177 . 1 1 15 15 ILE HD11 H 1 0.907 0.01 . . . . . . A 15 ILE HD11 . 30293 1 178 . 1 1 15 15 ILE HD12 H 1 0.907 0.01 . . . . . . A 15 ILE HD12 . 30293 1 179 . 1 1 15 15 ILE HD13 H 1 0.907 0.01 . . . . . . A 15 ILE HD13 . 30293 1 180 . 1 1 15 15 ILE C C 13 177.595 0.00 . . . . . . A 15 ILE C . 30293 1 181 . 1 1 15 15 ILE CA C 13 64.548 0.03 . . . . . . A 15 ILE CA . 30293 1 182 . 1 1 15 15 ILE CB C 13 38.141 0.08 . . . . . . A 15 ILE CB . 30293 1 183 . 1 1 15 15 ILE CG1 C 13 29.497 0.04 . . . . . . A 15 ILE CG1 . 30293 1 184 . 1 1 15 15 ILE CG2 C 13 17.615 0.04 . . . . . . A 15 ILE CG2 . 30293 1 185 . 1 1 15 15 ILE CD1 C 13 14.548 0.04 . . . . . . A 15 ILE CD1 . 30293 1 186 . 1 1 15 15 ILE N N 15 121.068 0.02 . . . . . . A 15 ILE N . 30293 1 187 . 1 1 16 16 LEU H H 1 6.955 0.00 . . . . . . A 16 LEU H . 30293 1 188 . 1 1 16 16 LEU HA H 1 4.396 0.00 . . . . . . A 16 LEU HA . 30293 1 189 . 1 1 16 16 LEU HB2 H 1 1.851 0.01 . . . . . . A 16 LEU HB2 . 30293 1 190 . 1 1 16 16 LEU HB3 H 1 1.586 0.00 . . . . . . A 16 LEU HB3 . 30293 1 191 . 1 1 16 16 LEU HG H 1 1.897 0.00 . . . . . . A 16 LEU HG . 30293 1 192 . 1 1 16 16 LEU HD11 H 1 1.085 0.00 . . . . . . A 16 LEU HD11 . 30293 1 193 . 1 1 16 16 LEU HD12 H 1 1.085 0.00 . . . . . . A 16 LEU HD12 . 30293 1 194 . 1 1 16 16 LEU HD13 H 1 1.085 0.00 . . . . . . A 16 LEU HD13 . 30293 1 195 . 1 1 16 16 LEU HD21 H 1 0.911 0.00 . . . . . . A 16 LEU HD21 . 30293 1 196 . 1 1 16 16 LEU HD22 H 1 0.911 0.00 . . . . . . A 16 LEU HD22 . 30293 1 197 . 1 1 16 16 LEU HD23 H 1 0.911 0.00 . . . . . . A 16 LEU HD23 . 30293 1 198 . 1 1 16 16 LEU C C 13 176.050 0.00 . . . . . . A 16 LEU C . 30293 1 199 . 1 1 16 16 LEU CA C 13 55.251 0.01 . . . . . . A 16 LEU CA . 30293 1 200 . 1 1 16 16 LEU CB C 13 42.455 0.03 . . . . . . A 16 LEU CB . 30293 1 201 . 1 1 16 16 LEU CG C 13 26.974 0.07 . . . . . . A 16 LEU CG . 30293 1 202 . 1 1 16 16 LEU CD1 C 13 23.237 0.02 . . . . . . A 16 LEU CD1 . 30293 1 203 . 1 1 16 16 LEU CD2 C 13 26.997 0.04 . . . . . . A 16 LEU CD2 . 30293 1 204 . 1 1 16 16 LEU N N 15 116.299 0.01 . . . . . . A 16 LEU N . 30293 1 205 . 1 1 17 17 GLY H H 1 8.130 0.00 . . . . . . A 17 GLY H . 30293 1 206 . 1 1 17 17 GLY HA2 H 1 3.954 0.00 . . . . . . A 17 GLY HA2 . 30293 1 207 . 1 1 17 17 GLY HA3 H 1 3.954 0.00 . . . . . . A 17 GLY HA3 . 30293 1 208 . 1 1 17 17 GLY C C 13 175.187 0.00 . . . . . . A 17 GLY C . 30293 1 209 . 1 1 17 17 GLY CA C 13 46.513 0.03 . . . . . . A 17 GLY CA . 30293 1 210 . 1 1 17 17 GLY N N 15 109.104 0.01 . . . . . . A 17 GLY N . 30293 1 211 . 1 1 18 18 VAL H H 1 7.872 0.00 . . . . . . A 18 VAL H . 30293 1 212 . 1 1 18 18 VAL HA H 1 4.966 0.00 . . . . . . A 18 VAL HA . 30293 1 213 . 1 1 18 18 VAL HB H 1 2.261 0.00 . . . . . . A 18 VAL HB . 30293 1 214 . 1 1 18 18 VAL HG11 H 1 0.832 0.00 . . . . . . A 18 VAL HG11 . 30293 1 215 . 1 1 18 18 VAL HG12 H 1 0.832 0.00 . . . . . . A 18 VAL HG12 . 30293 1 216 . 1 1 18 18 VAL HG13 H 1 0.832 0.00 . . . . . . A 18 VAL HG13 . 30293 1 217 . 1 1 18 18 VAL HG21 H 1 1.022 0.00 . . . . . . A 18 VAL HG21 . 30293 1 218 . 1 1 18 18 VAL HG22 H 1 1.022 0.00 . . . . . . A 18 VAL HG22 . 30293 1 219 . 1 1 18 18 VAL HG23 H 1 1.022 0.00 . . . . . . A 18 VAL HG23 . 30293 1 220 . 1 1 18 18 VAL CA C 13 56.902 0.03 . . . . . . A 18 VAL CA . 30293 1 221 . 1 1 18 18 VAL CB C 13 33.088 0.03 . . . . . . A 18 VAL CB . 30293 1 222 . 1 1 18 18 VAL CG1 C 13 22.903 0.00 . . . . . . A 18 VAL CG1 . 30293 1 223 . 1 1 18 18 VAL CG2 C 13 19.050 0.00 . . . . . . A 18 VAL CG2 . 30293 1 224 . 1 1 18 18 VAL N N 15 111.745 0.02 . . . . . . A 18 VAL N . 30293 1 225 . 1 1 19 19 PRO HA H 1 4.588 0.00 . . . . . . A 19 PRO HA . 30293 1 226 . 1 1 19 19 PRO HB2 H 1 2.309 0.00 . . . . . . A 19 PRO HB2 . 30293 1 227 . 1 1 19 19 PRO HB3 H 1 1.798 0.00 . . . . . . A 19 PRO HB3 . 30293 1 228 . 1 1 19 19 PRO HG2 H 1 1.985 0.01 . . . . . . A 19 PRO HG2 . 30293 1 229 . 1 1 19 19 PRO HG3 H 1 1.804 0.00 . . . . . . A 19 PRO HG3 . 30293 1 230 . 1 1 19 19 PRO HD2 H 1 3.724 0.01 . . . . . . A 19 PRO HD2 . 30293 1 231 . 1 1 19 19 PRO HD3 H 1 3.679 0.00 . . . . . . A 19 PRO HD3 . 30293 1 232 . 1 1 19 19 PRO C C 13 177.263 0.00 . . . . . . A 19 PRO C . 30293 1 233 . 1 1 19 19 PRO CA C 13 61.597 0.05 . . . . . . A 19 PRO CA . 30293 1 234 . 1 1 19 19 PRO CB C 13 32.997 0.06 . . . . . . A 19 PRO CB . 30293 1 235 . 1 1 19 19 PRO CG C 13 27.406 0.04 . . . . . . A 19 PRO CG . 30293 1 236 . 1 1 19 19 PRO CD C 13 50.301 0.05 . . . . . . A 19 PRO CD . 30293 1 237 . 1 1 20 20 VAL H H 1 8.214 0.00 . . . . . . A 20 VAL H . 30293 1 238 . 1 1 20 20 VAL HA H 1 2.497 0.00 . . . . . . A 20 VAL HA . 30293 1 239 . 1 1 20 20 VAL HB H 1 1.683 0.00 . . . . . . A 20 VAL HB . 30293 1 240 . 1 1 20 20 VAL HG11 H 1 0.719 0.00 . . . . . . A 20 VAL HG11 . 30293 1 241 . 1 1 20 20 VAL HG12 H 1 0.719 0.00 . . . . . . A 20 VAL HG12 . 30293 1 242 . 1 1 20 20 VAL HG13 H 1 0.719 0.00 . . . . . . A 20 VAL HG13 . 30293 1 243 . 1 1 20 20 VAL HG21 H 1 0.742 0.00 . . . . . . A 20 VAL HG21 . 30293 1 244 . 1 1 20 20 VAL HG22 H 1 0.742 0.00 . . . . . . A 20 VAL HG22 . 30293 1 245 . 1 1 20 20 VAL HG23 H 1 0.742 0.00 . . . . . . A 20 VAL HG23 . 30293 1 246 . 1 1 20 20 VAL C C 13 176.017 0.00 . . . . . . A 20 VAL C . 30293 1 247 . 1 1 20 20 VAL CA C 13 63.035 0.03 . . . . . . A 20 VAL CA . 30293 1 248 . 1 1 20 20 VAL CB C 13 30.731 0.04 . . . . . . A 20 VAL CB . 30293 1 249 . 1 1 20 20 VAL CG1 C 13 21.254 0.03 . . . . . . A 20 VAL CG1 . 30293 1 250 . 1 1 20 20 VAL CG2 C 13 19.663 0.04 . . . . . . A 20 VAL CG2 . 30293 1 251 . 1 1 20 20 VAL N N 15 113.275 0.01 . . . . . . A 20 VAL N . 30293 1 252 . 1 1 21 21 THR H H 1 6.686 0.00 . . . . . . A 21 THR H . 30293 1 253 . 1 1 21 21 THR HA H 1 4.115 0.00 . . . . . . A 21 THR HA . 30293 1 254 . 1 1 21 21 THR HB H 1 4.580 0.00 . . . . . . A 21 THR HB . 30293 1 255 . 1 1 21 21 THR HG21 H 1 1.062 0.00 . . . . . . A 21 THR HG21 . 30293 1 256 . 1 1 21 21 THR HG22 H 1 1.062 0.00 . . . . . . A 21 THR HG22 . 30293 1 257 . 1 1 21 21 THR HG23 H 1 1.062 0.00 . . . . . . A 21 THR HG23 . 30293 1 258 . 1 1 21 21 THR C C 13 174.659 0.00 . . . . . . A 21 THR C . 30293 1 259 . 1 1 21 21 THR CA C 13 59.963 0.05 . . . . . . A 21 THR CA . 30293 1 260 . 1 1 21 21 THR CB C 13 68.256 0.06 . . . . . . A 21 THR CB . 30293 1 261 . 1 1 21 21 THR CG2 C 13 21.880 0.02 . . . . . . A 21 THR CG2 . 30293 1 262 . 1 1 21 21 THR N N 15 104.149 0.02 . . . . . . A 21 THR N . 30293 1 263 . 1 1 22 22 ALA H H 1 7.540 0.00 . . . . . . A 22 ALA H . 30293 1 264 . 1 1 22 22 ALA HA H 1 4.399 0.00 . . . . . . A 22 ALA HA . 30293 1 265 . 1 1 22 22 ALA HB1 H 1 1.567 0.00 . . . . . . A 22 ALA HB1 . 30293 1 266 . 1 1 22 22 ALA HB2 H 1 1.567 0.00 . . . . . . A 22 ALA HB2 . 30293 1 267 . 1 1 22 22 ALA HB3 H 1 1.567 0.00 . . . . . . A 22 ALA HB3 . 30293 1 268 . 1 1 22 22 ALA C C 13 178.129 0.00 . . . . . . A 22 ALA C . 30293 1 269 . 1 1 22 22 ALA CA C 13 52.639 0.03 . . . . . . A 22 ALA CA . 30293 1 270 . 1 1 22 22 ALA CB C 13 19.938 0.03 . . . . . . A 22 ALA CB . 30293 1 271 . 1 1 22 22 ALA N N 15 124.492 0.01 . . . . . . A 22 ALA N . 30293 1 272 . 1 1 23 23 THR H H 1 8.954 0.00 . . . . . . A 23 THR H . 30293 1 273 . 1 1 23 23 THR HA H 1 4.586 0.00 . . . . . . A 23 THR HA . 30293 1 274 . 1 1 23 23 THR HB H 1 4.801 0.00 . . . . . . A 23 THR HB . 30293 1 275 . 1 1 23 23 THR HG21 H 1 1.413 0.00 . . . . . . A 23 THR HG21 . 30293 1 276 . 1 1 23 23 THR HG22 H 1 1.413 0.00 . . . . . . A 23 THR HG22 . 30293 1 277 . 1 1 23 23 THR HG23 H 1 1.413 0.00 . . . . . . A 23 THR HG23 . 30293 1 278 . 1 1 23 23 THR C C 13 175.140 0.00 . . . . . . A 23 THR C . 30293 1 279 . 1 1 23 23 THR CA C 13 60.551 0.06 . . . . . . A 23 THR CA . 30293 1 280 . 1 1 23 23 THR CB C 13 71.588 0.07 . . . . . . A 23 THR CB . 30293 1 281 . 1 1 23 23 THR CG2 C 13 22.006 0.02 . . . . . . A 23 THR CG2 . 30293 1 282 . 1 1 23 23 THR N N 15 112.561 0.01 . . . . . . A 23 THR N . 30293 1 283 . 1 1 24 24 ASP H H 1 9.009 0.00 . . . . . . A 24 ASP H . 30293 1 284 . 1 1 24 24 ASP HA H 1 4.260 0.00 . . . . . . A 24 ASP HA . 30293 1 285 . 1 1 24 24 ASP HB2 H 1 2.812 0.00 . . . . . . A 24 ASP HB2 . 30293 1 286 . 1 1 24 24 ASP HB3 H 1 2.721 0.00 . . . . . . A 24 ASP HB3 . 30293 1 287 . 1 1 24 24 ASP C C 13 179.074 0.00 . . . . . . A 24 ASP C . 30293 1 288 . 1 1 24 24 ASP CA C 13 57.896 0.03 . . . . . . A 24 ASP CA . 30293 1 289 . 1 1 24 24 ASP CB C 13 40.120 0.02 . . . . . . A 24 ASP CB . 30293 1 290 . 1 1 24 24 ASP N N 15 120.641 0.02 . . . . . . A 24 ASP N . 30293 1 291 . 1 1 25 25 VAL H H 1 8.249 0.00 . . . . . . A 25 VAL H . 30293 1 292 . 1 1 25 25 VAL HA H 1 3.748 0.00 . . . . . . A 25 VAL HA . 30293 1 293 . 1 1 25 25 VAL HB H 1 2.035 0.00 . . . . . . A 25 VAL HB . 30293 1 294 . 1 1 25 25 VAL HG11 H 1 1.112 0.00 . . . . . . A 25 VAL HG11 . 30293 1 295 . 1 1 25 25 VAL HG12 H 1 1.112 0.00 . . . . . . A 25 VAL HG12 . 30293 1 296 . 1 1 25 25 VAL HG13 H 1 1.112 0.00 . . . . . . A 25 VAL HG13 . 30293 1 297 . 1 1 25 25 VAL HG21 H 1 0.996 0.00 . . . . . . A 25 VAL HG21 . 30293 1 298 . 1 1 25 25 VAL HG22 H 1 0.996 0.00 . . . . . . A 25 VAL HG22 . 30293 1 299 . 1 1 25 25 VAL HG23 H 1 0.996 0.00 . . . . . . A 25 VAL HG23 . 30293 1 300 . 1 1 25 25 VAL C C 13 178.456 0.00 . . . . . . A 25 VAL C . 30293 1 301 . 1 1 25 25 VAL CA C 13 66.181 0.04 . . . . . . A 25 VAL CA . 30293 1 302 . 1 1 25 25 VAL CB C 13 32.379 0.04 . . . . . . A 25 VAL CB . 30293 1 303 . 1 1 25 25 VAL CG1 C 13 22.401 0.02 . . . . . . A 25 VAL CG1 . 30293 1 304 . 1 1 25 25 VAL CG2 C 13 21.175 0.04 . . . . . . A 25 VAL CG2 . 30293 1 305 . 1 1 25 25 VAL N N 15 120.366 0.02 . . . . . . A 25 VAL N . 30293 1 306 . 1 1 26 26 GLU H H 1 7.721 0.00 . . . . . . A 26 GLU H . 30293 1 307 . 1 1 26 26 GLU HA H 1 3.965 0.00 . . . . . . A 26 GLU HA . 30293 1 308 . 1 1 26 26 GLU HB2 H 1 2.523 0.01 . . . . . . A 26 GLU HB2 . 30293 1 309 . 1 1 26 26 GLU HB3 H 1 1.996 0.00 . . . . . . A 26 GLU HB3 . 30293 1 310 . 1 1 26 26 GLU HG2 H 1 2.423 0.01 . . . . . . A 26 GLU HG2 . 30293 1 311 . 1 1 26 26 GLU HG3 H 1 2.324 0.00 . . . . . . A 26 GLU HG3 . 30293 1 312 . 1 1 26 26 GLU C C 13 180.430 0.00 . . . . . . A 26 GLU C . 30293 1 313 . 1 1 26 26 GLU CA C 13 59.505 0.03 . . . . . . A 26 GLU CA . 30293 1 314 . 1 1 26 26 GLU CB C 13 29.974 0.04 . . . . . . A 26 GLU CB . 30293 1 315 . 1 1 26 26 GLU CG C 13 37.683 0.04 . . . . . . A 26 GLU CG . 30293 1 316 . 1 1 26 26 GLU N N 15 121.606 0.01 . . . . . . A 26 GLU N . 30293 1 317 . 1 1 27 27 ILE H H 1 8.542 0.00 . . . . . . A 27 ILE H . 30293 1 318 . 1 1 27 27 ILE HA H 1 3.629 0.00 . . . . . . A 27 ILE HA . 30293 1 319 . 1 1 27 27 ILE HB H 1 2.045 0.01 . . . . . . A 27 ILE HB . 30293 1 320 . 1 1 27 27 ILE HG12 H 1 0.927 0.01 . . . . . . A 27 ILE HG12 . 30293 1 321 . 1 1 27 27 ILE HG13 H 1 0.879 0.02 . . . . . . A 27 ILE HG13 . 30293 1 322 . 1 1 27 27 ILE HG21 H 1 0.810 0.00 . . . . . . A 27 ILE HG21 . 30293 1 323 . 1 1 27 27 ILE HG22 H 1 0.810 0.00 . . . . . . A 27 ILE HG22 . 30293 1 324 . 1 1 27 27 ILE HG23 H 1 0.810 0.00 . . . . . . A 27 ILE HG23 . 30293 1 325 . 1 1 27 27 ILE HD11 H 1 0.808 0.00 . . . . . . A 27 ILE HD11 . 30293 1 326 . 1 1 27 27 ILE HD12 H 1 0.808 0.00 . . . . . . A 27 ILE HD12 . 30293 1 327 . 1 1 27 27 ILE HD13 H 1 0.808 0.00 . . . . . . A 27 ILE HD13 . 30293 1 328 . 1 1 27 27 ILE C C 13 176.990 0.00 . . . . . . A 27 ILE C . 30293 1 329 . 1 1 27 27 ILE CA C 13 66.313 0.08 . . . . . . A 27 ILE CA . 30293 1 330 . 1 1 27 27 ILE CB C 13 38.228 0.06 . . . . . . A 27 ILE CB . 30293 1 331 . 1 1 27 27 ILE CG1 C 13 31.451 0.05 . . . . . . A 27 ILE CG1 . 30293 1 332 . 1 1 27 27 ILE CG2 C 13 17.229 0.05 . . . . . . A 27 ILE CG2 . 30293 1 333 . 1 1 27 27 ILE CD1 C 13 13.651 0.07 . . . . . . A 27 ILE CD1 . 30293 1 334 . 1 1 27 27 ILE N N 15 122.799 0.02 . . . . . . A 27 ILE N . 30293 1 335 . 1 1 28 28 LYS H H 1 8.174 0.00 . . . . . . A 28 LYS H . 30293 1 336 . 1 1 28 28 LYS HA H 1 4.207 0.00 . . . . . . A 28 LYS HA . 30293 1 337 . 1 1 28 28 LYS HB2 H 1 2.083 0.00 . . . . . . A 28 LYS HB2 . 30293 1 338 . 1 1 28 28 LYS HB3 H 1 2.083 0.00 . . . . . . A 28 LYS HB3 . 30293 1 339 . 1 1 28 28 LYS HG2 H 1 1.696 0.00 . . . . . . A 28 LYS HG2 . 30293 1 340 . 1 1 28 28 LYS HG3 H 1 1.696 0.00 . . . . . . A 28 LYS HG3 . 30293 1 341 . 1 1 28 28 LYS HD2 H 1 1.786 0.00 . . . . . . A 28 LYS HD2 . 30293 1 342 . 1 1 28 28 LYS HD3 H 1 1.786 0.00 . . . . . . A 28 LYS HD3 . 30293 1 343 . 1 1 28 28 LYS HE2 H 1 3.018 0.00 . . . . . . A 28 LYS HE2 . 30293 1 344 . 1 1 28 28 LYS HE3 H 1 3.018 0.00 . . . . . . A 28 LYS HE3 . 30293 1 345 . 1 1 28 28 LYS C C 13 179.216 0.00 . . . . . . A 28 LYS C . 30293 1 346 . 1 1 28 28 LYS CA C 13 61.001 0.05 . . . . . . A 28 LYS CA . 30293 1 347 . 1 1 28 28 LYS CB C 13 32.536 0.04 . . . . . . A 28 LYS CB . 30293 1 348 . 1 1 28 28 LYS CG C 13 26.013 0.03 . . . . . . A 28 LYS CG . 30293 1 349 . 1 1 28 28 LYS CD C 13 29.721 0.06 . . . . . . A 28 LYS CD . 30293 1 350 . 1 1 28 28 LYS CE C 13 42.242 0.06 . . . . . . A 28 LYS CE . 30293 1 351 . 1 1 28 28 LYS N N 15 120.414 0.03 . . . . . . A 28 LYS N . 30293 1 352 . 1 1 29 29 LYS H H 1 8.321 0.00 . . . . . . A 29 LYS H . 30293 1 353 . 1 1 29 29 LYS HA H 1 3.968 0.00 . . . . . . A 29 LYS HA . 30293 1 354 . 1 1 29 29 LYS HB2 H 1 1.889 0.00 . . . . . . A 29 LYS HB2 . 30293 1 355 . 1 1 29 29 LYS HB3 H 1 1.889 0.00 . . . . . . A 29 LYS HB3 . 30293 1 356 . 1 1 29 29 LYS HG2 H 1 1.676 0.00 . . . . . . A 29 LYS HG2 . 30293 1 357 . 1 1 29 29 LYS HG3 H 1 1.419 0.01 . . . . . . A 29 LYS HG3 . 30293 1 358 . 1 1 29 29 LYS HD2 H 1 1.687 0.01 . . . . . . A 29 LYS HD2 . 30293 1 359 . 1 1 29 29 LYS HD3 H 1 1.687 0.01 . . . . . . A 29 LYS HD3 . 30293 1 360 . 1 1 29 29 LYS HE2 H 1 2.930 0.00 . . . . . . A 29 LYS HE2 . 30293 1 361 . 1 1 29 29 LYS HE3 H 1 2.930 0.00 . . . . . . A 29 LYS HE3 . 30293 1 362 . 1 1 29 29 LYS C C 13 179.274 0.00 . . . . . . A 29 LYS C . 30293 1 363 . 1 1 29 29 LYS CA C 13 59.943 0.02 . . . . . . A 29 LYS CA . 30293 1 364 . 1 1 29 29 LYS CB C 13 32.845 0.04 . . . . . . A 29 LYS CB . 30293 1 365 . 1 1 29 29 LYS CG C 13 25.687 0.03 . . . . . . A 29 LYS CG . 30293 1 366 . 1 1 29 29 LYS CD C 13 29.669 0.12 . . . . . . A 29 LYS CD . 30293 1 367 . 1 1 29 29 LYS CE C 13 42.019 0.07 . . . . . . A 29 LYS CE . 30293 1 368 . 1 1 29 29 LYS N N 15 119.268 0.02 . . . . . . A 29 LYS N . 30293 1 369 . 1 1 30 30 ALA H H 1 8.148 0.00 . . . . . . A 30 ALA H . 30293 1 370 . 1 1 30 30 ALA HA H 1 4.210 0.01 . . . . . . A 30 ALA HA . 30293 1 371 . 1 1 30 30 ALA HB1 H 1 1.712 0.00 . . . . . . A 30 ALA HB1 . 30293 1 372 . 1 1 30 30 ALA HB2 H 1 1.712 0.00 . . . . . . A 30 ALA HB2 . 30293 1 373 . 1 1 30 30 ALA HB3 H 1 1.712 0.00 . . . . . . A 30 ALA HB3 . 30293 1 374 . 1 1 30 30 ALA C C 13 181.062 0.00 . . . . . . A 30 ALA C . 30293 1 375 . 1 1 30 30 ALA CA C 13 55.103 0.03 . . . . . . A 30 ALA CA . 30293 1 376 . 1 1 30 30 ALA CB C 13 19.405 0.02 . . . . . . A 30 ALA CB . 30293 1 377 . 1 1 30 30 ALA N N 15 122.654 0.01 . . . . . . A 30 ALA N . 30293 1 378 . 1 1 31 31 TYR H H 1 8.664 0.00 . . . . . . A 31 TYR H . 30293 1 379 . 1 1 31 31 TYR HA H 1 4.119 0.01 . . . . . . A 31 TYR HA . 30293 1 380 . 1 1 31 31 TYR HB2 H 1 2.808 0.00 . . . . . . A 31 TYR HB2 . 30293 1 381 . 1 1 31 31 TYR HB3 H 1 2.503 0.00 . . . . . . A 31 TYR HB3 . 30293 1 382 . 1 1 31 31 TYR HD1 H 1 6.367 0.00 . . . . . . A 31 TYR HD1 . 30293 1 383 . 1 1 31 31 TYR HD2 H 1 6.367 0.00 . . . . . . A 31 TYR HD2 . 30293 1 384 . 1 1 31 31 TYR HE1 H 1 6.273 0.00 . . . . . . A 31 TYR HE1 . 30293 1 385 . 1 1 31 31 TYR HE2 H 1 6.273 0.00 . . . . . . A 31 TYR HE2 . 30293 1 386 . 1 1 31 31 TYR C C 13 176.636 0.00 . . . . . . A 31 TYR C . 30293 1 387 . 1 1 31 31 TYR CA C 13 61.572 0.04 . . . . . . A 31 TYR CA . 30293 1 388 . 1 1 31 31 TYR CB C 13 38.713 0.03 . . . . . . A 31 TYR CB . 30293 1 389 . 1 1 31 31 TYR CD1 C 13 132.302 0.00 . . . . . . A 31 TYR CD1 . 30293 1 390 . 1 1 31 31 TYR CD2 C 13 132.302 0.00 . . . . . . A 31 TYR CD2 . 30293 1 391 . 1 1 31 31 TYR CE1 C 13 116.801 0.00 . . . . . . A 31 TYR CE1 . 30293 1 392 . 1 1 31 31 TYR CE2 C 13 116.801 0.00 . . . . . . A 31 TYR CE2 . 30293 1 393 . 1 1 31 31 TYR N N 15 119.709 0.03 . . . . . . A 31 TYR N . 30293 1 394 . 1 1 32 32 ARG H H 1 8.138 0.00 . . . . . . A 32 ARG H . 30293 1 395 . 1 1 32 32 ARG HA H 1 3.598 0.00 . . . . . . A 32 ARG HA . 30293 1 396 . 1 1 32 32 ARG HB2 H 1 1.875 0.00 . . . . . . A 32 ARG HB2 . 30293 1 397 . 1 1 32 32 ARG HB3 H 1 1.875 0.00 . . . . . . A 32 ARG HB3 . 30293 1 398 . 1 1 32 32 ARG HG2 H 1 1.760 0.00 . . . . . . A 32 ARG HG2 . 30293 1 399 . 1 1 32 32 ARG HG3 H 1 1.607 0.00 . . . . . . A 32 ARG HG3 . 30293 1 400 . 1 1 32 32 ARG HD2 H 1 3.146 0.00 . . . . . . A 32 ARG HD2 . 30293 1 401 . 1 1 32 32 ARG HD3 H 1 3.146 0.00 . . . . . . A 32 ARG HD3 . 30293 1 402 . 1 1 32 32 ARG C C 13 178.713 0.00 . . . . . . A 32 ARG C . 30293 1 403 . 1 1 32 32 ARG CA C 13 59.301 0.05 . . . . . . A 32 ARG CA . 30293 1 404 . 1 1 32 32 ARG CB C 13 29.077 0.02 . . . . . . A 32 ARG CB . 30293 1 405 . 1 1 32 32 ARG CG C 13 27.260 0.04 . . . . . . A 32 ARG CG . 30293 1 406 . 1 1 32 32 ARG CD C 13 43.255 0.04 . . . . . . A 32 ARG CD . 30293 1 407 . 1 1 32 32 ARG N N 15 118.944 0.01 . . . . . . A 32 ARG N . 30293 1 408 . 1 1 33 33 LYS H H 1 7.595 0.00 . . . . . . A 33 LYS H . 30293 1 409 . 1 1 33 33 LYS HA H 1 3.940 0.00 . . . . . . A 33 LYS HA . 30293 1 410 . 1 1 33 33 LYS HB2 H 1 1.964 0.00 . . . . . . A 33 LYS HB2 . 30293 1 411 . 1 1 33 33 LYS HB3 H 1 1.964 0.00 . . . . . . A 33 LYS HB3 . 30293 1 412 . 1 1 33 33 LYS HG2 H 1 1.611 0.00 . . . . . . A 33 LYS HG2 . 30293 1 413 . 1 1 33 33 LYS HG3 H 1 1.351 0.00 . . . . . . A 33 LYS HG3 . 30293 1 414 . 1 1 33 33 LYS HD2 H 1 1.696 0.00 . . . . . . A 33 LYS HD2 . 30293 1 415 . 1 1 33 33 LYS HD3 H 1 1.696 0.00 . . . . . . A 33 LYS HD3 . 30293 1 416 . 1 1 33 33 LYS HE2 H 1 2.955 0.00 . . . . . . A 33 LYS HE2 . 30293 1 417 . 1 1 33 33 LYS HE3 H 1 2.955 0.00 . . . . . . A 33 LYS HE3 . 30293 1 418 . 1 1 33 33 LYS C C 13 179.481 0.00 . . . . . . A 33 LYS C . 30293 1 419 . 1 1 33 33 LYS CA C 13 59.913 0.03 . . . . . . A 33 LYS CA . 30293 1 420 . 1 1 33 33 LYS CB C 13 32.312 0.03 . . . . . . A 33 LYS CB . 30293 1 421 . 1 1 33 33 LYS CG C 13 25.251 0.04 . . . . . . A 33 LYS CG . 30293 1 422 . 1 1 33 33 LYS CD C 13 29.596 0.02 . . . . . . A 33 LYS CD . 30293 1 423 . 1 1 33 33 LYS CE C 13 42.133 0.00 . . . . . . A 33 LYS CE . 30293 1 424 . 1 1 33 33 LYS N N 15 117.947 0.02 . . . . . . A 33 LYS N . 30293 1 425 . 1 1 34 34 CYS H H 1 7.783 0.00 . . . . . . A 34 CYS H . 30293 1 426 . 1 1 34 34 CYS HA H 1 3.968 0.00 . . . . . . A 34 CYS HA . 30293 1 427 . 1 1 34 34 CYS HB2 H 1 3.185 0.00 . . . . . . A 34 CYS HB2 . 30293 1 428 . 1 1 34 34 CYS HB3 H 1 2.721 0.00 . . . . . . A 34 CYS HB3 . 30293 1 429 . 1 1 34 34 CYS C C 13 175.932 0.00 . . . . . . A 34 CYS C . 30293 1 430 . 1 1 34 34 CYS CA C 13 63.468 0.04 . . . . . . A 34 CYS CA . 30293 1 431 . 1 1 34 34 CYS CB C 13 26.747 0.04 . . . . . . A 34 CYS CB . 30293 1 432 . 1 1 34 34 CYS N N 15 119.270 0.02 . . . . . . A 34 CYS N . 30293 1 433 . 1 1 35 35 ALA H H 1 8.579 0.00 . . . . . . A 35 ALA H . 30293 1 434 . 1 1 35 35 ALA HA H 1 3.751 0.00 . . . . . . A 35 ALA HA . 30293 1 435 . 1 1 35 35 ALA HB1 H 1 1.054 0.00 . . . . . . A 35 ALA HB1 . 30293 1 436 . 1 1 35 35 ALA HB2 H 1 1.054 0.00 . . . . . . A 35 ALA HB2 . 30293 1 437 . 1 1 35 35 ALA HB3 H 1 1.054 0.00 . . . . . . A 35 ALA HB3 . 30293 1 438 . 1 1 35 35 ALA C C 13 179.357 0.00 . . . . . . A 35 ALA C . 30293 1 439 . 1 1 35 35 ALA CA C 13 54.913 0.06 . . . . . . A 35 ALA CA . 30293 1 440 . 1 1 35 35 ALA CB C 13 17.390 0.03 . . . . . . A 35 ALA CB . 30293 1 441 . 1 1 35 35 ALA N N 15 121.895 0.02 . . . . . . A 35 ALA N . 30293 1 442 . 1 1 36 36 LEU H H 1 7.560 0.00 . . . . . . A 36 LEU H . 30293 1 443 . 1 1 36 36 LEU HA H 1 4.021 0.00 . . . . . . A 36 LEU HA . 30293 1 444 . 1 1 36 36 LEU HB2 H 1 1.670 0.01 . . . . . . A 36 LEU HB2 . 30293 1 445 . 1 1 36 36 LEU HB3 H 1 1.487 0.01 . . . . . . A 36 LEU HB3 . 30293 1 446 . 1 1 36 36 LEU HG H 1 1.652 0.01 . . . . . . A 36 LEU HG . 30293 1 447 . 1 1 36 36 LEU HD11 H 1 0.808 0.00 . . . . . . A 36 LEU HD11 . 30293 1 448 . 1 1 36 36 LEU HD12 H 1 0.808 0.00 . . . . . . A 36 LEU HD12 . 30293 1 449 . 1 1 36 36 LEU HD13 H 1 0.808 0.00 . . . . . . A 36 LEU HD13 . 30293 1 450 . 1 1 36 36 LEU HD21 H 1 0.797 0.01 . . . . . . A 36 LEU HD21 . 30293 1 451 . 1 1 36 36 LEU HD22 H 1 0.797 0.01 . . . . . . A 36 LEU HD22 . 30293 1 452 . 1 1 36 36 LEU HD23 H 1 0.797 0.01 . . . . . . A 36 LEU HD23 . 30293 1 453 . 1 1 36 36 LEU C C 13 178.540 0.00 . . . . . . A 36 LEU C . 30293 1 454 . 1 1 36 36 LEU CA C 13 57.309 0.04 . . . . . . A 36 LEU CA . 30293 1 455 . 1 1 36 36 LEU CB C 13 42.166 0.03 . . . . . . A 36 LEU CB . 30293 1 456 . 1 1 36 36 LEU CG C 13 26.944 0.06 . . . . . . A 36 LEU CG . 30293 1 457 . 1 1 36 36 LEU CD1 C 13 24.829 0.05 . . . . . . A 36 LEU CD1 . 30293 1 458 . 1 1 36 36 LEU CD2 C 13 23.605 0.04 . . . . . . A 36 LEU CD2 . 30293 1 459 . 1 1 36 36 LEU N N 15 116.083 0.02 . . . . . . A 36 LEU N . 30293 1 460 . 1 1 37 37 LYS H H 1 7.257 0.00 . . . . . . A 37 LYS H . 30293 1 461 . 1 1 37 37 LYS HA H 1 3.903 0.00 . . . . . . A 37 LYS HA . 30293 1 462 . 1 1 37 37 LYS HB2 H 1 1.352 0.01 . . . . . . A 37 LYS HB2 . 30293 1 463 . 1 1 37 37 LYS HB3 H 1 1.171 0.00 . . . . . . A 37 LYS HB3 . 30293 1 464 . 1 1 37 37 LYS HG2 H 1 1.008 0.00 . . . . . . A 37 LYS HG2 . 30293 1 465 . 1 1 37 37 LYS HG3 H 1 0.677 0.00 . . . . . . A 37 LYS HG3 . 30293 1 466 . 1 1 37 37 LYS HD2 H 1 1.405 0.00 . . . . . . A 37 LYS HD2 . 30293 1 467 . 1 1 37 37 LYS HD3 H 1 1.328 0.00 . . . . . . A 37 LYS HD3 . 30293 1 468 . 1 1 37 37 LYS HE2 H 1 2.781 0.00 . . . . . . A 37 LYS HE2 . 30293 1 469 . 1 1 37 37 LYS HE3 H 1 2.781 0.00 . . . . . . A 37 LYS HE3 . 30293 1 470 . 1 1 37 37 LYS C C 13 177.985 0.00 . . . . . . A 37 LYS C . 30293 1 471 . 1 1 37 37 LYS CA C 13 58.369 0.03 . . . . . . A 37 LYS CA . 30293 1 472 . 1 1 37 37 LYS CB C 13 33.094 0.03 . . . . . . A 37 LYS CB . 30293 1 473 . 1 1 37 37 LYS CG C 13 24.585 0.04 . . . . . . A 37 LYS CG . 30293 1 474 . 1 1 37 37 LYS CD C 13 29.710 0.06 . . . . . . A 37 LYS CD . 30293 1 475 . 1 1 37 37 LYS CE C 13 42.037 0.03 . . . . . . A 37 LYS CE . 30293 1 476 . 1 1 37 37 LYS N N 15 117.051 0.01 . . . . . . A 37 LYS N . 30293 1 477 . 1 1 38 38 TYR H H 1 7.687 0.00 . . . . . . A 38 TYR H . 30293 1 478 . 1 1 38 38 TYR HA H 1 4.794 0.00 . . . . . . A 38 TYR HA . 30293 1 479 . 1 1 38 38 TYR HB2 H 1 3.839 0.01 . . . . . . A 38 TYR HB2 . 30293 1 480 . 1 1 38 38 TYR HB3 H 1 2.463 0.00 . . . . . . A 38 TYR HB3 . 30293 1 481 . 1 1 38 38 TYR HD1 H 1 6.966 0.00 . . . . . . A 38 TYR HD1 . 30293 1 482 . 1 1 38 38 TYR HD2 H 1 6.966 0.00 . . . . . . A 38 TYR HD2 . 30293 1 483 . 1 1 38 38 TYR HE1 H 1 6.784 0.00 . . . . . . A 38 TYR HE1 . 30293 1 484 . 1 1 38 38 TYR HE2 H 1 6.784 0.00 . . . . . . A 38 TYR HE2 . 30293 1 485 . 1 1 38 38 TYR C C 13 172.971 0.00 . . . . . . A 38 TYR C . 30293 1 486 . 1 1 38 38 TYR CA C 13 56.186 0.04 . . . . . . A 38 TYR CA . 30293 1 487 . 1 1 38 38 TYR CB C 13 39.439 0.04 . . . . . . A 38 TYR CB . 30293 1 488 . 1 1 38 38 TYR CD1 C 13 132.726 0.00 . . . . . . A 38 TYR CD1 . 30293 1 489 . 1 1 38 38 TYR CD2 C 13 132.726 0.00 . . . . . . A 38 TYR CD2 . 30293 1 490 . 1 1 38 38 TYR CE1 C 13 117.780 0.00 . . . . . . A 38 TYR CE1 . 30293 1 491 . 1 1 38 38 TYR CE2 C 13 117.780 0.00 . . . . . . A 38 TYR CE2 . 30293 1 492 . 1 1 38 38 TYR N N 15 114.244 0.02 . . . . . . A 38 TYR N . 30293 1 493 . 1 1 39 39 HIS H H 1 7.389 0.00 . . . . . . A 39 HIS H . 30293 1 494 . 1 1 39 39 HIS HA H 1 3.692 0.00 . . . . . . A 39 HIS HA . 30293 1 495 . 1 1 39 39 HIS HB2 H 1 3.383 0.00 . . . . . . A 39 HIS HB2 . 30293 1 496 . 1 1 39 39 HIS HB3 H 1 2.664 0.00 . . . . . . A 39 HIS HB3 . 30293 1 497 . 1 1 39 39 HIS HD2 H 1 7.015 0.00 . . . . . . A 39 HIS HD2 . 30293 1 498 . 1 1 39 39 HIS HE1 H 1 7.644 0.00 . . . . . . A 39 HIS HE1 . 30293 1 499 . 1 1 39 39 HIS CA C 13 56.603 0.03 . . . . . . A 39 HIS CA . 30293 1 500 . 1 1 39 39 HIS CB C 13 31.507 0.09 . . . . . . A 39 HIS CB . 30293 1 501 . 1 1 39 39 HIS CD2 C 13 118.224 0.00 . . . . . . A 39 HIS CD2 . 30293 1 502 . 1 1 39 39 HIS CE1 C 13 139.020 0.00 . . . . . . A 39 HIS CE1 . 30293 1 503 . 1 1 39 39 HIS N N 15 121.636 0.04 . . . . . . A 39 HIS N . 30293 1 504 . 1 1 40 40 PRO HA H 1 4.269 0.00 . . . . . . A 40 PRO HA . 30293 1 505 . 1 1 40 40 PRO HB2 H 1 2.124 0.00 . . . . . . A 40 PRO HB2 . 30293 1 506 . 1 1 40 40 PRO HB3 H 1 1.822 0.00 . . . . . . A 40 PRO HB3 . 30293 1 507 . 1 1 40 40 PRO HG2 H 1 1.667 0.00 . . . . . . A 40 PRO HG2 . 30293 1 508 . 1 1 40 40 PRO HG3 H 1 1.512 0.00 . . . . . . A 40 PRO HG3 . 30293 1 509 . 1 1 40 40 PRO HD2 H 1 2.842 0.00 . . . . . . A 40 PRO HD2 . 30293 1 510 . 1 1 40 40 PRO HD3 H 1 1.880 0.00 . . . . . . A 40 PRO HD3 . 30293 1 511 . 1 1 40 40 PRO CA C 13 64.638 0.00 . . . . . . A 40 PRO CA . 30293 1 512 . 1 1 40 40 PRO CB C 13 31.334 0.01 . . . . . . A 40 PRO CB . 30293 1 513 . 1 1 40 40 PRO CG C 13 27.196 0.00 . . . . . . A 40 PRO CG . 30293 1 514 . 1 1 40 40 PRO CD C 13 50.015 0.00 . . . . . . A 40 PRO CD . 30293 1 515 . 1 1 41 41 ASP HA H 1 4.485 0.00 . . . . . . A 41 ASP HA . 30293 1 516 . 1 1 41 41 ASP HB2 H 1 2.688 0.00 . . . . . . A 41 ASP HB2 . 30293 1 517 . 1 1 41 41 ASP HB3 H 1 2.688 0.00 . . . . . . A 41 ASP HB3 . 30293 1 518 . 1 1 41 41 ASP C C 13 177.370 0.00 . . . . . . A 41 ASP C . 30293 1 519 . 1 1 41 41 ASP CA C 13 56.253 0.05 . . . . . . A 41 ASP CA . 30293 1 520 . 1 1 41 41 ASP CB C 13 40.182 0.01 . . . . . . A 41 ASP CB . 30293 1 521 . 1 1 42 42 LYS H H 1 8.006 0.00 . . . . . . A 42 LYS H . 30293 1 522 . 1 1 42 42 LYS HA H 1 4.389 0.00 . . . . . . A 42 LYS HA . 30293 1 523 . 1 1 42 42 LYS HB2 H 1 1.853 0.01 . . . . . . A 42 LYS HB2 . 30293 1 524 . 1 1 42 42 LYS HB3 H 1 1.802 0.01 . . . . . . A 42 LYS HB3 . 30293 1 525 . 1 1 42 42 LYS HG2 H 1 1.431 0.00 . . . . . . A 42 LYS HG2 . 30293 1 526 . 1 1 42 42 LYS HG3 H 1 1.301 0.00 . . . . . . A 42 LYS HG3 . 30293 1 527 . 1 1 42 42 LYS HD2 H 1 1.604 0.00 . . . . . . A 42 LYS HD2 . 30293 1 528 . 1 1 42 42 LYS HD3 H 1 1.604 0.00 . . . . . . A 42 LYS HD3 . 30293 1 529 . 1 1 42 42 LYS HE2 H 1 2.845 0.01 . . . . . . A 42 LYS HE2 . 30293 1 530 . 1 1 42 42 LYS HE3 H 1 2.845 0.01 . . . . . . A 42 LYS HE3 . 30293 1 531 . 1 1 42 42 LYS C C 13 176.565 0.00 . . . . . . A 42 LYS C . 30293 1 532 . 1 1 42 42 LYS CA C 13 55.418 0.02 . . . . . . A 42 LYS CA . 30293 1 533 . 1 1 42 42 LYS CB C 13 33.493 0.04 . . . . . . A 42 LYS CB . 30293 1 534 . 1 1 42 42 LYS CG C 13 24.468 0.03 . . . . . . A 42 LYS CG . 30293 1 535 . 1 1 42 42 LYS CD C 13 28.247 0.05 . . . . . . A 42 LYS CD . 30293 1 536 . 1 1 42 42 LYS CE C 13 42.202 0.02 . . . . . . A 42 LYS CE . 30293 1 537 . 1 1 42 42 LYS N N 15 117.926 0.01 . . . . . . A 42 LYS N . 30293 1 538 . 1 1 43 43 ASN H H 1 8.090 0.00 . . . . . . A 43 ASN H . 30293 1 539 . 1 1 43 43 ASN HA H 1 5.015 0.00 . . . . . . A 43 ASN HA . 30293 1 540 . 1 1 43 43 ASN HB2 H 1 2.856 0.00 . . . . . . A 43 ASN HB2 . 30293 1 541 . 1 1 43 43 ASN HB3 H 1 2.633 0.00 . . . . . . A 43 ASN HB3 . 30293 1 542 . 1 1 43 43 ASN HD21 H 1 7.851 0.00 . . . . . . A 43 ASN HD21 . 30293 1 543 . 1 1 43 43 ASN HD22 H 1 7.366 0.00 . . . . . . A 43 ASN HD22 . 30293 1 544 . 1 1 43 43 ASN CA C 13 50.174 0.02 . . . . . . A 43 ASN CA . 30293 1 545 . 1 1 43 43 ASN CB C 13 39.742 0.05 . . . . . . A 43 ASN CB . 30293 1 546 . 1 1 43 43 ASN N N 15 116.915 0.01 . . . . . . A 43 ASN N . 30293 1 547 . 1 1 43 43 ASN ND2 N 15 113.293 0.00 . . . . . . A 43 ASN ND2 . 30293 1 548 . 1 1 44 44 PRO HA H 1 4.664 0.00 . . . . . . A 44 PRO HA . 30293 1 549 . 1 1 44 44 PRO HB2 H 1 2.227 0.00 . . . . . . A 44 PRO HB2 . 30293 1 550 . 1 1 44 44 PRO HB3 H 1 2.227 0.00 . . . . . . A 44 PRO HB3 . 30293 1 551 . 1 1 44 44 PRO HG2 H 1 2.005 0.00 . . . . . . A 44 PRO HG2 . 30293 1 552 . 1 1 44 44 PRO HG3 H 1 1.872 0.00 . . . . . . A 44 PRO HG3 . 30293 1 553 . 1 1 44 44 PRO HD2 H 1 3.830 0.00 . . . . . . A 44 PRO HD2 . 30293 1 554 . 1 1 44 44 PRO HD3 H 1 3.687 0.15 . . . . . . A 44 PRO HD3 . 30293 1 555 . 1 1 44 44 PRO C C 13 176.807 0.00 . . . . . . A 44 PRO C . 30293 1 556 . 1 1 44 44 PRO CA C 13 63.523 0.06 . . . . . . A 44 PRO CA . 30293 1 557 . 1 1 44 44 PRO CB C 13 32.236 0.03 . . . . . . A 44 PRO CB . 30293 1 558 . 1 1 44 44 PRO CG C 13 26.119 0.05 . . . . . . A 44 PRO CG . 30293 1 559 . 1 1 44 44 PRO CD C 13 50.536 0.03 . . . . . . A 44 PRO CD . 30293 1 560 . 1 1 45 45 SER H H 1 8.055 0.00 . . . . . . A 45 SER H . 30293 1 561 . 1 1 45 45 SER HA H 1 4.422 0.00 . . . . . . A 45 SER HA . 30293 1 562 . 1 1 45 45 SER HB2 H 1 4.420 0.00 . . . . . . A 45 SER HB2 . 30293 1 563 . 1 1 45 45 SER HB3 H 1 4.135 0.00 . . . . . . A 45 SER HB3 . 30293 1 564 . 1 1 45 45 SER C C 13 175.917 0.00 . . . . . . A 45 SER C . 30293 1 565 . 1 1 45 45 SER CA C 13 58.761 0.07 . . . . . . A 45 SER CA . 30293 1 566 . 1 1 45 45 SER CB C 13 65.326 0.07 . . . . . . A 45 SER CB . 30293 1 567 . 1 1 45 45 SER N N 15 117.222 0.01 . . . . . . A 45 SER N . 30293 1 568 . 1 1 46 46 GLU H H 1 9.325 0.00 . . . . . . A 46 GLU H . 30293 1 569 . 1 1 46 46 GLU HA H 1 4.139 0.00 . . . . . . A 46 GLU HA . 30293 1 570 . 1 1 46 46 GLU HB2 H 1 2.061 0.00 . . . . . . A 46 GLU HB2 . 30293 1 571 . 1 1 46 46 GLU HB3 H 1 2.061 0.00 . . . . . . A 46 GLU HB3 . 30293 1 572 . 1 1 46 46 GLU HG2 H 1 2.421 0.00 . . . . . . A 46 GLU HG2 . 30293 1 573 . 1 1 46 46 GLU HG3 H 1 2.341 0.00 . . . . . . A 46 GLU HG3 . 30293 1 574 . 1 1 46 46 GLU C C 13 179.207 0.00 . . . . . . A 46 GLU C . 30293 1 575 . 1 1 46 46 GLU CA C 13 59.580 0.04 . . . . . . A 46 GLU CA . 30293 1 576 . 1 1 46 46 GLU CB C 13 29.297 0.05 . . . . . . A 46 GLU CB . 30293 1 577 . 1 1 46 46 GLU CG C 13 36.712 0.04 . . . . . . A 46 GLU CG . 30293 1 578 . 1 1 46 46 GLU N N 15 124.744 0.02 . . . . . . A 46 GLU N . 30293 1 579 . 1 1 47 47 GLU H H 1 8.811 0.00 . . . . . . A 47 GLU H . 30293 1 580 . 1 1 47 47 GLU HA H 1 4.079 0.00 . . . . . . A 47 GLU HA . 30293 1 581 . 1 1 47 47 GLU HB2 H 1 2.094 0.01 . . . . . . A 47 GLU HB2 . 30293 1 582 . 1 1 47 47 GLU HB3 H 1 1.924 0.01 . . . . . . A 47 GLU HB3 . 30293 1 583 . 1 1 47 47 GLU HG2 H 1 2.246 0.00 . . . . . . A 47 GLU HG2 . 30293 1 584 . 1 1 47 47 GLU HG3 H 1 2.246 0.00 . . . . . . A 47 GLU HG3 . 30293 1 585 . 1 1 47 47 GLU C C 13 178.493 0.00 . . . . . . A 47 GLU C . 30293 1 586 . 1 1 47 47 GLU CA C 13 59.450 0.03 . . . . . . A 47 GLU CA . 30293 1 587 . 1 1 47 47 GLU CB C 13 29.242 0.05 . . . . . . A 47 GLU CB . 30293 1 588 . 1 1 47 47 GLU CG C 13 36.459 0.02 . . . . . . A 47 GLU CG . 30293 1 589 . 1 1 47 47 GLU N N 15 120.057 0.02 . . . . . . A 47 GLU N . 30293 1 590 . 1 1 48 48 ALA H H 1 7.909 0.00 . . . . . . A 48 ALA H . 30293 1 591 . 1 1 48 48 ALA HA H 1 3.882 0.00 . . . . . . A 48 ALA HA . 30293 1 592 . 1 1 48 48 ALA HB1 H 1 1.558 0.00 . . . . . . A 48 ALA HB1 . 30293 1 593 . 1 1 48 48 ALA HB2 H 1 1.558 0.00 . . . . . . A 48 ALA HB2 . 30293 1 594 . 1 1 48 48 ALA HB3 H 1 1.558 0.00 . . . . . . A 48 ALA HB3 . 30293 1 595 . 1 1 48 48 ALA C C 13 178.430 0.00 . . . . . . A 48 ALA C . 30293 1 596 . 1 1 48 48 ALA CA C 13 55.141 0.04 . . . . . . A 48 ALA CA . 30293 1 597 . 1 1 48 48 ALA CB C 13 17.847 0.03 . . . . . . A 48 ALA CB . 30293 1 598 . 1 1 48 48 ALA N N 15 122.253 0.01 . . . . . . A 48 ALA N . 30293 1 599 . 1 1 49 49 ALA H H 1 7.660 0.00 . . . . . . A 49 ALA H . 30293 1 600 . 1 1 49 49 ALA HA H 1 4.453 0.01 . . . . . . A 49 ALA HA . 30293 1 601 . 1 1 49 49 ALA HB1 H 1 1.490 0.00 . . . . . . A 49 ALA HB1 . 30293 1 602 . 1 1 49 49 ALA HB2 H 1 1.490 0.00 . . . . . . A 49 ALA HB2 . 30293 1 603 . 1 1 49 49 ALA HB3 H 1 1.490 0.00 . . . . . . A 49 ALA HB3 . 30293 1 604 . 1 1 49 49 ALA C C 13 181.557 0.00 . . . . . . A 49 ALA C . 30293 1 605 . 1 1 49 49 ALA CA C 13 55.079 0.09 . . . . . . A 49 ALA CA . 30293 1 606 . 1 1 49 49 ALA CB C 13 17.511 0.04 . . . . . . A 49 ALA CB . 30293 1 607 . 1 1 49 49 ALA N N 15 120.387 0.01 . . . . . . A 49 ALA N . 30293 1 608 . 1 1 50 50 GLU H H 1 7.984 0.00 . . . . . . A 50 GLU H . 30293 1 609 . 1 1 50 50 GLU HA H 1 4.067 0.00 . . . . . . A 50 GLU HA . 30293 1 610 . 1 1 50 50 GLU HB2 H 1 2.106 0.00 . . . . . . A 50 GLU HB2 . 30293 1 611 . 1 1 50 50 GLU HB3 H 1 2.106 0.00 . . . . . . A 50 GLU HB3 . 30293 1 612 . 1 1 50 50 GLU HG2 H 1 2.348 0.00 . . . . . . A 50 GLU HG2 . 30293 1 613 . 1 1 50 50 GLU HG3 H 1 2.259 0.00 . . . . . . A 50 GLU HG3 . 30293 1 614 . 1 1 50 50 GLU C C 13 179.424 0.00 . . . . . . A 50 GLU C . 30293 1 615 . 1 1 50 50 GLU CA C 13 59.234 0.04 . . . . . . A 50 GLU CA . 30293 1 616 . 1 1 50 50 GLU CB C 13 29.342 0.04 . . . . . . A 50 GLU CB . 30293 1 617 . 1 1 50 50 GLU CG C 13 35.926 0.05 . . . . . . A 50 GLU CG . 30293 1 618 . 1 1 50 50 GLU N N 15 120.066 0.06 . . . . . . A 50 GLU N . 30293 1 619 . 1 1 51 51 LYS H H 1 7.932 0.00 . . . . . . A 51 LYS H . 30293 1 620 . 1 1 51 51 LYS HA H 1 3.915 0.01 . . . . . . A 51 LYS HA . 30293 1 621 . 1 1 51 51 LYS HB2 H 1 1.161 0.01 . . . . . . A 51 LYS HB2 . 30293 1 622 . 1 1 51 51 LYS HB3 H 1 0.854 0.01 . . . . . . A 51 LYS HB3 . 30293 1 623 . 1 1 51 51 LYS HG2 H 1 1.243 0.00 . . . . . . A 51 LYS HG2 . 30293 1 624 . 1 1 51 51 LYS HG3 H 1 1.243 0.00 . . . . . . A 51 LYS HG3 . 30293 1 625 . 1 1 51 51 LYS HD2 H 1 1.460 0.01 . . . . . . A 51 LYS HD2 . 30293 1 626 . 1 1 51 51 LYS HD3 H 1 1.305 0.01 . . . . . . A 51 LYS HD3 . 30293 1 627 . 1 1 51 51 LYS HE2 H 1 2.895 0.01 . . . . . . A 51 LYS HE2 . 30293 1 628 . 1 1 51 51 LYS HE3 H 1 2.792 0.01 . . . . . . A 51 LYS HE3 . 30293 1 629 . 1 1 51 51 LYS C C 13 180.102 0.00 . . . . . . A 51 LYS C . 30293 1 630 . 1 1 51 51 LYS CA C 13 58.472 0.04 . . . . . . A 51 LYS CA . 30293 1 631 . 1 1 51 51 LYS CB C 13 30.396 0.03 . . . . . . A 51 LYS CB . 30293 1 632 . 1 1 51 51 LYS CG C 13 25.096 0.06 . . . . . . A 51 LYS CG . 30293 1 633 . 1 1 51 51 LYS CD C 13 28.407 0.17 . . . . . . A 51 LYS CD . 30293 1 634 . 1 1 51 51 LYS CE C 13 42.196 0.02 . . . . . . A 51 LYS CE . 30293 1 635 . 1 1 51 51 LYS N N 15 120.184 0.01 . . . . . . A 51 LYS N . 30293 1 636 . 1 1 52 52 PHE H H 1 9.147 0.01 . . . . . . A 52 PHE H . 30293 1 637 . 1 1 52 52 PHE HA H 1 4.133 0.00 . . . . . . A 52 PHE HA . 30293 1 638 . 1 1 52 52 PHE HB2 H 1 3.354 0.00 . . . . . . A 52 PHE HB2 . 30293 1 639 . 1 1 52 52 PHE HB3 H 1 3.056 0.00 . . . . . . A 52 PHE HB3 . 30293 1 640 . 1 1 52 52 PHE HD1 H 1 7.136 0.00 . . . . . . A 52 PHE HD1 . 30293 1 641 . 1 1 52 52 PHE HD2 H 1 7.136 0.00 . . . . . . A 52 PHE HD2 . 30293 1 642 . 1 1 52 52 PHE HE1 H 1 7.218 0.00 . . . . . . A 52 PHE HE1 . 30293 1 643 . 1 1 52 52 PHE HE2 H 1 7.218 0.00 . . . . . . A 52 PHE HE2 . 30293 1 644 . 1 1 52 52 PHE HZ H 1 7.303 0.00 . . . . . . A 52 PHE HZ . 30293 1 645 . 1 1 52 52 PHE C C 13 178.642 0.00 . . . . . . A 52 PHE C . 30293 1 646 . 1 1 52 52 PHE CA C 13 61.434 0.03 . . . . . . A 52 PHE CA . 30293 1 647 . 1 1 52 52 PHE CB C 13 38.868 0.06 . . . . . . A 52 PHE CB . 30293 1 648 . 1 1 52 52 PHE CD1 C 13 131.083 0.00 . . . . . . A 52 PHE CD1 . 30293 1 649 . 1 1 52 52 PHE CD2 C 13 131.083 0.00 . . . . . . A 52 PHE CD2 . 30293 1 650 . 1 1 52 52 PHE CE1 C 13 131.339 0.00 . . . . . . A 52 PHE CE1 . 30293 1 651 . 1 1 52 52 PHE CE2 C 13 131.339 0.00 . . . . . . A 52 PHE CE2 . 30293 1 652 . 1 1 52 52 PHE CZ C 13 130.273 0.00 . . . . . . A 52 PHE CZ . 30293 1 653 . 1 1 52 52 PHE N N 15 121.705 0.08 . . . . . . A 52 PHE N . 30293 1 654 . 1 1 53 53 LYS H H 1 8.128 0.00 . . . . . . A 53 LYS H . 30293 1 655 . 1 1 53 53 LYS HA H 1 3.947 0.00 . . . . . . A 53 LYS HA . 30293 1 656 . 1 1 53 53 LYS HB2 H 1 1.972 0.00 . . . . . . A 53 LYS HB2 . 30293 1 657 . 1 1 53 53 LYS HB3 H 1 1.972 0.00 . . . . . . A 53 LYS HB3 . 30293 1 658 . 1 1 53 53 LYS HG2 H 1 1.608 0.00 . . . . . . A 53 LYS HG2 . 30293 1 659 . 1 1 53 53 LYS HG3 H 1 1.400 0.00 . . . . . . A 53 LYS HG3 . 30293 1 660 . 1 1 53 53 LYS HD2 H 1 1.684 0.00 . . . . . . A 53 LYS HD2 . 30293 1 661 . 1 1 53 53 LYS HD3 H 1 1.684 0.00 . . . . . . A 53 LYS HD3 . 30293 1 662 . 1 1 53 53 LYS HE2 H 1 2.935 0.00 . . . . . . A 53 LYS HE2 . 30293 1 663 . 1 1 53 53 LYS HE3 H 1 2.935 0.00 . . . . . . A 53 LYS HE3 . 30293 1 664 . 1 1 53 53 LYS C C 13 179.434 0.00 . . . . . . A 53 LYS C . 30293 1 665 . 1 1 53 53 LYS CA C 13 59.931 0.06 . . . . . . A 53 LYS CA . 30293 1 666 . 1 1 53 53 LYS CB C 13 32.381 0.05 . . . . . . A 53 LYS CB . 30293 1 667 . 1 1 53 53 LYS CG C 13 25.012 0.03 . . . . . . A 53 LYS CG . 30293 1 668 . 1 1 53 53 LYS CD C 13 29.670 0.00 . . . . . . A 53 LYS CD . 30293 1 669 . 1 1 53 53 LYS CE C 13 42.031 0.00 . . . . . . A 53 LYS CE . 30293 1 670 . 1 1 53 53 LYS N N 15 122.270 0.01 . . . . . . A 53 LYS N . 30293 1 671 . 1 1 54 54 GLU H H 1 8.023 0.00 . . . . . . A 54 GLU H . 30293 1 672 . 1 1 54 54 GLU HA H 1 4.106 0.00 . . . . . . A 54 GLU HA . 30293 1 673 . 1 1 54 54 GLU HB2 H 1 2.106 0.00 . . . . . . A 54 GLU HB2 . 30293 1 674 . 1 1 54 54 GLU HB3 H 1 2.106 0.00 . . . . . . A 54 GLU HB3 . 30293 1 675 . 1 1 54 54 GLU HG2 H 1 2.401 0.01 . . . . . . A 54 GLU HG2 . 30293 1 676 . 1 1 54 54 GLU HG3 H 1 2.238 0.00 . . . . . . A 54 GLU HG3 . 30293 1 677 . 1 1 54 54 GLU C C 13 178.807 0.00 . . . . . . A 54 GLU C . 30293 1 678 . 1 1 54 54 GLU CA C 13 59.234 0.04 . . . . . . A 54 GLU CA . 30293 1 679 . 1 1 54 54 GLU CB C 13 30.094 0.07 . . . . . . A 54 GLU CB . 30293 1 680 . 1 1 54 54 GLU CG C 13 36.833 0.00 . . . . . . A 54 GLU CG . 30293 1 681 . 1 1 54 54 GLU N N 15 120.237 0.03 . . . . . . A 54 GLU N . 30293 1 682 . 1 1 55 55 ALA H H 1 8.251 0.00 . . . . . . A 55 ALA H . 30293 1 683 . 1 1 55 55 ALA HA H 1 4.019 0.01 . . . . . . A 55 ALA HA . 30293 1 684 . 1 1 55 55 ALA HB1 H 1 1.559 0.00 . . . . . . A 55 ALA HB1 . 30293 1 685 . 1 1 55 55 ALA HB2 H 1 1.559 0.00 . . . . . . A 55 ALA HB2 . 30293 1 686 . 1 1 55 55 ALA HB3 H 1 1.559 0.00 . . . . . . A 55 ALA HB3 . 30293 1 687 . 1 1 55 55 ALA C C 13 179.147 0.00 . . . . . . A 55 ALA C . 30293 1 688 . 1 1 55 55 ALA CA C 13 55.120 0.04 . . . . . . A 55 ALA CA . 30293 1 689 . 1 1 55 55 ALA CB C 13 17.958 0.02 . . . . . . A 55 ALA CB . 30293 1 690 . 1 1 55 55 ALA N N 15 121.879 0.02 . . . . . . A 55 ALA N . 30293 1 691 . 1 1 56 56 SER H H 1 8.329 0.00 . . . . . . A 56 SER H . 30293 1 692 . 1 1 56 56 SER HA H 1 3.985 0.00 . . . . . . A 56 SER HA . 30293 1 693 . 1 1 56 56 SER HB2 H 1 3.844 0.01 . . . . . . A 56 SER HB2 . 30293 1 694 . 1 1 56 56 SER HB3 H 1 3.754 0.02 . . . . . . A 56 SER HB3 . 30293 1 695 . 1 1 56 56 SER C C 13 175.390 0.00 . . . . . . A 56 SER C . 30293 1 696 . 1 1 56 56 SER CA C 13 61.976 0.06 . . . . . . A 56 SER CA . 30293 1 697 . 1 1 56 56 SER CB C 13 62.634 0.26 . . . . . . A 56 SER CB . 30293 1 698 . 1 1 56 56 SER N N 15 114.004 0.03 . . . . . . A 56 SER N . 30293 1 699 . 1 1 57 57 ALA H H 1 7.871 0.00 . . . . . . A 57 ALA H . 30293 1 700 . 1 1 57 57 ALA HA H 1 3.907 0.00 . . . . . . A 57 ALA HA . 30293 1 701 . 1 1 57 57 ALA HB1 H 1 1.325 0.00 . . . . . . A 57 ALA HB1 . 30293 1 702 . 1 1 57 57 ALA HB2 H 1 1.325 0.00 . . . . . . A 57 ALA HB2 . 30293 1 703 . 1 1 57 57 ALA HB3 H 1 1.325 0.00 . . . . . . A 57 ALA HB3 . 30293 1 704 . 1 1 57 57 ALA C C 13 179.478 0.00 . . . . . . A 57 ALA C . 30293 1 705 . 1 1 57 57 ALA CA C 13 54.810 0.04 . . . . . . A 57 ALA CA . 30293 1 706 . 1 1 57 57 ALA CB C 13 17.735 0.03 . . . . . . A 57 ALA CB . 30293 1 707 . 1 1 57 57 ALA N N 15 125.375 0.02 . . . . . . A 57 ALA N . 30293 1 708 . 1 1 58 58 ALA H H 1 7.400 0.00 . . . . . . A 58 ALA H . 30293 1 709 . 1 1 58 58 ALA HA H 1 2.636 0.00 . . . . . . A 58 ALA HA . 30293 1 710 . 1 1 58 58 ALA HB1 H 1 1.263 0.00 . . . . . . A 58 ALA HB1 . 30293 1 711 . 1 1 58 58 ALA HB2 H 1 1.263 0.00 . . . . . . A 58 ALA HB2 . 30293 1 712 . 1 1 58 58 ALA HB3 H 1 1.263 0.00 . . . . . . A 58 ALA HB3 . 30293 1 713 . 1 1 58 58 ALA C C 13 178.710 0.00 . . . . . . A 58 ALA C . 30293 1 714 . 1 1 58 58 ALA CA C 13 54.016 0.06 . . . . . . A 58 ALA CA . 30293 1 715 . 1 1 58 58 ALA CB C 13 18.485 0.03 . . . . . . A 58 ALA CB . 30293 1 716 . 1 1 58 58 ALA N N 15 119.311 0.01 . . . . . . A 58 ALA N . 30293 1 717 . 1 1 59 59 TYR H H 1 8.266 0.00 . . . . . . A 59 TYR H . 30293 1 718 . 1 1 59 59 TYR HA H 1 3.534 0.00 . . . . . . A 59 TYR HA . 30293 1 719 . 1 1 59 59 TYR HB2 H 1 2.483 0.00 . . . . . . A 59 TYR HB2 . 30293 1 720 . 1 1 59 59 TYR HB3 H 1 2.248 0.00 . . . . . . A 59 TYR HB3 . 30293 1 721 . 1 1 59 59 TYR HD1 H 1 6.400 0.00 . . . . . . A 59 TYR HD1 . 30293 1 722 . 1 1 59 59 TYR HD2 H 1 6.400 0.00 . . . . . . A 59 TYR HD2 . 30293 1 723 . 1 1 59 59 TYR HE1 H 1 6.536 0.00 . . . . . . A 59 TYR HE1 . 30293 1 724 . 1 1 59 59 TYR HE2 H 1 6.536 0.00 . . . . . . A 59 TYR HE2 . 30293 1 725 . 1 1 59 59 TYR C C 13 177.422 0.00 . . . . . . A 59 TYR C . 30293 1 726 . 1 1 59 59 TYR CA C 13 61.344 0.03 . . . . . . A 59 TYR CA . 30293 1 727 . 1 1 59 59 TYR CB C 13 39.041 0.05 . . . . . . A 59 TYR CB . 30293 1 728 . 1 1 59 59 TYR CD1 C 13 132.234 0.00 . . . . . . A 59 TYR CD1 . 30293 1 729 . 1 1 59 59 TYR CD2 C 13 132.234 0.00 . . . . . . A 59 TYR CD2 . 30293 1 730 . 1 1 59 59 TYR CE1 C 13 118.155 0.00 . . . . . . A 59 TYR CE1 . 30293 1 731 . 1 1 59 59 TYR CE2 C 13 118.155 0.00 . . . . . . A 59 TYR CE2 . 30293 1 732 . 1 1 59 59 TYR N N 15 117.252 0.01 . . . . . . A 59 TYR N . 30293 1 733 . 1 1 60 60 GLU H H 1 8.008 0.00 . . . . . . A 60 GLU H . 30293 1 734 . 1 1 60 60 GLU HA H 1 3.343 0.00 . . . . . . A 60 GLU HA . 30293 1 735 . 1 1 60 60 GLU HB2 H 1 1.867 0.00 . . . . . . A 60 GLU HB2 . 30293 1 736 . 1 1 60 60 GLU HB3 H 1 1.867 0.00 . . . . . . A 60 GLU HB3 . 30293 1 737 . 1 1 60 60 GLU HG2 H 1 2.224 0.00 . . . . . . A 60 GLU HG2 . 30293 1 738 . 1 1 60 60 GLU HG3 H 1 2.101 0.00 . . . . . . A 60 GLU HG3 . 30293 1 739 . 1 1 60 60 GLU C C 13 176.835 0.00 . . . . . . A 60 GLU C . 30293 1 740 . 1 1 60 60 GLU CA C 13 59.327 0.04 . . . . . . A 60 GLU CA . 30293 1 741 . 1 1 60 60 GLU CB C 13 29.113 0.04 . . . . . . A 60 GLU CB . 30293 1 742 . 1 1 60 60 GLU CG C 13 36.115 0.05 . . . . . . A 60 GLU CG . 30293 1 743 . 1 1 60 60 GLU N N 15 120.748 0.02 . . . . . . A 60 GLU N . 30293 1 744 . 1 1 61 61 ILE H H 1 6.352 0.00 . . . . . . A 61 ILE H . 30293 1 745 . 1 1 61 61 ILE HA H 1 3.721 0.00 . . . . . . A 61 ILE HA . 30293 1 746 . 1 1 61 61 ILE HB H 1 1.423 0.00 . . . . . . A 61 ILE HB . 30293 1 747 . 1 1 61 61 ILE HG12 H 1 1.289 0.00 . . . . . . A 61 ILE HG12 . 30293 1 748 . 1 1 61 61 ILE HG13 H 1 1.289 0.00 . . . . . . A 61 ILE HG13 . 30293 1 749 . 1 1 61 61 ILE HG21 H 1 0.554 0.00 . . . . . . A 61 ILE HG21 . 30293 1 750 . 1 1 61 61 ILE HG22 H 1 0.554 0.00 . . . . . . A 61 ILE HG22 . 30293 1 751 . 1 1 61 61 ILE HG23 H 1 0.554 0.00 . . . . . . A 61 ILE HG23 . 30293 1 752 . 1 1 61 61 ILE HD11 H 1 0.635 0.00 . . . . . . A 61 ILE HD11 . 30293 1 753 . 1 1 61 61 ILE HD12 H 1 0.635 0.00 . . . . . . A 61 ILE HD12 . 30293 1 754 . 1 1 61 61 ILE HD13 H 1 0.635 0.00 . . . . . . A 61 ILE HD13 . 30293 1 755 . 1 1 61 61 ILE C C 13 176.009 0.00 . . . . . . A 61 ILE C . 30293 1 756 . 1 1 61 61 ILE CA C 13 61.306 0.04 . . . . . . A 61 ILE CA . 30293 1 757 . 1 1 61 61 ILE CB C 13 36.608 0.03 . . . . . . A 61 ILE CB . 30293 1 758 . 1 1 61 61 ILE CG1 C 13 27.694 0.05 . . . . . . A 61 ILE CG1 . 30293 1 759 . 1 1 61 61 ILE CG2 C 13 17.238 0.04 . . . . . . A 61 ILE CG2 . 30293 1 760 . 1 1 61 61 ILE CD1 C 13 10.550 0.04 . . . . . . A 61 ILE CD1 . 30293 1 761 . 1 1 61 61 ILE N N 15 115.311 0.01 . . . . . . A 61 ILE N . 30293 1 762 . 1 1 62 62 LEU H H 1 7.740 0.00 . . . . . . A 62 LEU H . 30293 1 763 . 1 1 62 62 LEU HA H 1 3.647 0.00 . . . . . . A 62 LEU HA . 30293 1 764 . 1 1 62 62 LEU HB2 H 1 1.315 0.00 . . . . . . A 62 LEU HB2 . 30293 1 765 . 1 1 62 62 LEU HB3 H 1 1.181 0.02 . . . . . . A 62 LEU HB3 . 30293 1 766 . 1 1 62 62 LEU HG H 1 1.419 0.01 . . . . . . A 62 LEU HG . 30293 1 767 . 1 1 62 62 LEU HD11 H 1 0.118 0.00 . . . . . . A 62 LEU HD11 . 30293 1 768 . 1 1 62 62 LEU HD12 H 1 0.118 0.00 . . . . . . A 62 LEU HD12 . 30293 1 769 . 1 1 62 62 LEU HD13 H 1 0.118 0.00 . . . . . . A 62 LEU HD13 . 30293 1 770 . 1 1 62 62 LEU HD21 H 1 0.319 0.01 . . . . . . A 62 LEU HD21 . 30293 1 771 . 1 1 62 62 LEU HD22 H 1 0.319 0.01 . . . . . . A 62 LEU HD22 . 30293 1 772 . 1 1 62 62 LEU HD23 H 1 0.319 0.01 . . . . . . A 62 LEU HD23 . 30293 1 773 . 1 1 62 62 LEU C C 13 177.278 0.00 . . . . . . A 62 LEU C . 30293 1 774 . 1 1 62 62 LEU CA C 13 56.754 0.07 . . . . . . A 62 LEU CA . 30293 1 775 . 1 1 62 62 LEU CB C 13 42.196 0.06 . . . . . . A 62 LEU CB . 30293 1 776 . 1 1 62 62 LEU CG C 13 25.608 0.15 . . . . . . A 62 LEU CG . 30293 1 777 . 1 1 62 62 LEU CD1 C 13 25.325 0.13 . . . . . . A 62 LEU CD1 . 30293 1 778 . 1 1 62 62 LEU CD2 C 13 22.600 0.04 . . . . . . A 62 LEU CD2 . 30293 1 779 . 1 1 62 62 LEU N N 15 112.005 0.03 . . . . . . A 62 LEU N . 30293 1 780 . 1 1 63 63 SER H H 1 7.786 0.00 . . . . . . A 63 SER H . 30293 1 781 . 1 1 63 63 SER HA H 1 3.938 0.00 . . . . . . A 63 SER HA . 30293 1 782 . 1 1 63 63 SER HB2 H 1 3.526 0.00 . . . . . . A 63 SER HB2 . 30293 1 783 . 1 1 63 63 SER HB3 H 1 2.706 0.00 . . . . . . A 63 SER HB3 . 30293 1 784 . 1 1 63 63 SER C C 13 173.056 0.00 . . . . . . A 63 SER C . 30293 1 785 . 1 1 63 63 SER CA C 13 58.892 0.04 . . . . . . A 63 SER CA . 30293 1 786 . 1 1 63 63 SER CB C 13 63.652 0.06 . . . . . . A 63 SER CB . 30293 1 787 . 1 1 63 63 SER N N 15 108.547 0.02 . . . . . . A 63 SER N . 30293 1 788 . 1 1 64 64 ASP H H 1 7.018 0.00 . . . . . . A 64 ASP H . 30293 1 789 . 1 1 64 64 ASP HA H 1 5.157 0.00 . . . . . . A 64 ASP HA . 30293 1 790 . 1 1 64 64 ASP HB2 H 1 2.893 0.00 . . . . . . A 64 ASP HB2 . 30293 1 791 . 1 1 64 64 ASP HB3 H 1 2.462 0.00 . . . . . . A 64 ASP HB3 . 30293 1 792 . 1 1 64 64 ASP CA C 13 50.117 0.03 . . . . . . A 64 ASP CA . 30293 1 793 . 1 1 64 64 ASP CB C 13 43.103 0.06 . . . . . . A 64 ASP CB . 30293 1 794 . 1 1 64 64 ASP N N 15 125.417 0.01 . . . . . . A 64 ASP N . 30293 1 795 . 1 1 65 65 PRO HA H 1 4.132 0.00 . . . . . . A 65 PRO HA . 30293 1 796 . 1 1 65 65 PRO HB2 H 1 2.393 0.00 . . . . . . A 65 PRO HB2 . 30293 1 797 . 1 1 65 65 PRO HB3 H 1 2.018 0.01 . . . . . . A 65 PRO HB3 . 30293 1 798 . 1 1 65 65 PRO HG2 H 1 2.146 0.00 . . . . . . A 65 PRO HG2 . 30293 1 799 . 1 1 65 65 PRO HG3 H 1 2.056 0.00 . . . . . . A 65 PRO HG3 . 30293 1 800 . 1 1 65 65 PRO HD2 H 1 4.013 0.00 . . . . . . A 65 PRO HD2 . 30293 1 801 . 1 1 65 65 PRO HD3 H 1 3.818 0.01 . . . . . . A 65 PRO HD3 . 30293 1 802 . 1 1 65 65 PRO C C 13 179.003 0.00 . . . . . . A 65 PRO C . 30293 1 803 . 1 1 65 65 PRO CA C 13 65.583 0.06 . . . . . . A 65 PRO CA . 30293 1 804 . 1 1 65 65 PRO CB C 13 32.410 0.05 . . . . . . A 65 PRO CB . 30293 1 805 . 1 1 65 65 PRO CG C 13 27.613 0.05 . . . . . . A 65 PRO CG . 30293 1 806 . 1 1 65 65 PRO CD C 13 50.745 0.06 . . . . . . A 65 PRO CD . 30293 1 807 . 1 1 66 66 GLU H H 1 7.869 0.00 . . . . . . A 66 GLU H . 30293 1 808 . 1 1 66 66 GLU HA H 1 4.203 0.00 . . . . . . A 66 GLU HA . 30293 1 809 . 1 1 66 66 GLU HB2 H 1 2.090 0.01 . . . . . . A 66 GLU HB2 . 30293 1 810 . 1 1 66 66 GLU HB3 H 1 2.090 0.01 . . . . . . A 66 GLU HB3 . 30293 1 811 . 1 1 66 66 GLU HG2 H 1 2.361 0.00 . . . . . . A 66 GLU HG2 . 30293 1 812 . 1 1 66 66 GLU HG3 H 1 2.222 0.00 . . . . . . A 66 GLU HG3 . 30293 1 813 . 1 1 66 66 GLU C C 13 179.630 0.00 . . . . . . A 66 GLU C . 30293 1 814 . 1 1 66 66 GLU CA C 13 59.225 0.04 . . . . . . A 66 GLU CA . 30293 1 815 . 1 1 66 66 GLU CB C 13 29.852 0.12 . . . . . . A 66 GLU CB . 30293 1 816 . 1 1 66 66 GLU CG C 13 36.937 0.06 . . . . . . A 66 GLU CG . 30293 1 817 . 1 1 66 66 GLU N N 15 116.191 0.02 . . . . . . A 66 GLU N . 30293 1 818 . 1 1 67 67 LYS H H 1 7.886 0.00 . . . . . . A 67 LYS H . 30293 1 819 . 1 1 67 67 LYS HA H 1 4.067 0.01 . . . . . . A 67 LYS HA . 30293 1 820 . 1 1 67 67 LYS HB2 H 1 2.382 0.00 . . . . . . A 67 LYS HB2 . 30293 1 821 . 1 1 67 67 LYS HB3 H 1 1.973 0.01 . . . . . . A 67 LYS HB3 . 30293 1 822 . 1 1 67 67 LYS HG2 H 1 1.532 0.01 . . . . . . A 67 LYS HG2 . 30293 1 823 . 1 1 67 67 LYS HG3 H 1 1.339 0.00 . . . . . . A 67 LYS HG3 . 30293 1 824 . 1 1 67 67 LYS HD2 H 1 1.655 0.04 . . . . . . A 67 LYS HD2 . 30293 1 825 . 1 1 67 67 LYS HD3 H 1 1.655 0.04 . . . . . . A 67 LYS HD3 . 30293 1 826 . 1 1 67 67 LYS HE2 H 1 2.904 0.00 . . . . . . A 67 LYS HE2 . 30293 1 827 . 1 1 67 67 LYS HE3 H 1 2.904 0.00 . . . . . . A 67 LYS HE3 . 30293 1 828 . 1 1 67 67 LYS C C 13 179.655 0.00 . . . . . . A 67 LYS C . 30293 1 829 . 1 1 67 67 LYS CA C 13 59.521 0.06 . . . . . . A 67 LYS CA . 30293 1 830 . 1 1 67 67 LYS CB C 13 32.617 0.03 . . . . . . A 67 LYS CB . 30293 1 831 . 1 1 67 67 LYS CG C 13 26.441 0.01 . . . . . . A 67 LYS CG . 30293 1 832 . 1 1 67 67 LYS CD C 13 29.653 0.02 . . . . . . A 67 LYS CD . 30293 1 833 . 1 1 67 67 LYS CE C 13 42.257 0.00 . . . . . . A 67 LYS CE . 30293 1 834 . 1 1 67 67 LYS N N 15 120.337 0.03 . . . . . . A 67 LYS N . 30293 1 835 . 1 1 68 68 ARG H H 1 9.450 0.01 . . . . . . A 68 ARG H . 30293 1 836 . 1 1 68 68 ARG HA H 1 3.735 0.00 . . . . . . A 68 ARG HA . 30293 1 837 . 1 1 68 68 ARG HB2 H 1 2.105 0.01 . . . . . . A 68 ARG HB2 . 30293 1 838 . 1 1 68 68 ARG HB3 H 1 1.794 0.01 . . . . . . A 68 ARG HB3 . 30293 1 839 . 1 1 68 68 ARG HG2 H 1 1.924 0.05 . . . . . . A 68 ARG HG2 . 30293 1 840 . 1 1 68 68 ARG HG3 H 1 1.762 0.01 . . . . . . A 68 ARG HG3 . 30293 1 841 . 1 1 68 68 ARG HD2 H 1 3.428 0.00 . . . . . . A 68 ARG HD2 . 30293 1 842 . 1 1 68 68 ARG HD3 H 1 3.191 0.01 . . . . . . A 68 ARG HD3 . 30293 1 843 . 1 1 68 68 ARG C C 13 177.231 0.00 . . . . . . A 68 ARG C . 30293 1 844 . 1 1 68 68 ARG CA C 13 60.293 0.04 . . . . . . A 68 ARG CA . 30293 1 845 . 1 1 68 68 ARG CB C 13 29.701 0.05 . . . . . . A 68 ARG CB . 30293 1 846 . 1 1 68 68 ARG CG C 13 26.586 0.01 . . . . . . A 68 ARG CG . 30293 1 847 . 1 1 68 68 ARG CD C 13 43.944 0.00 . . . . . . A 68 ARG CD . 30293 1 848 . 1 1 68 68 ARG N N 15 124.183 0.09 . . . . . . A 68 ARG N . 30293 1 849 . 1 1 69 69 ASP H H 1 7.701 0.00 . . . . . . A 69 ASP H . 30293 1 850 . 1 1 69 69 ASP HA H 1 4.463 0.00 . . . . . . A 69 ASP HA . 30293 1 851 . 1 1 69 69 ASP HB2 H 1 2.833 0.01 . . . . . . A 69 ASP HB2 . 30293 1 852 . 1 1 69 69 ASP HB3 H 1 2.710 0.00 . . . . . . A 69 ASP HB3 . 30293 1 853 . 1 1 69 69 ASP C C 13 179.019 0.00 . . . . . . A 69 ASP C . 30293 1 854 . 1 1 69 69 ASP CA C 13 57.615 0.04 . . . . . . A 69 ASP CA . 30293 1 855 . 1 1 69 69 ASP CB C 13 40.861 0.07 . . . . . . A 69 ASP CB . 30293 1 856 . 1 1 69 69 ASP N N 15 117.871 0.03 . . . . . . A 69 ASP N . 30293 1 857 . 1 1 70 70 ILE H H 1 7.407 0.00 . . . . . . A 70 ILE H . 30293 1 858 . 1 1 70 70 ILE HA H 1 3.912 0.00 . . . . . . A 70 ILE HA . 30293 1 859 . 1 1 70 70 ILE HB H 1 2.066 0.00 . . . . . . A 70 ILE HB . 30293 1 860 . 1 1 70 70 ILE HG12 H 1 1.809 0.00 . . . . . . A 70 ILE HG12 . 30293 1 861 . 1 1 70 70 ILE HG13 H 1 1.349 0.00 . . . . . . A 70 ILE HG13 . 30293 1 862 . 1 1 70 70 ILE HG21 H 1 1.089 0.00 . . . . . . A 70 ILE HG21 . 30293 1 863 . 1 1 70 70 ILE HG22 H 1 1.089 0.00 . . . . . . A 70 ILE HG22 . 30293 1 864 . 1 1 70 70 ILE HG23 H 1 1.089 0.00 . . . . . . A 70 ILE HG23 . 30293 1 865 . 1 1 70 70 ILE HD11 H 1 0.908 0.00 . . . . . . A 70 ILE HD11 . 30293 1 866 . 1 1 70 70 ILE HD12 H 1 0.908 0.00 . . . . . . A 70 ILE HD12 . 30293 1 867 . 1 1 70 70 ILE HD13 H 1 0.908 0.00 . . . . . . A 70 ILE HD13 . 30293 1 868 . 1 1 70 70 ILE C C 13 178.408 0.00 . . . . . . A 70 ILE C . 30293 1 869 . 1 1 70 70 ILE CA C 13 64.467 0.03 . . . . . . A 70 ILE CA . 30293 1 870 . 1 1 70 70 ILE CB C 13 38.208 0.05 . . . . . . A 70 ILE CB . 30293 1 871 . 1 1 70 70 ILE CG1 C 13 29.024 0.03 . . . . . . A 70 ILE CG1 . 30293 1 872 . 1 1 70 70 ILE CG2 C 13 17.672 0.04 . . . . . . A 70 ILE CG2 . 30293 1 873 . 1 1 70 70 ILE CD1 C 13 12.585 0.03 . . . . . . A 70 ILE CD1 . 30293 1 874 . 1 1 70 70 ILE N N 15 119.765 0.02 . . . . . . A 70 ILE N . 30293 1 875 . 1 1 71 71 TYR H H 1 8.533 0.00 . . . . . . A 71 TYR H . 30293 1 876 . 1 1 71 71 TYR HA H 1 4.374 0.00 . . . . . . A 71 TYR HA . 30293 1 877 . 1 1 71 71 TYR HB2 H 1 3.124 0.03 . . . . . . A 71 TYR HB2 . 30293 1 878 . 1 1 71 71 TYR HB3 H 1 3.100 0.00 . . . . . . A 71 TYR HB3 . 30293 1 879 . 1 1 71 71 TYR HD1 H 1 7.148 0.00 . . . . . . A 71 TYR HD1 . 30293 1 880 . 1 1 71 71 TYR HD2 H 1 7.148 0.00 . . . . . . A 71 TYR HD2 . 30293 1 881 . 1 1 71 71 TYR HE1 H 1 6.542 0.00 . . . . . . A 71 TYR HE1 . 30293 1 882 . 1 1 71 71 TYR HE2 H 1 6.542 0.00 . . . . . . A 71 TYR HE2 . 30293 1 883 . 1 1 71 71 TYR C C 13 179.082 0.00 . . . . . . A 71 TYR C . 30293 1 884 . 1 1 71 71 TYR CA C 13 61.351 0.04 . . . . . . A 71 TYR CA . 30293 1 885 . 1 1 71 71 TYR CB C 13 38.577 0.05 . . . . . . A 71 TYR CB . 30293 1 886 . 1 1 71 71 TYR CD1 C 13 133.203 0.00 . . . . . . A 71 TYR CD1 . 30293 1 887 . 1 1 71 71 TYR CD2 C 13 133.203 0.00 . . . . . . A 71 TYR CD2 . 30293 1 888 . 1 1 71 71 TYR CE1 C 13 119.324 0.00 . . . . . . A 71 TYR CE1 . 30293 1 889 . 1 1 71 71 TYR CE2 C 13 119.324 0.00 . . . . . . A 71 TYR CE2 . 30293 1 890 . 1 1 71 71 TYR N N 15 123.534 0.04 . . . . . . A 71 TYR N . 30293 1 891 . 1 1 72 72 ASP H H 1 9.189 0.01 . . . . . . A 72 ASP H . 30293 1 892 . 1 1 72 72 ASP HA H 1 4.580 0.00 . . . . . . A 72 ASP HA . 30293 1 893 . 1 1 72 72 ASP HB2 H 1 2.834 0.01 . . . . . . A 72 ASP HB2 . 30293 1 894 . 1 1 72 72 ASP HB3 H 1 2.645 0.01 . . . . . . A 72 ASP HB3 . 30293 1 895 . 1 1 72 72 ASP C C 13 177.676 0.00 . . . . . . A 72 ASP C . 30293 1 896 . 1 1 72 72 ASP CA C 13 56.568 0.05 . . . . . . A 72 ASP CA . 30293 1 897 . 1 1 72 72 ASP CB C 13 40.389 0.03 . . . . . . A 72 ASP CB . 30293 1 898 . 1 1 72 72 ASP N N 15 121.556 0.02 . . . . . . A 72 ASP N . 30293 1 899 . 1 1 73 73 GLN H H 1 7.570 0.00 . . . . . . A 73 GLN H . 30293 1 900 . 1 1 73 73 GLN HA H 1 3.948 0.00 . . . . . . A 73 GLN HA . 30293 1 901 . 1 1 73 73 GLN HB2 H 1 1.658 0.00 . . . . . . A 73 GLN HB2 . 30293 1 902 . 1 1 73 73 GLN HB3 H 1 1.286 0.00 . . . . . . A 73 GLN HB3 . 30293 1 903 . 1 1 73 73 GLN HG2 H 1 2.165 0.00 . . . . . . A 73 GLN HG2 . 30293 1 904 . 1 1 73 73 GLN HG3 H 1 1.663 0.00 . . . . . . A 73 GLN HG3 . 30293 1 905 . 1 1 73 73 GLN HE21 H 1 7.251 0.00 . . . . . . A 73 GLN HE21 . 30293 1 906 . 1 1 73 73 GLN HE22 H 1 6.759 0.00 . . . . . . A 73 GLN HE22 . 30293 1 907 . 1 1 73 73 GLN C C 13 177.279 0.00 . . . . . . A 73 GLN C . 30293 1 908 . 1 1 73 73 GLN CA C 13 57.950 0.04 . . . . . . A 73 GLN CA . 30293 1 909 . 1 1 73 73 GLN CB C 13 29.951 0.03 . . . . . . A 73 GLN CB . 30293 1 910 . 1 1 73 73 GLN CG C 13 34.022 0.05 . . . . . . A 73 GLN CG . 30293 1 911 . 1 1 73 73 GLN N N 15 116.120 0.02 . . . . . . A 73 GLN N . 30293 1 912 . 1 1 73 73 GLN NE2 N 15 112.121 0.00 . . . . . . A 73 GLN NE2 . 30293 1 913 . 1 1 74 74 PHE H H 1 8.365 0.00 . . . . . . A 74 PHE H . 30293 1 914 . 1 1 74 74 PHE HA H 1 4.710 0.00 . . . . . . A 74 PHE HA . 30293 1 915 . 1 1 74 74 PHE HB2 H 1 3.296 0.00 . . . . . . A 74 PHE HB2 . 30293 1 916 . 1 1 74 74 PHE HB3 H 1 2.957 0.00 . . . . . . A 74 PHE HB3 . 30293 1 917 . 1 1 74 74 PHE HD1 H 1 7.404 0.00 . . . . . . A 74 PHE HD1 . 30293 1 918 . 1 1 74 74 PHE HD2 H 1 7.404 0.00 . . . . . . A 74 PHE HD2 . 30293 1 919 . 1 1 74 74 PHE HE1 H 1 7.299 0.00 . . . . . . A 74 PHE HE1 . 30293 1 920 . 1 1 74 74 PHE HE2 H 1 7.299 0.00 . . . . . . A 74 PHE HE2 . 30293 1 921 . 1 1 74 74 PHE HZ H 1 7.236 0.00 . . . . . . A 74 PHE HZ . 30293 1 922 . 1 1 74 74 PHE C C 13 176.224 0.00 . . . . . . A 74 PHE C . 30293 1 923 . 1 1 74 74 PHE CA C 13 58.340 0.05 . . . . . . A 74 PHE CA . 30293 1 924 . 1 1 74 74 PHE CB C 13 40.691 0.04 . . . . . . A 74 PHE CB . 30293 1 925 . 1 1 74 74 PHE CD1 C 13 132.210 0.00 . . . . . . A 74 PHE CD1 . 30293 1 926 . 1 1 74 74 PHE CD2 C 13 132.210 0.00 . . . . . . A 74 PHE CD2 . 30293 1 927 . 1 1 74 74 PHE CE1 C 13 131.242 0.00 . . . . . . A 74 PHE CE1 . 30293 1 928 . 1 1 74 74 PHE CE2 C 13 131.242 0.00 . . . . . . A 74 PHE CE2 . 30293 1 929 . 1 1 74 74 PHE CZ C 13 130.001 0.00 . . . . . . A 74 PHE CZ . 30293 1 930 . 1 1 74 74 PHE N N 15 115.835 0.01 . . . . . . A 74 PHE N . 30293 1 931 . 1 1 75 75 GLY H H 1 8.603 0.00 . . . . . . A 75 GLY H . 30293 1 932 . 1 1 75 75 GLY HA2 H 1 3.666 0.00 . . . . . . A 75 GLY HA2 . 30293 1 933 . 1 1 75 75 GLY HA3 H 1 3.224 0.00 . . . . . . A 75 GLY HA3 . 30293 1 934 . 1 1 75 75 GLY CA C 13 46.486 0.01 . . . . . . A 75 GLY CA . 30293 1 935 . 1 1 75 75 GLY N N 15 118.106 0.01 . . . . . . A 75 GLY N . 30293 1 stop_ save_