data_30995 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30995 _Entry.Title ; Solution NMR structure of Vibrio cholerae ferrous iron transport protein C (FeoC) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-02-25 _Entry.Accession_date 2022-02-25 _Entry.Last_release_date 2022-03-02 _Entry.Original_release_date 2022-03-02 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 J. Brown J. B. . . 30995 2 M. Lee M. A. . . 30995 3 A. Smith A. T. . . 30995 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'CYTOSOLIC PROTEIN' . 30995 Feo . 30995 FeoC . 30995 'ferrous iron transport' . 30995 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30995 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 302 30995 '15N chemical shifts' 84 30995 '1H chemical shifts' 407 30995 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 . . 2022-11-02 2022-02-25 update BMRB 'update entry citation' 30995 1 . . 2022-07-05 2022-02-25 original author 'original release' 30995 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7U37 'BMRB Entry Tracking System' 30995 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30995 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35796835 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; The structure of Vibrio cholerae FeoC reveals conservation of the helix-turn-helix motif but not the cluster-binding domain ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Inorg. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 27 _Citation.Journal_issue 4-5 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1432-1327 _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 485 _Citation.Page_last 495 _Citation.Year 2022 _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 J. Brown J. B. . . 30995 1 2 M. Lee M. A. . . 30995 1 3 A. Smith A. T. . . 30995 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30995 _Assembly.ID 1 _Assembly.Name 'Ferrous iron transport protein C' _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 unit_1 1 $entity_1 A A yes . . . . . . 30995 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30995 _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 ; GMILNELKAAIESKNGATRQ ELARRFALSEDGIDAMLAVW IKKGVLSRQQYINAEDEVVR VRYVMNQVGSLAVNVTM ; _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 77 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8590.936 _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 'Iron transporter FeoC' common 30995 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 . 30995 1 2 . MET . 30995 1 3 . ILE . 30995 1 4 . LEU . 30995 1 5 . ASN . 30995 1 6 . GLU . 30995 1 7 . LEU . 30995 1 8 . LYS . 30995 1 9 . ALA . 30995 1 10 . ALA . 30995 1 11 . ILE . 30995 1 12 . GLU . 30995 1 13 . SER . 30995 1 14 . LYS . 30995 1 15 . ASN . 30995 1 16 . GLY . 30995 1 17 . ALA . 30995 1 18 . THR . 30995 1 19 . ARG . 30995 1 20 . GLN . 30995 1 21 . GLU . 30995 1 22 . LEU . 30995 1 23 . ALA . 30995 1 24 . ARG . 30995 1 25 . ARG . 30995 1 26 . PHE . 30995 1 27 . ALA . 30995 1 28 . LEU . 30995 1 29 . SER . 30995 1 30 . GLU . 30995 1 31 . ASP . 30995 1 32 . GLY . 30995 1 33 . ILE . 30995 1 34 . ASP . 30995 1 35 . ALA . 30995 1 36 . MET . 30995 1 37 . LEU . 30995 1 38 . ALA . 30995 1 39 . VAL . 30995 1 40 . TRP . 30995 1 41 . ILE . 30995 1 42 . LYS . 30995 1 43 . LYS . 30995 1 44 . GLY . 30995 1 45 . VAL . 30995 1 46 . LEU . 30995 1 47 . SER . 30995 1 48 . ARG . 30995 1 49 . GLN . 30995 1 50 . GLN . 30995 1 51 . TYR . 30995 1 52 . ILE . 30995 1 53 . ASN . 30995 1 54 . ALA . 30995 1 55 . GLU . 30995 1 56 . ASP . 30995 1 57 . GLU . 30995 1 58 . VAL . 30995 1 59 . VAL . 30995 1 60 . ARG . 30995 1 61 . VAL . 30995 1 62 . ARG . 30995 1 63 . TYR . 30995 1 64 . VAL . 30995 1 65 . MET . 30995 1 66 . ASN . 30995 1 67 . GLN . 30995 1 68 . VAL . 30995 1 69 . GLY . 30995 1 70 . SER . 30995 1 71 . LEU . 30995 1 72 . ALA . 30995 1 73 . VAL . 30995 1 74 . ASN . 30995 1 75 . VAL . 30995 1 76 . THR . 30995 1 77 . MET . 30995 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 30995 1 . MET 2 2 30995 1 . ILE 3 3 30995 1 . LEU 4 4 30995 1 . ASN 5 5 30995 1 . GLU 6 6 30995 1 . LEU 7 7 30995 1 . LYS 8 8 30995 1 . ALA 9 9 30995 1 . ALA 10 10 30995 1 . ILE 11 11 30995 1 . GLU 12 12 30995 1 . SER 13 13 30995 1 . LYS 14 14 30995 1 . ASN 15 15 30995 1 . GLY 16 16 30995 1 . ALA 17 17 30995 1 . THR 18 18 30995 1 . ARG 19 19 30995 1 . GLN 20 20 30995 1 . GLU 21 21 30995 1 . LEU 22 22 30995 1 . ALA 23 23 30995 1 . ARG 24 24 30995 1 . ARG 25 25 30995 1 . PHE 26 26 30995 1 . ALA 27 27 30995 1 . LEU 28 28 30995 1 . SER 29 29 30995 1 . GLU 30 30 30995 1 . ASP 31 31 30995 1 . GLY 32 32 30995 1 . ILE 33 33 30995 1 . ASP 34 34 30995 1 . ALA 35 35 30995 1 . MET 36 36 30995 1 . LEU 37 37 30995 1 . ALA 38 38 30995 1 . VAL 39 39 30995 1 . TRP 40 40 30995 1 . ILE 41 41 30995 1 . LYS 42 42 30995 1 . LYS 43 43 30995 1 . GLY 44 44 30995 1 . VAL 45 45 30995 1 . LEU 46 46 30995 1 . SER 47 47 30995 1 . ARG 48 48 30995 1 . GLN 49 49 30995 1 . GLN 50 50 30995 1 . TYR 51 51 30995 1 . ILE 52 52 30995 1 . ASN 53 53 30995 1 . ALA 54 54 30995 1 . GLU 55 55 30995 1 . ASP 56 56 30995 1 . GLU 57 57 30995 1 . VAL 58 58 30995 1 . VAL 59 59 30995 1 . ARG 60 60 30995 1 . VAL 61 61 30995 1 . ARG 62 62 30995 1 . TYR 63 63 30995 1 . VAL 64 64 30995 1 . MET 65 65 30995 1 . ASN 66 66 30995 1 . GLN 67 67 30995 1 . VAL 68 68 30995 1 . GLY 69 69 30995 1 . SER 70 70 30995 1 . LEU 71 71 30995 1 . ALA 72 72 30995 1 . VAL 73 73 30995 1 . ASN 74 74 30995 1 . VAL 75 75 30995 1 . THR 76 76 30995 1 . MET 77 77 30995 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 30995 _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 . 127906 organism . 'Vibrio cholerae O1' 'Vibrio cholerae O1' . . Bacteria . Vibrio cholerae . . . . . . . . . . . . ; D6U24_00500, ERS013138_00486, ERS013165_00119, ERS013166_01719, ERS013173_02915, ERS013186_03225, ERS013193_04710, ERS013198_00924, ERS013199_01103, ERS013200_03657, ERS013202_01477, ERS013206_03620, ERS013207_00898, EYB64_02470 ; 30995 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 30995 _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 . . . . . . . . . . 30995 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30995 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 50 mM sodium phosphate, 5 mM sodium chloride, 1 g/L [U-99% 15N] ammonium chloride, 300 uM [U-15N] Vibrio cholerae FeoC, 90% H2O/10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 30995 1 2 'sodium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 30995 1 3 'ammonium chloride' '[U-99% 15N]' . . . . . . 1 . . g/L . . . . 30995 1 4 'Vibrio cholerae FeoC' [U-15N] . . 1 $entity_1 . . 300 . . uM . . . . 30995 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30995 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 50 mM sodium phosphate, 5 mM sodium chloride, 1 g/L [U-15N] ammonium chloride, 4 g/L [U-100% 13C] glucose, 300 uM [U-13C; U-15N] Vibrio cholerae FeoC, 90% H2O/10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 30995 2 2 'sodium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 30995 2 3 'ammonium chloride' [U-15N] . . . . . . 1 . . g/L . . . . 30995 2 4 'Vibrio cholerae FeoC' '[U-13C; U-15N]' . . 1 $entity_1 . . 300 . . uM . . . . 30995 2 5 glucose '[U-100% 13C]' . . . . . . 4 . . g/L . . . . 30995 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 30995 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '50 mM sodium phosphate, 5 mM sodium chloride, 4 g/L [U-100% 13C] glucose, 300 uM [U-13C; U-15N] Vibrio cholerae FeoC, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 30995 3 2 'sodium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 30995 3 3 'Vibrio cholerae FeoC' '[U-13C; U-15N]' . . 1 $entity_1 . . 300 . . uM . . . . 30995 3 4 glucose '[U-100% 13C]' . . . . . . 4 . . g/L . . . . 30995 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 30995 _Sample.ID 4 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '50 mM sodium phosphate, 5 mM sodium chloride, 300 uM [U-13C; U-15N] Vibrio cholerae FeoC, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 30995 4 2 'sodium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 30995 4 3 'Vibrio cholerae FeoC' '[U-13C; U-15N]' . . 1 $entity_1 . . 300 . . uM . . . . 30995 4 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 30995 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 5 . mM 30995 1 pH 6 . pH 30995 1 pressure 1 . atm 30995 1 temperature 298 . K 30995 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 30995 _Sample_condition_list.ID 2 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 5 . mM 30995 2 pH 6 . pD 30995 2 pressure 1 . atm 30995 2 temperature 298 . K 30995 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30995 _Software.ID 1 _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' . . 30995 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 30995 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30995 _Software.ID 2 _Software.Type . _Software.Name NMRFx _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 30995 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 30995 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30995 _Software.ID 3 _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' . . 30995 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 30995 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30995 _Software.ID 4 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 30995 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 30995 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30995 _Software.ID 5 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 30995 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 30995 5 'structure calculation' . 30995 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 30995 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _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 30995 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker DMX . 600 . . . 30995 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 30995 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30995 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30995 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30995 1 4 '3D HNCACB' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30995 1 5 '3D HNCO' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30995 1 6 '3D HN(CA)CO' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30995 1 7 '4D HSQC-NOESY-HMQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30995 1 8 '4D HMQC-NOESY-HMQC' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30995 1 9 '2D 1H-1H NOESY' no . . . . . . . . . . . . 4 $sample_4 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30995 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 30995 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TMS 'methyl carbons' . . . . ppm 0 external indirect 1.0 . . . . . 30995 1 H 1 water protons . . . . ppm 4.7 internal direct 1.0 . . . . . 30995 1 N 15 urea nitrogen . . . . ppm 0 external indirect 1.0 . . . . . 30995 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 30995 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _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' . . . 30995 1 2 '3D 1H-15N NOESY' . . . 30995 1 3 '3D CBCA(CO)NH' . . . 30995 1 4 '3D HNCACB' . . . 30995 1 5 '3D HNCO' . . . 30995 1 6 '3D HN(CA)CO' . . . 30995 1 7 '4D HSQC-NOESY-HMQC' . . . 30995 1 8 '4D HMQC-NOESY-HMQC' . . . 30995 1 9 '2D 1H-1H NOESY' . . . 30995 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 GLY C C 13 170.1955 0.0000 . 1 . . . . A 1 GLY C . 30995 1 2 . 1 . 1 1 1 GLY CA C 13 43.3126 0.0000 . 1 . . . . A 1 GLY CA . 30995 1 3 . 1 . 1 2 2 MET H H 1 8.7665 0.0000 . 1 . . . . A 2 MET H . 30995 1 4 . 1 . 1 2 2 MET HA H 1 4.5184 0.0000 . 1 . . . . A 2 MET HA . 30995 1 5 . 1 . 1 2 2 MET HB2 H 1 2.0312 0.0000 . 2 . . . . A 2 MET HB2 . 30995 1 6 . 1 . 1 2 2 MET C C 13 177.0996 0.0000 . 1 . . . . A 2 MET C . 30995 1 7 . 1 . 1 2 2 MET CA C 13 56.0349 0.0000 . 1 . . . . A 2 MET CA . 30995 1 8 . 1 . 1 2 2 MET CB C 13 32.8599 0.0000 . 1 . . . . A 2 MET CB . 30995 1 9 . 1 . 1 2 2 MET N N 15 120.9924 0.0000 . 1 . . . . A 2 MET N . 30995 1 10 . 1 . 1 3 3 ILE H H 1 8.3457 0.0000 . 1 . . . . A 3 ILE H . 30995 1 11 . 1 . 1 3 3 ILE HA H 1 4.0714 0.0000 . 1 . . . . A 3 ILE HA . 30995 1 12 . 1 . 1 3 3 ILE HB H 1 1.7689 0.0000 . 1 . . . . A 3 ILE HB . 30995 1 13 . 1 . 1 3 3 ILE HG13 H 1 1.1709 0.0000 . 2 . . . . A 3 ILE HG13 . 30995 1 14 . 1 . 1 3 3 ILE HG21 H 1 0.7358 0.0000 . 1 . . . . A 3 ILE HG21 . 30995 1 15 . 1 . 1 3 3 ILE HG22 H 1 0.7358 0.0000 . 1 . . . . A 3 ILE HG22 . 30995 1 16 . 1 . 1 3 3 ILE HG23 H 1 0.7358 0.0000 . 1 . . . . A 3 ILE HG23 . 30995 1 17 . 1 . 1 3 3 ILE C C 13 176.5528 0.0000 . 1 . . . . A 3 ILE C . 30995 1 18 . 1 . 1 3 3 ILE CA C 13 62.7444 0.0000 . 1 . . . . A 3 ILE CA . 30995 1 19 . 1 . 1 3 3 ILE CB C 13 37.9545 0.0000 . 1 . . . . A 3 ILE CB . 30995 1 20 . 1 . 1 3 3 ILE CG1 C 13 28.3955 0.0000 . 1 . . . . A 3 ILE CG1 . 30995 1 21 . 1 . 1 3 3 ILE CG2 C 13 21.0908 0.0000 . 1 . . . . A 3 ILE CG2 . 30995 1 22 . 1 . 1 3 3 ILE N N 15 122.8473 0.0000 . 1 . . . . A 3 ILE N . 30995 1 23 . 1 . 1 4 4 LEU H H 1 8.1243 0.0000 . 1 . . . . A 4 LEU H . 30995 1 24 . 1 . 1 4 4 LEU HA H 1 3.8107 0.0000 . 1 . . . . A 4 LEU HA . 30995 1 25 . 1 . 1 4 4 LEU HB2 H 1 1.5092 0.0000 . 2 . . . . A 4 LEU HB2 . 30995 1 26 . 1 . 1 4 4 LEU HG H 1 1.3990 0.0000 . 1 . . . . A 4 LEU HG . 30995 1 27 . 1 . 1 4 4 LEU HD11 H 1 0.4503 0.0000 . 2 . . . . A 4 LEU HD11 . 30995 1 28 . 1 . 1 4 4 LEU HD12 H 1 0.4503 0.0000 . 2 . . . . A 4 LEU HD12 . 30995 1 29 . 1 . 1 4 4 LEU HD13 H 1 0.4503 0.0000 . 2 . . . . A 4 LEU HD13 . 30995 1 30 . 1 . 1 4 4 LEU C C 13 178.7677 0.0000 . 1 . . . . A 4 LEU C . 30995 1 31 . 1 . 1 4 4 LEU CA C 13 58.3765 0.0000 . 1 . . . . A 4 LEU CA . 30995 1 32 . 1 . 1 4 4 LEU CB C 13 41.4263 0.0000 . 1 . . . . A 4 LEU CB . 30995 1 33 . 1 . 1 4 4 LEU CG C 13 27.0651 0.0000 . 1 . . . . A 4 LEU CG . 30995 1 34 . 1 . 1 4 4 LEU CD1 C 13 24.9373 0.0000 . 2 . . . . A 4 LEU CD1 . 30995 1 35 . 1 . 1 4 4 LEU N N 15 122.1862 0.0000 . 1 . . . . A 4 LEU N . 30995 1 36 . 1 . 1 5 5 ASN H H 1 7.7992 0.0000 . 1 . . . . A 5 ASN H . 30995 1 37 . 1 . 1 5 5 ASN HA H 1 4.4541 0.0000 . 1 . . . . A 5 ASN HA . 30995 1 38 . 1 . 1 5 5 ASN HB2 H 1 2.8319 0.0000 . 2 . . . . A 5 ASN HB2 . 30995 1 39 . 1 . 1 5 5 ASN HD21 H 1 7.6671 0.0000 . 2 . . . . A 5 ASN HD21 . 30995 1 40 . 1 . 1 5 5 ASN HD22 H 1 6.9662 0.0000 . 2 . . . . A 5 ASN HD22 . 30995 1 41 . 1 . 1 5 5 ASN C C 13 178.2700 0.0000 . 1 . . . . A 5 ASN C . 30995 1 42 . 1 . 1 5 5 ASN CA C 13 55.9333 0.0000 . 1 . . . . A 5 ASN CA . 30995 1 43 . 1 . 1 5 5 ASN CB C 13 37.6338 0.0000 . 1 . . . . A 5 ASN CB . 30995 1 44 . 1 . 1 5 5 ASN CG C 13 175.9143 0.0000 . 1 . . . . A 5 ASN CG . 30995 1 45 . 1 . 1 5 5 ASN N N 15 116.2452 0.0000 . 1 . . . . A 5 ASN N . 30995 1 46 . 1 . 1 5 5 ASN ND2 N 15 112.0461 0.0000 . 1 . . . . A 5 ASN ND2 . 30995 1 47 . 1 . 1 6 6 GLU H H 1 8.0448 0.0000 . 1 . . . . A 6 GLU H . 30995 1 48 . 1 . 1 6 6 GLU HA H 1 4.0649 0.0000 . 1 . . . . A 6 GLU HA . 30995 1 49 . 1 . 1 6 6 GLU HB2 H 1 2.0552 0.0000 . 2 . . . . A 6 GLU HB2 . 30995 1 50 . 1 . 1 6 6 GLU HG2 H 1 2.2754 0.0000 . 2 . . . . A 6 GLU HG2 . 30995 1 51 . 1 . 1 6 6 GLU C C 13 179.4399 0.0000 . 1 . . . . A 6 GLU C . 30995 1 52 . 1 . 1 6 6 GLU CA C 13 59.1051 0.0000 . 1 . . . . A 6 GLU CA . 30995 1 53 . 1 . 1 6 6 GLU CB C 13 29.5259 0.0000 . 1 . . . . A 6 GLU CB . 30995 1 54 . 1 . 1 6 6 GLU CG C 13 36.6378 0.0000 . 1 . . . . A 6 GLU CG . 30995 1 55 . 1 . 1 6 6 GLU N N 15 121.5897 0.0000 . 1 . . . . A 6 GLU N . 30995 1 56 . 1 . 1 7 7 LEU H H 1 8.2038 0.0000 . 1 . . . . A 7 LEU H . 30995 1 57 . 1 . 1 7 7 LEU HA H 1 3.7501 0.0000 . 1 . . . . A 7 LEU HA . 30995 1 58 . 1 . 1 7 7 LEU HB2 H 1 1.5283 0.0000 . 2 . . . . A 7 LEU HB2 . 30995 1 59 . 1 . 1 7 7 LEU HB3 H 1 1.2492 0.0000 . 2 . . . . A 7 LEU HB3 . 30995 1 60 . 1 . 1 7 7 LEU HG H 1 1.2378 0.0000 . 1 . . . . A 7 LEU HG . 30995 1 61 . 1 . 1 7 7 LEU HD11 H 1 0.3684 0.0000 . 2 . . . . A 7 LEU HD11 . 30995 1 62 . 1 . 1 7 7 LEU HD12 H 1 0.3684 0.0000 . 2 . . . . A 7 LEU HD12 . 30995 1 63 . 1 . 1 7 7 LEU HD13 H 1 0.3684 0.0000 . 2 . . . . A 7 LEU HD13 . 30995 1 64 . 1 . 1 7 7 LEU C C 13 177.9590 0.0000 . 1 . . . . A 7 LEU C . 30995 1 65 . 1 . 1 7 7 LEU CA C 13 58.1377 0.0000 . 1 . . . . A 7 LEU CA . 30995 1 66 . 1 . 1 7 7 LEU CB C 13 42.0660 0.0000 . 1 . . . . A 7 LEU CB . 30995 1 67 . 1 . 1 7 7 LEU CG C 13 26.9770 0.0000 . 1 . . . . A 7 LEU CG . 30995 1 68 . 1 . 1 7 7 LEU CD1 C 13 25.2656 0.0000 . 2 . . . . A 7 LEU CD1 . 30995 1 69 . 1 . 1 7 7 LEU N N 15 121.4735 0.0000 . 1 . . . . A 7 LEU N . 30995 1 70 . 1 . 1 8 8 LYS H H 1 7.7325 0.0000 . 1 . . . . A 8 LYS H . 30995 1 71 . 1 . 1 8 8 LYS HA H 1 3.5094 0.0000 . 1 . . . . A 8 LYS HA . 30995 1 72 . 1 . 1 8 8 LYS HB2 H 1 1.5529 0.0000 . 2 . . . . A 8 LYS HB2 . 30995 1 73 . 1 . 1 8 8 LYS HG2 H 1 1.5195 0.0000 . 2 . . . . A 8 LYS HG2 . 30995 1 74 . 1 . 1 8 8 LYS HE2 H 1 3.0692 0.0000 . 2 . . . . A 8 LYS HE2 . 30995 1 75 . 1 . 1 8 8 LYS C C 13 177.5326 0.0000 . 1 . . . . A 8 LYS C . 30995 1 76 . 1 . 1 8 8 LYS CA C 13 60.1740 0.0000 . 1 . . . . A 8 LYS CA . 30995 1 77 . 1 . 1 8 8 LYS CB C 13 32.2005 0.0000 . 1 . . . . A 8 LYS CB . 30995 1 78 . 1 . 1 8 8 LYS CG C 13 27.8840 0.0000 . 1 . . . . A 8 LYS CG . 30995 1 79 . 1 . 1 8 8 LYS CE C 13 43.6778 0.0000 . 1 . . . . A 8 LYS CE . 30995 1 80 . 1 . 1 8 8 LYS N N 15 117.7717 0.0000 . 1 . . . . A 8 LYS N . 30995 1 81 . 1 . 1 9 9 ALA H H 1 7.6352 0.0000 . 1 . . . . A 9 ALA H . 30995 1 82 . 1 . 1 9 9 ALA HA H 1 4.1317 0.0000 . 1 . . . . A 9 ALA HA . 30995 1 83 . 1 . 1 9 9 ALA HB1 H 1 1.4084 0.0000 . 1 . . . . A 9 ALA HB1 . 30995 1 84 . 1 . 1 9 9 ALA HB2 H 1 1.4084 0.0000 . 1 . . . . A 9 ALA HB2 . 30995 1 85 . 1 . 1 9 9 ALA HB3 H 1 1.4084 0.0000 . 1 . . . . A 9 ALA HB3 . 30995 1 86 . 1 . 1 9 9 ALA C C 13 180.1272 0.0000 . 1 . . . . A 9 ALA C . 30995 1 87 . 1 . 1 9 9 ALA CA C 13 54.5726 0.0000 . 1 . . . . A 9 ALA CA . 30995 1 88 . 1 . 1 9 9 ALA CB C 13 18.1038 0.0000 . 1 . . . . A 9 ALA CB . 30995 1 89 . 1 . 1 9 9 ALA N N 15 118.8604 0.0000 . 1 . . . . A 9 ALA N . 30995 1 90 . 1 . 1 10 10 ALA H H 1 7.8097 0.0000 . 1 . . . . A 10 ALA H . 30995 1 91 . 1 . 1 10 10 ALA HA H 1 4.1526 0.0000 . 1 . . . . A 10 ALA HA . 30995 1 92 . 1 . 1 10 10 ALA HB1 H 1 1.5203 0.0000 . 1 . . . . A 10 ALA HB1 . 30995 1 93 . 1 . 1 10 10 ALA HB2 H 1 1.5203 0.0000 . 1 . . . . A 10 ALA HB2 . 30995 1 94 . 1 . 1 10 10 ALA HB3 H 1 1.5203 0.0000 . 1 . . . . A 10 ALA HB3 . 30995 1 95 . 1 . 1 10 10 ALA C C 13 179.6288 0.0000 . 1 . . . . A 10 ALA C . 30995 1 96 . 1 . 1 10 10 ALA CA C 13 54.5734 0.0000 . 1 . . . . A 10 ALA CA . 30995 1 97 . 1 . 1 10 10 ALA CB C 13 18.2391 0.0000 . 1 . . . . A 10 ALA CB . 30995 1 98 . 1 . 1 10 10 ALA N N 15 120.4296 0.0000 . 1 . . . . A 10 ALA N . 30995 1 99 . 1 . 1 11 11 ILE H H 1 7.7810 0.0000 . 1 . . . . A 11 ILE H . 30995 1 100 . 1 . 1 11 11 ILE HA H 1 3.6021 0.0000 . 1 . . . . A 11 ILE HA . 30995 1 101 . 1 . 1 11 11 ILE HB H 1 1.7248 0.0000 . 1 . . . . A 11 ILE HB . 30995 1 102 . 1 . 1 11 11 ILE HG12 H 1 1.5293 0.0000 . 2 . . . . A 11 ILE HG12 . 30995 1 103 . 1 . 1 11 11 ILE HG21 H 1 0.7841 0.0000 . 1 . . . . A 11 ILE HG21 . 30995 1 104 . 1 . 1 11 11 ILE HG22 H 1 0.7841 0.0000 . 1 . . . . A 11 ILE HG22 . 30995 1 105 . 1 . 1 11 11 ILE HG23 H 1 0.7841 0.0000 . 1 . . . . A 11 ILE HG23 . 30995 1 106 . 1 . 1 11 11 ILE HD11 H 1 0.5087 0.0000 . 1 . . . . A 11 ILE HD11 . 30995 1 107 . 1 . 1 11 11 ILE HD12 H 1 0.5087 0.0000 . 1 . . . . A 11 ILE HD12 . 30995 1 108 . 1 . 1 11 11 ILE HD13 H 1 0.5087 0.0000 . 1 . . . . A 11 ILE HD13 . 30995 1 109 . 1 . 1 11 11 ILE C C 13 176.9881 0.0000 . 1 . . . . A 11 ILE C . 30995 1 110 . 1 . 1 11 11 ILE CA C 13 64.1783 0.0000 . 1 . . . . A 11 ILE CA . 30995 1 111 . 1 . 1 11 11 ILE CB C 13 38.4546 0.0000 . 1 . . . . A 11 ILE CB . 30995 1 112 . 1 . 1 11 11 ILE CG1 C 13 29.3783 0.0000 . 1 . . . . A 11 ILE CG1 . 30995 1 113 . 1 . 1 11 11 ILE CG2 C 13 17.9681 0.0000 . 1 . . . . A 11 ILE CG2 . 30995 1 114 . 1 . 1 11 11 ILE CD1 C 13 14.5533 0.0000 . 1 . . . . A 11 ILE CD1 . 30995 1 115 . 1 . 1 11 11 ILE N N 15 118.1435 0.0000 . 1 . . . . A 11 ILE N . 30995 1 116 . 1 . 1 12 12 GLU H H 1 8.1798 0.0000 . 1 . . . . A 12 GLU H . 30995 1 117 . 1 . 1 12 12 GLU HA H 1 4.0436 0.0000 . 1 . . . . A 12 GLU HA . 30995 1 118 . 1 . 1 12 12 GLU HB2 H 1 2.4762 0.0000 . 2 . . . . A 12 GLU HB2 . 30995 1 119 . 1 . 1 12 12 GLU HG2 H 1 2.2741 0.0000 . 2 . . . . A 12 GLU HG2 . 30995 1 120 . 1 . 1 12 12 GLU C C 13 178.2903 0.0000 . 1 . . . . A 12 GLU C . 30995 1 121 . 1 . 1 12 12 GLU CA C 13 58.4197 0.0000 . 1 . . . . A 12 GLU CA . 30995 1 122 . 1 . 1 12 12 GLU CB C 13 29.7784 0.0000 . 1 . . . . A 12 GLU CB . 30995 1 123 . 1 . 1 12 12 GLU CG C 13 36.9425 0.0000 . 1 . . . . A 12 GLU CG . 30995 1 124 . 1 . 1 12 12 GLU N N 15 119.0227 0.0000 . 1 . . . . A 12 GLU N . 30995 1 125 . 1 . 1 13 13 SER H H 1 7.7669 0.0000 . 1 . . . . A 13 SER H . 30995 1 126 . 1 . 1 13 13 SER HA H 1 4.2695 0.0000 . 1 . . . . A 13 SER HA . 30995 1 127 . 1 . 1 13 13 SER HB2 H 1 3.9702 0.0000 . 2 . . . . A 13 SER HB2 . 30995 1 128 . 1 . 1 13 13 SER C C 13 175.0916 0.0000 . 1 . . . . A 13 SER C . 30995 1 129 . 1 . 1 13 13 SER CA C 13 60.1787 0.0000 . 1 . . . . A 13 SER CA . 30995 1 130 . 1 . 1 13 13 SER CB C 13 63.6863 0.0000 . 1 . . . . A 13 SER CB . 30995 1 131 . 1 . 1 13 13 SER N N 15 113.8750 0.0000 . 1 . . . . A 13 SER N . 30995 1 132 . 1 . 1 14 14 LYS H H 1 7.8384 0.0000 . 1 . . . . A 14 LYS H . 30995 1 133 . 1 . 1 14 14 LYS HA H 1 4.3097 0.0000 . 1 . . . . A 14 LYS HA . 30995 1 134 . 1 . 1 14 14 LYS HB2 H 1 1.8112 0.0000 . 2 . . . . A 14 LYS HB2 . 30995 1 135 . 1 . 1 14 14 LYS HG2 H 1 1.4254 0.0000 . 2 . . . . A 14 LYS HG2 . 30995 1 136 . 1 . 1 14 14 LYS C C 13 176.0682 0.0000 . 1 . . . . A 14 LYS C . 30995 1 137 . 1 . 1 14 14 LYS CA C 13 56.7517 0.0000 . 1 . . . . A 14 LYS CA . 30995 1 138 . 1 . 1 14 14 LYS CB C 13 32.4147 0.0000 . 1 . . . . A 14 LYS CB . 30995 1 139 . 1 . 1 14 14 LYS CG C 13 23.9636 0.0000 . 1 . . . . A 14 LYS CG . 30995 1 140 . 1 . 1 14 14 LYS N N 15 120.7519 0.0000 . 1 . . . . A 14 LYS N . 30995 1 141 . 1 . 1 15 15 ASN H H 1 8.1600 0.0000 . 1 . . . . A 15 ASN H . 30995 1 142 . 1 . 1 15 15 ASN HA H 1 4.6078 0.0000 . 1 . . . . A 15 ASN HA . 30995 1 143 . 1 . 1 15 15 ASN HB2 H 1 2.6755 0.0000 . 2 . . . . A 15 ASN HB2 . 30995 1 144 . 1 . 1 15 15 ASN HB3 H 1 2.9573 0.0000 . 2 . . . . A 15 ASN HB3 . 30995 1 145 . 1 . 1 15 15 ASN HD21 H 1 7.6638 0.0000 . 2 . . . . A 15 ASN HD21 . 30995 1 146 . 1 . 1 15 15 ASN HD22 H 1 6.8404 0.0000 . 2 . . . . A 15 ASN HD22 . 30995 1 147 . 1 . 1 15 15 ASN C C 13 175.2839 0.0000 . 1 . . . . A 15 ASN C . 30995 1 148 . 1 . 1 15 15 ASN CA C 13 53.9713 0.0000 . 1 . . . . A 15 ASN CA . 30995 1 149 . 1 . 1 15 15 ASN CB C 13 38.0195 0.0000 . 1 . . . . A 15 ASN CB . 30995 1 150 . 1 . 1 15 15 ASN CG C 13 177.6092 0.0000 . 1 . . . . A 15 ASN CG . 30995 1 151 . 1 . 1 15 15 ASN N N 15 116.9832 0.0000 . 1 . . . . A 15 ASN N . 30995 1 152 . 1 . 1 15 15 ASN ND2 N 15 111.7996 0.0000 . 1 . . . . A 15 ASN ND2 . 30995 1 153 . 1 . 1 16 16 GLY H H 1 8.1372 0.0000 . 1 . . . . A 16 GLY H . 30995 1 154 . 1 . 1 16 16 GLY HA2 H 1 4.4057 0.0000 . 2 . . . . A 16 GLY HA2 . 30995 1 155 . 1 . 1 16 16 GLY HA3 H 1 4.0633 0.0000 . 2 . . . . A 16 GLY HA3 . 30995 1 156 . 1 . 1 16 16 GLY C C 13 172.8184 0.0000 . 1 . . . . A 16 GLY C . 30995 1 157 . 1 . 1 16 16 GLY CA C 13 45.2514 0.0000 . 1 . . . . A 16 GLY CA . 30995 1 158 . 1 . 1 16 16 GLY N N 15 109.0796 0.0000 . 1 . . . . A 16 GLY N . 30995 1 159 . 1 . 1 17 17 ALA H H 1 8.3584 0.0000 . 1 . . . . A 17 ALA H . 30995 1 160 . 1 . 1 17 17 ALA HB1 H 1 1.3430 0.0000 . 1 . . . . A 17 ALA HB1 . 30995 1 161 . 1 . 1 17 17 ALA HB2 H 1 1.3430 0.0000 . 1 . . . . A 17 ALA HB2 . 30995 1 162 . 1 . 1 17 17 ALA HB3 H 1 1.3430 0.0000 . 1 . . . . A 17 ALA HB3 . 30995 1 163 . 1 . 1 17 17 ALA C C 13 176.6815 0.0000 . 1 . . . . A 17 ALA C . 30995 1 164 . 1 . 1 17 17 ALA CA C 13 51.5020 0.0000 . 1 . . . . A 17 ALA CA . 30995 1 165 . 1 . 1 17 17 ALA CB C 13 22.6284 0.0000 . 1 . . . . A 17 ALA CB . 30995 1 166 . 1 . 1 17 17 ALA N N 15 120.7197 0.0000 . 1 . . . . A 17 ALA N . 30995 1 167 . 1 . 1 18 18 THR H H 1 9.0906 0.0000 . 1 . . . . A 18 THR H . 30995 1 168 . 1 . 1 18 18 THR HA H 1 5.0497 0.0000 . 1 . . . . A 18 THR HA . 30995 1 169 . 1 . 1 18 18 THR HB H 1 4.9566 0.0000 . 1 . . . . A 18 THR HB . 30995 1 170 . 1 . 1 18 18 THR C C 13 175.0856 0.0000 . 1 . . . . A 18 THR C . 30995 1 171 . 1 . 1 18 18 THR CA C 13 60.1269 0.0000 . 1 . . . . A 18 THR CA . 30995 1 172 . 1 . 1 18 18 THR CB C 13 70.9018 0.0000 . 1 . . . . A 18 THR CB . 30995 1 173 . 1 . 1 18 18 THR N N 15 111.6972 0.0000 . 1 . . . . A 18 THR N . 30995 1 174 . 1 . 1 19 19 ARG H H 1 8.8512 0.0000 . 1 . . . . A 19 ARG H . 30995 1 175 . 1 . 1 19 19 ARG HA H 1 4.0541 0.0000 . 1 . . . . A 19 ARG HA . 30995 1 176 . 1 . 1 19 19 ARG HB2 H 1 2.2267 0.0000 . 2 . . . . A 19 ARG HB2 . 30995 1 177 . 1 . 1 19 19 ARG HB3 H 1 1.7190 0.0000 . 2 . . . . A 19 ARG HB3 . 30995 1 178 . 1 . 1 19 19 ARG HG2 H 1 1.5361 0.0000 . 2 . . . . A 19 ARG HG2 . 30995 1 179 . 1 . 1 19 19 ARG HD2 H 1 3.0802 0.0000 . 2 . . . . A 19 ARG HD2 . 30995 1 180 . 1 . 1 19 19 ARG C C 13 177.6693 0.0000 . 1 . . . . A 19 ARG C . 30995 1 181 . 1 . 1 19 19 ARG CA C 13 60.7667 0.0000 . 1 . . . . A 19 ARG CA . 30995 1 182 . 1 . 1 19 19 ARG CB C 13 31.6684 0.0000 . 1 . . . . A 19 ARG CB . 30995 1 183 . 1 . 1 19 19 ARG N N 15 123.1190 0.0000 . 1 . . . . A 19 ARG N . 30995 1 184 . 1 . 1 20 20 GLN H H 1 8.4745 0.0000 . 1 . . . . A 20 GLN H . 30995 1 185 . 1 . 1 20 20 GLN HA H 1 3.9568 0.0000 . 1 . . . . A 20 GLN HA . 30995 1 186 . 1 . 1 20 20 GLN HB2 H 1 2.0250 0.0000 . 2 . . . . A 20 GLN HB2 . 30995 1 187 . 1 . 1 20 20 GLN HG2 H 1 2.1596 0.0000 . 2 . . . . A 20 GLN HG2 . 30995 1 188 . 1 . 1 20 20 GLN C C 13 178.1164 0.0000 . 1 . . . . A 20 GLN C . 30995 1 189 . 1 . 1 20 20 GLN CA C 13 59.6282 0.0000 . 1 . . . . A 20 GLN CA . 30995 1 190 . 1 . 1 20 20 GLN CB C 13 29.1006 0.0000 . 1 . . . . A 20 GLN CB . 30995 1 191 . 1 . 1 20 20 GLN CG C 13 33.6866 0.0000 . 1 . . . . A 20 GLN CG . 30995 1 192 . 1 . 1 20 20 GLN N N 15 116.7422 0.0000 . 1 . . . . A 20 GLN N . 30995 1 193 . 1 . 1 21 21 GLU H H 1 8.0401 0.0000 . 1 . . . . A 21 GLU H . 30995 1 194 . 1 . 1 21 21 GLU HA H 1 4.1018 0.0000 . 1 . . . . A 21 GLU HA . 30995 1 195 . 1 . 1 21 21 GLU HB2 H 1 2.2168 0.0000 . 2 . . . . A 21 GLU HB2 . 30995 1 196 . 1 . 1 21 21 GLU HG2 H 1 2.5400 0.0000 . 2 . . . . A 21 GLU HG2 . 30995 1 197 . 1 . 1 21 21 GLU HG3 H 1 2.0922 0.0000 . 2 . . . . A 21 GLU HG3 . 30995 1 198 . 1 . 1 21 21 GLU C C 13 179.4945 0.0000 . 1 . . . . A 21 GLU C . 30995 1 199 . 1 . 1 21 21 GLU CA C 13 58.9302 0.0000 . 1 . . . . A 21 GLU CA . 30995 1 200 . 1 . 1 21 21 GLU CB C 13 29.3522 0.0000 . 1 . . . . A 21 GLU CB . 30995 1 201 . 1 . 1 21 21 GLU CG C 13 36.6689 0.0000 . 1 . . . . A 21 GLU CG . 30995 1 202 . 1 . 1 21 21 GLU N N 15 120.1299 0.0000 . 1 . . . . A 21 GLU N . 30995 1 203 . 1 . 1 22 22 LEU H H 1 8.2055 0.0000 . 1 . . . . A 22 LEU H . 30995 1 204 . 1 . 1 22 22 LEU HA H 1 4.1018 0.0000 . 1 . . . . A 22 LEU HA . 30995 1 205 . 1 . 1 22 22 LEU HB2 H 1 2.0303 0.0000 . 2 . . . . A 22 LEU HB2 . 30995 1 206 . 1 . 1 22 22 LEU HB3 H 1 1.3414 0.0000 . 2 . . . . A 22 LEU HB3 . 30995 1 207 . 1 . 1 22 22 LEU HG H 1 2.0452 0.0000 . 1 . . . . A 22 LEU HG . 30995 1 208 . 1 . 1 22 22 LEU C C 13 178.0407 0.0000 . 1 . . . . A 22 LEU C . 30995 1 209 . 1 . 1 22 22 LEU CA C 13 57.8026 0.0000 . 1 . . . . A 22 LEU CA . 30995 1 210 . 1 . 1 22 22 LEU CB C 13 42.1945 0.0000 . 1 . . . . A 22 LEU CB . 30995 1 211 . 1 . 1 22 22 LEU CG C 13 26.1746 0.0000 . 1 . . . . A 22 LEU CG . 30995 1 212 . 1 . 1 22 22 LEU N N 15 120.5363 0.0000 . 1 . . . . A 22 LEU N . 30995 1 213 . 1 . 1 23 23 ALA H H 1 8.2853 0.0000 . 1 . . . . A 23 ALA H . 30995 1 214 . 1 . 1 23 23 ALA HA H 1 3.8664 0.0000 . 1 . . . . A 23 ALA HA . 30995 1 215 . 1 . 1 23 23 ALA HB1 H 1 1.4553 0.0000 . 1 . . . . A 23 ALA HB1 . 30995 1 216 . 1 . 1 23 23 ALA HB2 H 1 1.4553 0.0000 . 1 . . . . A 23 ALA HB2 . 30995 1 217 . 1 . 1 23 23 ALA HB3 H 1 1.4553 0.0000 . 1 . . . . A 23 ALA HB3 . 30995 1 218 . 1 . 1 23 23 ALA C C 13 179.5319 0.0000 . 1 . . . . A 23 ALA C . 30995 1 219 . 1 . 1 23 23 ALA CA C 13 56.1106 0.0000 . 1 . . . . A 23 ALA CA . 30995 1 220 . 1 . 1 23 23 ALA CB C 13 18.5277 0.0000 . 1 . . . . A 23 ALA CB . 30995 1 221 . 1 . 1 23 23 ALA N N 15 122.2259 0.0000 . 1 . . . . A 23 ALA N . 30995 1 222 . 1 . 1 24 24 ARG H H 1 7.5654 0.0000 . 1 . . . . A 24 ARG H . 30995 1 223 . 1 . 1 24 24 ARG HA H 1 4.0548 0.0000 . 1 . . . . A 24 ARG HA . 30995 1 224 . 1 . 1 24 24 ARG HB2 H 1 1.8460 0.0000 . 2 . . . . A 24 ARG HB2 . 30995 1 225 . 1 . 1 24 24 ARG HG2 H 1 1.7209 0.0000 . 2 . . . . A 24 ARG HG2 . 30995 1 226 . 1 . 1 24 24 ARG C C 13 179.3012 0.0000 . 1 . . . . A 24 ARG C . 30995 1 227 . 1 . 1 24 24 ARG CA C 13 58.6481 0.0000 . 1 . . . . A 24 ARG CA . 30995 1 228 . 1 . 1 24 24 ARG CB C 13 30.1385 0.0000 . 1 . . . . A 24 ARG CB . 30995 1 229 . 1 . 1 24 24 ARG CG C 13 27.3310 0.0000 . 1 . . . . A 24 ARG CG . 30995 1 230 . 1 . 1 24 24 ARG N N 15 115.2905 0.0000 . 1 . . . . A 24 ARG N . 30995 1 231 . 1 . 1 25 25 ARG H H 1 8.0847 0.0000 . 1 . . . . A 25 ARG H . 30995 1 232 . 1 . 1 25 25 ARG HA H 1 3.8678 0.0000 . 1 . . . . A 25 ARG HA . 30995 1 233 . 1 . 1 25 25 ARG HB2 H 1 1.4335 0.0000 . 2 . . . . A 25 ARG HB2 . 30995 1 234 . 1 . 1 25 25 ARG HG2 H 1 1.6993 0.0000 . 2 . . . . A 25 ARG HG2 . 30995 1 235 . 1 . 1 25 25 ARG HG3 H 1 1.4998 0.0000 . 2 . . . . A 25 ARG HG3 . 30995 1 236 . 1 . 1 25 25 ARG C C 13 177.6502 0.0000 . 1 . . . . A 25 ARG C . 30995 1 237 . 1 . 1 25 25 ARG CA C 13 58.7119 0.0000 . 1 . . . . A 25 ARG CA . 30995 1 238 . 1 . 1 25 25 ARG CB C 13 30.2799 0.0000 . 1 . . . . A 25 ARG CB . 30995 1 239 . 1 . 1 25 25 ARG CG C 13 26.8437 0.0000 . 1 . . . . A 25 ARG CG . 30995 1 240 . 1 . 1 25 25 ARG N N 15 119.1716 0.0000 . 1 . . . . A 25 ARG N . 30995 1 241 . 1 . 1 26 26 PHE H H 1 7.9235 0.0000 . 1 . . . . A 26 PHE H . 30995 1 242 . 1 . 1 26 26 PHE HA H 1 4.4878 0.0000 . 1 . . . . A 26 PHE HA . 30995 1 243 . 1 . 1 26 26 PHE HB2 H 1 3.2802 0.0000 . 2 . . . . A 26 PHE HB2 . 30995 1 244 . 1 . 1 26 26 PHE HB3 H 1 2.5049 0.0000 . 2 . . . . A 26 PHE HB3 . 30995 1 245 . 1 . 1 26 26 PHE HD1 H 1 7.4027 0.0000 . 3 . . . . A 26 PHE HD1 . 30995 1 246 . 1 . 1 26 26 PHE HE1 H 1 7.1379 0.0000 . 3 . . . . A 26 PHE HE1 . 30995 1 247 . 1 . 1 26 26 PHE HZ H 1 6.9273 0.0000 . 1 . . . . A 26 PHE HZ . 30995 1 248 . 1 . 1 26 26 PHE C C 13 173.1936 0.0000 . 1 . . . . A 26 PHE C . 30995 1 249 . 1 . 1 26 26 PHE CA C 13 58.6924 0.0000 . 1 . . . . A 26 PHE CA . 30995 1 250 . 1 . 1 26 26 PHE CB C 13 38.7161 0.0000 . 1 . . . . A 26 PHE CB . 30995 1 251 . 1 . 1 26 26 PHE CD1 C 13 131.6197 0.0000 . 3 . . . . A 26 PHE CD1 . 30995 1 252 . 1 . 1 26 26 PHE CZ C 13 133.2499 0.0000 . 1 . . . . A 26 PHE CZ . 30995 1 253 . 1 . 1 26 26 PHE N N 15 113.4822 0.0000 . 1 . . . . A 26 PHE N . 30995 1 254 . 1 . 1 27 27 ALA H H 1 7.7201 0.0000 . 1 . . . . A 27 ALA H . 30995 1 255 . 1 . 1 27 27 ALA HA H 1 4.0607 0.0000 . 1 . . . . A 27 ALA HA . 30995 1 256 . 1 . 1 27 27 ALA HB1 H 1 1.3329 0.0000 . 1 . . . . A 27 ALA HB1 . 30995 1 257 . 1 . 1 27 27 ALA HB2 H 1 1.3329 0.0000 . 1 . . . . A 27 ALA HB2 . 30995 1 258 . 1 . 1 27 27 ALA HB3 H 1 1.3329 0.0000 . 1 . . . . A 27 ALA HB3 . 30995 1 259 . 1 . 1 27 27 ALA C C 13 175.8380 0.0000 . 1 . . . . A 27 ALA C . 30995 1 260 . 1 . 1 27 27 ALA CA C 13 52.8651 0.0000 . 1 . . . . A 27 ALA CA . 30995 1 261 . 1 . 1 27 27 ALA CB C 13 16.1313 0.0000 . 1 . . . . A 27 ALA CB . 30995 1 262 . 1 . 1 27 27 ALA N N 15 122.5099 0.0000 . 1 . . . . A 27 ALA N . 30995 1 263 . 1 . 1 28 28 LEU H H 1 8.0672 0.0000 . 1 . . . . A 28 LEU H . 30995 1 264 . 1 . 1 28 28 LEU HA H 1 4.0558 0.0000 . 1 . . . . A 28 LEU HA . 30995 1 265 . 1 . 1 28 28 LEU HB2 H 1 1.2597 0.0000 . 2 . . . . A 28 LEU HB2 . 30995 1 266 . 1 . 1 28 28 LEU HG H 1 1.6098 0.0000 . 1 . . . . A 28 LEU HG . 30995 1 267 . 1 . 1 28 28 LEU HD11 H 1 0.6447 0.0000 . 2 . . . . A 28 LEU HD11 . 30995 1 268 . 1 . 1 28 28 LEU HD12 H 1 0.6447 0.0000 . 2 . . . . A 28 LEU HD12 . 30995 1 269 . 1 . 1 28 28 LEU HD13 H 1 0.6447 0.0000 . 2 . . . . A 28 LEU HD13 . 30995 1 270 . 1 . 1 28 28 LEU C C 13 176.1146 0.0000 . 1 . . . . A 28 LEU C . 30995 1 271 . 1 . 1 28 28 LEU CA C 13 52.7183 0.0000 . 1 . . . . A 28 LEU CA . 30995 1 272 . 1 . 1 28 28 LEU CB C 13 47.2006 0.0000 . 1 . . . . A 28 LEU CB . 30995 1 273 . 1 . 1 28 28 LEU CG C 13 26.5271 0.0000 . 1 . . . . A 28 LEU CG . 30995 1 274 . 1 . 1 28 28 LEU CD1 C 13 26.5201 0.0000 . 2 . . . . A 28 LEU CD1 . 30995 1 275 . 1 . 1 28 28 LEU N N 15 118.7172 0.0000 . 1 . . . . A 28 LEU N . 30995 1 276 . 1 . 1 29 29 SER H H 1 8.2307 0.0000 . 1 . . . . A 29 SER H . 30995 1 277 . 1 . 1 29 29 SER HA H 1 4.5208 0.0000 . 1 . . . . A 29 SER HA . 30995 1 278 . 1 . 1 29 29 SER HB2 H 1 4.3072 0.0000 . 2 . . . . A 29 SER HB2 . 30995 1 279 . 1 . 1 29 29 SER HB3 H 1 3.9589 0.0000 . 2 . . . . A 29 SER HB3 . 30995 1 280 . 1 . 1 29 29 SER C C 13 175.5559 0.0000 . 1 . . . . A 29 SER C . 30995 1 281 . 1 . 1 29 29 SER CA C 13 56.9805 0.0000 . 1 . . . . A 29 SER CA . 30995 1 282 . 1 . 1 29 29 SER CB C 13 64.7745 0.0000 . 1 . . . . A 29 SER CB . 30995 1 283 . 1 . 1 29 29 SER N N 15 113.9730 0.0000 . 1 . . . . A 29 SER N . 30995 1 284 . 1 . 1 30 30 GLU H H 1 9.0491 0.0000 . 1 . . . . A 30 GLU H . 30995 1 285 . 1 . 1 30 30 GLU HA H 1 3.6797 0.0000 . 1 . . . . A 30 GLU HA . 30995 1 286 . 1 . 1 30 30 GLU HB2 H 1 1.9024 0.0000 . 2 . . . . A 30 GLU HB2 . 30995 1 287 . 1 . 1 30 30 GLU HG2 H 1 2.4341 0.0000 . 2 . . . . A 30 GLU HG2 . 30995 1 288 . 1 . 1 30 30 GLU HG3 H 1 1.9345 0.0000 . 2 . . . . A 30 GLU HG3 . 30995 1 289 . 1 . 1 30 30 GLU C C 13 178.7395 0.0000 . 1 . . . . A 30 GLU C . 30995 1 290 . 1 . 1 30 30 GLU CA C 13 62.1175 0.0000 . 1 . . . . A 30 GLU CA . 30995 1 291 . 1 . 1 30 30 GLU CB C 13 28.9629 0.0000 . 1 . . . . A 30 GLU CB . 30995 1 292 . 1 . 1 30 30 GLU CG C 13 39.5821 0.0000 . 1 . . . . A 30 GLU CG . 30995 1 293 . 1 . 1 30 30 GLU N N 15 121.3491 0.0000 . 1 . . . . A 30 GLU N . 30995 1 294 . 1 . 1 31 31 ASP H H 1 8.4607 0.0000 . 1 . . . . A 31 ASP H . 30995 1 295 . 1 . 1 31 31 ASP HA H 1 4.4062 0.0000 . 1 . . . . A 31 ASP HA . 30995 1 296 . 1 . 1 31 31 ASP HB2 H 1 2.4635 0.0000 . 2 . . . . A 31 ASP HB2 . 30995 1 297 . 1 . 1 31 31 ASP HB3 H 1 1.9538 0.0000 . 2 . . . . A 31 ASP HB3 . 30995 1 298 . 1 . 1 31 31 ASP C C 13 178.9737 0.0000 . 1 . . . . A 31 ASP C . 30995 1 299 . 1 . 1 31 31 ASP CA C 13 57.1586 0.0000 . 1 . . . . A 31 ASP CA . 30995 1 300 . 1 . 1 31 31 ASP CB C 13 39.9939 0.0000 . 1 . . . . A 31 ASP CB . 30995 1 301 . 1 . 1 31 31 ASP N N 15 117.2769 0.0000 . 1 . . . . A 31 ASP N . 30995 1 302 . 1 . 1 32 32 GLY H H 1 8.1955 0.0000 . 1 . . . . A 32 GLY H . 30995 1 303 . 1 . 1 32 32 GLY HA2 H 1 3.7254 0.0000 . 2 . . . . A 32 GLY HA2 . 30995 1 304 . 1 . 1 32 32 GLY C C 13 176.3582 0.0000 . 1 . . . . A 32 GLY C . 30995 1 305 . 1 . 1 32 32 GLY CA C 13 46.5829 0.0000 . 1 . . . . A 32 GLY CA . 30995 1 306 . 1 . 1 32 32 GLY N N 15 111.5732 0.0000 . 1 . . . . A 32 GLY N . 30995 1 307 . 1 . 1 33 33 ILE H H 1 7.9970 0.0000 . 1 . . . . A 33 ILE H . 30995 1 308 . 1 . 1 33 33 ILE HA H 1 3.6307 0.0000 . 1 . . . . A 33 ILE HA . 30995 1 309 . 1 . 1 33 33 ILE HB H 1 2.3008 0.0000 . 1 . . . . A 33 ILE HB . 30995 1 310 . 1 . 1 33 33 ILE HG12 H 1 1.6181 0.0000 . 2 . . . . A 33 ILE HG12 . 30995 1 311 . 1 . 1 33 33 ILE HG13 H 1 1.2841 0.0000 . 2 . . . . A 33 ILE HG13 . 30995 1 312 . 1 . 1 33 33 ILE HG21 H 1 1.5227 0.0000 . 1 . . . . A 33 ILE HG21 . 30995 1 313 . 1 . 1 33 33 ILE HG22 H 1 1.5227 0.0000 . 1 . . . . A 33 ILE HG22 . 30995 1 314 . 1 . 1 33 33 ILE HG23 H 1 1.5227 0.0000 . 1 . . . . A 33 ILE HG23 . 30995 1 315 . 1 . 1 33 33 ILE HD11 H 1 0.68472 0.0000 . 1 . . . . A 33 ILE HD11 . 30995 1 316 . 1 . 1 33 33 ILE HD12 H 1 0.68472 0.0000 . 1 . . . . A 33 ILE HD12 . 30995 1 317 . 1 . 1 33 33 ILE HD13 H 1 0.68472 0.0000 . 1 . . . . A 33 ILE HD13 . 30995 1 318 . 1 . 1 33 33 ILE C C 13 177.4286 0.0000 . 1 . . . . A 33 ILE C . 30995 1 319 . 1 . 1 33 33 ILE CA C 13 62.1807 0.0000 . 1 . . . . A 33 ILE CA . 30995 1 320 . 1 . 1 33 33 ILE CB C 13 35.4204 0.0000 . 1 . . . . A 33 ILE CB . 30995 1 321 . 1 . 1 33 33 ILE CG1 C 13 26.7265 0.0000 . 1 . . . . A 33 ILE CG1 . 30995 1 322 . 1 . 1 33 33 ILE CG2 C 13 18.0638 0.0000 . 1 . . . . A 33 ILE CG2 . 30995 1 323 . 1 . 1 33 33 ILE N N 15 122.9615 0.0000 . 1 . . . . A 33 ILE N . 30995 1 324 . 1 . 1 34 34 ASP H H 1 7.5416 0.0000 . 1 . . . . A 34 ASP H . 30995 1 325 . 1 . 1 34 34 ASP HA H 1 4.3954 0.0000 . 1 . . . . A 34 ASP HA . 30995 1 326 . 1 . 1 34 34 ASP HB2 H 1 2.7068 0.0000 . 2 . . . . A 34 ASP HB2 . 30995 1 327 . 1 . 1 34 34 ASP C C 13 179.1470 0.0000 . 1 . . . . A 34 ASP C . 30995 1 328 . 1 . 1 34 34 ASP CA C 13 57.5979 0.0000 . 1 . . . . A 34 ASP CA . 30995 1 329 . 1 . 1 34 34 ASP CB C 13 41.1220 0.0000 . 1 . . . . A 34 ASP CB . 30995 1 330 . 1 . 1 34 34 ASP N N 15 118.6671 0.0000 . 1 . . . . A 34 ASP N . 30995 1 331 . 1 . 1 35 35 ALA H H 1 7.9407 0.0000 . 1 . . . . A 35 ALA H . 30995 1 332 . 1 . 1 35 35 ALA HA H 1 4.0806 0.0000 . 1 . . . . A 35 ALA HA . 30995 1 333 . 1 . 1 35 35 ALA HB1 H 1 1.4030 0.0000 . 1 . . . . A 35 ALA HB1 . 30995 1 334 . 1 . 1 35 35 ALA HB2 H 1 1.4030 0.0000 . 1 . . . . A 35 ALA HB2 . 30995 1 335 . 1 . 1 35 35 ALA HB3 H 1 1.4030 0.0000 . 1 . . . . A 35 ALA HB3 . 30995 1 336 . 1 . 1 35 35 ALA C C 13 180.5951 0.0000 . 1 . . . . A 35 ALA C . 30995 1 337 . 1 . 1 35 35 ALA CA C 13 54.9215 0.0000 . 1 . . . . A 35 ALA CA . 30995 1 338 . 1 . 1 35 35 ALA CB C 13 17.9868 0.0000 . 1 . . . . A 35 ALA CB . 30995 1 339 . 1 . 1 35 35 ALA N N 15 119.9174 0.0000 . 1 . . . . A 35 ALA N . 30995 1 340 . 1 . 1 36 36 MET H H 1 7.8488 0.0000 . 1 . . . . A 36 MET H . 30995 1 341 . 1 . 1 36 36 MET HA H 1 4.0720 0.0000 . 1 . . . . A 36 MET HA . 30995 1 342 . 1 . 1 36 36 MET HB2 H 1 1.7905 0.0000 . 2 . . . . A 36 MET HB2 . 30995 1 343 . 1 . 1 36 36 MET HB3 H 1 1.6505 0.0000 . 2 . . . . A 36 MET HB3 . 30995 1 344 . 1 . 1 36 36 MET HG2 H 1 2.4581 0.0000 . 2 . . . . A 36 MET HG2 . 30995 1 345 . 1 . 1 36 36 MET HE1 H 1 1.4207 0.0000 . 1 . . . . A 36 MET HE1 . 30995 1 346 . 1 . 1 36 36 MET HE2 H 1 1.4207 0.0000 . 1 . . . . A 36 MET HE2 . 30995 1 347 . 1 . 1 36 36 MET HE3 H 1 1.4207 0.0000 . 1 . . . . A 36 MET HE3 . 30995 1 348 . 1 . 1 36 36 MET C C 13 177.5969 0.0000 . 1 . . . . A 36 MET C . 30995 1 349 . 1 . 1 36 36 MET CA C 13 58.1454 0.0000 . 1 . . . . A 36 MET CA . 30995 1 350 . 1 . 1 36 36 MET CB C 13 33.2687 0.0000 . 1 . . . . A 36 MET CB . 30995 1 351 . 1 . 1 36 36 MET CG C 13 32.4588 0.0000 . 1 . . . . A 36 MET CG . 30995 1 352 . 1 . 1 36 36 MET CE C 13 15.3707 0.0000 . 1 . . . . A 36 MET CE . 30995 1 353 . 1 . 1 36 36 MET N N 15 117.4935 0.0000 . 1 . . . . A 36 MET N . 30995 1 354 . 1 . 1 37 37 LEU H H 1 7.6864 0.0000 . 1 . . . . A 37 LEU H . 30995 1 355 . 1 . 1 37 37 LEU HA H 1 4.0962 0.0000 . 1 . . . . A 37 LEU HA . 30995 1 356 . 1 . 1 37 37 LEU HB2 H 1 1.4371 0.0000 . 2 . . . . A 37 LEU HB2 . 30995 1 357 . 1 . 1 37 37 LEU HG H 1 1.4353 0.0000 . 1 . . . . A 37 LEU HG . 30995 1 358 . 1 . 1 37 37 LEU C C 13 177.6064 0.0000 . 1 . . . . A 37 LEU C . 30995 1 359 . 1 . 1 37 37 LEU CA C 13 55.3352 0.0000 . 1 . . . . A 37 LEU CA . 30995 1 360 . 1 . 1 37 37 LEU CB C 13 41.3101 0.0000 . 1 . . . . A 37 LEU CB . 30995 1 361 . 1 . 1 37 37 LEU CG C 13 25.8931 0.0000 . 1 . . . . A 37 LEU CG . 30995 1 362 . 1 . 1 37 37 LEU N N 15 115.4742 0.0000 . 1 . . . . A 37 LEU N . 30995 1 363 . 1 . 1 38 38 ALA H H 1 7.3895 0.0000 . 1 . . . . A 38 ALA H . 30995 1 364 . 1 . 1 38 38 ALA HA H 1 4.0080 0.0000 . 1 . . . . A 38 ALA HA . 30995 1 365 . 1 . 1 38 38 ALA HB1 H 1 1.4414 0.0000 . 1 . . . . A 38 ALA HB1 . 30995 1 366 . 1 . 1 38 38 ALA HB2 H 1 1.4414 0.0000 . 1 . . . . A 38 ALA HB2 . 30995 1 367 . 1 . 1 38 38 ALA HB3 H 1 1.4414 0.0000 . 1 . . . . A 38 ALA HB3 . 30995 1 368 . 1 . 1 38 38 ALA C C 13 179.7100 0.0000 . 1 . . . . A 38 ALA C . 30995 1 369 . 1 . 1 38 38 ALA CA C 13 56.1159 0.0000 . 1 . . . . A 38 ALA CA . 30995 1 370 . 1 . 1 38 38 ALA CB C 13 18.5129 0.0000 . 1 . . . . A 38 ALA CB . 30995 1 371 . 1 . 1 38 38 ALA N N 15 121.9517 0.0000 . 1 . . . . A 38 ALA N . 30995 1 372 . 1 . 1 39 39 VAL H H 1 7.8604 0.0000 . 1 . . . . A 39 VAL H . 30995 1 373 . 1 . 1 39 39 VAL HA H 1 3.6831 0.0000 . 1 . . . . A 39 VAL HA . 30995 1 374 . 1 . 1 39 39 VAL HB H 1 1.8041 0.0000 . 1 . . . . A 39 VAL HB . 30995 1 375 . 1 . 1 39 39 VAL HG11 H 1 0.7361 0.0000 . 2 . . . . A 39 VAL HG11 . 30995 1 376 . 1 . 1 39 39 VAL HG12 H 1 0.7361 0.0000 . 2 . . . . A 39 VAL HG12 . 30995 1 377 . 1 . 1 39 39 VAL HG13 H 1 0.7361 0.0000 . 2 . . . . A 39 VAL HG13 . 30995 1 378 . 1 . 1 39 39 VAL HG21 H 1 0.4786 0.0000 . 2 . . . . A 39 VAL HG21 . 30995 1 379 . 1 . 1 39 39 VAL HG22 H 1 0.4786 0.0000 . 2 . . . . A 39 VAL HG22 . 30995 1 380 . 1 . 1 39 39 VAL HG23 H 1 0.4786 0.0000 . 2 . . . . A 39 VAL HG23 . 30995 1 381 . 1 . 1 39 39 VAL C C 13 177.3065 0.0000 . 1 . . . . A 39 VAL C . 30995 1 382 . 1 . 1 39 39 VAL CA C 13 65.7238 0.0000 . 1 . . . . A 39 VAL CA . 30995 1 383 . 1 . 1 39 39 VAL CB C 13 31.0403 0.0000 . 1 . . . . A 39 VAL CB . 30995 1 384 . 1 . 1 39 39 VAL CG1 C 13 21.6684 0.0000 . 2 . . . . A 39 VAL CG1 . 30995 1 385 . 1 . 1 39 39 VAL CG2 C 13 19.8752 0.0000 . 2 . . . . A 39 VAL CG2 . 30995 1 386 . 1 . 1 39 39 VAL N N 15 116.8428 0.0000 . 1 . . . . A 39 VAL N . 30995 1 387 . 1 . 1 40 40 TRP H H 1 7.2669 0.0000 . 1 . . . . A 40 TRP H . 30995 1 388 . 1 . 1 40 40 TRP HA H 1 4.5273 0.0000 . 1 . . . . A 40 TRP HA . 30995 1 389 . 1 . 1 40 40 TRP HB2 H 1 3.1310 0.0000 . 2 . . . . A 40 TRP HB2 . 30995 1 390 . 1 . 1 40 40 TRP HD1 H 1 6.9697 0.0000 . 1 . . . . A 40 TRP HD1 . 30995 1 391 . 1 . 1 40 40 TRP HE1 H 1 10.0981 0.0000 . 1 . . . . A 40 TRP HE1 . 30995 1 392 . 1 . 1 40 40 TRP HZ2 H 1 7.3698 0.0000 . 1 . . . . A 40 TRP HZ2 . 30995 1 393 . 1 . 1 40 40 TRP HH2 H 1 7.2857 0.0000 . 1 . . . . A 40 TRP HH2 . 30995 1 394 . 1 . 1 40 40 TRP C C 13 179.0103 0.0000 . 1 . . . . A 40 TRP C . 30995 1 395 . 1 . 1 40 40 TRP CA C 13 58.8038 0.0000 . 1 . . . . A 40 TRP CA . 30995 1 396 . 1 . 1 40 40 TRP CB C 13 29.8015 0.0000 . 1 . . . . A 40 TRP CB . 30995 1 397 . 1 . 1 40 40 TRP CZ2 C 13 115.2097 0.0000 . 1 . . . . A 40 TRP CZ2 . 30995 1 398 . 1 . 1 40 40 TRP CH2 C 13 125.5618 0.0000 . 1 . . . . A 40 TRP CH2 . 30995 1 399 . 1 . 1 40 40 TRP N N 15 120.4659 0.0000 . 1 . . . . A 40 TRP N . 30995 1 400 . 1 . 1 40 40 TRP NE1 N 15 128.6086 0.0000 . 1 . . . . A 40 TRP NE1 . 30995 1 401 . 1 . 1 41 41 ILE H H 1 8.1371 0.0000 . 1 . . . . A 41 ILE H . 30995 1 402 . 1 . 1 41 41 ILE HA H 1 4.4150 0.0000 . 1 . . . . A 41 ILE HA . 30995 1 403 . 1 . 1 41 41 ILE HB H 1 1.8928 0.0000 . 1 . . . . A 41 ILE HB . 30995 1 404 . 1 . 1 41 41 ILE HG12 H 1 1.6965 0.0000 . 2 . . . . A 41 ILE HG12 . 30995 1 405 . 1 . 1 41 41 ILE HG13 H 1 0.8894 0.0000 . 2 . . . . A 41 ILE HG13 . 30995 1 406 . 1 . 1 41 41 ILE HG21 H 1 1.1451 0.0000 . 1 . . . . A 41 ILE HG21 . 30995 1 407 . 1 . 1 41 41 ILE HG22 H 1 1.1451 0.0000 . 1 . . . . A 41 ILE HG22 . 30995 1 408 . 1 . 1 41 41 ILE HG23 H 1 1.1451 0.0000 . 1 . . . . A 41 ILE HG23 . 30995 1 409 . 1 . 1 41 41 ILE HD11 H 1 0.8825 0.0000 . 1 . . . . A 41 ILE HD11 . 30995 1 410 . 1 . 1 41 41 ILE HD12 H 1 0.8825 0.0000 . 1 . . . . A 41 ILE HD12 . 30995 1 411 . 1 . 1 41 41 ILE HD13 H 1 0.8825 0.0000 . 1 . . . . A 41 ILE HD13 . 30995 1 412 . 1 . 1 41 41 ILE C C 13 180.3662 0.0000 . 1 . . . . A 41 ILE C . 30995 1 413 . 1 . 1 41 41 ILE CA C 13 64.1369 0.0000 . 1 . . . . A 41 ILE CA . 30995 1 414 . 1 . 1 41 41 ILE CB C 13 38.3882 0.0000 . 1 . . . . A 41 ILE CB . 30995 1 415 . 1 . 1 41 41 ILE CG1 C 13 29.1536 0.0000 . 1 . . . . A 41 ILE CG1 . 30995 1 416 . 1 . 1 41 41 ILE CG2 C 13 17.3208 0.0000 . 1 . . . . A 41 ILE CG2 . 30995 1 417 . 1 . 1 41 41 ILE CD1 C 13 14.2518 0.0000 . 1 . . . . A 41 ILE CD1 . 30995 1 418 . 1 . 1 41 41 ILE N N 15 122.3044 0.0000 . 1 . . . . A 41 ILE N . 30995 1 419 . 1 . 1 42 42 LYS H H 1 8.4140 0.0000 . 1 . . . . A 42 LYS H . 30995 1 420 . 1 . 1 42 42 LYS HA H 1 4.0753 0.0000 . 1 . . . . A 42 LYS HA . 30995 1 421 . 1 . 1 42 42 LYS HB2 H 1 1.8955 0.0000 . 2 . . . . A 42 LYS HB2 . 30995 1 422 . 1 . 1 42 42 LYS HG2 H 1 1.4842 0.0000 . 2 . . . . A 42 LYS HG2 . 30995 1 423 . 1 . 1 42 42 LYS HD2 H 1 1.4659 0.0000 . 2 . . . . A 42 LYS HD2 . 30995 1 424 . 1 . 1 42 42 LYS HE2 H 1 2.9856 0.0000 . 2 . . . . A 42 LYS HE2 . 30995 1 425 . 1 . 1 42 42 LYS HE3 H 1 2.7565 0.0000 . 2 . . . . A 42 LYS HE3 . 30995 1 426 . 1 . 1 42 42 LYS C C 13 178.7932 0.0000 . 1 . . . . A 42 LYS C . 30995 1 427 . 1 . 1 42 42 LYS CA C 13 59.3675 0.0000 . 1 . . . . A 42 LYS CA . 30995 1 428 . 1 . 1 42 42 LYS CB C 13 32.0636 0.0000 . 1 . . . . A 42 LYS CB . 30995 1 429 . 1 . 1 42 42 LYS CG C 13 25.2458 0.0000 . 1 . . . . A 42 LYS CG . 30995 1 430 . 1 . 1 42 42 LYS CD C 13 31.5889 0.0000 . 1 . . . . A 42 LYS CD . 30995 1 431 . 1 . 1 42 42 LYS CE C 13 43.6624 0.0000 . 1 . . . . A 42 LYS CE . 30995 1 432 . 1 . 1 42 42 LYS N N 15 122.5572 0.0000 . 1 . . . . A 42 LYS N . 30995 1 433 . 1 . 1 43 43 LYS H H 1 7.7187 0.0000 . 1 . . . . A 43 LYS H . 30995 1 434 . 1 . 1 43 43 LYS HA H 1 4.2865 0.0000 . 1 . . . . A 43 LYS HA . 30995 1 435 . 1 . 1 43 43 LYS HB2 H 1 1.8982 0.0000 . 2 . . . . A 43 LYS HB2 . 30995 1 436 . 1 . 1 43 43 LYS HB3 H 1 1.2734 0.0000 . 2 . . . . A 43 LYS HB3 . 30995 1 437 . 1 . 1 43 43 LYS HG2 H 1 1.5696 0.0000 . 2 . . . . A 43 LYS HG2 . 30995 1 438 . 1 . 1 43 43 LYS HG3 H 1 1.2450 0.0000 . 2 . . . . A 43 LYS HG3 . 30995 1 439 . 1 . 1 43 43 LYS HD2 H 1 1.4694 0.0000 . 2 . . . . A 43 LYS HD2 . 30995 1 440 . 1 . 1 43 43 LYS HE2 H 1 2.5032 0.0000 . 2 . . . . A 43 LYS HE2 . 30995 1 441 . 1 . 1 43 43 LYS C C 13 176.8824 0.0000 . 1 . . . . A 43 LYS C . 30995 1 442 . 1 . 1 43 43 LYS CA C 13 56.9870 0.0000 . 1 . . . . A 43 LYS CA . 30995 1 443 . 1 . 1 43 43 LYS CB C 13 33.7632 0.0000 . 1 . . . . A 43 LYS CB . 30995 1 444 . 1 . 1 43 43 LYS CG C 13 25.6247 0.0000 . 1 . . . . A 43 LYS CG . 30995 1 445 . 1 . 1 43 43 LYS CD C 13 30.1414 0.0000 . 1 . . . . A 43 LYS CD . 30995 1 446 . 1 . 1 43 43 LYS CE C 13 40.0954 0.0000 . 1 . . . . A 43 LYS CE . 30995 1 447 . 1 . 1 43 43 LYS N N 15 114.9972 0.0000 . 1 . . . . A 43 LYS N . 30995 1 448 . 1 . 1 44 44 GLY H H 1 7.8519 0.0000 . 1 . . . . A 44 GLY H . 30995 1 449 . 1 . 1 44 44 GLY HA2 H 1 4.2218 0.0000 . 2 . . . . A 44 GLY HA2 . 30995 1 450 . 1 . 1 44 44 GLY HA3 H 1 3.8601 0.0000 . 2 . . . . A 44 GLY HA3 . 30995 1 451 . 1 . 1 44 44 GLY C C 13 174.8498 0.0000 . 1 . . . . A 44 GLY C . 30995 1 452 . 1 . 1 44 44 GLY CA C 13 45.4746 0.0000 . 1 . . . . A 44 GLY CA . 30995 1 453 . 1 . 1 44 44 GLY N N 15 106.4925 0.0000 . 1 . . . . A 44 GLY N . 30995 1 454 . 1 . 1 45 45 VAL H H 1 7.8367 0.0000 . 1 . . . . A 45 VAL H . 30995 1 455 . 1 . 1 45 45 VAL HA H 1 3.9478 0.0000 . 1 . . . . A 45 VAL HA . 30995 1 456 . 1 . 1 45 45 VAL HB H 1 2.0146 0.0000 . 1 . . . . A 45 VAL HB . 30995 1 457 . 1 . 1 45 45 VAL HG11 H 1 0.9489 0.0000 . 2 . . . . A 45 VAL HG11 . 30995 1 458 . 1 . 1 45 45 VAL HG12 H 1 0.9489 0.0000 . 2 . . . . A 45 VAL HG12 . 30995 1 459 . 1 . 1 45 45 VAL HG13 H 1 0.9489 0.0000 . 2 . . . . A 45 VAL HG13 . 30995 1 460 . 1 . 1 45 45 VAL HG21 H 1 0.6209 0.0000 . 2 . . . . A 45 VAL HG21 . 30995 1 461 . 1 . 1 45 45 VAL HG22 H 1 0.6209 0.0000 . 2 . . . . A 45 VAL HG22 . 30995 1 462 . 1 . 1 45 45 VAL HG23 H 1 0.6209 0.0000 . 2 . . . . A 45 VAL HG23 . 30995 1 463 . 1 . 1 45 45 VAL C C 13 175.1143 0.0000 . 1 . . . . A 45 VAL C . 30995 1 464 . 1 . 1 45 45 VAL CA C 13 64.1096 0.0000 . 1 . . . . A 45 VAL CA . 30995 1 465 . 1 . 1 45 45 VAL CB C 13 33.0637 0.0000 . 1 . . . . A 45 VAL CB . 30995 1 466 . 1 . 1 45 45 VAL CG1 C 13 21.7584 0.0000 . 2 . . . . A 45 VAL CG1 . 30995 1 467 . 1 . 1 45 45 VAL CG2 C 13 20.6308 0.0000 . 2 . . . . A 45 VAL CG2 . 30995 1 468 . 1 . 1 45 45 VAL N N 15 118.6381 0.0000 . 1 . . . . A 45 VAL N . 30995 1 469 . 1 . 1 46 46 LEU H H 1 7.0229 0.0000 . 1 . . . . A 46 LEU H . 30995 1 470 . 1 . 1 46 46 LEU HA H 1 5.0307 0.0000 . 1 . . . . A 46 LEU HA . 30995 1 471 . 1 . 1 46 46 LEU HB2 H 1 1.4001 0.0000 . 2 . . . . A 46 LEU HB2 . 30995 1 472 . 1 . 1 46 46 LEU HG H 1 1.4522 0.0000 . 1 . . . . A 46 LEU HG . 30995 1 473 . 1 . 1 46 46 LEU C C 13 175.2103 0.0000 . 1 . . . . A 46 LEU C . 30995 1 474 . 1 . 1 46 46 LEU CA C 13 52.5800 0.0000 . 1 . . . . A 46 LEU CA . 30995 1 475 . 1 . 1 46 46 LEU CB C 13 46.8340 0.0000 . 1 . . . . A 46 LEU CB . 30995 1 476 . 1 . 1 46 46 LEU CG C 13 26.5701 0.0000 . 1 . . . . A 46 LEU CG . 30995 1 477 . 1 . 1 46 46 LEU N N 15 116.3495 0.0000 . 1 . . . . A 46 LEU N . 30995 1 478 . 1 . 1 47 47 SER H H 1 9.0705 0.0000 . 1 . . . . A 47 SER H . 30995 1 479 . 1 . 1 47 47 SER HA H 1 4.9365 0.0000 . 1 . . . . A 47 SER HA . 30995 1 480 . 1 . 1 47 47 SER HB2 H 1 3.6814 0.0000 . 2 . . . . A 47 SER HB2 . 30995 1 481 . 1 . 1 47 47 SER C C 13 172.2014 0.0000 . 1 . . . . A 47 SER C . 30995 1 482 . 1 . 1 47 47 SER CA C 13 57.6218 0.0000 . 1 . . . . A 47 SER CA . 30995 1 483 . 1 . 1 47 47 SER CB C 13 65.1670 0.0000 . 1 . . . . A 47 SER CB . 30995 1 484 . 1 . 1 47 47 SER N N 15 116.3876 0.0000 . 1 . . . . A 47 SER N . 30995 1 485 . 1 . 1 48 48 ARG H H 1 8.8377 0.0000 . 1 . . . . A 48 ARG H . 30995 1 486 . 1 . 1 48 48 ARG HA H 1 4.8632 0.0000 . 1 . . . . A 48 ARG HA . 30995 1 487 . 1 . 1 48 48 ARG HB2 H 1 1.7780 0.0000 . 2 . . . . A 48 ARG HB2 . 30995 1 488 . 1 . 1 48 48 ARG HB3 H 1 1.4316 0.0000 . 2 . . . . A 48 ARG HB3 . 30995 1 489 . 1 . 1 48 48 ARG HG2 H 1 1.2244 0.0000 . 2 . . . . A 48 ARG HG2 . 30995 1 490 . 1 . 1 48 48 ARG C C 13 174.8926 0.0000 . 1 . . . . A 48 ARG C . 30995 1 491 . 1 . 1 48 48 ARG CA C 13 54.7418 0.0000 . 1 . . . . A 48 ARG CA . 30995 1 492 . 1 . 1 48 48 ARG CB C 13 32.9913 0.0000 . 1 . . . . A 48 ARG CB . 30995 1 493 . 1 . 1 48 48 ARG CG C 13 28.2638 0.0000 . 1 . . . . A 48 ARG CG . 30995 1 494 . 1 . 1 48 48 ARG N N 15 125.5954 0.0000 . 1 . . . . A 48 ARG N . 30995 1 495 . 1 . 1 49 49 GLN H H 1 9.1713 0.0000 . 1 . . . . A 49 GLN H . 30995 1 496 . 1 . 1 49 49 GLN HA H 1 5.5543 0.0000 . 1 . . . . A 49 GLN HA . 30995 1 497 . 1 . 1 49 49 GLN HB2 H 1 1.8055 0.0000 . 2 . . . . A 49 GLN HB2 . 30995 1 498 . 1 . 1 49 49 GLN HG2 H 1 2.0939 0.0000 . 2 . . . . A 49 GLN HG2 . 30995 1 499 . 1 . 1 49 49 GLN HE21 H 1 7.4205 0.0000 . 2 . . . . A 49 GLN HE21 . 30995 1 500 . 1 . 1 49 49 GLN HE22 H 1 6.7099 0.0000 . 2 . . . . A 49 GLN HE22 . 30995 1 501 . 1 . 1 49 49 GLN C C 13 174.4266 0.0000 . 1 . . . . A 49 GLN C . 30995 1 502 . 1 . 1 49 49 GLN CA C 13 54.3810 0.0000 . 1 . . . . A 49 GLN CA . 30995 1 503 . 1 . 1 49 49 GLN CB C 13 31.2886 0.0000 . 1 . . . . A 49 GLN CB . 30995 1 504 . 1 . 1 49 49 GLN CG C 13 33.4572 0.0000 . 1 . . . . A 49 GLN CG . 30995 1 505 . 1 . 1 49 49 GLN N N 15 126.8658 0.0000 . 1 . . . . A 49 GLN N . 30995 1 506 . 1 . 1 49 49 GLN NE2 N 15 111.0198 0.0000 . 1 . . . . A 49 GLN NE2 . 30995 1 507 . 1 . 1 50 50 GLN H H 1 8.6540 0.0000 . 1 . . . . A 50 GLN H . 30995 1 508 . 1 . 1 50 50 GLN HA H 1 5.2616 0.0000 . 1 . . . . A 50 GLN HA . 30995 1 509 . 1 . 1 50 50 GLN HB2 H 1 1.8055 0.0000 . 2 . . . . A 50 GLN HB2 . 30995 1 510 . 1 . 1 50 50 GLN HG2 H 1 2.0824 0.0000 . 2 . . . . A 50 GLN HG2 . 30995 1 511 . 1 . 1 50 50 GLN HE21 H 1 7.3322 0.0000 . 2 . . . . A 50 GLN HE21 . 30995 1 512 . 1 . 1 50 50 GLN HE22 H 1 6.8658 0.0000 . 2 . . . . A 50 GLN HE22 . 30995 1 513 . 1 . 1 50 50 GLN C C 13 175.0753 0.0000 . 1 . . . . A 50 GLN C . 30995 1 514 . 1 . 1 50 50 GLN CA C 13 54.4608 0.0000 . 1 . . . . A 50 GLN CA . 30995 1 515 . 1 . 1 50 50 GLN CB C 13 31.0742 0.0000 . 1 . . . . A 50 GLN CB . 30995 1 516 . 1 . 1 50 50 GLN CG C 13 34.7358 0.0000 . 1 . . . . A 50 GLN CG . 30995 1 517 . 1 . 1 50 50 GLN CD C 13 179.8816 0.0000 . 1 . . . . A 50 GLN CD . 30995 1 518 . 1 . 1 50 50 GLN N N 15 122.8660 0.0000 . 1 . . . . A 50 GLN N . 30995 1 519 . 1 . 1 50 50 GLN NE2 N 15 111.8298 0.0000 . 1 . . . . A 50 GLN NE2 . 30995 1 520 . 1 . 1 51 51 TYR H H 1 8.8937 0.0000 . 1 . . . . A 51 TYR H . 30995 1 521 . 1 . 1 51 51 TYR HA H 1 4.8985 0.0000 . 1 . . . . A 51 TYR HA . 30995 1 522 . 1 . 1 51 51 TYR HB2 H 1 2.8321 0.0000 . 2 . . . . A 51 TYR HB2 . 30995 1 523 . 1 . 1 51 51 TYR HD1 H 1 6.7656 0.0000 . 3 . . . . A 51 TYR HD1 . 30995 1 524 . 1 . 1 51 51 TYR HE1 H 1 6.6674 0.0000 . 3 . . . . A 51 TYR HE1 . 30995 1 525 . 1 . 1 51 51 TYR C C 13 172.2113 0.0000 . 1 . . . . A 51 TYR C . 30995 1 526 . 1 . 1 51 51 TYR CA C 13 56.3896 0.0000 . 1 . . . . A 51 TYR CA . 30995 1 527 . 1 . 1 51 51 TYR CB C 13 40.4025 0.0000 . 1 . . . . A 51 TYR CB . 30995 1 528 . 1 . 1 51 51 TYR CD1 C 13 133.3733 0.0000 . 3 . . . . A 51 TYR CD1 . 30995 1 529 . 1 . 1 51 51 TYR CE1 C 13 118.4024 0.0000 . 3 . . . . A 51 TYR CE1 . 30995 1 530 . 1 . 1 51 51 TYR N N 15 122.8730 0.0000 . 1 . . . . A 51 TYR N . 30995 1 531 . 1 . 1 52 52 ILE H H 1 8.3039 0.0000 . 1 . . . . A 52 ILE H . 30995 1 532 . 1 . 1 52 52 ILE HA H 1 4.4078 0.0000 . 1 . . . . A 52 ILE HA . 30995 1 533 . 1 . 1 52 52 ILE HB H 1 1.6203 0.0000 . 1 . . . . A 52 ILE HB . 30995 1 534 . 1 . 1 52 52 ILE HG12 H 1 1.3360 0.0000 . 2 . . . . A 52 ILE HG12 . 30995 1 535 . 1 . 1 52 52 ILE HG13 H 1 0.8716 0.0000 . 2 . . . . A 52 ILE HG13 . 30995 1 536 . 1 . 1 52 52 ILE HG21 H 1 0.6817 0.0000 . 1 . . . . A 52 ILE HG21 . 30995 1 537 . 1 . 1 52 52 ILE HG22 H 1 0.6817 0.0000 . 1 . . . . A 52 ILE HG22 . 30995 1 538 . 1 . 1 52 52 ILE HG23 H 1 0.6817 0.0000 . 1 . . . . A 52 ILE HG23 . 30995 1 539 . 1 . 1 52 52 ILE HD11 H 1 0.6535 0.0000 . 1 . . . . A 52 ILE HD11 . 30995 1 540 . 1 . 1 52 52 ILE HD12 H 1 0.6535 0.0000 . 1 . . . . A 52 ILE HD12 . 30995 1 541 . 1 . 1 52 52 ILE HD13 H 1 0.6535 0.0000 . 1 . . . . A 52 ILE HD13 . 30995 1 542 . 1 . 1 52 52 ILE C C 13 175.8969 0.0000 . 1 . . . . A 52 ILE C . 30995 1 543 . 1 . 1 52 52 ILE CA C 13 59.9509 0.0000 . 1 . . . . A 52 ILE CA . 30995 1 544 . 1 . 1 52 52 ILE CB C 13 40.4796 0.0000 . 1 . . . . A 52 ILE CB . 30995 1 545 . 1 . 1 52 52 ILE CG1 C 13 27.2479 0.0000 . 1 . . . . A 52 ILE CG1 . 30995 1 546 . 1 . 1 52 52 ILE CG2 C 13 17.3377 0.0000 . 1 . . . . A 52 ILE CG2 . 30995 1 547 . 1 . 1 52 52 ILE CD1 C 13 13.5117 0.0000 . 1 . . . . A 52 ILE CD1 . 30995 1 548 . 1 . 1 52 52 ILE N N 15 119.7339 0.0000 . 1 . . . . A 52 ILE N . 30995 1 549 . 1 . 1 53 53 ASN H H 1 8.9248 0.0000 . 1 . . . . A 53 ASN H . 30995 1 550 . 1 . 1 53 53 ASN HD21 H 1 7.8017 0.0000 . 2 . . . . A 53 ASN HD21 . 30995 1 551 . 1 . 1 53 53 ASN HD22 H 1 7.1184 0.0000 . 2 . . . . A 53 ASN HD22 . 30995 1 552 . 1 . 1 53 53 ASN C C 13 175.4014 0.0000 . 1 . . . . A 53 ASN C . 30995 1 553 . 1 . 1 53 53 ASN CA C 13 52.3762 0.0000 . 1 . . . . A 53 ASN CA . 30995 1 554 . 1 . 1 53 53 ASN CB C 13 39.7972 0.0000 . 1 . . . . A 53 ASN CB . 30995 1 555 . 1 . 1 53 53 ASN N N 15 126.4253 0.0000 . 1 . . . . A 53 ASN N . 30995 1 556 . 1 . 1 53 53 ASN ND2 N 15 113.3496 0.0000 . 1 . . . . A 53 ASN ND2 . 30995 1 557 . 1 . 1 54 54 ALA H H 1 8.5030 0.0000 . 1 . . . . A 54 ALA H . 30995 1 558 . 1 . 1 54 54 ALA HA H 1 4.0861 0.0000 . 1 . . . . A 54 ALA HA . 30995 1 559 . 1 . 1 54 54 ALA HB1 H 1 1.3488 0.0000 . 1 . . . . A 54 ALA HB1 . 30995 1 560 . 1 . 1 54 54 ALA HB2 H 1 1.3488 0.0000 . 1 . . . . A 54 ALA HB2 . 30995 1 561 . 1 . 1 54 54 ALA HB3 H 1 1.3488 0.0000 . 1 . . . . A 54 ALA HB3 . 30995 1 562 . 1 . 1 54 54 ALA C C 13 178.6446 0.0000 . 1 . . . . A 54 ALA C . 30995 1 563 . 1 . 1 54 54 ALA CA C 13 54.2919 0.0000 . 1 . . . . A 54 ALA CA . 30995 1 564 . 1 . 1 54 54 ALA CB C 13 18.8432 0.0000 . 1 . . . . A 54 ALA CB . 30995 1 565 . 1 . 1 54 54 ALA N N 15 124.4003 0.0000 . 1 . . . . A 54 ALA N . 30995 1 566 . 1 . 1 55 55 GLU H H 1 8.3752 0.0000 . 1 . . . . A 55 GLU H . 30995 1 567 . 1 . 1 55 55 GLU HA H 1 4.0550 0.0000 . 1 . . . . A 55 GLU HA . 30995 1 568 . 1 . 1 55 55 GLU HB2 H 1 1.9870 0.0000 . 2 . . . . A 55 GLU HB2 . 30995 1 569 . 1 . 1 55 55 GLU HG2 H 1 2.1841 0.0000 . 2 . . . . A 55 GLU HG2 . 30995 1 570 . 1 . 1 55 55 GLU C C 13 176.2085 0.0000 . 1 . . . . A 55 GLU C . 30995 1 571 . 1 . 1 55 55 GLU CA C 13 57.9841 0.0000 . 1 . . . . A 55 GLU CA . 30995 1 572 . 1 . 1 55 55 GLU CB C 13 29.4384 0.0000 . 1 . . . . A 55 GLU CB . 30995 1 573 . 1 . 1 55 55 GLU CG C 13 36.3621 0.0000 . 1 . . . . A 55 GLU CG . 30995 1 574 . 1 . 1 55 55 GLU N N 15 115.3964 0.0000 . 1 . . . . A 55 GLU N . 30995 1 575 . 1 . 1 56 56 ASP H H 1 7.6923 0.0000 . 1 . . . . A 56 ASP H . 30995 1 576 . 1 . 1 56 56 ASP HA H 1 4.6009 0.0000 . 1 . . . . A 56 ASP HA . 30995 1 577 . 1 . 1 56 56 ASP HB2 H 1 2.6967 0.0000 . 2 . . . . A 56 ASP HB2 . 30995 1 578 . 1 . 1 56 56 ASP C C 13 175.2397 0.0000 . 1 . . . . A 56 ASP C . 30995 1 579 . 1 . 1 56 56 ASP CA C 13 53.8322 0.0000 . 1 . . . . A 56 ASP CA . 30995 1 580 . 1 . 1 56 56 ASP CB C 13 41.4309 0.0000 . 1 . . . . A 56 ASP CB . 30995 1 581 . 1 . 1 56 56 ASP N N 15 115.9851 0.0000 . 1 . . . . A 56 ASP N . 30995 1 582 . 1 . 1 57 57 GLU H H 1 8.2230 0.0000 . 1 . . . . A 57 GLU H . 30995 1 583 . 1 . 1 57 57 GLU HA H 1 4.0563 0.0000 . 1 . . . . A 57 GLU HA . 30995 1 584 . 1 . 1 57 57 GLU HB2 H 1 1.9139 0.0000 . 2 . . . . A 57 GLU HB2 . 30995 1 585 . 1 . 1 57 57 GLU HG2 H 1 2.1245 0.0000 . 2 . . . . A 57 GLU HG2 . 30995 1 586 . 1 . 1 57 57 GLU C C 13 175.6508 0.0000 . 1 . . . . A 57 GLU C . 30995 1 587 . 1 . 1 57 57 GLU CA C 13 56.7188 0.0000 . 1 . . . . A 57 GLU CA . 30995 1 588 . 1 . 1 57 57 GLU CB C 13 28.8158 0.0000 . 1 . . . . A 57 GLU CB . 30995 1 589 . 1 . 1 57 57 GLU CG C 13 36.5153 0.0000 . 1 . . . . A 57 GLU CG . 30995 1 590 . 1 . 1 57 57 GLU N N 15 116.1686 0.0000 . 1 . . . . A 57 GLU N . 30995 1 591 . 1 . 1 58 58 VAL H H 1 7.8254 0.0000 . 1 . . . . A 58 VAL H . 30995 1 592 . 1 . 1 58 58 VAL HA H 1 3.9578 0.0000 . 1 . . . . A 58 VAL HA . 30995 1 593 . 1 . 1 58 58 VAL HB H 1 1.8107 0.0000 . 1 . . . . A 58 VAL HB . 30995 1 594 . 1 . 1 58 58 VAL HG11 H 1 0.8115 0.0000 . 2 . . . . A 58 VAL HG11 . 30995 1 595 . 1 . 1 58 58 VAL HG12 H 1 0.8115 0.0000 . 2 . . . . A 58 VAL HG12 . 30995 1 596 . 1 . 1 58 58 VAL HG13 H 1 0.8115 0.0000 . 2 . . . . A 58 VAL HG13 . 30995 1 597 . 1 . 1 58 58 VAL HG21 H 1 0.4921 0.0000 . 2 . . . . A 58 VAL HG21 . 30995 1 598 . 1 . 1 58 58 VAL HG22 H 1 0.4921 0.0000 . 2 . . . . A 58 VAL HG22 . 30995 1 599 . 1 . 1 58 58 VAL HG23 H 1 0.4921 0.0000 . 2 . . . . A 58 VAL HG23 . 30995 1 600 . 1 . 1 58 58 VAL C C 13 175.8666 0.0000 . 1 . . . . A 58 VAL C . 30995 1 601 . 1 . 1 58 58 VAL CA C 13 62.3210 0.0000 . 1 . . . . A 58 VAL CA . 30995 1 602 . 1 . 1 58 58 VAL CB C 13 32.6320 0.0000 . 1 . . . . A 58 VAL CB . 30995 1 603 . 1 . 1 58 58 VAL CG1 C 13 22.2603 0.0000 . 2 . . . . A 58 VAL CG1 . 30995 1 604 . 1 . 1 58 58 VAL CG2 C 13 21.5478 0.0000 . 2 . . . . A 58 VAL CG2 . 30995 1 605 . 1 . 1 58 58 VAL N N 15 120.6980 0.0000 . 1 . . . . A 58 VAL N . 30995 1 606 . 1 . 1 59 59 VAL H H 1 8.3659 0.0000 . 1 . . . . A 59 VAL H . 30995 1 607 . 1 . 1 59 59 VAL HA H 1 3.9051 0.0000 . 1 . . . . A 59 VAL HA . 30995 1 608 . 1 . 1 59 59 VAL HB H 1 1.8163 0.0000 . 1 . . . . A 59 VAL HB . 30995 1 609 . 1 . 1 59 59 VAL HG21 H 1 0.7678 0.0000 . 2 . . . . A 59 VAL HG21 . 30995 1 610 . 1 . 1 59 59 VAL HG22 H 1 0.7678 0.0000 . 2 . . . . A 59 VAL HG22 . 30995 1 611 . 1 . 1 59 59 VAL HG23 H 1 0.7678 0.0000 . 2 . . . . A 59 VAL HG23 . 30995 1 612 . 1 . 1 59 59 VAL C C 13 175.5509 0.0000 . 1 . . . . A 59 VAL C . 30995 1 613 . 1 . 1 59 59 VAL CA C 13 63.2654 0.0000 . 1 . . . . A 59 VAL CA . 30995 1 614 . 1 . 1 59 59 VAL CB C 13 31.6066 0.0000 . 1 . . . . A 59 VAL CB . 30995 1 615 . 1 . 1 59 59 VAL CG2 C 13 21.0989 0.0000 . 2 . . . . A 59 VAL CG2 . 30995 1 616 . 1 . 1 59 59 VAL N N 15 126.7159 0.0000 . 1 . . . . A 59 VAL N . 30995 1 617 . 1 . 1 60 60 ARG H H 1 8.1486 0.0000 . 1 . . . . A 60 ARG H . 30995 1 618 . 1 . 1 60 60 ARG N N 15 120.8037 0.0000 . 1 . . . . A 60 ARG N . 30995 1 619 . 1 . 1 61 61 VAL HA H 1 4.9906 0.0000 . 1 . . . . A 61 VAL HA . 30995 1 620 . 1 . 1 61 61 VAL HG11 H 1 0.6475 0.0000 . 2 . . . . A 61 VAL HG11 . 30995 1 621 . 1 . 1 61 61 VAL HG12 H 1 0.6475 0.0000 . 2 . . . . A 61 VAL HG12 . 30995 1 622 . 1 . 1 61 61 VAL HG13 H 1 0.6475 0.0000 . 2 . . . . A 61 VAL HG13 . 30995 1 623 . 1 . 1 61 61 VAL HG21 H 1 0.3965 0.0000 . 2 . . . . A 61 VAL HG21 . 30995 1 624 . 1 . 1 61 61 VAL HG22 H 1 0.3965 0.0000 . 2 . . . . A 61 VAL HG22 . 30995 1 625 . 1 . 1 61 61 VAL HG23 H 1 0.3965 0.0000 . 2 . . . . A 61 VAL HG23 . 30995 1 626 . 1 . 1 61 61 VAL C C 13 174.9602 0.0000 . 1 . . . . A 61 VAL C . 30995 1 627 . 1 . 1 61 61 VAL CA C 13 61.1020 0.0000 . 1 . . . . A 61 VAL CA . 30995 1 628 . 1 . 1 61 61 VAL CB C 13 35.2303 0.0000 . 1 . . . . A 61 VAL CB . 30995 1 629 . 1 . 1 61 61 VAL CG1 C 13 21.0540 0.0000 . 2 . . . . A 61 VAL CG1 . 30995 1 630 . 1 . 1 61 61 VAL CG2 C 13 22.0347 0.0000 . 2 . . . . A 61 VAL CG2 . 30995 1 631 . 1 . 1 62 62 ARG H H 1 9.0956 0.0000 . 1 . . . . A 62 ARG H . 30995 1 632 . 1 . 1 62 62 ARG HA H 1 5.2869 0.0000 . 1 . . . . A 62 ARG HA . 30995 1 633 . 1 . 1 62 62 ARG HB2 H 1 1.6380 0.0000 . 2 . . . . A 62 ARG HB2 . 30995 1 634 . 1 . 1 62 62 ARG HG2 H 1 1.3015 0.0000 . 2 . . . . A 62 ARG HG2 . 30995 1 635 . 1 . 1 62 62 ARG HD2 H 1 2.9272 0.0000 . 2 . . . . A 62 ARG HD2 . 30995 1 636 . 1 . 1 62 62 ARG C C 13 172.3867 0.0000 . 1 . . . . A 62 ARG C . 30995 1 637 . 1 . 1 62 62 ARG CA C 13 54.0558 0.0000 . 1 . . . . A 62 ARG CA . 30995 1 638 . 1 . 1 62 62 ARG CB C 13 34.1980 0.0000 . 1 . . . . A 62 ARG CB . 30995 1 639 . 1 . 1 62 62 ARG CG C 13 27.2474 0.0000 . 1 . . . . A 62 ARG CG . 30995 1 640 . 1 . 1 62 62 ARG CD C 13 43.8009 0.0000 . 1 . . . . A 62 ARG CD . 30995 1 641 . 1 . 1 62 62 ARG N N 15 126.4876 0.0000 . 1 . . . . A 62 ARG N . 30995 1 642 . 1 . 1 63 63 TYR H H 1 8.6970 0.0000 . 1 . . . . A 63 TYR H . 30995 1 643 . 1 . 1 63 63 TYR HA H 1 5.5539 0.0000 . 1 . . . . A 63 TYR HA . 30995 1 644 . 1 . 1 63 63 TYR HB2 H 1 2.6464 0.0000 . 2 . . . . A 63 TYR HB2 . 30995 1 645 . 1 . 1 63 63 TYR HB3 H 1 1.7514 0.0000 . 2 . . . . A 63 TYR HB3 . 30995 1 646 . 1 . 1 63 63 TYR HD1 H 1 6.7913 0.0000 . 3 . . . . A 63 TYR HD1 . 30995 1 647 . 1 . 1 63 63 TYR HD2 H 1 6.9105 0.0000 . 3 . . . . A 63 TYR HD2 . 30995 1 648 . 1 . 1 63 63 TYR HE1 H 1 6.3849 0.0000 . 3 . . . . A 63 TYR HE1 . 30995 1 649 . 1 . 1 63 63 TYR HE2 H 1 6.5228 0.0000 . 3 . . . . A 63 TYR HE2 . 30995 1 650 . 1 . 1 63 63 TYR C C 13 174.8953 0.0000 . 1 . . . . A 63 TYR C . 30995 1 651 . 1 . 1 63 63 TYR CA C 13 56.0550 0.0000 . 1 . . . . A 63 TYR CA . 30995 1 652 . 1 . 1 63 63 TYR CB C 13 41.3496 0.0000 . 1 . . . . A 63 TYR CB . 30995 1 653 . 1 . 1 63 63 TYR CD1 C 13 132.7825 0.0000 . 3 . . . . A 63 TYR CD1 . 30995 1 654 . 1 . 1 63 63 TYR CD2 C 13 133.8738 0.0000 . 3 . . . . A 63 TYR CD2 . 30995 1 655 . 1 . 1 63 63 TYR CE1 C 13 117.1076 0.0000 . 3 . . . . A 63 TYR CE1 . 30995 1 656 . 1 . 1 63 63 TYR CE2 C 13 117.6810 0.0000 . 3 . . . . A 63 TYR CE2 . 30995 1 657 . 1 . 1 63 63 TYR N N 15 120.8602 0.0000 . 1 . . . . A 63 TYR N . 30995 1 658 . 1 . 1 64 64 VAL H H 1 8.4053 0.0000 . 1 . . . . A 64 VAL H . 30995 1 659 . 1 . 1 64 64 VAL HA H 1 4.5438 0.0000 . 1 . . . . A 64 VAL HA . 30995 1 660 . 1 . 1 64 64 VAL HB H 1 1.9039 0.0000 . 1 . . . . A 64 VAL HB . 30995 1 661 . 1 . 1 64 64 VAL HG11 H 1 0.7844 0.0000 . 2 . . . . A 64 VAL HG11 . 30995 1 662 . 1 . 1 64 64 VAL HG12 H 1 0.7844 0.0000 . 2 . . . . A 64 VAL HG12 . 30995 1 663 . 1 . 1 64 64 VAL HG13 H 1 0.7844 0.0000 . 2 . . . . A 64 VAL HG13 . 30995 1 664 . 1 . 1 64 64 VAL HG21 H 1 0.6558 0.0000 . 2 . . . . A 64 VAL HG21 . 30995 1 665 . 1 . 1 64 64 VAL HG22 H 1 0.6558 0.0000 . 2 . . . . A 64 VAL HG22 . 30995 1 666 . 1 . 1 64 64 VAL HG23 H 1 0.6558 0.0000 . 2 . . . . A 64 VAL HG23 . 30995 1 667 . 1 . 1 64 64 VAL C C 13 175.1377 0.0000 . 1 . . . . A 64 VAL C . 30995 1 668 . 1 . 1 64 64 VAL CA C 13 59.6354 0.0000 . 1 . . . . A 64 VAL CA . 30995 1 669 . 1 . 1 64 64 VAL CB C 13 35.7023 0.0000 . 1 . . . . A 64 VAL CB . 30995 1 670 . 1 . 1 64 64 VAL CG1 C 13 21.0598 0.0000 . 2 . . . . A 64 VAL CG1 . 30995 1 671 . 1 . 1 64 64 VAL CG2 C 13 19.5723 0.0000 . 2 . . . . A 64 VAL CG2 . 30995 1 672 . 1 . 1 64 64 VAL N N 15 116.2574 0.0000 . 1 . . . . A 64 VAL N . 30995 1 673 . 1 . 1 65 65 MET H H 1 8.8724 0.0000 . 1 . . . . A 65 MET H . 30995 1 674 . 1 . 1 65 65 MET HA H 1 4.5696 0.0000 . 1 . . . . A 65 MET HA . 30995 1 675 . 1 . 1 65 65 MET HB2 H 1 2.4326 0.0000 . 2 . . . . A 65 MET HB2 . 30995 1 676 . 1 . 1 65 65 MET HB3 H 1 1.7843 0.0000 . 2 . . . . A 65 MET HB3 . 30995 1 677 . 1 . 1 65 65 MET C C 13 176.3840 0.0000 . 1 . . . . A 65 MET C . 30995 1 678 . 1 . 1 65 65 MET CA C 13 54.9727 0.0000 . 1 . . . . A 65 MET CA . 30995 1 679 . 1 . 1 65 65 MET CB C 13 31.9420 0.0000 . 1 . . . . A 65 MET CB . 30995 1 680 . 1 . 1 65 65 MET N N 15 123.3107 0.0000 . 1 . . . . A 65 MET N . 30995 1 681 . 1 . 1 66 66 ASN H H 1 8.1791 0.0000 . 1 . . . . A 66 ASN H . 30995 1 682 . 1 . 1 66 66 ASN HA H 1 5.0385 0.0000 . 1 . . . . A 66 ASN HA . 30995 1 683 . 1 . 1 66 66 ASN HB2 H 1 2.7700 0.0000 . 2 . . . . A 66 ASN HB2 . 30995 1 684 . 1 . 1 66 66 ASN HB3 H 1 2.5322 0.0000 . 2 . . . . A 66 ASN HB3 . 30995 1 685 . 1 . 1 66 66 ASN HD21 H 1 7.5162 0.0000 . 2 . . . . A 66 ASN HD21 . 30995 1 686 . 1 . 1 66 66 ASN HD22 H 1 6.8379 0.0000 . 2 . . . . A 66 ASN HD22 . 30995 1 687 . 1 . 1 66 66 ASN C C 13 175.0778 0.0000 . 1 . . . . A 66 ASN C . 30995 1 688 . 1 . 1 66 66 ASN CA C 13 53.0405 0.0000 . 1 . . . . A 66 ASN CA . 30995 1 689 . 1 . 1 66 66 ASN CB C 13 38.8161 0.0000 . 1 . . . . A 66 ASN CB . 30995 1 690 . 1 . 1 66 66 ASN CG C 13 176.9629 0.0000 . 1 . . . . A 66 ASN CG . 30995 1 691 . 1 . 1 66 66 ASN N N 15 121.9620 0.0000 . 1 . . . . A 66 ASN N . 30995 1 692 . 1 . 1 66 66 ASN ND2 N 15 112.1353 0.0000 . 1 . . . . A 66 ASN ND2 . 30995 1 693 . 1 . 1 67 67 GLN H H 1 8.3561 0.0000 . 1 . . . . A 67 GLN H . 30995 1 694 . 1 . 1 67 67 GLN HA H 1 4.3382 0.0000 . 1 . . . . A 67 GLN HA . 30995 1 695 . 1 . 1 67 67 GLN HB2 H 1 1.8990 0.0000 . 2 . . . . A 67 GLN HB2 . 30995 1 696 . 1 . 1 67 67 GLN HG2 H 1 2.2326 0.0000 . 2 . . . . A 67 GLN HG2 . 30995 1 697 . 1 . 1 67 67 GLN HE21 H 1 7.4403 0.0000 . 2 . . . . A 67 GLN HE21 . 30995 1 698 . 1 . 1 67 67 GLN HE22 H 1 6.7963 0.0000 . 2 . . . . A 67 GLN HE22 . 30995 1 699 . 1 . 1 67 67 GLN C C 13 175.6696 0.0000 . 1 . . . . A 67 GLN C . 30995 1 700 . 1 . 1 67 67 GLN CA C 13 55.6871 0.0000 . 1 . . . . A 67 GLN CA . 30995 1 701 . 1 . 1 67 67 GLN CB C 13 29.3454 0.0000 . 1 . . . . A 67 GLN CB . 30995 1 702 . 1 . 1 67 67 GLN CG C 13 33.6094 0.0000 . 1 . . . . A 67 GLN CG . 30995 1 703 . 1 . 1 67 67 GLN CD C 13 180.3230 0.0000 . 1 . . . . A 67 GLN CD . 30995 1 704 . 1 . 1 67 67 GLN N N 15 121.0157 0.0000 . 1 . . . . A 67 GLN N . 30995 1 705 . 1 . 1 67 67 GLN NE2 N 15 112.0772 0.0000 . 1 . . . . A 67 GLN NE2 . 30995 1 706 . 1 . 1 68 68 VAL H H 1 8.1637 0.0000 . 1 . . . . A 68 VAL H . 30995 1 707 . 1 . 1 68 68 VAL HA H 1 4.0568 0.0000 . 1 . . . . A 68 VAL HA . 30995 1 708 . 1 . 1 68 68 VAL HB H 1 2.0131 0.0000 . 1 . . . . A 68 VAL HB . 30995 1 709 . 1 . 1 68 68 VAL HG11 H 1 0.8423 0.0000 . 2 . . . . A 68 VAL HG11 . 30995 1 710 . 1 . 1 68 68 VAL HG12 H 1 0.8423 0.0000 . 2 . . . . A 68 VAL HG12 . 30995 1 711 . 1 . 1 68 68 VAL HG13 H 1 0.8423 0.0000 . 2 . . . . A 68 VAL HG13 . 30995 1 712 . 1 . 1 68 68 VAL C C 13 176.7146 0.0000 . 1 . . . . A 68 VAL C . 30995 1 713 . 1 . 1 68 68 VAL CA C 13 62.5406 0.0000 . 1 . . . . A 68 VAL CA . 30995 1 714 . 1 . 1 68 68 VAL CB C 13 32.6283 0.0000 . 1 . . . . A 68 VAL CB . 30995 1 715 . 1 . 1 68 68 VAL CG1 C 13 20.3789 0.0000 . 2 . . . . A 68 VAL CG1 . 30995 1 716 . 1 . 1 68 68 VAL N N 15 121.1262 0.0000 . 1 . . . . A 68 VAL N . 30995 1 717 . 1 . 1 69 69 GLY H H 1 8.4478 0.0000 . 1 . . . . A 69 GLY H . 30995 1 718 . 1 . 1 69 69 GLY HA2 H 1 3.9130 0.0000 . 2 . . . . A 69 GLY HA2 . 30995 1 719 . 1 . 1 69 69 GLY C C 13 174.2052 0.0000 . 1 . . . . A 69 GLY C . 30995 1 720 . 1 . 1 69 69 GLY CA C 13 45.2996 0.0000 . 1 . . . . A 69 GLY CA . 30995 1 721 . 1 . 1 69 69 GLY N N 15 112.3467 0.0000 . 1 . . . . A 69 GLY N . 30995 1 722 . 1 . 1 70 70 SER H H 1 8.1016 0.0000 . 1 . . . . A 70 SER H . 30995 1 723 . 1 . 1 70 70 SER HA H 1 4.3863 0.0000 . 1 . . . . A 70 SER HA . 30995 1 724 . 1 . 1 70 70 SER HB2 H 1 3.7844 0.0000 . 2 . . . . A 70 SER HB2 . 30995 1 725 . 1 . 1 70 70 SER C C 13 174.4755 0.0000 . 1 . . . . A 70 SER C . 30995 1 726 . 1 . 1 70 70 SER CA C 13 58.3732 0.0000 . 1 . . . . A 70 SER CA . 30995 1 727 . 1 . 1 70 70 SER CB C 13 63.8355 0.0000 . 1 . . . . A 70 SER CB . 30995 1 728 . 1 . 1 70 70 SER N N 15 115.3500 0.0000 . 1 . . . . A 70 SER N . 30995 1 729 . 1 . 1 71 71 LEU H H 1 8.1985 0.0000 . 1 . . . . A 71 LEU H . 30995 1 730 . 1 . 1 71 71 LEU HA H 1 4.2934 0.0000 . 1 . . . . A 71 LEU HA . 30995 1 731 . 1 . 1 71 71 LEU HB2 H 1 1.4898 0.0000 . 2 . . . . A 71 LEU HB2 . 30995 1 732 . 1 . 1 71 71 LEU HG H 1 1.4655 0.0000 . 1 . . . . A 71 LEU HG . 30995 1 733 . 1 . 1 71 71 LEU C C 13 176.7914 0.0000 . 1 . . . . A 71 LEU C . 30995 1 734 . 1 . 1 71 71 LEU CA C 13 54.9845 0.0000 . 1 . . . . A 71 LEU CA . 30995 1 735 . 1 . 1 71 71 LEU CB C 13 42.1597 0.0000 . 1 . . . . A 71 LEU CB . 30995 1 736 . 1 . 1 71 71 LEU CG C 13 26.7265 0.0000 . 1 . . . . A 71 LEU CG . 30995 1 737 . 1 . 1 71 71 LEU N N 15 123.5854 0.0000 . 1 . . . . A 71 LEU N . 30995 1 738 . 1 . 1 72 72 ALA H H 1 8.0941 0.0000 . 1 . . . . A 72 ALA H . 30995 1 739 . 1 . 1 72 72 ALA HA H 1 4.2526 0.0000 . 1 . . . . A 72 ALA HA . 30995 1 740 . 1 . 1 72 72 ALA HB1 H 1 1.2549 0.0000 . 1 . . . . A 72 ALA HB1 . 30995 1 741 . 1 . 1 72 72 ALA HB2 H 1 1.2549 0.0000 . 1 . . . . A 72 ALA HB2 . 30995 1 742 . 1 . 1 72 72 ALA HB3 H 1 1.2549 0.0000 . 1 . . . . A 72 ALA HB3 . 30995 1 743 . 1 . 1 72 72 ALA C C 13 177.4246 0.0000 . 1 . . . . A 72 ALA C . 30995 1 744 . 1 . 1 72 72 ALA CA C 13 52.3534 0.0000 . 1 . . . . A 72 ALA CA . 30995 1 745 . 1 . 1 72 72 ALA CB C 13 19.1080 0.0000 . 1 . . . . A 72 ALA CB . 30995 1 746 . 1 . 1 72 72 ALA N N 15 124.6734 0.0000 . 1 . . . . A 72 ALA N . 30995 1 747 . 1 . 1 73 73 VAL H H 1 7.9330 0.0000 . 1 . . . . A 73 VAL H . 30995 1 748 . 1 . 1 73 73 VAL HA H 1 4.0567 0.0000 . 1 . . . . A 73 VAL HA . 30995 1 749 . 1 . 1 73 73 VAL HB H 1 1.9899 0.0000 . 1 . . . . A 73 VAL HB . 30995 1 750 . 1 . 1 73 73 VAL HG11 H 1 0.7929 0.0000 . 2 . . . . A 73 VAL HG11 . 30995 1 751 . 1 . 1 73 73 VAL HG12 H 1 0.7929 0.0000 . 2 . . . . A 73 VAL HG12 . 30995 1 752 . 1 . 1 73 73 VAL HG13 H 1 0.7929 0.0000 . 2 . . . . A 73 VAL HG13 . 30995 1 753 . 1 . 1 73 73 VAL C C 13 175.6262 0.0000 . 1 . . . . A 73 VAL C . 30995 1 754 . 1 . 1 73 73 VAL CA C 13 62.0378 0.0000 . 1 . . . . A 73 VAL CA . 30995 1 755 . 1 . 1 73 73 VAL CB C 13 32.8380 0.0000 . 1 . . . . A 73 VAL CB . 30995 1 756 . 1 . 1 73 73 VAL CG1 C 13 20.2860 0.0000 . 2 . . . . A 73 VAL CG1 . 30995 1 757 . 1 . 1 73 73 VAL N N 15 118.3923 0.0000 . 1 . . . . A 73 VAL N . 30995 1 758 . 1 . 1 74 74 ASN H H 1 8.3961 0.0000 . 1 . . . . A 74 ASN H . 30995 1 759 . 1 . 1 74 74 ASN HA H 1 4.8017 0.0000 . 1 . . . . A 74 ASN HA . 30995 1 760 . 1 . 1 74 74 ASN HB2 H 1 2.0419 0.0000 . 2 . . . . A 74 ASN HB2 . 30995 1 761 . 1 . 1 74 74 ASN HD21 H 1 7.5249 0.0000 . 2 . . . . A 74 ASN HD21 . 30995 1 762 . 1 . 1 74 74 ASN HD22 H 1 6.8348 0.0000 . 2 . . . . A 74 ASN HD22 . 30995 1 763 . 1 . 1 74 74 ASN C C 13 174.8574 0.0000 . 1 . . . . A 74 ASN C . 30995 1 764 . 1 . 1 74 74 ASN CA C 13 53.1346 0.0000 . 1 . . . . A 74 ASN CA . 30995 1 765 . 1 . 1 74 74 ASN CB C 13 38.8889 0.0000 . 1 . . . . A 74 ASN CB . 30995 1 766 . 1 . 1 74 74 ASN CG C 13 176.9734 0.0000 . 1 . . . . A 74 ASN CG . 30995 1 767 . 1 . 1 74 74 ASN N N 15 121.9723 0.0000 . 1 . . . . A 74 ASN N . 30995 1 768 . 1 . 1 74 74 ASN ND2 N 15 112.5535 0.0000 . 1 . . . . A 74 ASN ND2 . 30995 1 769 . 1 . 1 75 75 VAL H H 1 8.0389 0.0000 . 1 . . . . A 75 VAL H . 30995 1 770 . 1 . 1 75 75 VAL HA H 1 4.1991 0.0000 . 1 . . . . A 75 VAL HA . 30995 1 771 . 1 . 1 75 75 VAL HB H 1 2.0739 0.0000 . 1 . . . . A 75 VAL HB . 30995 1 772 . 1 . 1 75 75 VAL HG11 H 1 0.7975 0.0000 . 2 . . . . A 75 VAL HG11 . 30995 1 773 . 1 . 1 75 75 VAL HG12 H 1 0.7975 0.0000 . 2 . . . . A 75 VAL HG12 . 30995 1 774 . 1 . 1 75 75 VAL HG13 H 1 0.7975 0.0000 . 2 . . . . A 75 VAL HG13 . 30995 1 775 . 1 . 1 75 75 VAL C C 13 175.9166 0.0000 . 1 . . . . A 75 VAL C . 30995 1 776 . 1 . 1 75 75 VAL CA C 13 62.1662 0.0000 . 1 . . . . A 75 VAL CA . 30995 1 777 . 1 . 1 75 75 VAL CB C 13 32.7901 0.0000 . 1 . . . . A 75 VAL CB . 30995 1 778 . 1 . 1 75 75 VAL CG1 C 13 20.2886 0.0000 . 2 . . . . A 75 VAL CG1 . 30995 1 779 . 1 . 1 75 75 VAL N N 15 120.1973 0.0000 . 1 . . . . A 75 VAL N . 30995 1 780 . 1 . 1 76 76 THR H H 1 8.1808 0.0000 . 1 . . . . A 76 THR H . 30995 1 781 . 1 . 1 76 76 THR HA H 1 4.3475 0.0000 . 1 . . . . A 76 THR HA . 30995 1 782 . 1 . 1 76 76 THR HB H 1 4.1759 0.0000 . 1 . . . . A 76 THR HB . 30995 1 783 . 1 . 1 76 76 THR C C 13 173.5244 0.0000 . 1 . . . . A 76 THR C . 30995 1 784 . 1 . 1 76 76 THR CA C 13 61.7614 0.0000 . 1 . . . . A 76 THR CA . 30995 1 785 . 1 . 1 76 76 THR CB C 13 69.8598 0.0000 . 1 . . . . A 76 THR CB . 30995 1 786 . 1 . 1 76 76 THR N N 15 118.2328 0.0000 . 1 . . . . A 76 THR N . 30995 1 787 . 1 . 1 77 77 MET H H 1 7.9687 0.0000 . 1 . . . . A 77 MET H . 30995 1 788 . 1 . 1 77 77 MET HA H 1 4.3068 0.0000 . 1 . . . . A 77 MET HA . 30995 1 789 . 1 . 1 77 77 MET HB2 H 1 1.8181 0.0000 . 2 . . . . A 77 MET HB2 . 30995 1 790 . 1 . 1 77 77 MET C C 13 180.5942 0.0000 . 1 . . . . A 77 MET C . 30995 1 791 . 1 . 1 77 77 MET CA C 13 57.0858 0.0000 . 1 . . . . A 77 MET CA . 30995 1 792 . 1 . 1 77 77 MET CB C 13 33.8512 0.0000 . 1 . . . . A 77 MET CB . 30995 1 793 . 1 . 1 77 77 MET N N 15 128.1656 0.0000 . 1 . . . . A 77 MET N . 30995 1 stop_ save_